USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 66 ASN : amide:sc= -3.57! C(o=-5.8!,f=-8.4!) USER MOD Set 1.2: B 69 SER OG : rot -14:sc= -2.27 USER MOD Set 2.1: A 15 THR OG1 : rot -140:sc= 0.971 USER MOD Set 2.2: B 15 THR OG1 : rot 142:sc= 1.14 USER MOD Set 3.1: A 66 ASN : amide:sc= -3.59! C(o=-6.2!,f=-8.3!) USER MOD Set 3.2: A 69 SER OG : rot -76:sc= -2.58 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.349 (180deg=-2.36!) USER MOD Single : A 1 MET N :NH3+ -161:sc= -1.37 (180deg=-2.07!) USER MOD Single : A 5 THR OG1 : rot 57:sc= -1.25! USER MOD Single : A 7 THR OG1 : rot 180:sc= -3.08! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -34:sc= 1.2! USER MOD Single : A 22 THR OG1 : rot -121:sc= -0.447! USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00466 (180deg=-0.127) USER MOD Single : A 32 SER OG : rot 158:sc= 0.59 USER MOD Single : A 34 ASN : amide:sc= -2.16! C(o=-2.2!,f=-2.5!) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -89:sc= -2.8! USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -11.2! C(o=-11!,f=-19!) USER MOD Single : A 48 HIS : +bothHN:sc= -11! C(o=-11!,f=-19!) USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.406) USER MOD Single : A 55 SER OG : rot 180:sc=-0.000134 USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= -3.19 (180deg=-5.34!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 85:sc= 0.00916 USER MOD Single : A 67 GLN :FLIP amide:sc= -3.82! C(o=-5.3!,f=-3.8!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.157 USER MOD Single : A 76 TYR OH : rot 39:sc= -0.297 USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= -1.48! (180deg=-2.4!) USER MOD Single : A 89 LYS NZ :NH3+ -163:sc= 0.934 (180deg=0.684) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.044 (180deg=-0.357) USER MOD Single : A 97 LYS NZ :NH3+ 152:sc= 0.653 (180deg=0.0754) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -130:sc= -0.476 (180deg=-2.34!) USER MOD Single : B 1 MET N :NH3+ -163:sc= -0.683 (180deg=-1.21) USER MOD Single : B 5 THR OG1 : rot 19:sc= -0.794! USER MOD Single : B 7 THR OG1 : rot 180:sc= -3.18! USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot -34:sc= 1.17! USER MOD Single : B 22 THR OG1 : rot -68:sc= 0.32 USER MOD Single : B 30 LYS NZ :NH3+ -167:sc= -0.0305 (180deg=-0.222) USER MOD Single : B 32 SER OG : rot 159:sc= 0.521 USER MOD Single : B 34 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.6!) USER MOD Single : B 36 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot -85:sc= -1.6! USER MOD Single : B 44 GLN : amide:sc= 0.00263 X(o=0.0026,f=0) USER MOD Single : B 45 GLN : amide:sc= -12! C(o=-12!,f=-19!) USER MOD Single : B 48 HIS : +bothHN:sc= -10.7! C(o=-11!,f=-19!) USER MOD Single : B 51 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.212) USER MOD Single : B 55 SER OG : rot -89:sc= 0.13 USER MOD Single : B 59 LYS NZ :NH3+ -144:sc= -2.98 (180deg=-4.95!) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 88:sc= 0.0346 USER MOD Single : B 67 GLN :FLIP amide:sc= -3.19! C(o=-4.9!,f=-3.2!) USER MOD Single : B 74 SER OG : rot 180:sc= -0.185 USER MOD Single : B 76 TYR OH : rot 27:sc= -0.427 USER MOD Single : B 85 LYS NZ :NH3+ -178:sc= -1.46! (180deg=-1.47!) USER MOD Single : B 89 LYS NZ :NH3+ -160:sc= 0.929 (180deg=0.571) USER MOD Single : B 91 LYS NZ :NH3+ 164:sc= -0.0446 (180deg=-0.278) USER MOD Single : B 97 LYS NZ :NH3+ 154:sc= 0.54 (180deg=0.381) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.672 3.905 -2.810 1.00 0.64 N ATOM 2 CA MET A 1 -17.834 5.099 -3.097 1.00 0.59 C ATOM 3 C MET A 1 -16.578 4.720 -3.861 1.00 0.60 C ATOM 4 O MET A 1 -16.314 3.548 -4.125 1.00 0.61 O ATOM 5 CB MET A 1 -17.402 5.800 -1.804 1.00 0.57 C ATOM 6 CG MET A 1 -18.214 7.045 -1.453 1.00 0.61 C ATOM 7 SD MET A 1 -19.990 6.841 -1.709 1.00 0.96 S ATOM 8 CE MET A 1 -20.470 8.524 -2.091 1.00 1.17 C ATOM 0 H1 MET A 1 -19.642 4.207 -2.588 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.685 3.282 -3.643 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.276 3.390 -1.998 1.00 0.64 H new ATOM 0 HA MET A 1 -18.448 5.770 -3.698 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.475 5.090 -0.980 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.352 6.080 -1.891 1.00 0.57 H new ATOM 0 HG2 MET A 1 -18.033 7.306 -0.410 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.861 7.881 -2.057 1.00 0.61 H new ATOM 0 HE1 MET A 1 -21.374 8.779 -1.538 1.00 1.17 H new ATOM 0 HE2 MET A 1 -19.667 9.205 -1.808 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.661 8.614 -3.160 1.00 1.17 H new ATOM 20 N ALA A 2 -15.826 5.743 -4.233 1.00 0.62 N ATOM 21 CA ALA A 2 -14.570 5.560 -4.928 1.00 0.65 C ATOM 22 C ALA A 2 -13.418 6.038 -4.069 1.00 0.62 C ATOM 23 O ALA A 2 -13.616 6.796 -3.123 1.00 0.72 O ATOM 24 CB ALA A 2 -14.554 6.258 -6.279 1.00 0.73 C ATOM 0 H ALA A 2 -16.071 6.718 -4.061 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.455 4.493 -5.116 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.591 6.092 -6.763 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.349 5.855 -6.906 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.710 7.328 -6.138 1.00 0.73 H new ATOM 30 N ALA A 3 -12.217 5.590 -4.380 1.00 0.73 N ATOM 31 CA ALA A 3 -11.061 6.021 -3.626 1.00 0.76 C ATOM 32 C ALA A 3 -10.785 7.481 -3.915 1.00 0.66 C ATOM 33 O ALA A 3 -10.088 7.821 -4.871 1.00 0.81 O ATOM 34 CB ALA A 3 -9.852 5.169 -3.955 1.00 1.06 C ATOM 0 H ALA A 3 -12.020 4.937 -5.139 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.268 5.902 -2.562 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -8.996 5.513 -3.375 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.062 4.128 -3.709 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.627 5.252 -5.018 1.00 1.06 H new ATOM 40 N GLU A 4 -11.345 8.344 -3.081 1.00 0.63 N ATOM 41 CA GLU A 4 -11.169 9.771 -3.248 1.00 0.75 C ATOM 42 C GLU A 4 -9.711 10.138 -2.979 1.00 0.74 C ATOM 43 O GLU A 4 -8.852 9.876 -3.820 1.00 0.85 O ATOM 44 CB GLU A 4 -12.155 10.527 -2.335 1.00 0.97 C ATOM 45 CG GLU A 4 -11.974 12.048 -2.280 1.00 1.44 C ATOM 46 CD GLU A 4 -11.105 12.615 -3.388 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.326 12.256 -4.564 1.00 3.03 O ATOM 48 OE2 GLU A 4 -10.199 13.410 -3.074 1.00 3.20 O ATOM 0 H GLU A 4 -11.924 8.078 -2.284 1.00 0.63 H new ATOM 0 HA GLU A 4 -11.393 10.067 -4.273 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -13.170 10.312 -2.669 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -12.062 10.131 -1.324 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.955 12.521 -2.326 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -11.536 12.315 -1.318 1.00 1.44 H new ATOM 55 N THR A 5 -9.411 10.734 -1.833 1.00 0.69 N ATOM 56 CA THR A 5 -8.038 11.091 -1.541 1.00 0.74 C ATOM 57 C THR A 5 -7.261 9.927 -0.918 1.00 0.61 C ATOM 58 O THR A 5 -6.732 9.076 -1.631 1.00 0.78 O ATOM 59 CB THR A 5 -7.975 12.325 -0.631 1.00 0.93 C ATOM 60 OG1 THR A 5 -8.562 13.436 -1.309 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.539 12.651 -0.239 1.00 1.09 C ATOM 0 H THR A 5 -10.086 10.974 -1.107 1.00 0.69 H new ATOM 0 HA THR A 5 -7.562 11.332 -2.492 1.00 0.74 H new ATOM 0 HB THR A 5 -8.528 12.113 0.284 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.479 13.212 -1.571 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.528 13.530 0.406 1.00 1.09 H new ATOM 0 HG22 THR A 5 -6.106 11.805 0.294 1.00 1.09 H new ATOM 0 HG23 THR A 5 -5.954 12.852 -1.136 1.00 1.09 H new ATOM 69 N LEU A 6 -7.200 9.885 0.411 1.00 0.54 N ATOM 70 CA LEU A 6 -6.456 8.849 1.102 1.00 0.50 C ATOM 71 C LEU A 6 -7.384 7.843 1.740 1.00 0.49 C ATOM 72 O LEU A 6 -7.960 8.101 2.793 1.00 0.56 O ATOM 73 CB LEU A 6 -5.584 9.467 2.193 1.00 0.61 C ATOM 74 CG LEU A 6 -4.654 10.588 1.746 1.00 0.75 C ATOM 75 CD1 LEU A 6 -5.167 11.932 2.238 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.250 10.347 2.262 1.00 1.07 C ATOM 0 H LEU A 6 -7.658 10.558 1.025 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.834 8.343 0.364 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -6.236 9.853 2.977 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.981 8.677 2.640 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.630 10.600 0.656 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -4.491 12.722 1.910 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -6.162 12.113 1.830 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -5.217 11.926 3.327 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.598 11.157 1.934 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.264 10.311 3.351 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.877 9.400 1.872 1.00 1.07 H new ATOM 88 N THR A 7 -7.517 6.686 1.127 1.00 0.50 N ATOM 89 CA THR A 7 -8.381 5.675 1.685 1.00 0.54 C ATOM 90 C THR A 7 -7.951 5.342 3.102 1.00 0.48 C ATOM 91 O THR A 7 -6.850 5.679 3.521 1.00 0.54 O ATOM 92 CB THR A 7 -8.395 4.383 0.843 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.261 4.345 -0.030 1.00 0.85 O ATOM 94 CG2 THR A 7 -9.664 4.275 0.020 1.00 0.83 C ATOM 0 H THR A 7 -7.047 6.428 0.259 1.00 0.50 H new ATOM 0 HA THR A 7 -9.390 6.087 1.684 1.00 0.54 H new ATOM 0 HB THR A 7 -8.354 3.541 1.534 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.282 3.519 -0.557 1.00 0.85 H new ATOM 0 HG21 THR A 7 -9.643 3.354 -0.562 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.528 4.265 0.684 1.00 0.83 H new ATOM 0 HG23 THR A 7 -9.734 5.129 -0.654 1.00 0.83 H new ATOM 102 N GLU A 8 -8.825 4.684 3.842 1.00 0.45 N ATOM 103 CA GLU A 8 -8.515 4.288 5.217 1.00 0.44 C ATOM 104 C GLU A 8 -7.113 3.694 5.331 1.00 0.41 C ATOM 105 O GLU A 8 -6.507 3.712 6.403 1.00 0.42 O ATOM 106 CB GLU A 8 -9.514 3.255 5.733 1.00 0.50 C ATOM 107 CG GLU A 8 -10.966 3.569 5.421 1.00 0.52 C ATOM 108 CD GLU A 8 -11.370 4.961 5.862 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.201 5.908 5.065 1.00 1.94 O ATOM 110 OE2 GLU A 8 -11.856 5.106 7.004 1.00 1.67 O ATOM 0 H GLU A 8 -9.754 4.410 3.522 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.575 5.195 5.818 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.266 2.284 5.305 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.399 3.166 6.813 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.133 3.469 4.348 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.606 2.836 5.913 1.00 0.52 H new ATOM 117 N LEU A 9 -6.601 3.170 4.223 1.00 0.41 N ATOM 118 CA LEU A 9 -5.301 2.539 4.206 1.00 0.40 C ATOM 119 C LEU A 9 -4.187 3.533 4.523 1.00 0.38 C ATOM 120 O LEU A 9 -3.119 3.138 4.988 1.00 0.39 O ATOM 121 CB LEU A 9 -5.071 1.876 2.846 1.00 0.45 C ATOM 122 CG LEU A 9 -6.318 1.360 2.108 1.00 0.57 C ATOM 123 CD1 LEU A 9 -5.936 0.303 1.092 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.371 0.810 3.055 1.00 0.92 C ATOM 0 H LEU A 9 -7.077 3.174 3.321 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.278 1.777 4.985 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.566 2.593 2.199 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.388 1.038 2.987 1.00 0.45 H new ATOM 0 HG LEU A 9 -6.756 2.217 1.596 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.831 -0.050 0.580 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.246 0.730 0.364 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.455 -0.533 1.600 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.229 0.460 2.481 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.951 -0.020 3.623 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.689 1.595 3.741 1.00 0.92 H new ATOM 136 N GLU A 10 -4.430 4.821 4.281 1.00 0.38 N ATOM 137 CA GLU A 10 -3.431 5.843 4.587 1.00 0.39 C ATOM 138 C GLU A 10 -3.037 5.731 6.053 1.00 0.38 C ATOM 139 O GLU A 10 -1.930 6.087 6.445 1.00 0.40 O ATOM 140 CB GLU A 10 -3.968 7.233 4.282 1.00 0.46 C ATOM 141 CG GLU A 10 -5.380 7.465 4.772 1.00 0.45 C ATOM 142 CD GLU A 10 -5.490 8.641 5.722 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.261 8.449 6.935 1.00 1.27 O ATOM 144 OE2 GLU A 10 -5.807 9.754 5.254 1.00 1.16 O ATOM 0 H GLU A 10 -5.297 5.178 3.880 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.552 5.684 3.962 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.310 7.974 4.736 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.936 7.396 3.205 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -6.033 7.634 3.916 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.738 6.565 5.273 1.00 0.45 H new ATOM 151 N ALA A 11 -3.969 5.248 6.868 1.00 0.39 N ATOM 152 CA ALA A 11 -3.694 5.039 8.280 1.00 0.39 C ATOM 153 C ALA A 11 -2.613 3.985 8.411 1.00 0.36 C ATOM 154 O ALA A 11 -1.806 4.007 9.340 1.00 0.39 O ATOM 155 CB ALA A 11 -4.952 4.610 9.022 1.00 0.42 C ATOM 0 H ALA A 11 -4.913 4.996 6.576 1.00 0.39 H new ATOM 0 HA ALA A 11 -3.355 5.974 8.726 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.719 4.460 10.076 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.713 5.384 8.925 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -5.325 3.678 8.597 1.00 0.42 H new ATOM 161 N ALA A 12 -2.612 3.056 7.460 1.00 0.33 N ATOM 162 CA ALA A 12 -1.619 2.002 7.430 1.00 0.33 C ATOM 163 C ALA A 12 -0.275 2.572 7.009 1.00 0.33 C ATOM 164 O ALA A 12 0.775 2.030 7.356 1.00 0.34 O ATOM 165 CB ALA A 12 -2.050 0.885 6.492 1.00 0.34 C ATOM 0 H ALA A 12 -3.292 3.017 6.701 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.522 1.580 8.430 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.290 0.103 6.484 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.997 0.467 6.834 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.172 1.283 5.485 1.00 0.34 H new ATOM 171 N ILE A 13 -0.307 3.673 6.254 1.00 0.36 N ATOM 172 CA ILE A 13 0.924 4.314 5.824 1.00 0.40 C ATOM 173 C ILE A 13 1.740 4.740 7.055 1.00 0.39 C ATOM 174 O ILE A 13 2.936 5.017 6.954 1.00 0.42 O ATOM 175 CB ILE A 13 0.669 5.522 4.872 1.00 0.47 C ATOM 176 CG1 ILE A 13 0.383 5.024 3.450 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.852 6.490 4.844 1.00 0.99 C ATOM 178 CD1 ILE A 13 -0.592 3.869 3.384 1.00 2.05 C ATOM 0 H ILE A 13 -1.162 4.129 5.935 1.00 0.36 H new ATOM 0 HA ILE A 13 1.495 3.587 5.246 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.197 6.060 5.258 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -0.010 5.851 2.859 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.322 4.720 2.987 1.00 0.90 H new ATOM 0 HG21 ILE A 13 1.630 7.316 4.168 1.00 0.99 H new ATOM 0 HG22 ILE A 13 2.028 6.879 5.847 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.743 5.966 4.497 1.00 0.99 H new ATOM 0 HD11 ILE A 13 -0.740 3.577 2.344 1.00 2.05 H new ATOM 0 HD12 ILE A 13 -0.193 3.024 3.945 1.00 2.05 H new ATOM 0 HD13 ILE A 13 -1.546 4.173 3.815 1.00 2.05 H new ATOM 190 N GLU A 14 1.079 4.806 8.214 1.00 0.39 N ATOM 191 CA GLU A 14 1.744 5.176 9.456 1.00 0.42 C ATOM 192 C GLU A 14 2.689 4.069 9.908 1.00 0.38 C ATOM 193 O GLU A 14 3.732 4.338 10.506 1.00 0.46 O ATOM 194 CB GLU A 14 0.711 5.459 10.549 1.00 0.46 C ATOM 195 CG GLU A 14 -0.270 6.561 10.186 1.00 0.79 C ATOM 196 CD GLU A 14 0.416 7.882 9.900 1.00 1.46 C ATOM 197 OE1 GLU A 14 0.887 8.072 8.759 1.00 2.25 O ATOM 198 OE2 GLU A 14 0.484 8.728 10.817 1.00 2.02 O ATOM 0 H GLU A 14 0.084 4.607 8.313 1.00 0.39 H new ATOM 0 HA GLU A 14 2.325 6.080 9.276 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.156 4.544 10.759 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.231 5.734 11.467 1.00 0.46 H new ATOM 0 HG2 GLU A 14 -0.844 6.257 9.311 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.980 6.694 11.003 1.00 0.79 H new ATOM 205 N THR A 15 2.322 2.821 9.629 1.00 0.30 N ATOM 206 CA THR A 15 3.165 1.686 10.003 1.00 0.28 C ATOM 207 C THR A 15 4.346 1.556 9.049 1.00 0.29 C ATOM 208 O THR A 15 5.503 1.489 9.465 1.00 0.35 O ATOM 209 CB THR A 15 2.383 0.357 9.977 1.00 0.28 C ATOM 210 OG1 THR A 15 1.251 0.421 10.850 1.00 0.29 O ATOM 211 CG2 THR A 15 3.275 -0.805 10.389 1.00 0.32 C ATOM 0 H THR A 15 1.457 2.570 9.151 1.00 0.30 H new ATOM 0 HA THR A 15 3.513 1.879 11.018 1.00 0.28 H new ATOM 0 HB THR A 15 2.039 0.194 8.956 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.152 -0.433 11.320 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.701 -1.731 10.363 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.116 -0.880 9.700 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.647 -0.637 11.400 1.00 0.32 H new ATOM 219 N VAL A 16 4.026 1.523 7.765 1.00 0.27 N ATOM 220 CA VAL A 16 5.013 1.383 6.704 1.00 0.28 C ATOM 221 C VAL A 16 6.093 2.467 6.749 1.00 0.30 C ATOM 222 O VAL A 16 7.266 2.194 6.494 1.00 0.36 O ATOM 223 CB VAL A 16 4.317 1.429 5.336 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.729 2.801 5.093 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.280 1.056 4.233 1.00 0.33 C ATOM 0 H VAL A 16 3.066 1.593 7.426 1.00 0.27 H new ATOM 0 HA VAL A 16 5.504 0.422 6.857 1.00 0.28 H new ATOM 0 HB VAL A 16 3.506 0.701 5.336 1.00 0.30 H new ATOM 0 HG11 VAL A 16 3.239 2.820 4.120 1.00 0.33 H new ATOM 0 HG12 VAL A 16 3.000 3.027 5.871 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.524 3.546 5.113 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.766 1.095 3.273 1.00 0.33 H new ATOM 0 HG22 VAL A 16 6.115 1.757 4.227 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.655 0.047 4.403 1.00 0.33 H new ATOM 235 N VAL A 17 5.696 3.690 7.073 1.00 0.31 N ATOM 236 CA VAL A 17 6.633 4.810 7.119 1.00 0.33 C ATOM 237 C VAL A 17 7.783 4.568 8.089 1.00 0.30 C ATOM 238 O VAL A 17 8.920 4.951 7.816 1.00 0.32 O ATOM 239 CB VAL A 17 5.923 6.128 7.487 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.199 5.996 8.815 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.911 7.285 7.521 1.00 0.50 C ATOM 0 H VAL A 17 4.734 3.934 7.308 1.00 0.31 H new ATOM 0 HA VAL A 17 7.047 4.894 6.114 1.00 0.33 H new ATOM 0 HB VAL A 17 5.182 6.341 6.716 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.705 6.937 9.055 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.455 5.203 8.746 1.00 0.45 H new ATOM 0 HG13 VAL A 17 5.917 5.753 9.598 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.386 8.204 7.783 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.682 7.083 8.264 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.373 7.398 6.540 1.00 0.50 H new ATOM 251 N SER A 18 7.493 3.937 9.214 1.00 0.33 N ATOM 252 CA SER A 18 8.520 3.675 10.212 1.00 0.40 C ATOM 253 C SER A 18 9.365 2.450 9.859 1.00 0.44 C ATOM 254 O SER A 18 10.461 2.269 10.386 1.00 0.59 O ATOM 255 CB SER A 18 7.881 3.486 11.589 1.00 0.51 C ATOM 256 OG SER A 18 7.188 4.653 11.995 1.00 1.32 O ATOM 0 H SER A 18 6.563 3.598 9.460 1.00 0.33 H new ATOM 0 HA SER A 18 9.183 4.540 10.231 1.00 0.40 H new ATOM 0 HB2 SER A 18 7.192 2.642 11.561 1.00 0.51 H new ATOM 0 HB3 SER A 18 8.652 3.244 12.321 1.00 0.51 H new ATOM 0 HG SER A 18 6.787 4.505 12.877 1.00 1.32 H new ATOM 262 N THR A 19 8.844 1.592 8.994 1.00 0.37 N ATOM 263 CA THR A 19 9.560 0.381 8.607 1.00 0.44 C ATOM 264 C THR A 19 10.582 0.587 7.486 1.00 0.46 C ATOM 265 O THR A 19 11.780 0.711 7.731 1.00 0.54 O ATOM 266 CB THR A 19 8.585 -0.735 8.189 1.00 0.45 C ATOM 267 OG1 THR A 19 7.850 -0.336 7.028 1.00 0.42 O ATOM 268 CG2 THR A 19 7.619 -1.064 9.318 1.00 0.49 C ATOM 0 H THR A 19 7.934 1.709 8.548 1.00 0.37 H new ATOM 0 HA THR A 19 10.112 0.091 9.501 1.00 0.44 H new ATOM 0 HB THR A 19 9.168 -1.627 7.960 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.690 0.630 7.058 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.941 -1.855 8.998 1.00 0.49 H new ATOM 0 HG22 THR A 19 8.180 -1.398 10.191 1.00 0.49 H new ATOM 0 HG23 THR A 19 7.043 -0.175 9.575 1.00 0.49 H new ATOM 276 N PHE A 20 10.090 0.585 6.256 1.00 0.45 N ATOM 277 CA PHE A 20 10.927 0.698 5.065 1.00 0.54 C ATOM 278 C PHE A 20 11.254 2.125 4.706 1.00 0.52 C ATOM 279 O PHE A 20 12.308 2.408 4.140 1.00 0.64 O ATOM 280 CB PHE A 20 10.239 -0.014 3.903 1.00 0.60 C ATOM 281 CG PHE A 20 10.874 0.196 2.559 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.242 0.362 2.433 1.00 1.26 C ATOM 283 CD2 PHE A 20 10.090 0.235 1.420 1.00 1.60 C ATOM 284 CE1 PHE A 20 12.818 0.573 1.195 1.00 1.37 C ATOM 285 CE2 PHE A 20 10.654 0.439 0.184 1.00 1.77 C ATOM 286 CZ PHE A 20 12.018 0.613 0.067 1.00 1.18 C ATOM 0 H PHE A 20 9.094 0.505 6.052 1.00 0.45 H new ATOM 0 HA PHE A 20 11.883 0.221 5.282 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.218 -1.083 4.114 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.203 0.322 3.854 1.00 0.60 H new ATOM 0 HD1 PHE A 20 12.867 0.326 3.313 1.00 1.26 H new ATOM 0 HD2 PHE A 20 9.021 0.103 1.503 1.00 1.60 H new ATOM 0 HE1 PHE A 20 13.886 0.706 1.108 1.00 1.37 H new ATOM 0 HE2 PHE A 20 10.029 0.463 -0.697 1.00 1.77 H new ATOM 0 HZ PHE A 20 12.460 0.780 -0.904 1.00 1.18 H new ATOM 296 N PHE A 21 10.362 3.027 5.019 1.00 0.44 N ATOM 297 CA PHE A 21 10.596 4.409 4.685 1.00 0.47 C ATOM 298 C PHE A 21 11.555 5.033 5.659 1.00 0.49 C ATOM 299 O PHE A 21 11.982 6.173 5.487 1.00 0.62 O ATOM 300 CB PHE A 21 9.264 5.140 4.563 1.00 0.48 C ATOM 301 CG PHE A 21 8.265 4.360 3.728 1.00 0.45 C ATOM 302 CD1 PHE A 21 8.676 3.277 2.941 1.00 1.16 C ATOM 303 CD2 PHE A 21 6.916 4.680 3.755 1.00 1.39 C ATOM 304 CE1 PHE A 21 7.754 2.552 2.212 1.00 1.13 C ATOM 305 CE2 PHE A 21 5.996 3.947 3.027 1.00 1.44 C ATOM 306 CZ PHE A 21 6.415 2.886 2.257 1.00 0.54 C ATOM 0 H PHE A 21 9.481 2.836 5.496 1.00 0.44 H new ATOM 0 HA PHE A 21 11.080 4.487 3.712 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.851 5.311 5.557 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.427 6.119 4.113 1.00 0.48 H new ATOM 0 HD1 PHE A 21 9.721 3.007 2.904 1.00 1.16 H new ATOM 0 HD2 PHE A 21 6.579 5.514 4.353 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.081 1.721 1.605 1.00 1.13 H new ATOM 0 HE2 PHE A 21 4.948 4.207 3.063 1.00 1.44 H new ATOM 0 HZ PHE A 21 5.696 2.315 1.688 1.00 0.54 H new ATOM 316 N THR A 22 11.896 4.280 6.691 1.00 0.47 N ATOM 317 CA THR A 22 12.900 4.737 7.607 1.00 0.54 C ATOM 318 C THR A 22 14.274 4.462 7.015 1.00 0.49 C ATOM 319 O THR A 22 15.293 4.787 7.626 1.00 0.54 O ATOM 320 CB THR A 22 12.795 4.054 8.963 1.00 0.66 C ATOM 321 OG1 THR A 22 12.687 2.650 8.786 1.00 0.66 O ATOM 322 CG2 THR A 22 11.597 4.580 9.723 1.00 0.81 C ATOM 0 H THR A 22 11.495 3.367 6.905 1.00 0.47 H new ATOM 0 HA THR A 22 12.749 5.805 7.761 1.00 0.54 H new ATOM 0 HB THR A 22 13.694 4.271 9.541 1.00 0.66 H new ATOM 0 HG1 THR A 22 11.853 2.332 9.192 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.533 4.083 10.691 1.00 0.81 H new ATOM 0 HG22 THR A 22 11.704 5.654 9.873 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.689 4.382 9.153 1.00 0.81 H new ATOM 330 N PHE A 23 14.312 3.856 5.812 1.00 0.49 N ATOM 331 CA PHE A 23 15.591 3.560 5.186 1.00 0.51 C ATOM 332 C PHE A 23 16.345 4.853 4.919 1.00 0.44 C ATOM 333 O PHE A 23 17.559 4.925 5.099 1.00 0.45 O ATOM 334 CB PHE A 23 15.378 2.760 3.900 1.00 0.68 C ATOM 335 CG PHE A 23 15.111 1.314 4.157 1.00 0.61 C ATOM 336 CD1 PHE A 23 14.253 0.922 5.166 1.00 1.46 C ATOM 337 CD2 PHE A 23 15.768 0.346 3.422 1.00 1.47 C ATOM 338 CE1 PHE A 23 14.057 -0.414 5.439 1.00 1.93 C ATOM 339 CE2 PHE A 23 15.568 -0.991 3.684 1.00 1.88 C ATOM 340 CZ PHE A 23 14.714 -1.373 4.698 1.00 1.82 C ATOM 0 H PHE A 23 13.491 3.573 5.277 1.00 0.49 H new ATOM 0 HA PHE A 23 16.192 2.950 5.860 1.00 0.51 H new ATOM 0 HB2 PHE A 23 14.542 3.187 3.346 1.00 0.68 H new ATOM 0 HB3 PHE A 23 16.261 2.855 3.268 1.00 0.68 H new ATOM 0 HD1 PHE A 23 13.731 1.669 5.746 1.00 1.46 H new ATOM 0 HD2 PHE A 23 16.445 0.641 2.634 1.00 1.47 H new ATOM 0 HE1 PHE A 23 13.388 -0.710 6.234 1.00 1.93 H new ATOM 0 HE2 PHE A 23 16.079 -1.740 3.097 1.00 1.88 H new ATOM 0 HZ PHE A 23 14.561 -2.421 4.911 1.00 1.82 H new ATOM 350 N ALA A 24 15.610 5.904 4.575 1.00 0.50 N ATOM 351 CA ALA A 24 16.218 7.216 4.341 1.00 0.58 C ATOM 352 C ALA A 24 17.150 7.559 5.491 1.00 0.60 C ATOM 353 O ALA A 24 18.114 8.308 5.332 1.00 0.65 O ATOM 354 CB ALA A 24 15.149 8.255 4.210 1.00 0.71 C ATOM 0 H ALA A 24 14.598 5.878 4.452 1.00 0.50 H new ATOM 0 HA ALA A 24 16.794 7.189 3.416 1.00 0.58 H new ATOM 0 HB1 ALA A 24 15.607 9.229 4.036 1.00 0.71 H new ATOM 0 HB2 ALA A 24 14.499 8.005 3.371 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.561 8.289 5.127 1.00 0.71 H new ATOM 360 N GLY A 25 16.841 6.995 6.657 1.00 0.68 N ATOM 361 CA GLY A 25 17.661 7.219 7.834 1.00 0.81 C ATOM 362 C GLY A 25 19.144 7.057 7.548 1.00 0.71 C ATOM 363 O GLY A 25 19.962 7.835 8.037 1.00 0.80 O ATOM 0 H GLY A 25 16.036 6.386 6.806 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.475 8.223 8.217 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.367 6.520 8.617 1.00 0.81 H new ATOM 367 N ARG A 26 19.494 6.044 6.754 1.00 0.60 N ATOM 368 CA ARG A 26 20.891 5.803 6.408 1.00 0.59 C ATOM 369 C ARG A 26 21.517 7.064 5.822 1.00 0.57 C ATOM 370 O ARG A 26 22.682 7.367 6.077 1.00 0.71 O ATOM 371 CB ARG A 26 21.019 4.643 5.415 1.00 0.61 C ATOM 372 CG ARG A 26 22.428 4.473 4.863 1.00 1.17 C ATOM 373 CD ARG A 26 22.665 3.068 4.331 1.00 0.97 C ATOM 374 NE ARG A 26 22.697 2.076 5.405 1.00 1.55 N ATOM 375 CZ ARG A 26 23.321 0.904 5.316 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.965 0.570 4.206 1.00 2.01 N ATOM 377 NH2 ARG A 26 23.308 0.065 6.343 1.00 2.82 N ATOM 0 H ARG A 26 18.834 5.384 6.343 1.00 0.60 H new ATOM 0 HA ARG A 26 21.423 5.533 7.321 1.00 0.59 H new ATOM 0 HB2 ARG A 26 20.715 3.719 5.906 1.00 0.61 H new ATOM 0 HB3 ARG A 26 20.329 4.806 4.587 1.00 0.61 H new ATOM 0 HG2 ARG A 26 22.594 5.196 4.064 1.00 1.17 H new ATOM 0 HG3 ARG A 26 23.153 4.691 5.647 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.878 2.811 3.622 1.00 0.97 H new ATOM 0 HD3 ARG A 26 23.607 3.041 3.784 1.00 0.97 H new ATOM 0 HE ARG A 26 22.212 2.296 6.275 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.984 1.213 3.414 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.441 -0.330 4.144 1.00 2.01 H new ATOM 0 HH21 ARG A 26 22.819 0.318 7.202 1.00 2.82 H new ATOM 0 HH22 ARG A 26 23.787 -0.833 6.274 1.00 2.82 H new ATOM 391 N GLU A 27 20.732 7.796 5.040 1.00 0.50 N ATOM 392 CA GLU A 27 21.207 9.027 4.426 1.00 0.58 C ATOM 393 C GLU A 27 20.977 10.210 5.360 1.00 0.80 C ATOM 394 O GLU A 27 19.878 10.405 5.878 1.00 1.27 O ATOM 395 CB GLU A 27 20.504 9.264 3.088 1.00 0.98 C ATOM 396 CG GLU A 27 20.882 8.255 2.015 1.00 0.85 C ATOM 397 CD GLU A 27 22.353 8.318 1.648 1.00 1.09 C ATOM 398 OE1 GLU A 27 23.154 7.601 2.283 1.00 1.78 O ATOM 399 OE2 GLU A 27 22.703 9.083 0.725 1.00 1.63 O ATOM 0 H GLU A 27 19.766 7.558 4.817 1.00 0.50 H new ATOM 0 HA GLU A 27 22.277 8.930 4.243 1.00 0.58 H new ATOM 0 HB2 GLU A 27 19.426 9.231 3.243 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.744 10.266 2.733 1.00 0.98 H new ATOM 0 HG2 GLU A 27 20.641 7.251 2.364 1.00 0.85 H new ATOM 0 HG3 GLU A 27 20.281 8.435 1.124 1.00 0.85 H new ATOM 406 N GLY A 28 22.027 10.998 5.568 1.00 1.33 N ATOM 407 CA GLY A 28 21.946 12.147 6.453 1.00 1.88 C ATOM 408 C GLY A 28 20.683 12.963 6.280 1.00 1.36 C ATOM 409 O GLY A 28 19.795 12.931 7.132 1.00 1.58 O ATOM 0 H GLY A 28 22.940 10.860 5.135 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.007 11.804 7.486 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.809 12.789 6.279 1.00 1.88 H new ATOM 413 N ARG A 29 20.600 13.696 5.175 1.00 1.16 N ATOM 414 CA ARG A 29 19.446 14.549 4.900 1.00 1.06 C ATOM 415 C ARG A 29 18.132 13.851 5.245 1.00 1.13 C ATOM 416 O ARG A 29 18.090 12.635 5.429 1.00 1.73 O ATOM 417 CB ARG A 29 19.442 14.981 3.431 1.00 1.38 C ATOM 418 CG ARG A 29 18.605 16.223 3.158 1.00 1.78 C ATOM 419 CD ARG A 29 17.283 15.879 2.490 1.00 2.37 C ATOM 420 NE ARG A 29 16.532 17.074 2.112 1.00 2.89 N ATOM 421 CZ ARG A 29 16.702 17.725 0.964 1.00 3.59 C ATOM 422 NH1 ARG A 29 17.608 17.315 0.087 1.00 3.91 N ATOM 423 NH2 ARG A 29 15.965 18.795 0.694 1.00 4.31 N ATOM 0 H ARG A 29 21.320 13.717 4.452 1.00 1.16 H new ATOM 0 HA ARG A 29 19.531 15.431 5.534 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.468 15.169 3.114 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.066 14.159 2.821 1.00 1.38 H new ATOM 0 HG2 ARG A 29 18.413 16.745 4.095 1.00 1.78 H new ATOM 0 HG3 ARG A 29 19.167 16.907 2.521 1.00 1.78 H new ATOM 0 HD2 ARG A 29 17.472 15.274 1.603 1.00 2.37 H new ATOM 0 HD3 ARG A 29 16.682 15.272 3.167 1.00 2.37 H new ATOM 0 HE ARG A 29 15.836 17.430 2.767 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.180 16.495 0.290 1.00 3.91 H new ATOM 0 HH12 ARG A 29 17.733 17.819 -0.791 1.00 3.91 H new ATOM 0 HH21 ARG A 29 15.269 19.118 1.366 1.00 4.31 H new ATOM 0 HH22 ARG A 29 16.095 19.295 -0.186 1.00 4.31 H new ATOM 437 N LYS A 30 17.061 14.634 5.327 1.00 1.04 N ATOM 438 CA LYS A 30 15.746 14.099 5.650 1.00 1.47 C ATOM 439 C LYS A 30 14.931 13.901 4.381 1.00 1.32 C ATOM 440 O LYS A 30 13.752 14.249 4.321 1.00 1.64 O ATOM 441 CB LYS A 30 15.008 15.044 6.599 1.00 2.03 C ATOM 442 CG LYS A 30 13.924 14.363 7.417 1.00 2.65 C ATOM 443 CD LYS A 30 13.231 15.343 8.350 1.00 3.51 C ATOM 444 CE LYS A 30 14.210 15.968 9.333 1.00 4.01 C ATOM 445 NZ LYS A 30 14.837 14.949 10.219 1.00 4.77 N ATOM 0 H LYS A 30 17.080 15.642 5.174 1.00 1.04 H new ATOM 0 HA LYS A 30 15.876 13.135 6.141 1.00 1.47 H new ATOM 0 HB2 LYS A 30 15.729 15.501 7.277 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.560 15.851 6.019 1.00 2.03 H new ATOM 0 HG2 LYS A 30 13.190 13.915 6.748 1.00 2.65 H new ATOM 0 HG3 LYS A 30 14.362 13.552 7.999 1.00 2.65 H new ATOM 0 HD2 LYS A 30 12.752 16.127 7.764 1.00 3.51 H new ATOM 0 HD3 LYS A 30 12.442 14.828 8.899 1.00 3.51 H new ATOM 0 HE2 LYS A 30 14.988 16.498 8.783 1.00 4.01 H new ATOM 0 HE3 LYS A 30 13.690 16.707 9.942 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 15.363 15.426 10.979 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 14.097 14.348 10.635 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 15.490 14.360 9.663 1.00 4.77 H new ATOM 459 N GLY A 31 15.572 13.328 3.372 1.00 0.95 N ATOM 460 CA GLY A 31 14.911 13.084 2.112 1.00 0.88 C ATOM 461 C GLY A 31 14.461 11.673 1.990 1.00 0.80 C ATOM 462 O GLY A 31 13.356 11.345 2.385 1.00 0.85 O ATOM 0 H GLY A 31 16.546 13.027 3.408 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.053 13.749 2.017 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.590 13.321 1.293 1.00 0.88 H new ATOM 466 N SER A 32 15.249 10.870 1.323 1.00 0.74 N ATOM 467 CA SER A 32 14.911 9.482 1.152 1.00 0.71 C ATOM 468 C SER A 32 16.142 8.625 1.083 1.00 0.70 C ATOM 469 O SER A 32 17.239 9.112 0.809 1.00 0.74 O ATOM 470 CB SER A 32 14.127 9.302 -0.136 1.00 0.68 C ATOM 471 OG SER A 32 14.996 9.247 -1.254 1.00 1.10 O ATOM 0 H SER A 32 16.128 11.153 0.890 1.00 0.74 H new ATOM 0 HA SER A 32 14.314 9.177 2.011 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.538 8.386 -0.083 1.00 0.68 H new ATOM 0 HB3 SER A 32 13.424 10.126 -0.257 1.00 0.68 H new ATOM 0 HG SER A 32 14.547 8.789 -1.995 1.00 1.10 H new ATOM 477 N LEU A 33 15.967 7.347 1.331 1.00 0.72 N ATOM 478 CA LEU A 33 17.079 6.429 1.138 1.00 0.74 C ATOM 479 C LEU A 33 16.871 5.824 -0.215 1.00 0.56 C ATOM 480 O LEU A 33 15.773 5.862 -0.752 1.00 0.52 O ATOM 481 CB LEU A 33 17.303 5.318 2.185 1.00 0.99 C ATOM 482 CG LEU A 33 18.420 4.357 1.810 1.00 1.19 C ATOM 483 CD1 LEU A 33 19.742 5.111 1.725 1.00 1.93 C ATOM 484 CD2 LEU A 33 18.542 3.243 2.799 1.00 1.69 C ATOM 0 H LEU A 33 15.098 6.924 1.656 1.00 0.72 H new ATOM 0 HA LEU A 33 17.988 7.020 1.249 1.00 0.74 H new ATOM 0 HB2 LEU A 33 17.534 5.776 3.147 1.00 0.99 H new ATOM 0 HB3 LEU A 33 16.377 4.757 2.313 1.00 0.99 H new ATOM 0 HG LEU A 33 18.176 3.923 0.840 1.00 1.19 H new ATOM 0 HD11 LEU A 33 20.539 4.418 1.456 1.00 1.93 H new ATOM 0 HD12 LEU A 33 19.668 5.891 0.967 1.00 1.93 H new ATOM 0 HD13 LEU A 33 19.965 5.564 2.691 1.00 1.93 H new ATOM 0 HD21 LEU A 33 19.350 2.576 2.498 1.00 1.69 H new ATOM 0 HD22 LEU A 33 18.758 3.654 3.785 1.00 1.69 H new ATOM 0 HD23 LEU A 33 17.606 2.685 2.836 1.00 1.69 H new ATOM 496 N ASN A 34 17.923 5.348 -0.795 1.00 0.57 N ATOM 497 CA ASN A 34 17.858 4.798 -2.100 1.00 0.47 C ATOM 498 C ASN A 34 17.747 3.275 -2.038 1.00 0.41 C ATOM 499 O ASN A 34 16.662 2.733 -1.850 1.00 0.56 O ATOM 500 CB ASN A 34 19.107 5.258 -2.833 1.00 0.56 C ATOM 501 CG ASN A 34 18.905 6.557 -3.593 1.00 1.37 C ATOM 502 OD1 ASN A 34 18.107 7.405 -3.193 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.627 6.718 -4.695 1.00 2.11 N ATOM 0 H ASN A 34 18.851 5.331 -0.373 1.00 0.57 H new ATOM 0 HA ASN A 34 16.971 5.139 -2.634 1.00 0.47 H new ATOM 0 HB2 ASN A 34 19.917 5.386 -2.115 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.419 4.481 -3.530 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.532 7.571 -5.247 1.00 2.11 H new ATOM 0 HD22 ASN A 34 20.277 5.989 -4.990 1.00 2.11 H new ATOM 510 N ILE A 35 18.856 2.576 -2.149 1.00 0.54 N ATOM 511 CA ILE A 35 18.804 1.133 -2.107 1.00 0.54 C ATOM 512 C ILE A 35 19.962 0.520 -1.343 1.00 0.56 C ATOM 513 O ILE A 35 20.392 -0.591 -1.637 1.00 0.63 O ATOM 514 CB ILE A 35 18.715 0.498 -3.507 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.391 1.386 -4.555 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.263 0.238 -3.881 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.738 1.912 -4.118 1.00 1.05 C ATOM 0 H ILE A 35 19.787 2.975 -2.267 1.00 0.54 H new ATOM 0 HA ILE A 35 17.884 0.907 -1.568 1.00 0.54 H new ATOM 0 HB ILE A 35 19.243 -0.455 -3.482 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.513 0.818 -5.477 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.737 2.228 -4.783 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.218 -0.211 -4.873 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.816 -0.441 -3.155 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.714 1.179 -3.883 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.160 2.533 -4.908 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.620 2.507 -3.213 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.408 1.076 -3.918 1.00 1.05 H new ATOM 529 N ASN A 36 20.468 1.249 -0.375 1.00 0.59 N ATOM 530 CA ASN A 36 21.550 0.758 0.454 1.00 0.63 C ATOM 531 C ASN A 36 20.948 -0.146 1.493 1.00 0.59 C ATOM 532 O ASN A 36 21.242 -1.340 1.557 1.00 0.59 O ATOM 533 CB ASN A 36 22.278 1.918 1.118 1.00 0.70 C ATOM 534 CG ASN A 36 22.937 2.843 0.112 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.332 3.812 -0.347 1.00 2.15 O ATOM 536 ND2 ASN A 36 24.183 2.546 -0.238 1.00 1.89 N ATOM 0 H ASN A 36 20.148 2.188 -0.140 1.00 0.59 H new ATOM 0 HA ASN A 36 22.277 0.215 -0.150 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.572 2.488 1.722 1.00 0.70 H new ATOM 0 HB3 ASN A 36 23.035 1.526 1.797 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.677 3.131 -0.912 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.647 1.733 0.168 1.00 1.89 H new ATOM 543 N GLU A 37 20.095 0.440 2.309 1.00 0.57 N ATOM 544 CA GLU A 37 19.390 -0.316 3.309 1.00 0.56 C ATOM 545 C GLU A 37 18.406 -1.209 2.604 1.00 0.50 C ATOM 546 O GLU A 37 18.170 -2.322 3.037 1.00 0.52 O ATOM 547 CB GLU A 37 18.664 0.592 4.277 1.00 0.66 C ATOM 548 CG GLU A 37 19.569 1.597 4.929 1.00 0.75 C ATOM 549 CD GLU A 37 20.098 1.131 6.271 1.00 0.76 C ATOM 550 OE1 GLU A 37 20.781 0.086 6.309 1.00 1.40 O ATOM 551 OE2 GLU A 37 19.823 1.807 7.285 1.00 1.29 O ATOM 0 H GLU A 37 19.877 1.436 2.295 1.00 0.57 H new ATOM 0 HA GLU A 37 20.102 -0.904 3.888 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.869 1.117 3.748 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.188 -0.014 5.048 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.408 1.806 4.266 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.027 2.533 5.063 1.00 0.75 H new ATOM 558 N PHE A 38 17.837 -0.720 1.487 1.00 0.46 N ATOM 559 CA PHE A 38 16.903 -1.512 0.717 1.00 0.42 C ATOM 560 C PHE A 38 17.475 -2.896 0.512 1.00 0.45 C ATOM 561 O PHE A 38 16.741 -3.863 0.428 1.00 0.45 O ATOM 562 CB PHE A 38 16.613 -0.847 -0.620 1.00 0.43 C ATOM 563 CG PHE A 38 15.418 -1.414 -1.322 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.414 -2.722 -1.764 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.293 -0.641 -1.523 1.00 1.30 C ATOM 566 CE1 PHE A 38 14.306 -3.247 -2.399 1.00 1.21 C ATOM 567 CE2 PHE A 38 13.179 -1.156 -2.154 1.00 1.32 C ATOM 568 CZ PHE A 38 13.185 -2.464 -2.594 1.00 0.45 C ATOM 0 H PHE A 38 18.015 0.212 1.113 1.00 0.46 H new ATOM 0 HA PHE A 38 15.962 -1.590 1.262 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.458 0.220 -0.460 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.486 -0.949 -1.265 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.286 -3.341 -1.612 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.284 0.383 -1.181 1.00 1.30 H new ATOM 0 HE1 PHE A 38 14.316 -4.271 -2.743 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.306 -0.538 -2.303 1.00 1.32 H new ATOM 0 HZ PHE A 38 12.317 -2.874 -3.089 1.00 0.45 H new ATOM 578 N LYS A 39 18.808 -2.972 0.485 1.00 0.49 N ATOM 579 CA LYS A 39 19.503 -4.242 0.322 1.00 0.53 C ATOM 580 C LYS A 39 19.118 -5.240 1.398 1.00 0.53 C ATOM 581 O LYS A 39 19.353 -6.439 1.276 1.00 0.56 O ATOM 582 CB LYS A 39 21.007 -4.022 0.300 1.00 0.61 C ATOM 583 CG LYS A 39 21.419 -3.044 -0.769 1.00 0.67 C ATOM 584 CD LYS A 39 22.296 -3.699 -1.827 1.00 0.71 C ATOM 585 CE LYS A 39 23.575 -4.265 -1.228 1.00 1.47 C ATOM 586 NZ LYS A 39 24.469 -4.841 -2.272 1.00 1.80 N ATOM 0 H LYS A 39 19.425 -2.165 0.575 1.00 0.49 H new ATOM 0 HA LYS A 39 19.197 -4.667 -0.634 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.334 -3.655 1.273 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.510 -4.974 0.133 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.530 -2.626 -1.242 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.958 -2.213 -0.313 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.739 -4.498 -2.317 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.547 -2.968 -2.595 1.00 0.71 H new ATOM 0 HE2 LYS A 39 24.104 -3.478 -0.691 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.325 -5.036 -0.499 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.329 -5.216 -1.824 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.974 -5.609 -2.768 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 24.729 -4.100 -2.954 1.00 1.80 H new ATOM 600 N GLU A 40 18.571 -4.716 2.459 1.00 0.52 N ATOM 601 CA GLU A 40 18.084 -5.524 3.563 1.00 0.56 C ATOM 602 C GLU A 40 16.685 -6.068 3.222 1.00 0.54 C ATOM 603 O GLU A 40 16.161 -6.946 3.907 1.00 0.60 O ATOM 604 CB GLU A 40 18.053 -4.692 4.857 1.00 0.60 C ATOM 605 CG GLU A 40 16.780 -3.883 5.050 1.00 1.09 C ATOM 606 CD GLU A 40 16.777 -3.111 6.358 1.00 1.91 C ATOM 607 OE1 GLU A 40 17.322 -1.987 6.390 1.00 2.43 O ATOM 608 OE2 GLU A 40 16.234 -3.637 7.353 1.00 2.62 O ATOM 0 H GLU A 40 18.446 -3.712 2.592 1.00 0.52 H new ATOM 0 HA GLU A 40 18.757 -6.367 3.723 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.177 -5.361 5.708 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.905 -4.013 4.859 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.666 -3.186 4.220 1.00 1.09 H new ATOM 0 HG3 GLU A 40 15.920 -4.552 5.024 1.00 1.09 H new ATOM 615 N LEU A 41 16.089 -5.516 2.157 1.00 0.49 N ATOM 616 CA LEU A 41 14.765 -5.915 1.695 1.00 0.50 C ATOM 617 C LEU A 41 14.768 -7.350 1.173 1.00 0.55 C ATOM 618 O LEU A 41 14.680 -8.291 1.956 1.00 0.62 O ATOM 619 CB LEU A 41 14.266 -4.954 0.597 1.00 0.46 C ATOM 620 CG LEU A 41 14.015 -3.493 0.997 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.703 -3.007 0.409 1.00 0.55 C ATOM 622 CD2 LEU A 41 14.016 -3.297 2.510 1.00 0.66 C ATOM 0 H LEU A 41 16.517 -4.780 1.595 1.00 0.49 H new ATOM 0 HA LEU A 41 14.087 -5.865 2.547 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.995 -4.961 -0.213 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.337 -5.357 0.193 1.00 0.46 H new ATOM 0 HG LEU A 41 14.837 -2.903 0.593 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.536 -1.970 0.700 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.743 -3.077 -0.678 1.00 0.55 H new ATOM 0 HD13 LEU A 41 11.886 -3.624 0.782 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.834 -2.247 2.741 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.231 -3.908 2.957 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.983 -3.596 2.915 1.00 0.66 H new ATOM 634 N ALA A 42 14.890 -7.523 -0.151 1.00 0.55 N ATOM 635 CA ALA A 42 14.885 -8.842 -0.749 1.00 0.61 C ATOM 636 C ALA A 42 15.706 -9.843 0.050 1.00 0.67 C ATOM 637 O ALA A 42 15.417 -11.027 0.043 1.00 0.74 O ATOM 638 CB ALA A 42 15.388 -8.771 -2.160 1.00 0.65 C ATOM 0 H ALA A 42 14.993 -6.758 -0.818 1.00 0.55 H new ATOM 0 HA ALA A 42 13.854 -9.194 -0.746 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.380 -9.768 -2.600 1.00 0.65 H new ATOM 0 HB2 ALA A 42 14.744 -8.112 -2.743 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.406 -8.381 -2.164 1.00 0.65 H new ATOM 644 N THR A 43 16.723 -9.361 0.746 1.00 0.66 N ATOM 645 CA THR A 43 17.572 -10.224 1.534 1.00 0.73 C ATOM 646 C THR A 43 16.777 -10.927 2.639 1.00 0.78 C ATOM 647 O THR A 43 16.793 -12.150 2.741 1.00 0.86 O ATOM 648 CB THR A 43 18.719 -9.405 2.138 1.00 0.72 C ATOM 649 OG1 THR A 43 18.224 -8.137 2.588 1.00 0.66 O ATOM 650 CG2 THR A 43 19.825 -9.181 1.121 1.00 0.75 C ATOM 0 H THR A 43 16.977 -8.374 0.778 1.00 0.66 H new ATOM 0 HA THR A 43 17.983 -10.995 0.882 1.00 0.73 H new ATOM 0 HB THR A 43 19.129 -9.964 2.979 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.277 -7.487 1.857 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.625 -8.598 1.576 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.219 -10.143 0.794 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.426 -8.641 0.262 1.00 0.75 H new ATOM 658 N GLN A 44 16.128 -10.148 3.498 1.00 0.77 N ATOM 659 CA GLN A 44 15.296 -10.699 4.550 1.00 0.85 C ATOM 660 C GLN A 44 13.937 -11.056 3.986 1.00 0.85 C ATOM 661 O GLN A 44 13.279 -11.992 4.443 1.00 0.94 O ATOM 662 CB GLN A 44 15.147 -9.703 5.702 1.00 0.88 C ATOM 663 CG GLN A 44 16.442 -9.431 6.447 1.00 1.54 C ATOM 664 CD GLN A 44 16.253 -8.472 7.605 1.00 2.05 C ATOM 665 OE1 GLN A 44 15.976 -8.886 8.730 1.00 2.54 O ATOM 666 NE2 GLN A 44 16.402 -7.179 7.335 1.00 2.75 N ATOM 0 H GLN A 44 16.166 -9.129 3.482 1.00 0.77 H new ATOM 0 HA GLN A 44 15.772 -11.598 4.940 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.760 -8.763 5.309 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.407 -10.083 6.406 1.00 0.88 H new ATOM 0 HG2 GLN A 44 16.847 -10.371 6.820 1.00 1.54 H new ATOM 0 HG3 GLN A 44 17.177 -9.020 5.755 1.00 1.54 H new ATOM 0 HE21 GLN A 44 16.632 -6.879 6.388 1.00 2.75 H new ATOM 0 HE22 GLN A 44 16.286 -6.487 8.075 1.00 2.75 H new ATOM 675 N GLN A 45 13.520 -10.291 2.992 1.00 0.78 N ATOM 676 CA GLN A 45 12.258 -10.530 2.332 1.00 0.83 C ATOM 677 C GLN A 45 12.347 -11.842 1.574 1.00 0.79 C ATOM 678 O GLN A 45 11.345 -12.512 1.338 1.00 0.80 O ATOM 679 CB GLN A 45 11.929 -9.363 1.414 1.00 0.93 C ATOM 680 CG GLN A 45 11.804 -8.048 2.166 1.00 0.97 C ATOM 681 CD GLN A 45 11.613 -6.845 1.269 1.00 1.36 C ATOM 682 OE1 GLN A 45 11.909 -5.724 1.679 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.125 -7.061 0.045 1.00 1.43 N ATOM 0 H GLN A 45 14.044 -9.496 2.626 1.00 0.78 H new ATOM 0 HA GLN A 45 11.451 -10.607 3.060 1.00 0.83 H new ATOM 0 HB2 GLN A 45 12.706 -9.271 0.655 1.00 0.93 H new ATOM 0 HB3 GLN A 45 10.995 -9.569 0.891 1.00 0.93 H new ATOM 0 HG2 GLN A 45 10.961 -8.113 2.854 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.699 -7.900 2.770 1.00 0.97 H new ATOM 0 HE21 GLN A 45 10.894 -8.009 -0.252 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.984 -6.278 -0.593 1.00 1.43 H new ATOM 692 N LEU A 46 13.572 -12.206 1.183 1.00 0.78 N ATOM 693 CA LEU A 46 13.823 -13.477 0.518 1.00 0.78 C ATOM 694 C LEU A 46 13.061 -14.557 1.262 1.00 0.74 C ATOM 695 O LEU A 46 12.060 -15.046 0.756 1.00 0.75 O ATOM 696 CB LEU A 46 15.321 -13.821 0.483 1.00 0.83 C ATOM 697 CG LEU A 46 16.035 -13.664 -0.865 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.458 -14.188 -0.770 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.275 -14.391 -1.960 1.00 1.30 C ATOM 0 H LEU A 46 14.404 -11.632 1.319 1.00 0.78 H new ATOM 0 HA LEU A 46 13.488 -13.406 -0.517 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.831 -13.192 1.213 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.440 -14.853 0.813 1.00 0.83 H new ATOM 0 HG LEU A 46 16.069 -12.604 -1.117 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.954 -14.071 -1.734 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.003 -13.627 -0.011 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.440 -15.243 -0.497 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.797 -14.268 -2.909 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.211 -15.451 -1.716 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.270 -13.976 -2.042 1.00 1.30 H new ATOM 711 N PRO A 47 13.476 -14.929 2.497 1.00 0.78 N ATOM 712 CA PRO A 47 12.719 -15.935 3.212 1.00 0.80 C ATOM 713 C PRO A 47 11.497 -15.342 3.892 1.00 0.77 C ATOM 714 O PRO A 47 11.548 -14.878 5.032 1.00 0.81 O ATOM 715 CB PRO A 47 13.713 -16.393 4.276 1.00 0.90 C ATOM 716 CG PRO A 47 14.571 -15.201 4.538 1.00 0.95 C ATOM 717 CD PRO A 47 14.653 -14.448 3.238 1.00 0.90 C ATOM 0 HA PRO A 47 12.348 -16.724 2.558 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.201 -16.718 5.182 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.306 -17.237 3.925 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.142 -14.578 5.322 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.562 -15.502 4.877 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.618 -13.370 3.394 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.580 -14.663 2.706 1.00 0.90 H new ATOM 725 N HIS A 48 10.406 -15.363 3.151 1.00 0.73 N ATOM 726 CA HIS A 48 9.101 -14.949 3.633 1.00 0.74 C ATOM 727 C HIS A 48 8.269 -16.158 4.017 1.00 0.83 C ATOM 728 O HIS A 48 8.792 -17.261 4.178 1.00 0.91 O ATOM 729 CB HIS A 48 8.387 -14.095 2.589 1.00 0.73 C ATOM 730 CG HIS A 48 8.397 -12.651 2.969 1.00 0.98 C ATOM 731 ND1 HIS A 48 9.234 -11.731 2.385 1.00 1.87 N ATOM 732 CD2 HIS A 48 7.713 -11.981 3.926 1.00 1.34 C ATOM 733 CE1 HIS A 48 9.075 -10.562 2.968 1.00 2.04 C ATOM 734 NE2 HIS A 48 8.155 -10.684 3.906 1.00 1.61 N ATOM 0 H HIS A 48 10.401 -15.674 2.180 1.00 0.73 H new ATOM 0 HA HIS A 48 9.238 -14.338 4.525 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.871 -14.222 1.620 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.358 -14.437 2.479 1.00 0.73 H new ATOM 0 HD1 HIS A 48 9.879 -11.924 1.618 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.960 -12.392 4.582 1.00 1.34 H new ATOM 0 HE1 HIS A 48 9.608 -9.656 2.720 1.00 2.04 H new ATOM 0 HE2 HIS A 48 7.827 -9.936 4.516 1.00 1.61 H new ATOM 743 N LEU A 49 6.968 -15.942 4.165 1.00 0.88 N ATOM 744 CA LEU A 49 6.053 -17.038 4.399 1.00 1.00 C ATOM 745 C LEU A 49 5.772 -17.655 3.032 1.00 0.98 C ATOM 746 O LEU A 49 6.359 -18.673 2.665 1.00 1.02 O ATOM 747 CB LEU A 49 4.758 -16.555 5.061 1.00 1.10 C ATOM 748 CG LEU A 49 4.895 -16.129 6.524 1.00 1.62 C ATOM 749 CD1 LEU A 49 5.789 -14.904 6.648 1.00 2.02 C ATOM 750 CD2 LEU A 49 3.525 -15.854 7.127 1.00 2.44 C ATOM 0 H LEU A 49 6.530 -15.022 4.127 1.00 0.88 H new ATOM 0 HA LEU A 49 6.486 -17.768 5.082 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.368 -15.713 4.489 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.018 -17.353 4.999 1.00 1.10 H new ATOM 0 HG LEU A 49 5.359 -16.946 7.077 1.00 1.62 H new ATOM 0 HD11 LEU A 49 5.872 -14.619 7.697 1.00 2.02 H new ATOM 0 HD12 LEU A 49 6.779 -15.135 6.255 1.00 2.02 H new ATOM 0 HD13 LEU A 49 5.357 -14.079 6.081 1.00 2.02 H new ATOM 0 HD21 LEU A 49 3.640 -15.552 8.168 1.00 2.44 H new ATOM 0 HD22 LEU A 49 3.036 -15.055 6.569 1.00 2.44 H new ATOM 0 HD23 LEU A 49 2.917 -16.757 7.076 1.00 2.44 H new ATOM 762 N LEU A 50 4.866 -17.026 2.280 1.00 0.98 N ATOM 763 CA LEU A 50 4.552 -17.452 0.916 1.00 1.01 C ATOM 764 C LEU A 50 5.532 -16.803 -0.071 1.00 0.92 C ATOM 765 O LEU A 50 5.125 -16.280 -1.108 1.00 1.01 O ATOM 766 CB LEU A 50 3.115 -17.069 0.555 1.00 1.11 C ATOM 767 CG LEU A 50 2.608 -17.638 -0.770 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.619 -19.158 -0.734 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.210 -17.118 -1.071 1.00 2.25 C ATOM 0 H LEU A 50 4.334 -16.215 2.596 1.00 0.98 H new ATOM 0 HA LEU A 50 4.649 -18.536 0.856 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.454 -17.405 1.354 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.043 -15.982 0.518 1.00 1.11 H new ATOM 0 HG LEU A 50 3.275 -17.309 -1.567 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.255 -19.547 -1.685 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.636 -19.511 -0.563 1.00 1.97 H new ATOM 0 HD13 LEU A 50 1.974 -19.508 0.072 1.00 1.97 H new ATOM 0 HD21 LEU A 50 0.864 -17.533 -2.018 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.531 -17.418 -0.273 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.233 -16.030 -1.138 1.00 2.25 H new ATOM 781 N LYS A 51 6.821 -16.842 0.258 1.00 0.85 N ATOM 782 CA LYS A 51 7.855 -16.221 -0.557 1.00 0.81 C ATOM 783 C LYS A 51 7.633 -16.400 -2.053 1.00 0.88 C ATOM 784 O LYS A 51 6.985 -17.345 -2.500 1.00 1.03 O ATOM 785 CB LYS A 51 9.230 -16.774 -0.176 1.00 0.97 C ATOM 786 CG LYS A 51 10.376 -16.265 -1.058 1.00 1.23 C ATOM 787 CD LYS A 51 11.661 -17.085 -0.920 1.00 2.11 C ATOM 788 CE LYS A 51 11.857 -17.652 0.476 1.00 2.68 C ATOM 789 NZ LYS A 51 11.489 -19.093 0.554 1.00 3.58 N ATOM 0 H LYS A 51 7.175 -17.304 1.096 1.00 0.85 H new ATOM 0 HA LYS A 51 7.805 -15.152 -0.352 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.440 -16.512 0.861 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.200 -17.862 -0.230 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.056 -16.278 -2.100 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.587 -15.227 -0.802 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.642 -17.904 -1.639 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.515 -16.457 -1.174 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.898 -17.528 0.774 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.253 -17.085 1.185 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 11.068 -19.294 1.483 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 10.801 -19.317 -0.193 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 12.341 -19.676 0.426 1.00 3.58 H new ATOM 803 N ASP A 52 8.189 -15.462 -2.809 1.00 0.92 N ATOM 804 CA ASP A 52 8.122 -15.483 -4.262 1.00 1.17 C ATOM 805 C ASP A 52 9.454 -15.967 -4.836 1.00 1.23 C ATOM 806 O ASP A 52 9.473 -16.674 -5.838 1.00 1.47 O ATOM 807 CB ASP A 52 7.780 -14.093 -4.811 1.00 1.29 C ATOM 808 CG ASP A 52 6.361 -13.677 -4.483 1.00 1.87 C ATOM 809 OD1 ASP A 52 6.142 -13.134 -3.380 1.00 2.61 O ATOM 810 OD2 ASP A 52 5.468 -13.896 -5.328 1.00 2.35 O ATOM 0 H ASP A 52 8.700 -14.665 -2.430 1.00 0.92 H new ATOM 0 HA ASP A 52 7.332 -16.171 -4.564 1.00 1.17 H new ATOM 0 HB2 ASP A 52 8.475 -13.361 -4.399 1.00 1.29 H new ATOM 0 HB3 ASP A 52 7.917 -14.089 -5.892 1.00 1.29 H new ATOM 815 N VAL A 53 10.554 -15.581 -4.168 1.00 1.13 N ATOM 816 CA VAL A 53 11.920 -15.949 -4.556 1.00 1.26 C ATOM 817 C VAL A 53 12.594 -14.828 -5.342 1.00 1.24 C ATOM 818 O VAL A 53 12.507 -14.726 -6.565 1.00 1.48 O ATOM 819 CB VAL A 53 11.996 -17.319 -5.285 1.00 1.57 C ATOM 820 CG1 VAL A 53 11.861 -17.218 -6.805 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.284 -18.039 -4.918 1.00 1.91 C ATOM 0 H VAL A 53 10.516 -14.997 -3.333 1.00 1.13 H new ATOM 0 HA VAL A 53 12.485 -16.082 -3.633 1.00 1.26 H new ATOM 0 HB VAL A 53 11.136 -17.894 -4.942 1.00 1.57 H new ATOM 0 HG11 VAL A 53 11.924 -18.214 -7.243 1.00 2.17 H new ATOM 0 HG12 VAL A 53 10.899 -16.771 -7.056 1.00 2.17 H new ATOM 0 HG13 VAL A 53 12.664 -16.596 -7.201 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.325 -18.998 -5.435 1.00 1.91 H new ATOM 0 HG22 VAL A 53 14.138 -17.430 -5.214 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.313 -18.206 -3.841 1.00 1.91 H new ATOM 831 N GLY A 54 13.242 -13.958 -4.592 1.00 1.06 N ATOM 832 CA GLY A 54 13.928 -12.831 -5.174 1.00 1.11 C ATOM 833 C GLY A 54 15.285 -13.191 -5.740 1.00 1.14 C ATOM 834 O GLY A 54 16.257 -13.330 -4.998 1.00 1.24 O ATOM 0 H GLY A 54 13.305 -14.014 -3.576 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.311 -12.407 -5.966 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.050 -12.057 -4.417 1.00 1.11 H new ATOM 838 N SER A 55 15.352 -13.344 -7.057 1.00 1.18 N ATOM 839 CA SER A 55 16.607 -13.668 -7.720 1.00 1.25 C ATOM 840 C SER A 55 17.595 -12.524 -7.527 1.00 1.11 C ATOM 841 O SER A 55 17.304 -11.382 -7.881 1.00 1.10 O ATOM 842 CB SER A 55 16.370 -13.921 -9.209 1.00 1.41 C ATOM 843 OG SER A 55 17.529 -14.450 -9.827 1.00 1.61 O ATOM 0 H SER A 55 14.554 -13.249 -7.685 1.00 1.18 H new ATOM 0 HA SER A 55 17.021 -14.575 -7.280 1.00 1.25 H new ATOM 0 HB2 SER A 55 15.538 -14.614 -9.335 1.00 1.41 H new ATOM 0 HB3 SER A 55 16.086 -12.989 -9.699 1.00 1.41 H new ATOM 0 HG SER A 55 17.351 -14.604 -10.778 1.00 1.61 H new ATOM 849 N LEU A 56 18.776 -12.848 -7.000 1.00 1.15 N ATOM 850 CA LEU A 56 19.811 -11.851 -6.710 1.00 1.10 C ATOM 851 C LEU A 56 19.884 -10.750 -7.767 1.00 0.98 C ATOM 852 O LEU A 56 19.894 -9.566 -7.434 1.00 0.97 O ATOM 853 CB LEU A 56 21.173 -12.534 -6.584 1.00 1.28 C ATOM 854 CG LEU A 56 21.242 -13.654 -5.544 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.644 -14.234 -5.477 1.00 2.61 C ATOM 856 CD2 LEU A 56 20.809 -13.140 -4.178 1.00 2.83 C ATOM 0 H LEU A 56 19.043 -13.803 -6.763 1.00 1.15 H new ATOM 0 HA LEU A 56 19.539 -11.376 -5.767 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.448 -12.944 -7.556 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.919 -11.780 -6.333 1.00 1.28 H new ATOM 0 HG LEU A 56 20.558 -14.447 -5.846 1.00 2.03 H new ATOM 0 HD11 LEU A 56 22.674 -15.029 -4.732 1.00 2.61 H new ATOM 0 HD12 LEU A 56 22.917 -14.639 -6.451 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.349 -13.450 -5.200 1.00 2.61 H new ATOM 0 HD21 LEU A 56 20.864 -13.950 -3.450 1.00 2.83 H new ATOM 0 HD22 LEU A 56 21.468 -12.329 -3.869 1.00 2.83 H new ATOM 0 HD23 LEU A 56 19.784 -12.773 -4.235 1.00 2.83 H new ATOM 868 N ASP A 57 19.936 -11.133 -9.036 1.00 1.00 N ATOM 869 CA ASP A 57 20.009 -10.150 -10.112 1.00 1.01 C ATOM 870 C ASP A 57 18.903 -9.120 -9.991 1.00 0.95 C ATOM 871 O ASP A 57 19.160 -7.920 -9.973 1.00 0.96 O ATOM 872 CB ASP A 57 19.890 -10.804 -11.477 1.00 1.15 C ATOM 873 CG ASP A 57 18.957 -12.000 -11.479 1.00 1.69 C ATOM 874 OD1 ASP A 57 17.729 -11.797 -11.594 1.00 2.20 O ATOM 875 OD2 ASP A 57 19.453 -13.142 -11.364 1.00 2.48 O ATOM 0 H ASP A 57 19.929 -12.105 -9.345 1.00 1.00 H new ATOM 0 HA ASP A 57 20.982 -9.668 -10.019 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.531 -10.068 -12.197 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.878 -11.120 -11.810 1.00 1.15 H new ATOM 880 N GLU A 58 17.670 -9.605 -9.915 1.00 0.94 N ATOM 881 CA GLU A 58 16.503 -8.739 -9.802 1.00 0.95 C ATOM 882 C GLU A 58 16.721 -7.719 -8.701 1.00 0.87 C ATOM 883 O GLU A 58 16.280 -6.574 -8.792 1.00 0.90 O ATOM 884 CB GLU A 58 15.253 -9.573 -9.514 1.00 0.98 C ATOM 885 CG GLU A 58 14.725 -10.306 -10.735 1.00 1.43 C ATOM 886 CD GLU A 58 13.419 -11.026 -10.463 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.350 -10.407 -10.647 1.00 2.29 O ATOM 888 OE2 GLU A 58 13.465 -12.210 -10.067 1.00 2.42 O ATOM 0 H GLU A 58 17.452 -10.601 -9.930 1.00 0.94 H new ATOM 0 HA GLU A 58 16.359 -8.213 -10.746 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.481 -10.299 -8.734 1.00 0.98 H new ATOM 0 HB3 GLU A 58 14.471 -8.921 -9.124 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.581 -9.594 -11.547 1.00 1.43 H new ATOM 0 HG3 GLU A 58 15.470 -11.027 -11.072 1.00 1.43 H new ATOM 895 N LYS A 59 17.411 -8.157 -7.660 1.00 0.81 N ATOM 896 CA LYS A 59 17.719 -7.302 -6.539 1.00 0.76 C ATOM 897 C LYS A 59 18.830 -6.323 -6.888 1.00 0.80 C ATOM 898 O LYS A 59 18.937 -5.254 -6.292 1.00 0.79 O ATOM 899 CB LYS A 59 18.083 -8.147 -5.321 1.00 0.75 C ATOM 900 CG LYS A 59 16.890 -8.886 -4.726 1.00 0.75 C ATOM 901 CD LYS A 59 16.650 -10.215 -5.407 1.00 1.14 C ATOM 902 CE LYS A 59 15.449 -10.145 -6.342 1.00 1.95 C ATOM 903 NZ LYS A 59 14.177 -9.924 -5.598 1.00 2.67 N ATOM 0 H LYS A 59 17.768 -9.109 -7.574 1.00 0.81 H new ATOM 0 HA LYS A 59 16.835 -6.714 -6.295 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.847 -8.871 -5.604 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.521 -7.504 -4.558 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.059 -9.049 -3.662 1.00 0.75 H new ATOM 0 HG3 LYS A 59 15.998 -8.266 -4.816 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.537 -10.503 -5.971 1.00 1.14 H new ATOM 0 HD3 LYS A 59 16.485 -10.987 -4.656 1.00 1.14 H new ATOM 0 HE2 LYS A 59 15.595 -9.338 -7.060 1.00 1.95 H new ATOM 0 HE3 LYS A 59 15.379 -11.071 -6.913 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 13.445 -10.565 -5.964 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 14.329 -10.114 -4.587 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 13.868 -8.939 -5.723 1.00 2.67 H new ATOM 917 N MET A 60 19.660 -6.701 -7.850 1.00 0.86 N ATOM 918 CA MET A 60 20.748 -5.858 -8.300 1.00 0.92 C ATOM 919 C MET A 60 20.260 -4.813 -9.311 1.00 0.96 C ATOM 920 O MET A 60 20.802 -3.711 -9.393 1.00 1.01 O ATOM 921 CB MET A 60 21.849 -6.715 -8.931 1.00 1.00 C ATOM 922 CG MET A 60 22.515 -7.665 -7.950 1.00 1.00 C ATOM 923 SD MET A 60 23.309 -6.805 -6.579 1.00 1.73 S ATOM 924 CE MET A 60 23.971 -8.188 -5.652 1.00 2.31 C ATOM 0 H MET A 60 19.595 -7.596 -8.335 1.00 0.86 H new ATOM 0 HA MET A 60 21.148 -5.333 -7.433 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.423 -7.292 -9.752 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.607 -6.060 -9.361 1.00 1.00 H new ATOM 0 HG2 MET A 60 21.770 -8.356 -7.557 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.258 -8.263 -8.477 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.494 -7.818 -4.770 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.156 -8.842 -5.343 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.667 -8.746 -6.278 1.00 2.31 H new ATOM 934 N LYS A 61 19.231 -5.175 -10.076 1.00 0.97 N ATOM 935 CA LYS A 61 18.669 -4.292 -11.107 1.00 1.02 C ATOM 936 C LYS A 61 17.730 -3.271 -10.504 1.00 0.96 C ATOM 937 O LYS A 61 18.029 -2.078 -10.460 1.00 0.92 O ATOM 938 CB LYS A 61 17.898 -5.088 -12.168 1.00 1.08 C ATOM 939 CG LYS A 61 18.241 -6.565 -12.232 1.00 1.55 C ATOM 940 CD LYS A 61 17.719 -7.204 -13.508 1.00 2.07 C ATOM 941 CE LYS A 61 16.204 -7.101 -13.600 1.00 2.59 C ATOM 942 NZ LYS A 61 15.676 -7.751 -14.832 1.00 3.16 N ATOM 0 H LYS A 61 18.764 -6.079 -10.003 1.00 0.97 H new ATOM 0 HA LYS A 61 19.514 -3.785 -11.573 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.830 -4.986 -11.973 1.00 1.08 H new ATOM 0 HB3 LYS A 61 18.088 -4.643 -13.145 1.00 1.08 H new ATOM 0 HG2 LYS A 61 19.322 -6.691 -12.177 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.816 -7.076 -11.368 1.00 1.55 H new ATOM 0 HD2 LYS A 61 18.172 -6.717 -14.372 1.00 2.07 H new ATOM 0 HD3 LYS A 61 18.017 -8.252 -13.540 1.00 2.07 H new ATOM 0 HE2 LYS A 61 15.755 -7.567 -12.723 1.00 2.59 H new ATOM 0 HE3 LYS A 61 15.910 -6.051 -13.589 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 14.640 -7.659 -14.857 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 16.085 -7.290 -15.670 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 15.934 -8.759 -14.831 1.00 3.16 H new ATOM 956 N THR A 62 16.585 -3.754 -10.034 1.00 0.98 N ATOM 957 CA THR A 62 15.580 -2.888 -9.435 1.00 0.96 C ATOM 958 C THR A 62 16.225 -1.948 -8.421 1.00 0.86 C ATOM 959 O THR A 62 15.706 -0.871 -8.130 1.00 0.84 O ATOM 960 CB THR A 62 14.461 -3.694 -8.752 1.00 1.02 C ATOM 961 OG1 THR A 62 13.889 -4.627 -9.678 1.00 1.12 O ATOM 962 CG2 THR A 62 13.375 -2.768 -8.230 1.00 1.05 C ATOM 0 H THR A 62 16.331 -4.742 -10.057 1.00 0.98 H new ATOM 0 HA THR A 62 15.133 -2.306 -10.241 1.00 0.96 H new ATOM 0 HB THR A 62 14.896 -4.237 -7.913 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.420 -5.450 -9.683 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.593 -3.358 -7.751 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.804 -2.077 -7.505 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.947 -2.205 -9.059 1.00 1.05 H new ATOM 970 N LEU A 63 17.367 -2.380 -7.888 1.00 0.86 N ATOM 971 CA LEU A 63 18.143 -1.597 -6.934 1.00 0.84 C ATOM 972 C LEU A 63 18.155 -0.117 -7.317 1.00 0.80 C ATOM 973 O LEU A 63 17.671 0.732 -6.572 1.00 0.89 O ATOM 974 CB LEU A 63 19.569 -2.157 -6.901 1.00 0.95 C ATOM 975 CG LEU A 63 20.519 -1.508 -5.904 1.00 0.92 C ATOM 976 CD1 LEU A 63 21.473 -2.544 -5.329 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.300 -0.382 -6.568 1.00 1.40 C ATOM 0 H LEU A 63 17.780 -3.287 -8.108 1.00 0.86 H new ATOM 0 HA LEU A 63 17.689 -1.670 -5.946 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.514 -3.223 -6.679 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.999 -2.060 -7.898 1.00 0.95 H new ATOM 0 HG LEU A 63 19.929 -1.088 -5.089 1.00 0.92 H new ATOM 0 HD11 LEU A 63 22.146 -2.064 -4.618 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.903 -3.322 -4.821 1.00 1.05 H new ATOM 0 HD13 LEU A 63 22.055 -2.990 -6.135 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.974 0.071 -5.841 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.879 -0.782 -7.400 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.606 0.373 -6.939 1.00 1.40 H new ATOM 989 N ASP A 64 18.695 0.178 -8.492 1.00 0.79 N ATOM 990 CA ASP A 64 18.755 1.548 -8.982 1.00 0.82 C ATOM 991 C ASP A 64 17.353 2.101 -9.233 1.00 0.82 C ATOM 992 O ASP A 64 17.151 3.315 -9.267 1.00 0.89 O ATOM 993 CB ASP A 64 19.583 1.609 -10.268 1.00 0.91 C ATOM 994 CG ASP A 64 21.066 1.428 -10.010 1.00 1.35 C ATOM 995 OD1 ASP A 64 21.526 0.267 -9.980 1.00 2.05 O ATOM 996 OD2 ASP A 64 21.768 2.447 -9.840 1.00 1.99 O ATOM 0 H ASP A 64 19.098 -0.514 -9.124 1.00 0.79 H new ATOM 0 HA ASP A 64 19.232 2.163 -8.219 1.00 0.82 H new ATOM 0 HB2 ASP A 64 19.240 0.836 -10.955 1.00 0.91 H new ATOM 0 HB3 ASP A 64 19.417 2.568 -10.759 1.00 0.91 H new ATOM 1001 N VAL A 65 16.386 1.202 -9.408 1.00 0.82 N ATOM 1002 CA VAL A 65 15.006 1.599 -9.660 1.00 0.87 C ATOM 1003 C VAL A 65 14.277 1.984 -8.369 1.00 0.77 C ATOM 1004 O VAL A 65 13.899 3.140 -8.186 1.00 0.82 O ATOM 1005 CB VAL A 65 14.223 0.475 -10.369 1.00 0.95 C ATOM 1006 CG1 VAL A 65 12.788 0.905 -10.634 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.914 0.084 -11.668 1.00 1.07 C ATOM 0 H VAL A 65 16.535 0.193 -9.379 1.00 0.82 H new ATOM 0 HA VAL A 65 15.049 2.474 -10.309 1.00 0.87 H new ATOM 0 HB VAL A 65 14.202 -0.396 -9.714 1.00 0.95 H new ATOM 0 HG11 VAL A 65 12.253 0.098 -11.135 1.00 1.06 H new ATOM 0 HG12 VAL A 65 12.296 1.135 -9.689 1.00 1.06 H new ATOM 0 HG13 VAL A 65 12.785 1.791 -11.269 1.00 1.06 H new ATOM 0 HG21 VAL A 65 14.349 -0.710 -12.156 1.00 1.07 H new ATOM 0 HG22 VAL A 65 14.966 0.950 -12.328 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.923 -0.268 -11.452 1.00 1.07 H new ATOM 1017 N ASN A 66 14.080 1.012 -7.476 1.00 0.72 N ATOM 1018 CA ASN A 66 13.378 1.265 -6.214 1.00 0.68 C ATOM 1019 C ASN A 66 14.276 1.903 -5.168 1.00 0.57 C ATOM 1020 O ASN A 66 14.343 1.432 -4.032 1.00 0.57 O ATOM 1021 CB ASN A 66 12.811 -0.027 -5.628 1.00 0.82 C ATOM 1022 CG ASN A 66 11.583 -0.532 -6.366 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.474 -1.722 -6.664 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.641 0.361 -6.650 1.00 1.10 N ATOM 0 H ASN A 66 14.393 0.049 -7.601 1.00 0.72 H new ATOM 0 HA ASN A 66 12.571 1.956 -6.458 1.00 0.68 H new ATOM 0 HB2 ASN A 66 13.582 -0.797 -5.650 1.00 0.82 H new ATOM 0 HB3 ASN A 66 12.555 0.138 -4.581 1.00 0.82 H new ATOM 0 HD21 ASN A 66 9.790 0.069 -7.132 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.768 1.338 -6.386 1.00 1.10 H new ATOM 1031 N GLN A 67 14.961 2.971 -5.523 1.00 0.62 N ATOM 1032 CA GLN A 67 15.810 3.630 -4.551 1.00 0.68 C ATOM 1033 C GLN A 67 14.961 4.452 -3.605 1.00 0.61 C ATOM 1034 O GLN A 67 15.030 4.313 -2.391 1.00 0.66 O ATOM 1035 CB GLN A 67 16.893 4.519 -5.185 1.00 0.88 C ATOM 1036 CG GLN A 67 16.599 5.103 -6.553 1.00 0.74 C ATOM 1037 CD GLN A 67 15.625 6.255 -6.539 1.00 1.15 C ATOM 1038 OE1 GLN A 67 14.421 6.009 -7.037 1.00 1.97 O flip ATOM 1039 NE2 GLN A 67 15.957 7.362 -6.117 1.00 1.36 N flip ATOM 0 H GLN A 67 14.949 3.393 -6.452 1.00 0.62 H new ATOM 0 HA GLN A 67 16.333 2.842 -4.009 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.095 5.344 -4.502 1.00 0.88 H new ATOM 0 HB3 GLN A 67 17.810 3.934 -5.258 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.534 5.439 -7.001 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.203 4.315 -7.194 1.00 0.74 H new ATOM 0 HE21 GLN A 67 16.895 7.505 -5.742 1.00 1.36 H new ATOM 0 HE22 GLN A 67 15.294 8.137 -6.142 1.00 1.36 H new ATOM 1048 N ASP A 68 14.111 5.260 -4.174 1.00 0.59 N ATOM 1049 CA ASP A 68 13.265 6.129 -3.400 1.00 0.62 C ATOM 1050 C ASP A 68 12.025 5.398 -2.897 1.00 0.59 C ATOM 1051 O ASP A 68 11.130 6.012 -2.318 1.00 0.66 O ATOM 1052 CB ASP A 68 12.885 7.348 -4.216 1.00 0.74 C ATOM 1053 CG ASP A 68 14.055 8.283 -4.451 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.890 8.432 -3.535 1.00 1.51 O ATOM 1055 OD2 ASP A 68 14.136 8.865 -5.553 1.00 1.62 O ATOM 0 H ASP A 68 13.984 5.336 -5.183 1.00 0.59 H new ATOM 0 HA ASP A 68 13.824 6.457 -2.523 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.484 7.026 -5.177 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.090 7.889 -3.704 1.00 0.74 H new ATOM 1060 N SER A 69 11.977 4.078 -3.111 1.00 0.56 N ATOM 1061 CA SER A 69 10.864 3.269 -2.636 1.00 0.59 C ATOM 1062 C SER A 69 10.696 3.513 -1.134 1.00 0.63 C ATOM 1063 O SER A 69 9.665 3.205 -0.552 1.00 0.75 O ATOM 1064 CB SER A 69 11.087 1.784 -2.970 1.00 0.68 C ATOM 1065 OG SER A 69 10.872 1.541 -4.349 1.00 1.75 O ATOM 0 H SER A 69 12.697 3.555 -3.609 1.00 0.56 H new ATOM 0 HA SER A 69 9.942 3.557 -3.141 1.00 0.59 H new ATOM 0 HB2 SER A 69 12.102 1.494 -2.699 1.00 0.68 H new ATOM 0 HB3 SER A 69 10.411 1.168 -2.378 1.00 0.68 H new ATOM 0 HG SER A 69 9.910 1.533 -4.534 1.00 1.75 H new ATOM 1071 N GLU A 70 11.780 4.004 -0.527 1.00 0.64 N ATOM 1072 CA GLU A 70 11.812 4.449 0.863 1.00 0.76 C ATOM 1073 C GLU A 70 11.902 5.955 0.817 1.00 0.78 C ATOM 1074 O GLU A 70 12.849 6.474 0.240 1.00 0.81 O ATOM 1075 CB GLU A 70 13.061 3.961 1.564 1.00 0.85 C ATOM 1076 CG GLU A 70 14.317 4.310 0.805 1.00 1.33 C ATOM 1077 CD GLU A 70 15.187 3.104 0.518 1.00 2.19 C ATOM 1078 OE1 GLU A 70 14.804 2.299 -0.353 1.00 2.88 O ATOM 1079 OE2 GLU A 70 16.249 2.964 1.152 1.00 2.72 O ATOM 0 H GLU A 70 12.678 4.104 -1.001 1.00 0.64 H new ATOM 0 HA GLU A 70 10.935 4.073 1.390 1.00 0.76 H new ATOM 0 HB2 GLU A 70 13.109 4.397 2.562 1.00 0.85 H new ATOM 0 HB3 GLU A 70 13.005 2.880 1.691 1.00 0.85 H new ATOM 0 HG2 GLU A 70 14.046 4.788 -0.136 1.00 1.33 H new ATOM 0 HG3 GLU A 70 14.891 5.038 1.378 1.00 1.33 H new ATOM 1086 N LEU A 71 10.961 6.678 1.385 1.00 0.79 N ATOM 1087 CA LEU A 71 11.033 8.106 1.275 1.00 0.83 C ATOM 1088 C LEU A 71 10.603 8.889 2.507 1.00 0.81 C ATOM 1089 O LEU A 71 9.775 8.447 3.294 1.00 0.86 O ATOM 1090 CB LEU A 71 10.173 8.429 0.089 1.00 0.99 C ATOM 1091 CG LEU A 71 9.863 9.866 -0.185 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.873 10.501 0.779 1.00 1.89 C ATOM 1093 CD2 LEU A 71 11.114 10.665 -0.278 1.00 1.26 C ATOM 0 H LEU A 71 10.166 6.311 1.909 1.00 0.79 H new ATOM 0 HA LEU A 71 12.074 8.411 1.165 1.00 0.83 H new ATOM 0 HB2 LEU A 71 10.658 8.018 -0.796 1.00 0.99 H new ATOM 0 HB3 LEU A 71 9.227 7.901 0.209 1.00 0.99 H new ATOM 0 HG LEU A 71 9.355 9.874 -1.149 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.711 11.542 0.501 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.926 9.962 0.736 1.00 1.89 H new ATOM 0 HD13 LEU A 71 9.271 10.454 1.793 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.866 11.707 -0.478 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.661 10.596 0.662 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.734 10.278 -1.087 1.00 1.26 H new ATOM 1105 N ARG A 72 11.256 10.031 2.703 1.00 0.77 N ATOM 1106 CA ARG A 72 10.894 10.953 3.758 1.00 0.79 C ATOM 1107 C ARG A 72 10.419 12.268 3.133 1.00 0.68 C ATOM 1108 O ARG A 72 9.583 12.967 3.702 1.00 0.75 O ATOM 1109 CB ARG A 72 12.068 11.244 4.685 1.00 0.91 C ATOM 1110 CG ARG A 72 13.057 10.121 4.822 1.00 1.00 C ATOM 1111 CD ARG A 72 12.407 8.750 4.943 1.00 1.06 C ATOM 1112 NE ARG A 72 11.053 8.803 5.492 1.00 1.30 N ATOM 1113 CZ ARG A 72 10.785 9.111 6.755 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.771 9.415 7.588 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.531 9.117 7.187 1.00 1.42 N ATOM 0 H ARG A 72 12.046 10.336 2.134 1.00 0.77 H new ATOM 0 HA ARG A 72 10.101 10.493 4.348 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.591 12.127 4.319 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.680 11.490 5.673 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.721 10.125 3.957 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.677 10.299 5.700 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.376 8.281 3.959 1.00 1.06 H new ATOM 0 HD3 ARG A 72 13.026 8.116 5.578 1.00 1.06 H new ATOM 0 HE ARG A 72 10.272 8.592 4.871 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.736 9.412 7.258 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.564 9.652 8.558 1.00 1.56 H new ATOM 0 HH21 ARG A 72 8.770 8.885 6.548 1.00 1.42 H new ATOM 0 HH22 ARG A 72 9.327 9.354 8.158 1.00 1.42 H new ATOM 1129 N PHE A 73 10.943 12.583 1.938 1.00 0.60 N ATOM 1130 CA PHE A 73 10.580 13.819 1.246 1.00 0.57 C ATOM 1131 C PHE A 73 9.428 13.641 0.209 1.00 0.51 C ATOM 1132 O PHE A 73 8.306 13.379 0.625 1.00 0.63 O ATOM 1133 CB PHE A 73 11.843 14.546 0.697 1.00 0.64 C ATOM 1134 CG PHE A 73 12.566 13.967 -0.512 1.00 0.58 C ATOM 1135 CD1 PHE A 73 13.075 12.673 -0.539 1.00 1.24 C ATOM 1136 CD2 PHE A 73 12.728 14.752 -1.644 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.715 12.179 -1.657 1.00 1.31 C ATOM 1138 CE2 PHE A 73 13.371 14.263 -2.764 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.864 12.975 -2.772 1.00 0.86 C ATOM 0 H PHE A 73 11.614 12.000 1.438 1.00 0.60 H new ATOM 0 HA PHE A 73 10.143 14.489 1.986 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.552 15.566 0.448 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.565 14.610 1.511 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.967 12.043 0.332 1.00 1.24 H new ATOM 0 HD2 PHE A 73 12.345 15.762 -1.650 1.00 1.36 H new ATOM 0 HE1 PHE A 73 14.099 11.170 -1.658 1.00 1.31 H new ATOM 0 HE2 PHE A 73 13.488 14.890 -3.635 1.00 1.44 H new ATOM 0 HZ PHE A 73 14.365 12.592 -3.649 1.00 0.86 H new ATOM 1149 N SER A 74 9.647 13.750 -1.112 1.00 0.48 N ATOM 1150 CA SER A 74 8.518 13.678 -2.062 1.00 0.46 C ATOM 1151 C SER A 74 8.538 12.485 -2.972 1.00 0.42 C ATOM 1152 O SER A 74 7.660 12.340 -3.822 1.00 0.47 O ATOM 1153 CB SER A 74 8.460 14.931 -2.932 1.00 0.60 C ATOM 1154 OG SER A 74 9.754 15.482 -3.117 1.00 1.01 O ATOM 0 H SER A 74 10.564 13.884 -1.539 1.00 0.48 H new ATOM 0 HA SER A 74 7.637 13.589 -1.427 1.00 0.46 H new ATOM 0 HB2 SER A 74 8.023 14.686 -3.900 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.809 15.671 -2.467 1.00 0.60 H new ATOM 0 HG SER A 74 9.691 16.283 -3.679 1.00 1.01 H new ATOM 1160 N GLU A 75 9.500 11.629 -2.813 1.00 0.43 N ATOM 1161 CA GLU A 75 9.565 10.464 -3.670 1.00 0.42 C ATOM 1162 C GLU A 75 8.633 9.334 -3.197 1.00 0.42 C ATOM 1163 O GLU A 75 8.765 8.187 -3.624 1.00 0.55 O ATOM 1164 CB GLU A 75 11.007 9.992 -3.772 1.00 0.44 C ATOM 1165 CG GLU A 75 11.968 11.075 -4.230 1.00 0.60 C ATOM 1166 CD GLU A 75 11.750 11.482 -5.673 1.00 0.93 C ATOM 1167 OE1 GLU A 75 11.995 10.647 -6.570 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.335 12.636 -5.907 1.00 1.42 O ATOM 0 H GLU A 75 10.241 11.703 -2.116 1.00 0.43 H new ATOM 0 HA GLU A 75 9.211 10.749 -4.660 1.00 0.42 H new ATOM 0 HB2 GLU A 75 11.329 9.620 -2.799 1.00 0.44 H new ATOM 0 HB3 GLU A 75 11.058 9.154 -4.467 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.854 11.950 -3.590 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.992 10.721 -4.108 1.00 0.60 H new ATOM 1175 N TYR A 76 7.689 9.675 -2.311 1.00 0.38 N ATOM 1176 CA TYR A 76 6.751 8.713 -1.753 1.00 0.38 C ATOM 1177 C TYR A 76 5.975 8.019 -2.836 1.00 0.39 C ATOM 1178 O TYR A 76 5.496 6.908 -2.660 1.00 0.43 O ATOM 1179 CB TYR A 76 5.808 9.393 -0.751 1.00 0.40 C ATOM 1180 CG TYR A 76 6.188 9.218 0.702 1.00 0.41 C ATOM 1181 CD1 TYR A 76 7.018 8.191 1.104 1.00 1.29 C ATOM 1182 CD2 TYR A 76 5.739 10.107 1.667 1.00 1.22 C ATOM 1183 CE1 TYR A 76 7.386 8.030 2.402 1.00 1.30 C ATOM 1184 CE2 TYR A 76 6.107 9.957 2.991 1.00 1.25 C ATOM 1185 CZ TYR A 76 6.933 8.914 3.356 1.00 0.49 C ATOM 1186 OH TYR A 76 7.302 8.759 4.672 1.00 0.55 O ATOM 0 H TYR A 76 7.560 10.626 -1.966 1.00 0.38 H new ATOM 0 HA TYR A 76 7.325 7.955 -1.220 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.771 10.459 -0.976 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.802 9.001 -0.898 1.00 0.40 H new ATOM 0 HD1 TYR A 76 7.386 7.495 0.365 1.00 1.29 H new ATOM 0 HD2 TYR A 76 5.095 10.925 1.381 1.00 1.22 H new ATOM 0 HE1 TYR A 76 8.032 7.212 2.685 1.00 1.30 H new ATOM 0 HE2 TYR A 76 5.750 10.653 3.736 1.00 1.25 H new ATOM 0 HH TYR A 76 8.242 8.485 4.718 1.00 0.55 H new ATOM 1196 N TRP A 77 5.879 8.646 -3.980 1.00 0.39 N ATOM 1197 CA TRP A 77 5.206 8.007 -5.089 1.00 0.43 C ATOM 1198 C TRP A 77 5.960 6.719 -5.444 1.00 0.45 C ATOM 1199 O TRP A 77 5.473 5.906 -6.225 1.00 0.49 O ATOM 1200 CB TRP A 77 5.160 8.931 -6.297 1.00 0.44 C ATOM 1201 CG TRP A 77 6.524 9.279 -6.773 1.00 0.44 C ATOM 1202 CD1 TRP A 77 7.436 8.422 -7.302 1.00 0.49 C ATOM 1203 CD2 TRP A 77 7.142 10.564 -6.741 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.591 9.092 -7.599 1.00 0.52 N ATOM 1205 CE2 TRP A 77 8.435 10.415 -7.269 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.726 11.826 -6.320 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 9.319 11.486 -7.385 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.598 12.889 -6.434 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.882 12.715 -6.964 1.00 0.55 C ATOM 0 H TRP A 77 6.248 9.578 -4.170 1.00 0.39 H new ATOM 0 HA TRP A 77 4.180 7.775 -4.803 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.605 8.450 -7.102 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.621 9.842 -6.038 1.00 0.44 H new ATOM 0 HD1 TRP A 77 7.273 7.367 -7.464 1.00 0.49 H new ATOM 0 HE1 TRP A 77 9.431 8.676 -8.000 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.737 11.969 -5.911 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 10.311 11.353 -7.791 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.285 13.870 -6.109 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.542 13.567 -7.043 1.00 0.55 H new ATOM 1220 N ARG A 78 7.168 6.540 -4.866 1.00 0.43 N ATOM 1221 CA ARG A 78 7.968 5.359 -5.113 1.00 0.47 C ATOM 1222 C ARG A 78 7.423 4.202 -4.297 1.00 0.49 C ATOM 1223 O ARG A 78 7.398 3.062 -4.760 1.00 0.61 O ATOM 1224 CB ARG A 78 9.427 5.665 -4.773 1.00 0.50 C ATOM 1225 CG ARG A 78 10.003 6.758 -5.651 1.00 0.60 C ATOM 1226 CD ARG A 78 10.775 6.186 -6.827 1.00 0.77 C ATOM 1227 NE ARG A 78 9.909 5.448 -7.741 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.353 4.557 -8.622 1.00 1.75 C ATOM 1229 NH1 ARG A 78 11.650 4.290 -8.702 1.00 1.37 N ATOM 1230 NH2 ARG A 78 9.501 3.933 -9.423 1.00 2.82 N ATOM 0 H ARG A 78 7.596 7.210 -4.227 1.00 0.43 H new ATOM 0 HA ARG A 78 7.920 5.073 -6.164 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.499 5.965 -3.728 1.00 0.50 H new ATOM 0 HB3 ARG A 78 10.022 4.759 -4.886 1.00 0.50 H new ATOM 0 HG2 ARG A 78 9.196 7.392 -6.019 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.661 7.392 -5.057 1.00 0.60 H new ATOM 0 HD2 ARG A 78 11.266 6.996 -7.367 1.00 0.77 H new ATOM 0 HD3 ARG A 78 11.560 5.526 -6.459 1.00 0.77 H new ATOM 0 HE ARG A 78 8.905 5.626 -7.702 1.00 1.48 H new ATOM 0 HH11 ARG A 78 12.308 4.769 -8.087 1.00 1.37 H new ATOM 0 HH12 ARG A 78 11.989 3.606 -9.378 1.00 1.37 H new ATOM 0 HH21 ARG A 78 8.503 4.136 -9.364 1.00 2.82 H new ATOM 0 HH22 ARG A 78 9.843 3.250 -10.098 1.00 2.82 H new ATOM 1244 N LEU A 79 6.988 4.497 -3.074 1.00 0.43 N ATOM 1245 CA LEU A 79 6.383 3.467 -2.247 1.00 0.46 C ATOM 1246 C LEU A 79 5.061 3.027 -2.871 1.00 0.47 C ATOM 1247 O LEU A 79 4.529 1.966 -2.543 1.00 0.53 O ATOM 1248 CB LEU A 79 6.088 3.914 -0.805 1.00 0.55 C ATOM 1249 CG LEU A 79 6.609 5.267 -0.327 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.689 5.764 0.778 1.00 1.24 C ATOM 1251 CD2 LEU A 79 8.035 5.156 0.180 1.00 0.89 C ATOM 0 H LEU A 79 7.043 5.421 -2.645 1.00 0.43 H new ATOM 0 HA LEU A 79 7.112 2.658 -2.201 1.00 0.46 H new ATOM 0 HB2 LEU A 79 5.006 3.914 -0.676 1.00 0.55 H new ATOM 0 HB3 LEU A 79 6.489 3.152 -0.136 1.00 0.55 H new ATOM 0 HG LEU A 79 6.616 5.971 -1.159 1.00 0.63 H new ATOM 0 HD11 LEU A 79 6.041 6.731 1.137 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.676 5.868 0.389 1.00 1.24 H new ATOM 0 HD13 LEU A 79 5.690 5.049 1.601 1.00 1.24 H new ATOM 0 HD21 LEU A 79 8.380 6.135 0.514 1.00 0.89 H new ATOM 0 HD22 LEU A 79 8.071 4.455 1.014 1.00 0.89 H new ATOM 0 HD23 LEU A 79 8.680 4.799 -0.623 1.00 0.89 H new ATOM 1263 N ILE A 80 4.535 3.850 -3.774 1.00 0.46 N ATOM 1264 CA ILE A 80 3.263 3.578 -4.416 1.00 0.49 C ATOM 1265 C ILE A 80 3.119 2.111 -4.840 1.00 0.49 C ATOM 1266 O ILE A 80 2.152 1.448 -4.466 1.00 0.51 O ATOM 1267 CB ILE A 80 3.027 4.555 -5.603 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.532 4.779 -5.834 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.677 4.055 -6.875 1.00 0.57 C ATOM 1270 CD1 ILE A 80 1.232 5.843 -6.868 1.00 1.16 C ATOM 0 H ILE A 80 4.979 4.717 -4.076 1.00 0.46 H new ATOM 0 HA ILE A 80 2.481 3.752 -3.677 1.00 0.49 H new ATOM 0 HB ILE A 80 3.491 5.505 -5.336 1.00 0.53 H new ATOM 0 HG12 ILE A 80 1.077 3.840 -6.148 1.00 0.60 H new ATOM 0 HG13 ILE A 80 1.065 5.059 -4.890 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.490 4.764 -7.682 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.751 3.956 -6.720 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.258 3.084 -7.141 1.00 0.57 H new ATOM 0 HD11 ILE A 80 0.153 5.948 -6.980 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.658 6.793 -6.546 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.669 5.555 -7.824 1.00 1.16 H new ATOM 1282 N GLY A 81 4.069 1.608 -5.618 1.00 0.48 N ATOM 1283 CA GLY A 81 4.018 0.219 -6.039 1.00 0.49 C ATOM 1284 C GLY A 81 4.536 -0.717 -4.968 1.00 0.43 C ATOM 1285 O GLY A 81 4.468 -1.937 -5.115 1.00 0.43 O ATOM 0 H GLY A 81 4.871 2.134 -5.965 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.991 -0.047 -6.287 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.608 0.093 -6.947 1.00 0.49 H new ATOM 1289 N GLU A 82 5.040 -0.147 -3.877 1.00 0.41 N ATOM 1290 CA GLU A 82 5.603 -0.945 -2.791 1.00 0.39 C ATOM 1291 C GLU A 82 4.527 -1.486 -1.871 1.00 0.33 C ATOM 1292 O GLU A 82 4.342 -2.697 -1.756 1.00 0.34 O ATOM 1293 CB GLU A 82 6.574 -0.109 -1.973 1.00 0.43 C ATOM 1294 CG GLU A 82 7.752 0.437 -2.775 1.00 0.46 C ATOM 1295 CD GLU A 82 8.621 -0.659 -3.360 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.179 -1.456 -2.576 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.750 -0.717 -4.600 1.00 1.47 O ATOM 0 H GLU A 82 5.070 0.861 -3.721 1.00 0.41 H new ATOM 0 HA GLU A 82 6.123 -1.787 -3.248 1.00 0.39 H new ATOM 0 HB2 GLU A 82 6.033 0.726 -1.528 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.957 -0.715 -1.152 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.376 1.066 -3.582 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.360 1.073 -2.132 1.00 0.46 H new ATOM 1304 N LEU A 83 3.827 -0.579 -1.197 1.00 0.34 N ATOM 1305 CA LEU A 83 2.777 -0.963 -0.265 1.00 0.35 C ATOM 1306 C LEU A 83 1.866 -2.010 -0.882 1.00 0.35 C ATOM 1307 O LEU A 83 1.243 -2.804 -0.177 1.00 0.43 O ATOM 1308 CB LEU A 83 1.977 0.264 0.166 1.00 0.43 C ATOM 1309 CG LEU A 83 2.269 0.753 1.585 1.00 0.50 C ATOM 1310 CD1 LEU A 83 1.524 2.047 1.868 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.889 -0.313 2.601 1.00 1.31 C ATOM 0 H LEU A 83 3.969 0.428 -1.280 1.00 0.34 H new ATOM 0 HA LEU A 83 3.242 -1.400 0.619 1.00 0.35 H new ATOM 0 HB2 LEU A 83 2.180 1.076 -0.532 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.915 0.034 0.087 1.00 0.43 H new ATOM 0 HG LEU A 83 3.338 0.947 1.670 1.00 0.50 H new ATOM 0 HD11 LEU A 83 1.744 2.379 2.882 1.00 1.26 H new ATOM 0 HD12 LEU A 83 1.841 2.812 1.159 1.00 1.26 H new ATOM 0 HD13 LEU A 83 0.452 1.879 1.766 1.00 1.26 H new ATOM 0 HD21 LEU A 83 2.103 0.050 3.606 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.826 -0.536 2.514 1.00 1.31 H new ATOM 0 HD23 LEU A 83 2.466 -1.218 2.412 1.00 1.31 H new ATOM 1323 N ALA A 84 1.795 -2.004 -2.206 1.00 0.34 N ATOM 1324 CA ALA A 84 0.981 -2.964 -2.921 1.00 0.37 C ATOM 1325 C ALA A 84 1.696 -4.301 -3.066 1.00 0.41 C ATOM 1326 O ALA A 84 1.062 -5.354 -3.043 1.00 0.48 O ATOM 1327 CB ALA A 84 0.601 -2.415 -4.280 1.00 0.42 C ATOM 0 H ALA A 84 2.293 -1.343 -2.802 1.00 0.34 H new ATOM 0 HA ALA A 84 0.074 -3.136 -2.342 1.00 0.37 H new ATOM 0 HB1 ALA A 84 -0.011 -3.145 -4.809 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.036 -1.491 -4.154 1.00 0.42 H new ATOM 0 HB3 ALA A 84 1.504 -2.213 -4.856 1.00 0.42 H new ATOM 1333 N LYS A 85 3.020 -4.259 -3.214 1.00 0.42 N ATOM 1334 CA LYS A 85 3.800 -5.483 -3.341 1.00 0.51 C ATOM 1335 C LYS A 85 3.588 -6.386 -2.135 1.00 0.50 C ATOM 1336 O LYS A 85 3.952 -7.557 -2.154 1.00 0.67 O ATOM 1337 CB LYS A 85 5.275 -5.172 -3.586 1.00 0.62 C ATOM 1338 CG LYS A 85 5.560 -4.944 -5.065 1.00 1.18 C ATOM 1339 CD LYS A 85 7.024 -4.668 -5.347 1.00 1.42 C ATOM 1340 CE LYS A 85 7.468 -3.350 -4.750 1.00 1.55 C ATOM 1341 NZ LYS A 85 6.932 -2.202 -5.528 1.00 2.69 N ATOM 0 H LYS A 85 3.567 -3.399 -3.248 1.00 0.42 H new ATOM 0 HA LYS A 85 3.446 -6.030 -4.215 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.560 -4.286 -3.019 1.00 0.62 H new ATOM 0 HB3 LYS A 85 5.887 -5.996 -3.219 1.00 0.62 H new ATOM 0 HG2 LYS A 85 5.245 -5.821 -5.630 1.00 1.18 H new ATOM 0 HG3 LYS A 85 4.962 -4.105 -5.420 1.00 1.18 H new ATOM 0 HD2 LYS A 85 7.632 -5.476 -4.940 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.191 -4.655 -6.424 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.129 -3.283 -3.716 1.00 1.55 H new ATOM 0 HE3 LYS A 85 8.557 -3.304 -4.732 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 7.180 -1.312 -5.050 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 7.343 -2.208 -6.483 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 5.897 -2.281 -5.596 1.00 2.69 H new ATOM 1355 N GLU A 86 3.025 -5.829 -1.071 1.00 0.45 N ATOM 1356 CA GLU A 86 2.703 -6.611 0.109 1.00 0.45 C ATOM 1357 C GLU A 86 1.377 -7.314 -0.113 1.00 0.44 C ATOM 1358 O GLU A 86 1.253 -8.523 0.070 1.00 0.46 O ATOM 1359 CB GLU A 86 2.602 -5.727 1.349 1.00 0.48 C ATOM 1360 CG GLU A 86 3.493 -4.516 1.314 1.00 0.98 C ATOM 1361 CD GLU A 86 4.955 -4.868 1.140 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.257 -5.766 0.326 1.00 2.61 O ATOM 1363 OE2 GLU A 86 5.796 -4.240 1.814 1.00 2.91 O ATOM 0 H GLU A 86 2.783 -4.840 -1.003 1.00 0.45 H new ATOM 0 HA GLU A 86 3.500 -7.337 0.272 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.569 -5.401 1.467 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.850 -6.322 2.228 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.181 -3.865 0.497 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.367 -3.951 2.238 1.00 0.98 H new ATOM 1370 N VAL A 87 0.385 -6.528 -0.520 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.947 -7.042 -0.775 1.00 0.46 C ATOM 1372 C VAL A 87 -1.009 -7.845 -2.073 1.00 0.47 C ATOM 1373 O VAL A 87 -2.023 -8.477 -2.368 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.987 -5.902 -0.818 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.365 -6.444 -1.144 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -2.002 -5.150 0.503 1.00 0.81 C ATOM 0 H VAL A 87 0.485 -5.526 -0.680 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.188 -7.710 0.052 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.703 -5.206 -1.607 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -4.082 -5.624 -1.169 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -3.342 -6.936 -2.117 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.663 -7.163 -0.381 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.740 -4.349 0.457 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.260 -5.836 1.309 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -1.016 -4.724 0.691 1.00 0.81 H new ATOM 1386 N ARG A 88 0.074 -7.836 -2.839 1.00 0.50 N ATOM 1387 CA ARG A 88 0.097 -8.569 -4.101 1.00 0.52 C ATOM 1388 C ARG A 88 0.066 -10.080 -3.871 1.00 0.50 C ATOM 1389 O ARG A 88 -0.935 -10.733 -4.162 1.00 0.59 O ATOM 1390 CB ARG A 88 1.319 -8.164 -4.922 1.00 0.56 C ATOM 1391 CG ARG A 88 1.146 -8.389 -6.416 1.00 0.67 C ATOM 1392 CD ARG A 88 0.875 -9.849 -6.742 1.00 1.33 C ATOM 1393 NE ARG A 88 1.926 -10.729 -6.239 1.00 1.83 N ATOM 1394 CZ ARG A 88 1.919 -12.049 -6.397 1.00 2.72 C ATOM 1395 NH1 ARG A 88 0.918 -12.638 -7.038 1.00 3.25 N ATOM 1396 NH2 ARG A 88 2.913 -12.782 -5.915 1.00 3.50 N ATOM 0 H ARG A 88 0.936 -7.338 -2.615 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.801 -8.309 -4.662 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.534 -7.110 -4.744 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.184 -8.729 -4.575 1.00 0.56 H new ATOM 0 HG2 ARG A 88 0.322 -7.776 -6.782 1.00 0.67 H new ATOM 0 HG3 ARG A 88 2.044 -8.061 -6.939 1.00 0.67 H new ATOM 0 HD2 ARG A 88 -0.082 -10.145 -6.311 1.00 1.33 H new ATOM 0 HD3 ARG A 88 0.789 -9.969 -7.822 1.00 1.33 H new ATOM 0 HE ARG A 88 2.709 -10.308 -5.739 1.00 1.83 H new ATOM 0 HH11 ARG A 88 0.151 -12.078 -7.411 1.00 3.25 H new ATOM 0 HH12 ARG A 88 0.915 -13.651 -7.158 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.685 -12.333 -5.422 1.00 3.50 H new ATOM 0 HH22 ARG A 88 2.906 -13.795 -6.037 1.00 3.50 H new ATOM 1410 N LYS A 89 1.156 -10.636 -3.350 1.00 0.47 N ATOM 1411 CA LYS A 89 1.209 -12.070 -3.075 1.00 0.49 C ATOM 1412 C LYS A 89 0.163 -12.405 -2.037 1.00 0.49 C ATOM 1413 O LYS A 89 -0.440 -13.477 -2.053 1.00 0.55 O ATOM 1414 CB LYS A 89 2.589 -12.494 -2.564 1.00 0.56 C ATOM 1415 CG LYS A 89 3.158 -11.572 -1.499 1.00 0.70 C ATOM 1416 CD LYS A 89 4.459 -10.919 -1.960 1.00 1.55 C ATOM 1417 CE LYS A 89 4.318 -10.218 -3.308 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.626 -9.729 -3.821 1.00 3.29 N ATOM 0 H LYS A 89 2.005 -10.124 -3.112 1.00 0.47 H new ATOM 0 HA LYS A 89 1.016 -12.608 -4.003 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.522 -13.504 -2.159 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.281 -12.533 -3.405 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.428 -10.800 -1.257 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.338 -12.138 -0.585 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.784 -10.197 -1.211 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.238 -11.678 -2.029 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.880 -10.906 -4.031 1.00 2.44 H new ATOM 0 HE3 LYS A 89 3.630 -9.378 -3.210 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 5.464 -9.025 -4.569 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 6.162 -9.292 -3.044 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 6.167 -10.528 -4.209 1.00 3.29 H new ATOM 1432 N GLU A 90 -0.038 -11.459 -1.133 1.00 0.47 N ATOM 1433 CA GLU A 90 -1.017 -11.599 -0.080 1.00 0.52 C ATOM 1434 C GLU A 90 -2.418 -11.756 -0.663 1.00 0.55 C ATOM 1435 O GLU A 90 -3.344 -12.164 0.037 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.938 -10.392 0.847 1.00 0.55 C ATOM 1437 CG GLU A 90 0.301 -10.398 1.724 1.00 0.62 C ATOM 1438 CD GLU A 90 0.339 -11.580 2.673 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.230 -11.471 3.779 1.00 1.95 O ATOM 1440 OE2 GLU A 90 0.938 -12.613 2.309 1.00 1.97 O ATOM 0 H GLU A 90 0.474 -10.577 -1.113 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.801 -12.499 0.496 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.949 -9.480 0.249 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.825 -10.369 1.480 1.00 0.55 H new ATOM 0 HG2 GLU A 90 1.189 -10.416 1.092 1.00 0.62 H new ATOM 0 HG3 GLU A 90 0.338 -9.473 2.300 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.575 -11.430 -1.951 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.865 -11.568 -2.610 1.00 0.61 C ATOM 1449 C LYS A 91 -4.385 -12.987 -2.418 1.00 0.63 C ATOM 1450 O LYS A 91 -5.536 -13.202 -2.036 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.758 -11.226 -4.101 1.00 0.62 C ATOM 1452 CG LYS A 91 -3.120 -12.312 -4.952 1.00 0.61 C ATOM 1453 CD LYS A 91 -3.017 -11.883 -6.408 1.00 0.67 C ATOM 1454 CE LYS A 91 -2.508 -13.013 -7.288 1.00 0.70 C ATOM 1455 NZ LYS A 91 -3.444 -14.171 -7.301 1.00 1.38 N ATOM 0 H LYS A 91 -1.829 -11.073 -2.547 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.568 -10.867 -2.160 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.757 -11.020 -4.486 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -3.179 -10.309 -4.210 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -2.127 -12.542 -4.567 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.709 -13.226 -4.881 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.995 -11.557 -6.762 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -2.347 -11.027 -6.490 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -2.369 -12.647 -8.305 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -1.531 -13.340 -6.931 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -3.224 -14.786 -8.110 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -3.341 -14.711 -6.418 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -4.422 -13.826 -7.384 1.00 1.38 H new ATOM 1469 N ALA A 92 -3.514 -13.946 -2.691 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.837 -15.361 -2.537 1.00 0.66 C ATOM 1471 C ALA A 92 -3.695 -15.817 -1.089 1.00 0.64 C ATOM 1472 O ALA A 92 -4.228 -16.855 -0.707 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.962 -16.205 -3.453 1.00 0.75 C ATOM 0 H ALA A 92 -2.566 -13.769 -3.024 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.880 -15.497 -2.821 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -3.214 -17.258 -3.328 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -3.131 -15.912 -4.489 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.913 -16.050 -3.199 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.944 -15.071 -0.291 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.786 -15.421 1.117 1.00 0.66 C ATOM 1481 C LEU A 93 -3.966 -14.921 1.923 1.00 0.59 C ATOM 1482 O LEU A 93 -4.294 -15.480 2.970 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.485 -14.879 1.702 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.037 -15.635 2.950 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.034 -16.658 2.603 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -0.537 -14.669 4.013 1.00 0.95 C ATOM 0 H LEU A 93 -2.442 -14.234 -0.586 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.745 -16.509 1.175 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.701 -14.936 0.947 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.614 -13.825 1.948 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.898 -16.168 3.354 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.339 -17.186 3.506 1.00 1.03 H new ATOM 0 HD12 LEU A 93 -0.365 -17.372 1.883 1.00 1.03 H new ATOM 0 HD13 LEU A 93 0.896 -16.150 2.171 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.223 -15.228 4.894 1.00 0.95 H new ATOM 0 HD22 LEU A 93 0.308 -14.103 3.622 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -1.338 -13.982 4.286 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.609 -13.865 1.439 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.762 -13.333 2.135 1.00 0.52 C ATOM 1500 C GLY A 94 -6.745 -14.423 2.480 1.00 0.52 C ATOM 1501 O GLY A 94 -7.370 -14.401 3.540 1.00 0.57 O ATOM 0 H GLY A 94 -4.354 -13.372 0.583 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.439 -12.830 3.046 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.251 -12.583 1.513 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.880 -15.386 1.574 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.791 -16.498 1.779 1.00 0.57 C ATOM 1507 C ILE A 95 -7.270 -17.452 2.828 1.00 0.61 C ATOM 1508 O ILE A 95 -7.061 -18.635 2.559 1.00 0.67 O ATOM 1509 CB ILE A 95 -8.050 -17.278 0.482 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.737 -17.699 -0.167 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.840 -16.425 -0.464 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.879 -18.857 -1.129 1.00 1.68 C ATOM 0 H ILE A 95 -6.369 -15.416 0.692 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.730 -16.061 2.120 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.616 -18.179 0.721 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -6.315 -16.846 -0.698 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -6.027 -17.972 0.614 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -9.024 -16.978 -1.385 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.792 -16.158 -0.005 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -8.279 -15.518 -0.691 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.904 -19.101 -1.552 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -7.272 -19.725 -0.599 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.564 -18.582 -1.931 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.055 -16.940 4.027 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.593 -17.775 5.113 1.00 0.74 C ATOM 1526 C ARG A 96 -7.623 -18.882 5.347 1.00 0.82 C ATOM 1527 O ARG A 96 -7.323 -19.923 5.933 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.384 -16.928 6.358 1.00 0.84 C ATOM 1529 CG ARG A 96 -5.093 -16.128 6.343 1.00 1.65 C ATOM 1530 CD ARG A 96 -5.376 -14.638 6.228 1.00 2.45 C ATOM 1531 NE ARG A 96 -6.203 -14.156 7.333 1.00 2.91 N ATOM 1532 CZ ARG A 96 -6.745 -12.942 7.378 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -6.553 -12.088 6.382 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -7.482 -12.581 8.420 1.00 4.48 N ATOM 0 H ARG A 96 -7.192 -15.959 4.269 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.636 -18.235 4.866 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.225 -16.242 6.465 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.388 -17.577 7.233 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -4.528 -16.325 7.254 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -4.472 -16.449 5.507 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.434 -14.089 6.212 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -5.879 -14.435 5.282 1.00 2.45 H new ATOM 0 HE ARG A 96 -6.374 -14.788 8.115 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -5.988 -12.361 5.578 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -6.970 -11.158 6.420 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -7.634 -13.235 9.188 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -7.897 -11.650 8.453 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.852 -18.627 4.878 1.00 0.83 N ATOM 1549 CA LYS A 97 -9.939 -19.598 4.962 1.00 0.95 C ATOM 1550 C LYS A 97 -9.840 -20.540 3.772 1.00 0.94 C ATOM 1551 O LYS A 97 -10.518 -20.357 2.761 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.324 -18.910 4.960 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.330 -17.500 4.367 1.00 0.99 C ATOM 1554 CD LYS A 97 -10.892 -16.486 5.408 1.00 1.56 C ATOM 1555 CE LYS A 97 -10.617 -15.132 4.786 1.00 1.85 C ATOM 1556 NZ LYS A 97 -10.384 -14.088 5.821 1.00 2.92 N ATOM 0 H LYS A 97 -9.114 -17.747 4.434 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.843 -20.145 5.900 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.023 -19.530 4.398 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.693 -18.861 5.984 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.663 -17.458 3.506 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.329 -17.254 4.008 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -11.666 -16.387 6.169 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -9.994 -16.845 5.911 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -9.745 -15.201 4.136 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.460 -14.841 4.159 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -9.764 -13.348 5.434 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.293 -13.667 6.100 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -9.932 -14.519 6.653 1.00 2.92 H new ATOM 1570 N LYS A 98 -8.986 -21.546 3.897 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.782 -22.510 2.825 1.00 1.06 C ATOM 1572 C LYS A 98 -9.351 -23.875 3.201 1.00 1.22 C ATOM 1573 O LYS A 98 -10.540 -24.120 2.910 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.290 -22.631 2.500 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.626 -21.306 2.139 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.247 -21.524 1.537 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.599 -20.208 1.143 1.00 2.00 C ATOM 1578 NZ LYS A 98 -3.231 -20.405 0.591 1.00 2.74 N ATOM 1579 OXT LYS A 98 -8.602 -24.686 3.785 1.00 1.70 O ATOM 0 H LYS A 98 -8.423 -21.716 4.730 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.311 -22.153 1.941 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -6.775 -23.062 3.359 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.164 -23.327 1.671 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.253 -20.764 1.431 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.542 -20.684 3.030 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.613 -22.043 2.256 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.328 -22.168 0.661 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -5.220 -19.705 0.402 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.548 -19.554 2.013 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.824 -19.483 0.335 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.630 -20.862 1.307 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.281 -21.008 -0.255 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.683 -3.901 -2.898 1.00 0.65 N ATOM 1595 CA MET B 1 17.826 -5.089 -3.151 1.00 0.59 C ATOM 1596 C MET B 1 16.566 -4.709 -3.909 1.00 0.59 C ATOM 1597 O MET B 1 16.293 -3.533 -4.152 1.00 0.60 O ATOM 1598 CB MET B 1 17.415 -5.741 -1.828 1.00 0.58 C ATOM 1599 CG MET B 1 18.248 -6.946 -1.405 1.00 0.60 C ATOM 1600 SD MET B 1 20.012 -6.769 -1.765 1.00 0.94 S ATOM 1601 CE MET B 1 20.456 -8.453 -2.196 1.00 1.18 C ATOM 0 H1 MET B 1 19.643 -4.213 -2.647 1.00 0.65 H new ATOM 0 H2 MET B 1 18.723 -3.313 -3.755 1.00 0.65 H new ATOM 0 H3 MET B 1 18.284 -3.345 -2.115 1.00 0.65 H new ATOM 0 HA MET B 1 18.410 -5.787 -3.750 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.468 -4.989 -1.040 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.372 -6.050 -1.903 1.00 0.58 H new ATOM 0 HG2 MET B 1 18.119 -7.109 -0.335 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.870 -7.834 -1.911 1.00 0.60 H new ATOM 0 HE1 MET B 1 21.339 -8.752 -1.631 1.00 1.18 H new ATOM 0 HE2 MET B 1 19.628 -9.120 -1.956 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.671 -8.511 -3.263 1.00 1.18 H new ATOM 1613 N ALA B 2 15.818 -5.728 -4.298 1.00 0.61 N ATOM 1614 CA ALA B 2 14.557 -5.542 -4.997 1.00 0.64 C ATOM 1615 C ALA B 2 13.405 -6.010 -4.121 1.00 0.62 C ATOM 1616 O ALA B 2 13.611 -6.768 -3.175 1.00 0.71 O ATOM 1617 CB ALA B 2 14.541 -6.285 -6.324 1.00 0.72 C ATOM 0 H ALA B 2 16.066 -6.704 -4.139 1.00 0.61 H new ATOM 0 HA ALA B 2 14.443 -4.479 -5.209 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.584 -6.124 -6.820 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.345 -5.913 -6.959 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.683 -7.351 -6.146 1.00 0.72 H new ATOM 1623 N ALA B 3 12.200 -5.557 -4.418 1.00 0.73 N ATOM 1624 CA ALA B 3 11.042 -5.985 -3.651 1.00 0.75 C ATOM 1625 C ALA B 3 10.773 -7.449 -3.937 1.00 0.65 C ATOM 1626 O ALA B 3 10.066 -7.790 -4.885 1.00 0.81 O ATOM 1627 CB ALA B 3 9.831 -5.147 -3.997 1.00 1.04 C ATOM 0 H ALA B 3 11.998 -4.902 -5.174 1.00 0.73 H new ATOM 0 HA ALA B 3 11.246 -5.853 -2.588 1.00 0.75 H new ATOM 0 HB1 ALA B 3 8.976 -5.484 -3.412 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.036 -4.101 -3.770 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.608 -5.251 -5.059 1.00 1.04 H new ATOM 1633 N GLU B 4 11.348 -8.314 -3.115 1.00 0.62 N ATOM 1634 CA GLU B 4 11.181 -9.741 -3.295 1.00 0.75 C ATOM 1635 C GLU B 4 9.724 -10.124 -3.015 1.00 0.74 C ATOM 1636 O GLU B 4 8.854 -9.842 -3.840 1.00 0.86 O ATOM 1637 CB GLU B 4 12.181 -10.500 -2.397 1.00 0.97 C ATOM 1638 CG GLU B 4 12.033 -12.026 -2.371 1.00 1.45 C ATOM 1639 CD GLU B 4 11.138 -12.590 -3.461 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.368 -12.269 -4.646 1.00 3.02 O ATOM 1641 OE2 GLU B 4 10.203 -13.338 -3.122 1.00 3.20 O ATOM 0 H GLU B 4 11.931 -8.050 -2.321 1.00 0.62 H new ATOM 0 HA GLU B 4 11.398 -10.024 -4.325 1.00 0.75 H new ATOM 0 HB2 GLU B 4 13.191 -10.258 -2.726 1.00 0.97 H new ATOM 0 HB3 GLU B 4 12.080 -10.127 -1.378 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.022 -12.476 -2.461 1.00 1.45 H new ATOM 0 HG3 GLU B 4 11.635 -12.323 -1.401 1.00 1.45 H new ATOM 1648 N THR B 5 9.435 -10.757 -1.882 1.00 0.70 N ATOM 1649 CA THR B 5 8.060 -11.121 -1.584 1.00 0.75 C ATOM 1650 C THR B 5 7.286 -9.953 -0.963 1.00 0.62 C ATOM 1651 O THR B 5 6.765 -9.098 -1.677 1.00 0.79 O ATOM 1652 CB THR B 5 7.991 -12.355 -0.668 1.00 0.92 C ATOM 1653 OG1 THR B 5 8.600 -13.465 -1.325 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.547 -12.692 -0.309 1.00 1.08 C ATOM 0 H THR B 5 10.118 -11.022 -1.172 1.00 0.70 H new ATOM 0 HA THR B 5 7.587 -11.372 -2.533 1.00 0.75 H new ATOM 0 HB THR B 5 8.525 -12.133 0.256 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.175 -13.141 -2.050 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.528 -13.568 0.339 1.00 1.08 H new ATOM 0 HG22 THR B 5 6.094 -11.847 0.210 1.00 1.08 H new ATOM 0 HG23 THR B 5 5.985 -12.902 -1.219 1.00 1.08 H new ATOM 1662 N LEU B 6 7.221 -9.908 0.364 1.00 0.54 N ATOM 1663 CA LEU B 6 6.490 -8.858 1.051 1.00 0.50 C ATOM 1664 C LEU B 6 7.446 -7.850 1.662 1.00 0.49 C ATOM 1665 O LEU B 6 8.106 -8.136 2.654 1.00 0.56 O ATOM 1666 CB LEU B 6 5.624 -9.462 2.157 1.00 0.60 C ATOM 1667 CG LEU B 6 4.678 -10.581 1.726 1.00 0.75 C ATOM 1668 CD1 LEU B 6 5.196 -11.930 2.201 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.281 -10.332 2.268 1.00 1.07 C ATOM 0 H LEU B 6 7.666 -10.587 0.981 1.00 0.54 H new ATOM 0 HA LEU B 6 5.857 -8.351 0.322 1.00 0.50 H new ATOM 0 HB2 LEU B 6 6.281 -9.848 2.937 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.032 -8.664 2.605 1.00 0.60 H new ATOM 0 HG LEU B 6 4.632 -10.592 0.637 1.00 0.75 H new ATOM 0 HD11 LEU B 6 4.509 -12.715 1.885 1.00 1.15 H new ATOM 0 HD12 LEU B 6 6.180 -12.114 1.771 1.00 1.15 H new ATOM 0 HD13 LEU B 6 5.270 -11.929 3.288 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.619 -11.138 1.952 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.314 -10.296 3.357 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.906 -9.383 1.885 1.00 1.07 H new ATOM 1681 N THR B 7 7.491 -6.652 1.113 1.00 0.50 N ATOM 1682 CA THR B 7 8.386 -5.650 1.650 1.00 0.53 C ATOM 1683 C THR B 7 7.947 -5.295 3.058 1.00 0.48 C ATOM 1684 O THR B 7 6.838 -5.624 3.467 1.00 0.55 O ATOM 1685 CB THR B 7 8.422 -4.378 0.773 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.272 -4.335 -0.080 1.00 0.83 O ATOM 1687 CG2 THR B 7 9.685 -4.322 -0.079 1.00 0.80 C ATOM 0 H THR B 7 6.932 -6.354 0.314 1.00 0.50 H new ATOM 0 HA THR B 7 9.394 -6.065 1.662 1.00 0.53 H new ATOM 0 HB THR B 7 8.419 -3.517 1.441 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.303 -3.525 -0.630 1.00 0.83 H new ATOM 0 HG21 THR B 7 9.677 -3.415 -0.683 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.561 -4.319 0.569 1.00 0.80 H new ATOM 0 HG23 THR B 7 9.721 -5.193 -0.733 1.00 0.80 H new ATOM 1695 N GLU B 8 8.820 -4.638 3.811 1.00 0.46 N ATOM 1696 CA GLU B 8 8.506 -4.259 5.188 1.00 0.45 C ATOM 1697 C GLU B 8 7.092 -3.698 5.306 1.00 0.41 C ATOM 1698 O GLU B 8 6.464 -3.769 6.362 1.00 0.42 O ATOM 1699 CB GLU B 8 9.488 -3.206 5.693 1.00 0.50 C ATOM 1700 CG GLU B 8 10.947 -3.510 5.392 1.00 0.52 C ATOM 1701 CD GLU B 8 11.357 -4.903 5.826 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.190 -5.848 5.026 1.00 1.94 O ATOM 1703 OE2 GLU B 8 11.846 -5.051 6.966 1.00 1.67 O ATOM 0 H GLU B 8 9.748 -4.356 3.496 1.00 0.46 H new ATOM 0 HA GLU B 8 8.583 -5.163 5.792 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.231 -2.245 5.248 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.367 -3.101 6.771 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.123 -3.401 4.322 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.578 -2.777 5.895 1.00 0.52 H new ATOM 1710 N LEU B 9 6.609 -3.139 4.209 1.00 0.41 N ATOM 1711 CA LEU B 9 5.288 -2.528 4.170 1.00 0.40 C ATOM 1712 C LEU B 9 4.184 -3.529 4.484 1.00 0.38 C ATOM 1713 O LEU B 9 3.112 -3.138 4.943 1.00 0.40 O ATOM 1714 CB LEU B 9 5.049 -1.829 2.820 1.00 0.46 C ATOM 1715 CG LEU B 9 6.304 -1.340 2.077 1.00 0.58 C ATOM 1716 CD1 LEU B 9 5.934 -0.296 1.046 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.357 -0.777 3.019 1.00 0.93 C ATOM 0 H LEU B 9 7.116 -3.095 3.325 1.00 0.41 H new ATOM 0 HA LEU B 9 5.255 -1.771 4.953 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.511 -2.518 2.168 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.395 -0.973 2.988 1.00 0.46 H new ATOM 0 HG LEU B 9 6.736 -2.211 1.583 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.833 0.040 0.529 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.240 -0.727 0.324 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.462 0.553 1.541 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.221 -0.447 2.443 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.941 0.069 3.566 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.665 -1.549 3.724 1.00 0.93 H new ATOM 1729 N GLU B 10 4.437 -4.817 4.262 1.00 0.38 N ATOM 1730 CA GLU B 10 3.439 -5.836 4.578 1.00 0.39 C ATOM 1731 C GLU B 10 3.051 -5.716 6.044 1.00 0.38 C ATOM 1732 O GLU B 10 1.942 -6.064 6.439 1.00 0.40 O ATOM 1733 CB GLU B 10 3.975 -7.234 4.288 1.00 0.45 C ATOM 1734 CG GLU B 10 5.401 -7.444 4.750 1.00 0.45 C ATOM 1735 CD GLU B 10 5.543 -8.629 5.685 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.326 -8.453 6.902 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.870 -9.732 5.200 1.00 1.16 O ATOM 0 H GLU B 10 5.308 -5.176 3.872 1.00 0.38 H new ATOM 0 HA GLU B 10 2.562 -5.678 3.951 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.333 -7.968 4.774 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.918 -7.421 3.216 1.00 0.45 H new ATOM 0 HG2 GLU B 10 6.042 -7.593 3.881 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.752 -6.544 5.255 1.00 0.45 H new ATOM 1744 N ALA B 11 3.987 -5.234 6.854 1.00 0.39 N ATOM 1745 CA ALA B 11 3.717 -5.023 8.264 1.00 0.39 C ATOM 1746 C ALA B 11 2.636 -3.968 8.395 1.00 0.36 C ATOM 1747 O ALA B 11 1.837 -3.982 9.331 1.00 0.39 O ATOM 1748 CB ALA B 11 4.978 -4.600 8.999 1.00 0.42 C ATOM 0 H ALA B 11 4.931 -4.985 6.558 1.00 0.39 H new ATOM 0 HA ALA B 11 3.376 -5.955 8.716 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.750 -4.448 10.054 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.735 -5.378 8.900 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.354 -3.671 8.571 1.00 0.42 H new ATOM 1754 N ALA B 12 2.625 -3.048 7.434 1.00 0.33 N ATOM 1755 CA ALA B 12 1.631 -1.995 7.402 1.00 0.32 C ATOM 1756 C ALA B 12 0.288 -2.565 6.980 1.00 0.33 C ATOM 1757 O ALA B 12 -0.762 -2.025 7.328 1.00 0.34 O ATOM 1758 CB ALA B 12 2.061 -0.880 6.464 1.00 0.34 C ATOM 0 H ALA B 12 3.298 -3.016 6.668 1.00 0.33 H new ATOM 0 HA ALA B 12 1.534 -1.573 8.402 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.301 -0.099 6.454 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.007 -0.461 6.807 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.184 -1.279 5.457 1.00 0.34 H new ATOM 1764 N ILE B 13 0.322 -3.667 6.226 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.909 -4.308 5.797 1.00 0.40 C ATOM 1766 C ILE B 13 -1.723 -4.734 7.029 1.00 0.39 C ATOM 1767 O ILE B 13 -2.919 -5.010 6.930 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.653 -5.516 4.844 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -0.378 -5.017 3.420 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -1.831 -6.490 4.822 1.00 0.99 C ATOM 1771 CD1 ILE B 13 0.597 -3.863 3.349 1.00 2.05 C ATOM 0 H ILE B 13 1.177 -4.123 5.908 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.482 -3.582 5.219 1.00 0.40 H new ATOM 0 HB ILE B 13 0.217 -6.049 5.226 1.00 0.47 H new ATOM 0 HG12 ILE B 13 0.010 -5.844 2.825 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.320 -4.711 2.965 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -1.608 -7.315 4.145 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -2.000 -6.880 5.826 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.726 -5.971 4.479 1.00 0.99 H new ATOM 0 HD11 ILE B 13 0.738 -3.569 2.309 1.00 2.05 H new ATOM 0 HD12 ILE B 13 0.203 -3.019 3.915 1.00 2.05 H new ATOM 0 HD13 ILE B 13 1.554 -4.169 3.772 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.059 -4.796 8.189 1.00 0.39 N ATOM 1784 CA GLU B 14 -1.722 -5.165 9.432 1.00 0.42 C ATOM 1785 C GLU B 14 -2.672 -4.060 9.886 1.00 0.38 C ATOM 1786 O GLU B 14 -3.716 -4.336 10.476 1.00 0.46 O ATOM 1787 CB GLU B 14 -0.686 -5.447 10.523 1.00 0.46 C ATOM 1788 CG GLU B 14 0.299 -6.546 10.160 1.00 0.79 C ATOM 1789 CD GLU B 14 -0.383 -7.871 9.876 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -0.852 -8.065 8.735 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -0.449 -8.714 10.795 1.00 2.02 O ATOM 0 H GLU B 14 -0.064 -4.594 8.286 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.303 -6.070 9.253 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.134 -4.531 10.733 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.204 -5.724 11.441 1.00 0.46 H new ATOM 0 HG2 GLU B 14 0.871 -6.241 9.284 1.00 0.79 H new ATOM 0 HG3 GLU B 14 1.010 -6.675 10.976 1.00 0.79 H new ATOM 1798 N THR B 15 -2.306 -2.806 9.622 1.00 0.30 N ATOM 1799 CA THR B 15 -3.143 -1.685 9.994 1.00 0.28 C ATOM 1800 C THR B 15 -4.335 -1.558 9.049 1.00 0.28 C ATOM 1801 O THR B 15 -5.489 -1.502 9.473 1.00 0.34 O ATOM 1802 CB THR B 15 -2.357 -0.362 9.969 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.240 -0.426 10.861 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.249 0.810 10.354 1.00 0.32 C ATOM 0 H THR B 15 -1.437 -2.550 9.153 1.00 0.30 H new ATOM 0 HA THR B 15 -3.493 -1.876 11.008 1.00 0.28 H new ATOM 0 HB THR B 15 -1.997 -0.209 8.952 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.473 0.031 10.458 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.669 1.732 10.328 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.078 0.883 9.650 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.640 0.655 11.360 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.022 -1.512 7.763 1.00 0.27 N ATOM 1813 CA VAL B 16 -5.013 -1.376 6.704 1.00 0.28 C ATOM 1814 C VAL B 16 -6.081 -2.468 6.747 1.00 0.30 C ATOM 1815 O VAL B 16 -7.256 -2.204 6.492 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.311 -1.413 5.338 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.714 -2.782 5.094 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.269 -1.042 4.231 1.00 0.33 C ATOM 0 H VAL B 16 -3.063 -1.569 7.421 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.516 -0.421 6.858 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.505 -0.679 5.344 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -3.219 -2.795 4.123 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.987 -3.006 5.875 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.505 -3.532 5.109 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.749 -1.075 3.274 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -6.100 -1.747 4.217 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.650 -0.035 4.402 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.674 -3.689 7.069 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.606 -4.810 7.115 1.00 0.33 C ATOM 1830 C VAL B 17 -7.755 -4.567 8.083 1.00 0.30 C ATOM 1831 O VAL B 17 -8.892 -4.953 7.812 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.895 -6.128 7.478 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.166 -5.999 8.802 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.884 -7.285 7.512 1.00 0.50 C ATOM 0 H VAL B 17 -4.710 -3.929 7.301 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.019 -4.897 6.110 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.156 -6.339 6.705 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.671 -6.941 9.038 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.422 -5.206 8.732 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.881 -5.757 9.589 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.359 -8.205 7.770 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.653 -7.084 8.258 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.349 -7.395 6.532 1.00 0.50 H new ATOM 1844 N SER B 18 -7.465 -3.931 9.204 1.00 0.33 N ATOM 1845 CA SER B 18 -8.492 -3.663 10.199 1.00 0.40 C ATOM 1846 C SER B 18 -9.329 -2.433 9.842 1.00 0.44 C ATOM 1847 O SER B 18 -10.428 -2.250 10.361 1.00 0.59 O ATOM 1848 CB SER B 18 -7.855 -3.479 11.577 1.00 0.51 C ATOM 1849 OG SER B 18 -7.164 -4.649 11.981 1.00 1.32 O ATOM 0 H SER B 18 -6.535 -3.592 9.449 1.00 0.33 H new ATOM 0 HA SER B 18 -9.161 -4.523 10.218 1.00 0.40 H new ATOM 0 HB2 SER B 18 -7.165 -2.636 11.552 1.00 0.51 H new ATOM 0 HB3 SER B 18 -8.627 -3.238 12.308 1.00 0.51 H new ATOM 0 HG SER B 18 -6.765 -4.505 12.864 1.00 1.32 H new ATOM 1855 N THR B 19 -8.799 -1.577 8.979 1.00 0.37 N ATOM 1856 CA THR B 19 -9.513 -0.365 8.587 1.00 0.45 C ATOM 1857 C THR B 19 -10.529 -0.588 7.467 1.00 0.46 C ATOM 1858 O THR B 19 -11.716 -0.792 7.719 1.00 0.53 O ATOM 1859 CB THR B 19 -8.544 0.755 8.169 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.813 0.367 7.002 1.00 0.42 O ATOM 1861 CG2 THR B 19 -7.576 1.081 9.296 1.00 0.49 C ATOM 0 H THR B 19 -7.886 -1.695 8.539 1.00 0.37 H new ATOM 0 HA THR B 19 -10.063 -0.064 9.479 1.00 0.45 H new ATOM 0 HB THR B 19 -9.132 1.646 7.946 1.00 0.45 H new ATOM 0 HG1 THR B 19 -7.653 -0.600 7.023 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.901 1.875 8.977 1.00 0.49 H new ATOM 0 HG22 THR B 19 -8.135 1.410 10.172 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.997 0.192 9.547 1.00 0.49 H new ATOM 1869 N PHE B 20 -10.049 -0.536 6.231 1.00 0.45 N ATOM 1870 CA PHE B 20 -10.901 -0.668 5.057 1.00 0.53 C ATOM 1871 C PHE B 20 -11.234 -2.104 4.711 1.00 0.53 C ATOM 1872 O PHE B 20 -12.291 -2.396 4.159 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.200 0.011 3.892 1.00 0.60 C ATOM 1874 CG PHE B 20 -10.835 -0.209 2.557 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.199 -0.376 2.442 1.00 1.26 C ATOM 1876 CD2 PHE B 20 -10.057 -0.253 1.420 1.00 1.59 C ATOM 1877 CE1 PHE B 20 -12.780 -0.587 1.208 1.00 1.37 C ATOM 1878 CE2 PHE B 20 -10.625 -0.462 0.184 1.00 1.77 C ATOM 1879 CZ PHE B 20 -11.990 -0.631 0.077 1.00 1.18 C ATOM 0 H PHE B 20 -9.061 -0.402 6.015 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.857 -0.192 5.276 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.160 1.083 4.086 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.170 -0.344 3.851 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -12.819 -0.341 3.326 1.00 1.26 H new ATOM 0 HD2 PHE B 20 -8.988 -0.122 1.500 1.00 1.59 H new ATOM 0 HE1 PHE B 20 -13.849 -0.717 1.128 1.00 1.37 H new ATOM 0 HE2 PHE B 20 -10.004 -0.494 -0.699 1.00 1.77 H new ATOM 0 HZ PHE B 20 -12.440 -0.798 -0.891 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.340 -2.997 5.007 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.570 -4.376 4.684 1.00 0.47 C ATOM 1891 C PHE B 21 -11.541 -5.024 5.649 1.00 0.49 C ATOM 1892 O PHE B 21 -11.957 -6.162 5.453 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.231 -5.101 4.559 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.231 -4.335 3.730 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -8.612 -3.244 2.945 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -6.896 -4.680 3.767 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -7.679 -2.540 2.224 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -5.963 -3.971 3.049 1.00 1.44 C ATOM 1899 CZ PHE B 21 -6.351 -2.901 2.274 1.00 0.53 C ATOM 0 H PHE B 21 -9.451 -2.801 5.468 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.062 -4.449 3.714 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.819 -5.269 5.554 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.393 -6.081 4.111 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -9.651 -2.951 2.905 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -6.579 -5.519 4.369 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -7.987 -1.702 1.617 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -4.922 -4.254 3.093 1.00 1.44 H new ATOM 0 HZ PHE B 21 -5.617 -2.347 1.708 1.00 0.53 H new ATOM 1909 N THR B 22 -11.904 -4.295 6.694 1.00 0.48 N ATOM 1910 CA THR B 22 -12.907 -4.773 7.615 1.00 0.54 C ATOM 1911 C THR B 22 -14.298 -4.506 7.038 1.00 0.48 C ATOM 1912 O THR B 22 -15.310 -4.834 7.658 1.00 0.53 O ATOM 1913 CB THR B 22 -12.784 -4.098 8.986 1.00 0.65 C ATOM 1914 OG1 THR B 22 -12.746 -2.670 8.839 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.530 -4.578 9.686 1.00 0.81 C ATOM 0 H THR B 22 -11.518 -3.378 6.919 1.00 0.48 H new ATOM 0 HA THR B 22 -12.755 -5.844 7.752 1.00 0.54 H new ATOM 0 HB THR B 22 -13.654 -4.364 9.586 1.00 0.65 H new ATOM 0 HG1 THR B 22 -11.909 -2.408 8.401 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.449 -4.094 10.659 1.00 0.81 H new ATOM 0 HG22 THR B 22 -11.579 -5.659 9.821 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.658 -4.327 9.082 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.342 -3.904 5.837 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.603 -3.602 5.182 1.00 0.51 C ATOM 1925 C PHE B 23 -16.358 -4.885 4.907 1.00 0.44 C ATOM 1926 O PHE B 23 -17.574 -4.953 5.080 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.327 -2.831 3.887 1.00 0.68 C ATOM 1928 CG PHE B 23 -15.101 -1.377 4.142 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -14.256 -0.985 5.155 1.00 1.46 C ATOM 1930 CD2 PHE B 23 -15.767 -0.410 3.415 1.00 1.48 C ATOM 1931 CE1 PHE B 23 -14.076 0.339 5.448 1.00 1.93 C ATOM 1932 CE2 PHE B 23 -15.585 0.927 3.697 1.00 1.88 C ATOM 1933 CZ PHE B 23 -14.739 1.306 4.720 1.00 1.83 C ATOM 0 H PHE B 23 -13.515 -3.622 5.310 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.221 -2.981 5.830 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -14.452 -3.253 3.393 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -16.169 -2.954 3.205 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -13.727 -1.733 5.727 1.00 1.46 H new ATOM 0 HD2 PHE B 23 -16.436 -0.704 2.619 1.00 1.48 H new ATOM 0 HE1 PHE B 23 -13.414 0.628 6.251 1.00 1.93 H new ATOM 0 HE2 PHE B 23 -16.104 1.677 3.118 1.00 1.88 H new ATOM 0 HZ PHE B 23 -14.597 2.352 4.949 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.624 -5.936 4.568 1.00 0.51 N ATOM 1944 CA ALA B 24 -16.236 -7.243 4.337 1.00 0.59 C ATOM 1945 C ALA B 24 -17.150 -7.581 5.502 1.00 0.61 C ATOM 1946 O ALA B 24 -18.109 -8.339 5.364 1.00 0.67 O ATOM 1947 CB ALA B 24 -15.171 -8.280 4.197 1.00 0.71 C ATOM 0 H ALA B 24 -14.611 -5.913 4.447 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.822 -7.218 3.418 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -15.631 -9.253 4.025 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -14.527 -8.029 3.354 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.576 -8.316 5.110 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.831 -6.997 6.658 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.643 -7.209 7.843 1.00 0.85 C ATOM 1955 C GLY B 25 -19.127 -7.042 7.561 1.00 0.74 C ATOM 1956 O GLY B 25 -19.947 -7.818 8.053 1.00 0.82 O ATOM 0 H GLY B 25 -16.027 -6.383 6.792 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.460 -8.210 8.232 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.341 -6.505 8.619 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.477 -6.026 6.767 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.876 -5.785 6.422 1.00 0.59 C ATOM 1962 C ARG B 26 -21.496 -7.049 5.848 1.00 0.58 C ATOM 1963 O ARG B 26 -22.639 -7.391 6.152 1.00 0.72 O ATOM 1964 CB ARG B 26 -21.006 -4.634 5.417 1.00 0.61 C ATOM 1965 CG ARG B 26 -22.417 -4.476 4.867 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.667 -3.075 4.337 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.684 -2.082 5.410 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.311 -0.912 5.326 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.962 -0.579 4.219 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -23.288 -0.073 6.352 1.00 2.82 N ATOM 0 H ARG B 26 -18.817 -5.365 6.356 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.407 -5.504 7.332 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -20.704 -3.704 5.898 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -20.317 -4.803 4.589 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -22.578 -5.200 4.068 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -23.139 -4.701 5.652 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.893 -2.816 3.615 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -23.619 -3.052 3.806 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.186 -2.299 6.273 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.983 -1.221 3.427 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.441 0.319 4.160 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -22.790 -0.325 7.206 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -23.769 0.824 6.288 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.730 -7.738 5.013 1.00 0.50 N ATOM 1985 CA GLU B 27 -21.195 -8.990 4.414 1.00 0.57 C ATOM 1986 C GLU B 27 -20.940 -10.169 5.353 1.00 0.80 C ATOM 1987 O GLU B 27 -19.837 -10.345 5.870 1.00 1.26 O ATOM 1988 CB GLU B 27 -20.496 -9.238 3.077 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.880 -8.245 1.996 1.00 0.85 C ATOM 1990 CD GLU B 27 -22.349 -8.319 1.633 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -23.154 -7.601 2.264 1.00 1.79 O ATOM 1992 OE2 GLU B 27 -22.697 -9.095 0.718 1.00 1.63 O ATOM 0 H GLU B 27 -19.790 -7.457 4.734 1.00 0.50 H new ATOM 0 HA GLU B 27 -22.268 -8.901 4.244 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -19.417 -9.198 3.228 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.733 -10.245 2.734 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -20.643 -7.236 2.334 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -20.280 -8.432 1.106 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.981 -10.973 5.560 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.891 -12.123 6.447 1.00 1.87 C ATOM 2001 C GLY B 28 -20.627 -12.935 6.275 1.00 1.35 C ATOM 2002 O GLY B 28 -19.735 -12.892 7.123 1.00 1.58 O ATOM 0 H GLY B 28 -22.895 -10.847 5.124 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -21.951 -11.778 7.479 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.752 -12.769 6.276 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.549 -13.686 5.180 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.394 -14.538 4.909 1.00 1.06 C ATOM 2008 C ARG B 29 -18.078 -13.831 5.239 1.00 1.14 C ATOM 2009 O ARG B 29 -18.042 -12.613 5.416 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.400 -14.989 3.445 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.556 -16.227 3.179 1.00 1.76 C ATOM 2012 CD ARG B 29 -17.245 -15.882 2.492 1.00 2.36 C ATOM 2013 NE ARG B 29 -16.497 -17.077 2.110 1.00 2.88 N ATOM 2014 CZ ARG B 29 -16.672 -17.729 0.963 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -17.582 -17.318 0.089 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -15.939 -18.800 0.694 1.00 4.30 N ATOM 0 H ARG B 29 -21.274 -13.722 4.464 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.470 -15.413 5.555 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.427 -15.189 3.141 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.036 -14.172 2.822 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -18.350 -16.735 4.121 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -19.119 -16.924 2.558 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -17.447 -15.282 1.605 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -16.636 -15.271 3.158 1.00 2.36 H new ATOM 0 HE ARG B 29 -15.798 -17.433 2.762 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.152 -16.498 0.294 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -17.711 -17.822 -0.788 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -15.242 -19.123 1.365 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -16.072 -19.301 -0.184 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.001 -14.607 5.313 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.681 -14.065 5.625 1.00 1.49 C ATOM 2032 C LYS B 30 -14.879 -13.861 4.350 1.00 1.34 C ATOM 2033 O LYS B 30 -13.692 -14.181 4.290 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.919 -15.024 6.538 1.00 2.04 C ATOM 2035 CG LYS B 30 -13.886 -14.341 7.418 1.00 2.66 C ATOM 2036 CD LYS B 30 -13.197 -15.335 8.340 1.00 3.51 C ATOM 2037 CE LYS B 30 -14.176 -15.962 9.318 1.00 4.01 C ATOM 2038 NZ LYS B 30 -14.799 -14.947 10.212 1.00 4.78 N ATOM 0 H LYS B 30 -17.016 -15.615 5.161 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.817 -13.108 6.128 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -15.632 -15.551 7.172 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.421 -15.776 5.926 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -13.142 -13.847 6.792 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -14.368 -13.565 8.013 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -12.725 -16.117 7.745 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -12.403 -14.831 8.891 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -14.956 -16.485 8.765 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -13.658 -16.708 9.921 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -15.283 -15.427 10.997 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -14.062 -14.319 10.591 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -15.488 -14.385 9.672 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.534 -13.320 3.339 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.881 -13.071 2.083 1.00 0.88 C ATOM 2054 C GLY B 31 -14.455 -11.655 1.971 1.00 0.81 C ATOM 2055 O GLY B 31 -13.359 -11.312 2.372 1.00 0.85 O ATOM 0 H GLY B 31 -16.516 -13.048 3.371 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -14.013 -13.723 1.986 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.557 -13.316 1.264 1.00 0.88 H new ATOM 2059 N SER B 32 -15.247 -10.863 1.307 1.00 0.74 N ATOM 2060 CA SER B 32 -14.917 -9.475 1.151 1.00 0.71 C ATOM 2061 C SER B 32 -16.150 -8.621 1.071 1.00 0.70 C ATOM 2062 O SER B 32 -17.238 -9.111 0.767 1.00 0.75 O ATOM 2063 CB SER B 32 -14.115 -9.298 -0.122 1.00 0.69 C ATOM 2064 OG SER B 32 -14.962 -9.274 -1.257 1.00 1.09 O ATOM 0 H SER B 32 -16.121 -11.152 0.867 1.00 0.74 H new ATOM 0 HA SER B 32 -14.339 -9.163 2.021 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.544 -8.371 -0.070 1.00 0.69 H new ATOM 0 HB3 SER B 32 -13.395 -10.111 -0.218 1.00 0.69 H new ATOM 0 HG SER B 32 -14.501 -8.832 -2.000 1.00 1.09 H new ATOM 2070 N LEU B 33 -15.989 -7.345 1.342 1.00 0.72 N ATOM 2071 CA LEU B 33 -17.103 -6.440 1.139 1.00 0.74 C ATOM 2072 C LEU B 33 -16.881 -5.822 -0.209 1.00 0.57 C ATOM 2073 O LEU B 33 -15.774 -5.842 -0.734 1.00 0.53 O ATOM 2074 CB LEU B 33 -17.328 -5.348 2.196 1.00 1.00 C ATOM 2075 CG LEU B 33 -18.417 -4.360 1.823 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -19.750 -5.093 1.727 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -18.519 -3.247 2.828 1.00 1.69 C ATOM 0 H LEU B 33 -15.131 -6.919 1.691 1.00 0.72 H new ATOM 0 HA LEU B 33 -18.015 -7.031 1.223 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -17.585 -5.819 3.145 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -16.395 -4.806 2.352 1.00 1.00 H new ATOM 0 HG LEU B 33 -18.163 -3.917 0.860 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -20.535 -4.386 1.459 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -19.684 -5.869 0.964 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -19.985 -5.549 2.689 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -19.309 -2.558 2.529 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -18.752 -3.662 3.809 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -17.570 -2.712 2.876 1.00 1.69 H new ATOM 2089 N ASN B 34 -17.929 -5.350 -0.800 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.855 -4.799 -2.102 1.00 0.47 C ATOM 2091 C ASN B 34 -17.747 -3.283 -2.033 1.00 0.41 C ATOM 2092 O ASN B 34 -16.667 -2.737 -1.824 1.00 0.56 O ATOM 2093 CB ASN B 34 -19.099 -5.270 -2.842 1.00 0.56 C ATOM 2094 CG ASN B 34 -18.887 -6.571 -3.593 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -18.086 -7.412 -3.186 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.609 -6.742 -4.695 1.00 2.12 N ATOM 0 H ASN B 34 -18.862 -5.338 -0.387 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.965 -5.131 -2.636 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -19.913 -5.398 -2.128 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.410 -4.498 -3.545 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.511 -7.598 -5.241 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -20.261 -6.017 -4.995 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.850 -2.597 -2.158 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.804 -1.150 -2.113 1.00 0.54 C ATOM 2105 C ILE B 35 -19.964 -0.550 -1.343 1.00 0.56 C ATOM 2106 O ILE B 35 -20.396 0.562 -1.627 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.726 -0.513 -3.511 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.401 -1.400 -4.558 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.275 -0.247 -3.888 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.750 -1.922 -4.123 1.00 1.04 C ATOM 0 H ILE B 35 -19.778 -3.000 -2.290 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.883 -0.916 -1.580 1.00 0.54 H new ATOM 0 HB ILE B 35 -19.260 0.437 -3.484 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.520 -0.833 -5.481 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.749 -2.244 -4.783 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.233 0.204 -4.880 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.829 0.432 -3.162 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.722 -1.186 -3.893 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.172 -2.543 -4.913 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.635 -2.516 -3.216 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.418 -1.084 -3.925 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.475 -1.291 -0.382 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.551 -0.796 0.450 1.00 0.63 C ATOM 2124 C ASN B 36 -20.924 0.095 1.480 1.00 0.59 C ATOM 2125 O ASN B 36 -21.151 1.305 1.499 1.00 0.59 O ATOM 2126 CB ASN B 36 -22.311 -1.942 1.114 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.965 -2.862 0.104 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.359 -3.832 -0.354 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -24.210 -2.564 -0.249 1.00 1.90 N ATOM 0 H ASN B 36 -20.163 -2.236 -0.158 1.00 0.59 H new ATOM 0 HA ASN B 36 -22.279 -0.250 -0.150 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.625 -2.518 1.735 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -23.074 -1.533 1.776 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.702 -3.148 -0.925 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.674 -1.751 0.156 1.00 1.90 H new ATOM 2136 N GLU B 37 -20.135 -0.505 2.348 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.416 0.281 3.314 1.00 0.56 C ATOM 2138 C GLU B 37 -18.435 1.171 2.591 1.00 0.50 C ATOM 2139 O GLU B 37 -18.207 2.286 3.011 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.676 -0.588 4.303 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.559 -1.606 4.986 1.00 0.76 C ATOM 2142 CD GLU B 37 -20.075 -1.136 6.331 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -20.764 -0.096 6.372 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -19.784 -1.804 7.346 1.00 1.28 O ATOM 0 H GLU B 37 -19.981 -1.512 2.401 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.136 0.880 3.872 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.869 -1.107 3.786 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.214 0.047 5.059 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.405 -1.837 4.339 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -18.999 -2.532 5.121 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.855 0.688 1.486 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.916 1.493 0.722 1.00 0.43 C ATOM 2153 C PHE B 38 -17.485 2.883 0.512 1.00 0.45 C ATOM 2154 O PHE B 38 -16.752 3.850 0.443 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.610 0.835 -0.612 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.414 1.406 -1.304 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.416 2.707 -1.760 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.288 0.633 -1.491 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -14.309 3.231 -2.396 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -13.173 1.147 -2.126 1.00 1.32 C ATOM 2161 CZ PHE B 38 -13.184 2.450 -2.581 1.00 0.46 C ATOM 0 H PHE B 38 -18.021 -0.246 1.110 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.984 1.573 1.281 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.452 -0.232 -0.453 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.478 0.935 -1.264 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.292 3.322 -1.618 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.277 -0.387 -1.137 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -14.322 4.252 -2.749 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.297 0.531 -2.266 1.00 1.32 H new ATOM 0 HZ PHE B 38 -12.317 2.858 -3.080 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.811 2.962 0.450 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.494 4.243 0.285 1.00 0.53 C ATOM 2173 C LYS B 39 -19.063 5.223 1.372 1.00 0.54 C ATOM 2174 O LYS B 39 -19.187 6.438 1.225 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.002 4.030 0.318 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.460 3.045 -0.726 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.310 3.704 -1.799 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.589 4.284 -1.216 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.476 4.846 -2.271 1.00 1.82 N ATOM 0 H LYS B 39 -19.434 2.156 0.511 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.221 4.669 -0.680 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.295 3.673 1.305 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.506 4.984 0.161 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.591 2.578 -1.189 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -22.033 2.250 -0.248 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.738 4.495 -2.283 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.558 2.973 -2.569 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -24.123 3.507 -0.669 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.339 5.065 -0.498 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.337 5.231 -1.832 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.976 5.605 -2.777 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.736 4.095 -2.942 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.571 4.667 2.469 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.070 5.442 3.589 1.00 0.57 C ATOM 2195 C GLU B 40 -16.644 5.925 3.297 1.00 0.55 C ATOM 2196 O GLU B 40 -16.036 6.621 4.111 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.116 4.594 4.882 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.891 3.706 5.139 1.00 1.09 C ATOM 2199 CD GLU B 40 -16.828 3.201 6.564 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -16.262 3.908 7.424 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -17.340 2.091 6.820 1.00 2.42 O ATOM 0 H GLU B 40 -18.509 3.658 2.606 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.703 6.317 3.733 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.239 5.266 5.731 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.001 3.959 4.847 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.913 2.856 4.457 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -15.985 4.270 4.917 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.122 5.564 2.117 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.784 5.931 1.721 1.00 0.50 C ATOM 2210 C LEU B 41 -14.761 7.358 1.204 1.00 0.55 C ATOM 2211 O LEU B 41 -14.662 8.298 1.979 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.282 4.971 0.630 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.053 3.505 1.018 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.747 3.004 0.422 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -14.054 3.300 2.529 1.00 0.66 C ATOM 0 H LEU B 41 -16.625 5.011 1.423 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.129 5.862 2.589 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.999 4.992 -0.191 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.343 5.366 0.243 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.884 2.928 0.612 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.594 1.962 0.704 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.789 3.084 -0.664 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -11.920 3.606 0.799 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.888 2.246 2.753 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -13.259 3.896 2.978 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -15.015 3.611 2.938 1.00 0.66 H new ATOM 2227 N ALA B 42 -14.934 7.523 -0.104 1.00 0.55 N ATOM 2228 CA ALA B 42 -14.891 8.843 -0.711 1.00 0.62 C ATOM 2229 C ALA B 42 -15.719 9.839 0.078 1.00 0.68 C ATOM 2230 O ALA B 42 -15.435 11.026 0.083 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.365 8.785 -2.135 1.00 0.65 C ATOM 0 H ALA B 42 -15.105 6.760 -0.759 1.00 0.55 H new ATOM 0 HA ALA B 42 -13.855 9.180 -0.699 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.326 9.783 -2.572 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -14.723 8.113 -2.705 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.391 8.417 -2.162 1.00 0.65 H new ATOM 2237 N THR B 43 -16.739 9.343 0.755 1.00 0.65 N ATOM 2238 CA THR B 43 -17.598 10.202 1.548 1.00 0.73 C ATOM 2239 C THR B 43 -16.794 10.918 2.631 1.00 0.78 C ATOM 2240 O THR B 43 -16.812 12.142 2.732 1.00 0.85 O ATOM 2241 CB THR B 43 -18.743 9.407 2.196 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.237 8.191 2.765 1.00 0.66 O ATOM 2243 CG2 THR B 43 -19.826 9.094 1.174 1.00 0.76 C ATOM 0 H THR B 43 -16.992 8.355 0.772 1.00 0.65 H new ATOM 0 HA THR B 43 -18.030 10.942 0.873 1.00 0.73 H new ATOM 0 HB THR B 43 -19.181 10.016 2.987 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.193 7.499 2.072 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.627 8.531 1.653 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.227 10.025 0.772 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.401 8.502 0.363 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.124 10.137 3.465 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.277 10.673 4.526 1.00 0.84 C ATOM 2253 C GLN B 44 -13.921 11.043 3.962 1.00 0.83 C ATOM 2254 O GLN B 44 -13.284 12.002 4.400 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.126 9.631 5.631 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.406 9.392 6.419 1.00 1.54 C ATOM 2257 CD GLN B 44 -16.205 8.447 7.587 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -15.902 8.874 8.701 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -16.373 7.154 7.337 1.00 2.74 N ATOM 0 H GLN B 44 -16.150 9.118 3.428 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.737 11.569 4.943 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.799 8.689 5.189 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.341 9.951 6.316 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -16.784 10.345 6.789 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -17.167 8.984 5.754 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -16.624 6.845 6.398 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -16.251 6.470 8.084 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.487 10.267 2.984 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.229 10.497 2.326 1.00 0.82 C ATOM 2270 C GLN B 45 -12.312 11.819 1.576 1.00 0.78 C ATOM 2271 O GLN B 45 -11.311 12.494 1.353 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.948 9.331 1.401 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.826 8.021 2.156 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.620 6.814 1.271 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -11.930 5.699 1.686 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.093 7.013 0.062 1.00 1.45 N ATOM 0 H GLN B 45 -14.003 9.462 2.629 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.408 10.565 3.039 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -12.748 9.252 0.665 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.026 9.519 0.851 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -10.992 8.093 2.854 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.727 7.872 2.751 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -10.851 7.957 -0.240 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.932 6.221 -0.561 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.539 12.186 1.173 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.786 13.463 0.513 1.00 0.78 C ATOM 2287 C LEU B 46 -13.021 14.538 1.264 1.00 0.74 C ATOM 2288 O LEU B 46 -12.014 15.025 0.760 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.285 13.812 0.474 1.00 0.83 C ATOM 2290 CG LEU B 46 -15.998 13.656 -0.876 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.427 14.168 -0.778 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.244 14.393 -1.971 1.00 1.30 C ATOM 0 H LEU B 46 -14.372 11.610 1.296 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.449 13.397 -0.521 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.798 13.186 1.203 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.402 14.845 0.802 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.022 12.597 -1.133 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.922 14.052 -1.742 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -17.967 13.598 -0.022 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.418 15.222 -0.500 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.767 14.269 -2.919 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.187 15.453 -1.724 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.236 13.986 -2.056 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.444 14.921 2.494 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.681 15.913 3.219 1.00 0.80 C ATOM 2306 C PRO B 47 -11.498 15.312 3.934 1.00 0.77 C ATOM 2307 O PRO B 47 -11.580 14.847 5.071 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.692 16.421 4.241 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.563 15.240 4.514 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.644 14.478 3.219 1.00 0.90 C ATOM 0 HA PRO B 47 -12.267 16.679 2.563 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.199 16.771 5.148 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.269 17.259 3.848 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.143 14.620 5.306 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.553 15.553 4.845 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.640 13.401 3.385 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.556 14.713 2.670 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.405 15.333 3.218 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.118 14.917 3.700 1.00 0.75 C ATOM 2320 C HIS B 48 -8.283 16.126 4.064 1.00 0.83 C ATOM 2321 O HIS B 48 -8.804 17.225 4.245 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.464 14.079 2.631 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.428 12.631 3.000 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -9.226 11.686 2.400 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -7.730 11.978 3.959 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -9.027 10.517 2.971 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -8.123 10.663 3.920 1.00 1.59 N ATOM 0 H HIS B 48 -10.388 15.652 2.249 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.218 14.318 4.605 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.005 14.201 1.693 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.448 14.436 2.462 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -9.872 11.863 1.631 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -7.001 12.410 4.629 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -9.521 9.594 2.707 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -7.773 9.921 4.526 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.980 15.915 4.168 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.068 17.015 4.383 1.00 1.00 C ATOM 2338 C LEU B 49 -5.805 17.635 3.012 1.00 0.98 C ATOM 2339 O LEU B 49 -6.394 18.654 2.654 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.765 16.546 5.038 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.891 16.126 6.504 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -5.783 14.902 6.637 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -3.518 15.854 7.099 1.00 2.44 C ATOM 0 H LEU B 49 -6.538 14.998 4.107 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.501 17.746 5.066 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.372 15.705 4.467 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.031 17.349 4.968 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.351 16.945 7.057 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -5.859 14.620 7.687 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -6.776 15.131 6.250 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -5.354 14.076 6.070 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -3.626 15.557 8.142 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -3.032 15.053 6.542 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -2.911 16.757 7.040 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.907 17.004 2.252 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.598 17.432 0.890 1.00 1.01 C ATOM 2357 C LEU B 50 -5.580 16.776 -0.089 1.00 0.92 C ATOM 2358 O LEU B 50 -5.171 16.247 -1.124 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.157 17.055 0.528 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.644 17.632 -0.793 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.649 19.152 -0.751 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.246 17.112 -1.092 1.00 2.24 C ATOM 0 H LEU B 50 -4.378 16.189 2.562 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.697 18.516 0.825 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.499 17.387 1.331 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.083 15.968 0.484 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.312 17.309 -1.592 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.281 19.543 -1.699 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.665 19.508 -0.581 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.004 19.496 0.058 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -0.896 17.532 -2.035 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.569 17.406 -0.290 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.270 16.025 -1.166 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.874 16.817 0.238 1.00 0.85 N ATOM 2375 CA LYS B 51 -7.908 16.182 -0.572 1.00 0.80 C ATOM 2376 C LYS B 51 -7.670 16.338 -2.068 1.00 0.89 C ATOM 2377 O LYS B 51 -6.954 17.233 -2.513 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.289 16.740 -0.203 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.429 16.263 -1.108 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.724 17.069 -0.941 1.00 2.12 C ATOM 2381 CE LYS B 51 -11.910 17.642 0.457 1.00 2.68 C ATOM 2382 NZ LYS B 51 -11.586 19.095 0.514 1.00 3.58 N ATOM 0 H LYS B 51 -7.230 17.290 1.069 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.867 15.115 -0.351 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.517 16.460 0.825 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.248 17.829 -0.235 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.106 16.322 -2.147 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.634 15.213 -0.897 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.729 17.886 -1.663 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.574 16.429 -1.178 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.940 17.488 0.778 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.274 17.101 1.158 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -11.263 19.341 1.471 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -10.834 19.310 -0.171 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -12.435 19.649 0.282 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.294 15.447 -2.832 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.189 15.467 -4.281 1.00 1.17 C ATOM 2398 C ASP B 52 -9.505 15.961 -4.872 1.00 1.24 C ATOM 2399 O ASP B 52 -9.512 16.650 -5.887 1.00 1.47 O ATOM 2400 CB ASP B 52 -7.835 14.078 -4.826 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.414 13.673 -4.490 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -6.195 13.131 -3.387 1.00 2.61 O ATOM 2403 OD2 ASP B 52 -5.517 13.901 -5.330 1.00 2.35 O ATOM 0 H ASP B 52 -8.881 14.698 -2.465 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.387 16.145 -4.571 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -8.527 13.342 -4.416 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -7.966 14.070 -5.908 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.607 15.605 -4.197 1.00 1.14 N ATOM 2409 CA VAL B 53 -11.964 15.990 -4.584 1.00 1.27 C ATOM 2410 C VAL B 53 -12.659 14.874 -5.351 1.00 1.24 C ATOM 2411 O VAL B 53 -12.685 14.814 -6.579 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.026 17.353 -5.318 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -11.892 17.243 -6.836 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.309 18.081 -4.949 1.00 1.92 C ATOM 0 H VAL B 53 -10.576 15.032 -3.354 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.522 16.141 -3.660 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.161 17.925 -4.983 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -11.945 18.238 -7.279 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -10.934 16.785 -7.085 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -12.701 16.627 -7.229 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.346 19.039 -5.468 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -14.167 17.476 -5.241 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.334 18.251 -3.873 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.185 13.955 -4.575 1.00 1.06 N ATOM 2425 CA GLY B 54 -13.893 12.819 -5.131 1.00 1.09 C ATOM 2426 C GLY B 54 -15.262 13.177 -5.680 1.00 1.13 C ATOM 2427 O GLY B 54 -16.227 13.310 -4.927 1.00 1.23 O ATOM 0 H GLY B 54 -13.138 13.969 -3.556 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.293 12.380 -5.928 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.006 12.057 -4.360 1.00 1.09 H new ATOM 2431 N SER B 55 -15.343 13.332 -6.998 1.00 1.16 N ATOM 2432 CA SER B 55 -16.600 13.655 -7.659 1.00 1.24 C ATOM 2433 C SER B 55 -17.592 12.508 -7.488 1.00 1.10 C ATOM 2434 O SER B 55 -17.304 11.369 -7.855 1.00 1.09 O ATOM 2435 CB SER B 55 -16.340 13.926 -9.135 1.00 1.40 C ATOM 2436 OG SER B 55 -17.457 14.547 -9.749 1.00 1.62 O ATOM 0 H SER B 55 -14.548 13.238 -7.631 1.00 1.16 H new ATOM 0 HA SER B 55 -17.031 14.548 -7.206 1.00 1.24 H new ATOM 0 HB2 SER B 55 -15.463 14.564 -9.241 1.00 1.40 H new ATOM 0 HB3 SER B 55 -16.116 12.989 -9.645 1.00 1.40 H new ATOM 0 HG SER B 55 -18.065 13.860 -10.094 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.776 12.829 -6.970 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.813 11.831 -6.698 1.00 1.10 C ATOM 2444 C LEU B 56 -19.885 10.738 -7.766 1.00 0.98 C ATOM 2445 O LEU B 56 -19.889 9.551 -7.440 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.177 12.512 -6.566 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.246 13.631 -5.525 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.650 14.211 -5.457 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -20.813 13.118 -4.159 1.00 2.83 C ATOM 0 H LEU B 56 -19.044 13.783 -6.727 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.542 11.346 -5.760 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.456 12.922 -7.536 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.920 11.756 -6.314 1.00 1.28 H new ATOM 0 HG LEU B 56 -20.561 14.423 -5.827 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -22.680 15.005 -4.711 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -22.923 14.617 -6.431 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.355 13.427 -5.180 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -20.869 13.928 -3.432 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -21.472 12.307 -3.850 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -19.788 12.752 -4.216 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.943 11.128 -9.032 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.021 10.150 -10.114 1.00 1.01 C ATOM 2463 C ASP B 57 -18.932 9.113 -10.003 1.00 0.95 C ATOM 2464 O ASP B 57 -19.189 7.913 -9.997 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.906 10.807 -11.476 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.975 12.006 -11.475 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -17.748 11.803 -11.587 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -19.475 13.145 -11.360 1.00 2.48 O ATOM 0 H ASP B 57 -19.938 12.102 -9.335 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.997 9.674 -10.018 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.546 10.074 -12.198 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.896 11.122 -11.807 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.721 9.602 -9.918 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.541 8.753 -9.815 1.00 0.95 C ATOM 2475 C GLU B 58 -16.744 7.729 -8.721 1.00 0.87 C ATOM 2476 O GLU B 58 -16.272 6.596 -8.805 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.300 9.595 -9.520 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.773 10.340 -10.734 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.462 11.052 -10.459 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.398 10.426 -10.643 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -13.501 12.235 -10.062 1.00 2.42 O ATOM 0 H GLU B 58 -17.515 10.601 -9.918 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.393 8.240 -10.765 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.536 10.314 -8.736 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -14.514 8.947 -9.132 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.635 9.637 -11.555 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -15.516 11.068 -11.059 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.456 8.149 -7.691 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.750 7.282 -6.576 1.00 0.76 C ATOM 2490 C LYS B 59 -18.865 6.307 -6.914 1.00 0.80 C ATOM 2491 O LYS B 59 -18.974 5.245 -6.309 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.088 8.106 -5.346 1.00 0.75 C ATOM 2493 CG LYS B 59 -16.873 8.801 -4.766 1.00 0.75 C ATOM 2494 CD LYS B 59 -16.649 10.166 -5.385 1.00 1.14 C ATOM 2495 CE LYS B 59 -15.461 10.135 -6.336 1.00 1.95 C ATOM 2496 NZ LYS B 59 -14.177 9.911 -5.613 1.00 2.67 N ATOM 0 H LYS B 59 -17.841 9.090 -7.608 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.862 6.690 -6.357 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.840 8.851 -5.606 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.529 7.459 -4.588 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.997 8.908 -3.688 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -15.991 8.181 -4.926 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.544 10.479 -5.923 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -16.475 10.903 -4.601 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -15.606 9.345 -7.072 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -15.410 11.076 -6.884 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -13.421 10.459 -6.071 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -14.277 10.218 -4.624 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -13.936 8.900 -5.638 1.00 2.67 H new ATOM 2510 N MET B 60 -19.695 6.684 -7.873 1.00 0.86 N ATOM 2511 CA MET B 60 -20.791 5.832 -8.314 1.00 0.92 C ATOM 2512 C MET B 60 -20.305 4.788 -9.325 1.00 0.96 C ATOM 2513 O MET B 60 -20.848 3.688 -9.409 1.00 1.01 O ATOM 2514 CB MET B 60 -21.895 6.689 -8.937 1.00 1.00 C ATOM 2515 CG MET B 60 -22.550 7.644 -7.953 1.00 1.01 C ATOM 2516 SD MET B 60 -23.329 6.790 -6.569 1.00 1.74 S ATOM 2517 CE MET B 60 -23.981 8.177 -5.642 1.00 2.31 C ATOM 0 H MET B 60 -19.632 7.576 -8.363 1.00 0.86 H new ATOM 0 HA MET B 60 -21.187 5.305 -7.446 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.476 7.263 -9.763 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.658 6.034 -9.358 1.00 1.00 H new ATOM 0 HG2 MET B 60 -21.800 8.337 -7.571 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.299 8.240 -8.475 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.494 7.811 -4.752 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.163 8.833 -5.345 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.684 8.732 -6.264 1.00 2.31 H new ATOM 2527 N LYS B 61 -19.273 5.151 -10.089 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.712 4.266 -11.120 1.00 1.02 C ATOM 2529 C LYS B 61 -17.765 3.251 -10.518 1.00 0.96 C ATOM 2530 O LYS B 61 -18.065 2.059 -10.456 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.960 5.059 -12.198 1.00 1.09 C ATOM 2532 CG LYS B 61 -18.263 6.549 -12.219 1.00 1.55 C ATOM 2533 CD LYS B 61 -17.738 7.205 -13.486 1.00 2.08 C ATOM 2534 CE LYS B 61 -16.225 7.097 -13.585 1.00 2.60 C ATOM 2535 NZ LYS B 61 -15.702 7.746 -14.820 1.00 3.16 N ATOM 0 H LYS B 61 -18.805 6.054 -10.015 1.00 0.97 H new ATOM 0 HA LYS B 61 -19.557 3.751 -11.577 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -16.889 4.922 -12.049 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -18.203 4.639 -13.174 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -19.340 6.704 -12.147 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.813 7.025 -11.348 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -18.195 6.734 -14.357 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -18.030 8.255 -13.501 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -15.770 7.561 -12.710 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -15.935 6.046 -13.576 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -14.667 7.651 -14.850 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -16.117 7.287 -15.656 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -15.957 8.754 -14.817 1.00 3.16 H new ATOM 2549 N THR B 62 -16.612 3.736 -10.070 1.00 0.99 N ATOM 2550 CA THR B 62 -15.602 2.877 -9.469 1.00 0.96 C ATOM 2551 C THR B 62 -16.234 1.933 -8.449 1.00 0.87 C ATOM 2552 O THR B 62 -15.708 0.856 -8.165 1.00 0.84 O ATOM 2553 CB THR B 62 -14.494 3.703 -8.794 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.949 4.644 -9.725 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.391 2.799 -8.270 1.00 1.05 C ATOM 0 H THR B 62 -16.355 4.722 -10.113 1.00 0.99 H new ATOM 0 HA THR B 62 -15.155 2.289 -10.271 1.00 0.96 H new ATOM 0 HB THR B 62 -14.931 4.240 -7.952 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.472 5.472 -9.697 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.618 3.405 -7.797 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.806 2.105 -7.539 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.956 2.238 -9.097 1.00 1.05 H new ATOM 2563 N LEU B 63 -17.369 2.362 -7.903 1.00 0.86 N ATOM 2564 CA LEU B 63 -18.134 1.576 -6.943 1.00 0.83 C ATOM 2565 C LEU B 63 -18.154 0.099 -7.327 1.00 0.80 C ATOM 2566 O LEU B 63 -17.674 -0.753 -6.582 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.554 2.142 -6.894 1.00 0.95 C ATOM 2568 CG LEU B 63 -20.508 1.480 -5.909 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -21.455 2.512 -5.313 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.297 0.368 -6.588 1.00 1.41 C ATOM 0 H LEU B 63 -17.784 3.269 -8.116 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.668 1.641 -5.960 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.492 3.203 -6.651 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.987 2.069 -7.892 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.918 1.041 -5.104 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -22.131 2.023 -4.611 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.879 3.276 -4.790 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -22.035 2.977 -6.110 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.972 -0.092 -5.867 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.876 0.784 -7.413 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.608 -0.385 -6.971 1.00 1.41 H new ATOM 2582 N ASP B 64 -18.701 -0.192 -8.498 1.00 0.78 N ATOM 2583 CA ASP B 64 -18.768 -1.563 -8.986 1.00 0.81 C ATOM 2584 C ASP B 64 -17.369 -2.120 -9.242 1.00 0.81 C ATOM 2585 O ASP B 64 -17.170 -3.335 -9.271 1.00 0.88 O ATOM 2586 CB ASP B 64 -19.599 -1.620 -10.269 1.00 0.91 C ATOM 2587 CG ASP B 64 -21.082 -1.443 -10.005 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -21.544 -0.284 -9.971 1.00 2.05 O ATOM 2589 OD2 ASP B 64 -21.780 -2.464 -9.833 1.00 1.96 O ATOM 0 H ASP B 64 -19.105 0.501 -9.128 1.00 0.78 H new ATOM 0 HA ASP B 64 -19.245 -2.177 -8.222 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -19.259 -0.843 -10.954 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -19.432 -2.576 -10.764 1.00 0.91 H new ATOM 2594 N VAL B 65 -16.402 -1.224 -9.426 1.00 0.81 N ATOM 2595 CA VAL B 65 -15.024 -1.622 -9.684 1.00 0.87 C ATOM 2596 C VAL B 65 -14.289 -2.002 -8.399 1.00 0.77 C ATOM 2597 O VAL B 65 -13.902 -3.156 -8.212 1.00 0.83 O ATOM 2598 CB VAL B 65 -14.243 -0.496 -10.391 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -12.806 -0.921 -10.659 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.938 -0.100 -11.685 1.00 1.07 C ATOM 0 H VAL B 65 -16.550 -0.215 -9.401 1.00 0.81 H new ATOM 0 HA VAL B 65 -15.073 -2.497 -10.332 1.00 0.87 H new ATOM 0 HB VAL B 65 -14.221 0.372 -9.732 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -12.274 -0.111 -11.158 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -12.313 -1.151 -9.715 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -12.801 -1.805 -11.296 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -14.374 0.696 -12.172 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -14.993 -0.964 -12.348 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.946 0.252 -11.464 1.00 1.07 H new ATOM 2610 N ASN B 66 -14.101 -1.026 -7.514 1.00 0.72 N ATOM 2611 CA ASN B 66 -13.389 -1.255 -6.258 1.00 0.67 C ATOM 2612 C ASN B 66 -14.261 -1.901 -5.189 1.00 0.56 C ATOM 2613 O ASN B 66 -14.256 -1.461 -4.038 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.842 0.059 -5.705 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.606 0.556 -6.438 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.490 1.742 -6.741 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.659 -0.340 -6.700 1.00 1.10 N ATOM 0 H ASN B 66 -14.431 -0.070 -7.643 1.00 0.72 H new ATOM 0 HA ASN B 66 -12.577 -1.942 -6.495 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.620 0.820 -5.763 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -12.601 -0.072 -4.650 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -9.800 -0.052 -7.168 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.792 -1.315 -6.433 1.00 1.10 H new ATOM 2624 N GLN B 67 -15.005 -2.938 -5.538 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.825 -3.594 -4.536 1.00 0.68 C ATOM 2626 C GLN B 67 -14.965 -4.425 -3.606 1.00 0.61 C ATOM 2627 O GLN B 67 -15.020 -4.293 -2.390 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.923 -4.485 -5.126 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.699 -5.069 -6.513 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.683 -6.202 -6.555 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -14.489 -5.931 -7.085 1.00 2.01 O flip ATOM 2632 NE2 GLN B 67 -15.982 -7.325 -6.148 1.00 1.44 N flip ATOM 0 H GLN B 67 -15.058 -3.333 -6.477 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.318 -2.790 -3.989 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.087 -5.314 -4.437 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -17.846 -3.905 -5.153 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.650 -5.434 -6.899 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.368 -4.274 -7.181 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -16.905 -7.494 -5.749 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -15.306 -8.087 -6.210 1.00 1.44 H new ATOM 2641 N ASP B 68 -14.134 -5.248 -4.186 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.293 -6.118 -3.417 1.00 0.62 C ATOM 2643 C ASP B 68 -12.052 -5.389 -2.933 1.00 0.59 C ATOM 2644 O ASP B 68 -11.157 -6.002 -2.352 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.921 -7.342 -4.229 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.095 -8.275 -4.455 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.915 -8.435 -3.528 1.00 1.50 O ATOM 2648 OD2 ASP B 68 -14.193 -8.845 -5.562 1.00 1.58 O ATOM 0 H ASP B 68 -14.023 -5.333 -5.196 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.849 -6.444 -2.538 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.523 -7.026 -5.193 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.125 -7.884 -3.718 1.00 0.73 H new ATOM 2653 N SER B 69 -11.998 -4.066 -3.150 1.00 0.56 N ATOM 2654 CA SER B 69 -10.864 -3.281 -2.683 1.00 0.58 C ATOM 2655 C SER B 69 -10.672 -3.539 -1.185 1.00 0.62 C ATOM 2656 O SER B 69 -9.637 -3.224 -0.618 1.00 0.74 O ATOM 2657 CB SER B 69 -11.078 -1.794 -2.970 1.00 0.66 C ATOM 2658 OG SER B 69 -10.955 -1.524 -4.356 1.00 1.74 O ATOM 0 H SER B 69 -12.717 -3.532 -3.638 1.00 0.56 H new ATOM 0 HA SER B 69 -9.962 -3.582 -3.216 1.00 0.58 H new ATOM 0 HB2 SER B 69 -12.066 -1.491 -2.623 1.00 0.66 H new ATOM 0 HB3 SER B 69 -10.349 -1.204 -2.414 1.00 0.66 H new ATOM 0 HG SER B 69 -10.543 -2.292 -4.804 1.00 1.74 H new ATOM 2664 N GLU B 70 -11.743 -4.033 -0.559 1.00 0.63 N ATOM 2665 CA GLU B 70 -11.744 -4.481 0.824 1.00 0.76 C ATOM 2666 C GLU B 70 -11.833 -5.986 0.768 1.00 0.77 C ATOM 2667 O GLU B 70 -12.770 -6.501 0.174 1.00 0.81 O ATOM 2668 CB GLU B 70 -12.978 -3.997 1.547 1.00 0.84 C ATOM 2669 CG GLU B 70 -14.243 -4.369 0.820 1.00 1.33 C ATOM 2670 CD GLU B 70 -15.130 -3.174 0.529 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -14.735 -2.343 -0.313 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -16.214 -3.070 1.122 1.00 2.73 O ATOM 0 H GLU B 70 -12.650 -4.132 -1.015 1.00 0.63 H new ATOM 0 HA GLU B 70 -10.859 -4.108 1.339 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -12.999 -4.421 2.551 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.930 -2.914 1.660 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -13.986 -4.861 -0.118 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -14.800 -5.092 1.417 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.899 -6.710 1.332 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.981 -8.135 1.220 1.00 0.83 C ATOM 2681 C LEU B 71 -10.567 -8.904 2.464 1.00 0.81 C ATOM 2682 O LEU B 71 -9.746 -8.456 3.253 1.00 0.86 O ATOM 2683 CB LEU B 71 -10.112 -8.475 0.038 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.822 -9.924 -0.214 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.838 -10.544 0.764 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -11.085 -10.703 -0.290 1.00 1.25 C ATOM 0 H LEU B 71 -10.101 -6.348 1.855 1.00 0.79 H new ATOM 0 HA LEU B 71 -12.020 -8.437 1.092 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -10.584 -8.066 -0.855 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -9.160 -7.958 0.160 1.00 0.99 H new ATOM 0 HG LEU B 71 -9.319 -9.968 -1.180 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.685 -11.593 0.510 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.887 -10.014 0.708 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -9.236 -10.470 1.776 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.855 -11.752 -0.473 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.627 -10.610 0.651 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.701 -10.319 -1.103 1.00 1.25 H new ATOM 2698 N ARG B 72 -11.233 -10.031 2.680 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.878 -10.933 3.748 1.00 0.80 C ATOM 2700 C ARG B 72 -10.396 -12.252 3.143 1.00 0.69 C ATOM 2701 O ARG B 72 -9.559 -12.943 3.721 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.058 -11.223 4.664 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.047 -10.099 4.813 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.404 -8.718 4.883 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.048 -8.757 5.434 1.00 1.30 N ATOM 2706 CZ ARG B 72 -10.776 -9.083 6.697 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.759 -9.399 7.530 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.521 -9.095 7.126 1.00 1.42 N ATOM 0 H ARG B 72 -12.028 -10.337 2.119 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.095 -10.459 4.340 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.584 -12.100 4.286 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.675 -11.482 5.651 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.741 -10.124 3.973 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.635 -10.262 5.716 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.374 -8.284 3.884 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -13.023 -8.063 5.496 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.270 -8.522 4.818 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.725 -9.393 7.204 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.548 -9.648 8.496 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -8.762 -8.854 6.489 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -9.315 -9.345 8.093 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.919 -12.577 1.951 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.563 -13.814 1.275 1.00 0.57 C ATOM 2724 C PHE B 73 -9.424 -13.668 0.210 1.00 0.52 C ATOM 2725 O PHE B 73 -8.278 -13.519 0.603 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.844 -14.537 0.762 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.548 -13.978 -0.464 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -13.063 -12.689 -0.502 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -12.688 -14.766 -1.596 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.688 -12.199 -1.625 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -13.319 -14.281 -2.727 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.819 -12.995 -2.743 1.00 0.87 C ATOM 0 H PHE B 73 -11.587 -11.996 1.444 1.00 0.60 H new ATOM 0 HA PHE B 73 -10.101 -14.467 2.015 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.578 -15.572 0.549 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.565 -14.555 1.579 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.971 -12.057 0.369 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -12.299 -15.773 -1.595 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -14.076 -11.191 -1.631 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -13.421 -14.910 -3.599 1.00 1.44 H new ATOM 0 HZ PHE B 73 -14.310 -12.614 -3.626 1.00 0.87 H new ATOM 2742 N SER B 74 -9.682 -13.658 -1.109 1.00 0.48 N ATOM 2743 CA SER B 74 -8.558 -13.651 -2.082 1.00 0.48 C ATOM 2744 C SER B 74 -8.525 -12.450 -2.990 1.00 0.42 C ATOM 2745 O SER B 74 -7.605 -12.301 -3.794 1.00 0.46 O ATOM 2746 CB SER B 74 -8.556 -14.902 -2.964 1.00 0.63 C ATOM 2747 OG SER B 74 -9.854 -15.456 -3.084 1.00 1.03 O ATOM 0 H SER B 74 -10.615 -13.655 -1.521 1.00 0.48 H new ATOM 0 HA SER B 74 -7.672 -13.621 -1.448 1.00 0.48 H new ATOM 0 HB2 SER B 74 -8.174 -14.650 -3.953 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.880 -15.645 -2.541 1.00 0.63 H new ATOM 0 HG SER B 74 -9.818 -16.252 -3.654 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.504 -11.600 -2.879 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.561 -10.426 -3.725 1.00 0.42 C ATOM 2755 C GLU B 75 -8.642 -9.308 -3.211 1.00 0.42 C ATOM 2756 O GLU B 75 -8.788 -8.146 -3.594 1.00 0.56 O ATOM 2757 CB GLU B 75 -11.007 -9.969 -3.798 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.966 -11.059 -4.246 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.754 -11.472 -5.688 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -12.024 -10.648 -6.587 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.319 -12.619 -5.919 1.00 1.41 O ATOM 0 H GLU B 75 -10.274 -11.690 -2.217 1.00 0.43 H new ATOM 0 HA GLU B 75 -9.200 -10.676 -4.723 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -11.315 -9.606 -2.817 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -11.079 -9.127 -4.487 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.845 -11.930 -3.602 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.991 -10.709 -4.120 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.689 -9.674 -2.342 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.777 -8.720 -1.753 1.00 0.38 C ATOM 2770 C TYR B 76 -5.994 -7.996 -2.825 1.00 0.39 C ATOM 2771 O TYR B 76 -5.512 -6.888 -2.630 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.832 -9.403 -0.755 1.00 0.40 C ATOM 2773 CG TYR B 76 -6.203 -9.238 0.701 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.992 -8.189 1.127 1.00 1.29 C ATOM 2775 CD2 TYR B 76 -5.776 -10.157 1.650 1.00 1.22 C ATOM 2776 CE1 TYR B 76 -7.346 -8.042 2.439 1.00 1.29 C ATOM 2777 CE2 TYR B 76 -6.128 -10.022 2.978 1.00 1.26 C ATOM 2778 CZ TYR B 76 -6.915 -8.961 3.369 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.269 -8.817 4.691 1.00 0.54 O ATOM 0 H TYR B 76 -7.540 -10.636 -2.038 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.367 -7.985 -1.206 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.795 -10.468 -0.985 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.827 -9.009 -0.904 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -7.339 -7.465 0.405 1.00 1.29 H new ATOM 0 HD2 TYR B 76 -5.160 -10.990 1.345 1.00 1.22 H new ATOM 0 HE1 TYR B 76 -7.961 -7.209 2.745 1.00 1.29 H new ATOM 0 HE2 TYR B 76 -5.788 -10.744 3.706 1.00 1.26 H new ATOM 0 HH TYR B 76 -8.116 -8.328 4.751 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.854 -8.625 -3.968 1.00 0.40 N ATOM 2790 CA TRP B 77 -5.182 -7.970 -5.077 1.00 0.43 C ATOM 2791 C TRP B 77 -5.942 -6.683 -5.414 1.00 0.45 C ATOM 2792 O TRP B 77 -5.446 -5.837 -6.148 1.00 0.50 O ATOM 2793 CB TRP B 77 -5.145 -8.893 -6.285 1.00 0.45 C ATOM 2794 CG TRP B 77 -6.515 -9.256 -6.734 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -7.452 -8.405 -7.221 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -7.118 -10.550 -6.700 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.599 -9.087 -7.513 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -8.422 -10.410 -7.203 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.681 -11.812 -6.301 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -9.295 -11.489 -7.314 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.545 -12.881 -6.409 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.838 -12.714 -6.912 1.00 0.56 C ATOM 0 H TRP B 77 -6.187 -9.570 -4.158 1.00 0.40 H new ATOM 0 HA TRP B 77 -4.155 -7.731 -4.801 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.611 -8.406 -7.101 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.591 -9.798 -6.036 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -7.312 -7.343 -7.358 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -9.450 -8.678 -7.899 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.682 -11.950 -5.914 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -10.295 -11.364 -7.703 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -7.217 -13.863 -6.100 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.491 -13.571 -6.985 1.00 0.56 H new ATOM 2813 N ARG B 78 -7.177 -6.562 -4.898 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.982 -5.384 -5.102 1.00 0.47 C ATOM 2815 C ARG B 78 -7.441 -4.214 -4.286 1.00 0.49 C ATOM 2816 O ARG B 78 -7.518 -3.064 -4.716 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.436 -5.696 -4.751 1.00 0.50 C ATOM 2818 CG ARG B 78 -10.029 -6.766 -5.642 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.789 -6.179 -6.820 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.916 -5.448 -7.733 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.354 -4.556 -8.616 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -11.649 -4.283 -8.699 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -9.498 -3.937 -9.418 1.00 2.83 N ATOM 0 H ARG B 78 -7.627 -7.283 -4.334 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.938 -5.089 -6.150 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.494 -6.019 -3.712 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -10.030 -4.786 -4.836 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -9.232 -7.411 -6.012 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.700 -7.393 -5.055 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -11.289 -6.981 -7.363 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -11.567 -5.510 -6.451 1.00 0.77 H new ATOM 0 HE ARG B 78 -8.914 -5.632 -7.691 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -12.311 -4.758 -8.085 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -11.983 -3.598 -9.377 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -8.501 -4.145 -9.358 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -9.836 -3.253 -10.095 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.888 -4.506 -3.104 1.00 0.42 N ATOM 2838 CA LEU B 79 -6.303 -3.463 -2.285 1.00 0.45 C ATOM 2839 C LEU B 79 -4.985 -3.021 -2.902 1.00 0.46 C ATOM 2840 O LEU B 79 -4.475 -1.942 -2.596 1.00 0.53 O ATOM 2841 CB LEU B 79 -6.015 -3.918 -0.844 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.568 -5.254 -0.338 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.670 -5.743 0.787 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.996 -5.120 0.151 1.00 0.88 C ATOM 0 H LEU B 79 -6.838 -5.444 -2.706 1.00 0.42 H new ATOM 0 HA LEU B 79 -7.030 -2.652 -2.247 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.932 -3.949 -0.724 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -6.387 -3.140 -0.178 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.578 -5.970 -1.159 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -6.045 -6.695 1.164 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.655 -5.876 0.411 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -5.665 -5.010 1.594 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -8.353 -6.088 0.502 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -8.034 -4.401 0.969 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -8.629 -4.774 -0.666 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.436 -3.865 -3.770 1.00 0.44 N ATOM 2857 CA ILE B 80 -3.168 -3.600 -4.420 1.00 0.48 C ATOM 2858 C ILE B 80 -3.035 -2.124 -4.835 1.00 0.48 C ATOM 2859 O ILE B 80 -2.058 -1.462 -4.487 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.975 -4.564 -5.625 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.488 -4.800 -5.882 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.644 -4.034 -6.885 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -1.216 -5.857 -6.928 1.00 1.16 C ATOM 0 H ILE B 80 -4.862 -4.752 -4.039 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.369 -3.788 -3.703 1.00 0.48 H new ATOM 0 HB ILE B 80 -3.452 -5.510 -5.368 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -1.029 -3.863 -6.196 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -1.008 -5.093 -4.948 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.486 -4.736 -7.704 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.713 -3.918 -6.708 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -3.212 -3.068 -7.147 1.00 0.55 H new ATOM 0 HD11 ILE B 80 -0.140 -5.971 -7.058 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.645 -6.806 -6.607 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.666 -5.557 -7.874 1.00 1.16 H new ATOM 2875 N GLY B 81 -4.018 -1.617 -5.574 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.991 -0.227 -5.998 1.00 0.49 C ATOM 2877 C GLY B 81 -4.515 0.731 -4.936 1.00 0.43 C ATOM 2878 O GLY B 81 -4.430 1.947 -5.099 1.00 0.43 O ATOM 0 H GLY B 81 -4.833 -2.144 -5.887 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.968 0.049 -6.255 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.588 -0.118 -6.904 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.061 0.186 -3.849 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.626 0.997 -2.776 1.00 0.39 C ATOM 2884 C GLU B 82 -4.558 1.519 -1.849 1.00 0.33 C ATOM 2885 O GLU B 82 -4.378 2.727 -1.702 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.590 0.168 -1.958 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.745 -0.418 -2.757 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.616 0.647 -3.393 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.229 1.437 -2.646 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.690 0.688 -4.639 1.00 1.48 O ATOM 0 H GLU B 82 -5.123 -0.820 -3.690 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.135 1.840 -3.243 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -6.041 -0.646 -1.485 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.994 0.787 -1.157 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.349 -1.070 -3.535 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.357 -1.038 -2.102 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.843 0.594 -1.218 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.793 0.953 -0.286 1.00 0.35 C ATOM 2899 C LEU B 83 -1.879 1.976 -0.920 1.00 0.34 C ATOM 2900 O LEU B 83 -1.224 2.761 -0.234 1.00 0.41 O ATOM 2901 CB LEU B 83 -2.004 -0.284 0.136 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.274 -0.760 1.564 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -1.522 -2.052 1.844 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.882 0.314 2.566 1.00 1.31 C ATOM 0 H LEU B 83 -3.976 -0.410 -1.339 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.244 1.386 0.607 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.234 -1.097 -0.553 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.940 -0.071 0.034 1.00 0.43 H new ATOM 0 HG LEU B 83 -3.342 -0.953 1.668 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -1.725 -2.377 2.864 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -1.849 -2.822 1.146 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -0.452 -1.884 1.723 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -2.081 -0.042 3.577 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.820 0.538 2.462 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -2.463 1.217 2.378 1.00 1.31 H new ATOM 2916 N ALA B 84 -1.843 1.957 -2.245 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.024 2.904 -2.971 1.00 0.37 C ATOM 2918 C ALA B 84 -1.717 4.254 -3.106 1.00 0.41 C ATOM 2919 O ALA B 84 -1.065 5.298 -3.098 1.00 0.47 O ATOM 2920 CB ALA B 84 -0.659 2.358 -4.331 1.00 0.41 C ATOM 0 H ALA B 84 -2.366 1.304 -2.829 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.109 3.056 -2.399 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.043 3.084 -4.861 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.102 1.428 -4.212 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -1.568 2.167 -4.902 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.044 4.234 -3.228 1.00 0.42 N ATOM 2927 CA LYS B 85 -3.805 5.471 -3.351 1.00 0.51 C ATOM 2928 C LYS B 85 -3.583 6.372 -2.150 1.00 0.50 C ATOM 2929 O LYS B 85 -3.952 7.542 -2.166 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.283 5.189 -3.593 1.00 0.62 C ATOM 2931 CG LYS B 85 -5.596 5.001 -5.072 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.069 4.738 -5.316 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.490 3.402 -4.735 1.00 1.56 C ATOM 2934 NZ LYS B 85 -6.907 2.265 -5.501 1.00 2.69 N ATOM 0 H LYS B 85 -3.607 3.383 -3.244 1.00 0.42 H new ATOM 0 HA LYS B 85 -3.437 6.008 -4.225 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.575 4.294 -3.044 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -5.878 6.013 -3.199 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -5.291 5.891 -5.622 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.010 4.169 -5.463 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -7.663 5.535 -4.869 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.271 4.752 -6.387 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.173 3.341 -3.694 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -8.577 3.327 -4.742 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -7.242 1.367 -5.098 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -7.202 2.329 -6.496 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -5.869 2.304 -5.444 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.009 5.821 -1.095 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.679 6.611 0.073 1.00 0.45 C ATOM 2950 C GLU B 86 -1.359 7.320 -0.168 1.00 0.44 C ATOM 2951 O GLU B 86 -1.246 8.534 -0.017 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.554 5.738 1.314 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.483 4.546 1.325 1.00 0.98 C ATOM 2954 CD GLU B 86 -4.935 4.930 1.150 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.222 5.800 0.300 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -5.787 4.355 1.855 1.00 2.90 O ATOM 0 H GLU B 86 -2.763 4.833 -1.025 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.480 7.332 0.239 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.526 5.385 1.395 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.752 6.348 2.196 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.195 3.860 0.528 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.365 4.009 2.266 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.365 6.530 -0.564 1.00 0.44 N ATOM 2964 CA VAL B 87 0.972 7.034 -0.828 1.00 0.46 C ATOM 2965 C VAL B 87 1.047 7.841 -2.128 1.00 0.46 C ATOM 2966 O VAL B 87 2.073 8.453 -2.424 1.00 0.54 O ATOM 2967 CB VAL B 87 1.995 5.881 -0.865 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.380 6.406 -1.173 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.991 5.129 0.457 1.00 0.81 C ATOM 0 H VAL B 87 -0.467 5.526 -0.710 1.00 0.44 H new ATOM 0 HA VAL B 87 1.219 7.708 -0.008 1.00 0.46 H new ATOM 0 HB VAL B 87 1.708 5.190 -1.658 1.00 0.55 H new ATOM 0 HG11 VAL B 87 4.087 5.577 -1.195 1.00 1.01 H new ATOM 0 HG12 VAL B 87 3.373 6.903 -2.143 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.679 7.118 -0.403 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.718 4.318 0.416 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.254 5.812 1.265 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.998 4.718 0.639 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.038 7.858 -2.892 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.065 8.591 -4.154 1.00 0.51 C ATOM 2981 C ARG B 88 -0.042 10.101 -3.919 1.00 0.50 C ATOM 2982 O ARG B 88 0.951 10.762 -4.214 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.298 8.179 -4.960 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.155 8.404 -6.458 1.00 0.67 C ATOM 2985 CD ARG B 88 -0.889 9.864 -6.785 1.00 1.33 C ATOM 2986 NE ARG B 88 -1.938 10.741 -6.273 1.00 1.83 N ATOM 2987 CZ ARG B 88 -1.937 12.060 -6.430 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -0.940 12.651 -7.073 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -2.930 12.790 -5.943 1.00 3.50 N ATOM 0 H ARG B 88 -0.907 7.376 -2.663 1.00 0.49 H new ATOM 0 HA ARG B 88 0.830 8.340 -4.723 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.504 7.124 -4.778 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.161 8.739 -4.599 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -0.340 7.791 -6.842 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -2.064 8.078 -6.963 1.00 0.67 H new ATOM 0 HD2 ARG B 88 0.070 10.161 -6.361 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -0.811 9.985 -7.865 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.715 10.317 -5.766 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -0.173 12.093 -7.448 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -0.940 13.664 -7.193 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.698 12.339 -5.446 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -2.926 13.803 -6.065 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.132 10.643 -3.389 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.207 12.075 -3.103 1.00 0.49 C ATOM 3005 C LYS B 89 -0.152 12.431 -2.089 1.00 0.48 C ATOM 3006 O LYS B 89 0.445 13.507 -2.118 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.570 12.457 -2.533 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.081 11.514 -1.446 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.371 10.816 -1.892 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.273 10.182 -3.283 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.598 9.719 -3.780 1.00 3.29 N ATOM 0 H LYS B 89 -1.973 10.118 -3.149 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.052 12.615 -4.037 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.511 13.466 -2.124 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.296 12.484 -3.345 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.319 10.769 -1.218 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.264 12.074 -0.529 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.626 10.044 -1.167 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.186 11.539 -1.888 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.856 10.906 -3.983 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -3.584 9.338 -3.249 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -5.460 9.016 -4.533 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -6.131 9.288 -2.998 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -6.130 10.529 -4.157 1.00 3.29 H new ATOM 3025 N GLU B 90 0.058 11.494 -1.190 1.00 0.47 N ATOM 3026 CA GLU B 90 1.020 11.630 -0.136 1.00 0.52 C ATOM 3027 C GLU B 90 2.426 11.773 -0.704 1.00 0.56 C ATOM 3028 O GLU B 90 3.352 12.165 0.005 1.00 0.62 O ATOM 3029 CB GLU B 90 0.889 10.415 0.759 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.370 10.451 1.597 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.367 11.607 2.580 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.226 11.462 3.669 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.962 12.657 2.259 1.00 1.93 O ATOM 0 H GLU B 90 -0.445 10.607 -1.177 1.00 0.47 H new ATOM 0 HA GLU B 90 0.834 12.533 0.446 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.889 9.514 0.146 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.758 10.355 1.415 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -1.238 10.534 0.943 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -0.470 9.512 2.142 1.00 0.62 H new ATOM 3040 N LYS B 91 2.585 11.451 -1.991 1.00 0.54 N ATOM 3041 CA LYS B 91 3.874 11.587 -2.644 1.00 0.61 C ATOM 3042 C LYS B 91 4.382 13.011 -2.460 1.00 0.63 C ATOM 3043 O LYS B 91 5.531 13.238 -2.084 1.00 0.70 O ATOM 3044 CB LYS B 91 3.767 11.241 -4.135 1.00 0.62 C ATOM 3045 CG LYS B 91 3.129 12.328 -4.986 1.00 0.61 C ATOM 3046 CD LYS B 91 3.019 11.899 -6.441 1.00 0.67 C ATOM 3047 CE LYS B 91 2.498 13.027 -7.316 1.00 0.70 C ATOM 3048 NZ LYS B 91 3.428 14.189 -7.335 1.00 1.38 N ATOM 0 H LYS B 91 1.839 11.098 -2.591 1.00 0.54 H new ATOM 0 HA LYS B 91 4.580 10.891 -2.191 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.765 11.033 -4.520 1.00 0.62 H new ATOM 0 HB3 LYS B 91 3.187 10.324 -4.242 1.00 0.62 H new ATOM 0 HG2 LYS B 91 2.138 12.562 -4.598 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.721 13.241 -4.918 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.996 11.579 -6.802 1.00 0.67 H new ATOM 0 HD3 LYS B 91 2.353 11.039 -6.519 1.00 0.67 H new ATOM 0 HE2 LYS B 91 2.353 12.661 -8.332 1.00 0.70 H new ATOM 0 HE3 LYS B 91 1.522 13.349 -6.951 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 3.188 14.812 -8.132 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 3.341 14.718 -6.444 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 4.405 13.850 -7.442 1.00 1.38 H new ATOM 3062 N ALA B 92 3.497 13.962 -2.735 1.00 0.60 N ATOM 3063 CA ALA B 92 3.813 15.377 -2.592 1.00 0.65 C ATOM 3064 C ALA B 92 3.673 15.838 -1.148 1.00 0.63 C ATOM 3065 O ALA B 92 4.221 16.870 -0.767 1.00 0.69 O ATOM 3066 CB ALA B 92 2.931 16.212 -3.507 1.00 0.73 C ATOM 0 H ALA B 92 2.548 13.776 -3.061 1.00 0.60 H new ATOM 0 HA ALA B 92 4.854 15.517 -2.883 1.00 0.65 H new ATOM 0 HB1 ALA B 92 3.179 17.267 -3.388 1.00 0.73 H new ATOM 0 HB2 ALA B 92 3.096 15.914 -4.542 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.884 16.054 -3.247 1.00 0.73 H new ATOM 3072 N LEU B 93 2.915 15.099 -0.347 1.00 0.62 N ATOM 3073 CA LEU B 93 2.758 15.466 1.051 1.00 0.65 C ATOM 3074 C LEU B 93 3.948 14.978 1.857 1.00 0.59 C ATOM 3075 O LEU B 93 4.297 15.557 2.885 1.00 0.63 O ATOM 3076 CB LEU B 93 1.470 14.913 1.651 1.00 0.74 C ATOM 3077 CG LEU B 93 1.030 15.646 2.916 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.039 16.676 2.590 1.00 1.03 C ATOM 3079 CD2 LEU B 93 0.534 14.667 3.969 1.00 0.95 C ATOM 0 H LEU B 93 2.410 14.261 -0.634 1.00 0.62 H new ATOM 0 HA LEU B 93 2.703 16.554 1.094 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.675 14.976 0.908 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.609 13.857 1.881 1.00 0.74 H new ATOM 0 HG LEU B 93 1.896 16.167 3.325 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.341 17.189 3.503 1.00 1.03 H new ATOM 0 HD12 LEU B 93 0.359 17.402 1.881 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -0.903 16.177 2.152 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.227 15.215 4.860 1.00 0.95 H new ATOM 0 HD22 LEU B 93 -0.316 14.109 3.575 1.00 0.95 H new ATOM 0 HD23 LEU B 93 1.335 13.974 4.228 1.00 0.95 H new ATOM 3091 N GLY B 94 4.572 13.901 1.383 1.00 0.53 N ATOM 3092 CA GLY B 94 5.730 13.356 2.066 1.00 0.51 C ATOM 3093 C GLY B 94 6.719 14.436 2.433 1.00 0.52 C ATOM 3094 O GLY B 94 7.346 14.389 3.492 1.00 0.57 O ATOM 0 H GLY B 94 4.295 13.398 0.540 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.409 12.834 2.968 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.216 12.619 1.427 1.00 0.51 H new ATOM 3098 N ILE B 95 6.857 15.411 1.545 1.00 0.53 N ATOM 3099 CA ILE B 95 7.768 16.517 1.766 1.00 0.57 C ATOM 3100 C ILE B 95 7.259 17.456 2.828 1.00 0.60 C ATOM 3101 O ILE B 95 7.016 18.635 2.566 1.00 0.67 O ATOM 3102 CB ILE B 95 8.025 17.312 0.485 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.717 17.690 -0.200 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.870 16.487 -0.424 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.856 18.841 -1.174 1.00 1.68 C ATOM 0 H ILE B 95 6.346 15.455 0.663 1.00 0.53 H new ATOM 0 HA ILE B 95 8.705 16.071 2.100 1.00 0.57 H new ATOM 0 HB ILE B 95 8.541 18.239 0.734 1.00 0.63 H new ATOM 0 HG12 ILE B 95 6.329 16.820 -0.731 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.981 17.954 0.560 1.00 1.32 H new ATOM 0 HG21 ILE B 95 9.063 17.040 -1.343 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.816 16.258 0.067 1.00 1.13 H new ATOM 0 HG23 ILE B 95 8.350 15.559 -0.661 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.887 19.056 -1.624 1.00 1.68 H new ATOM 0 HD12 ILE B 95 7.214 19.724 -0.645 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.567 18.573 -1.955 1.00 1.68 H new ATOM 3117 N ARG B 96 7.093 16.937 4.029 1.00 0.64 N ATOM 3118 CA ARG B 96 6.652 17.774 5.120 1.00 0.74 C ATOM 3119 C ARG B 96 7.685 18.874 5.343 1.00 0.82 C ATOM 3120 O ARG B 96 7.401 19.899 5.963 1.00 0.93 O ATOM 3121 CB ARG B 96 6.419 16.941 6.372 1.00 0.84 C ATOM 3122 CG ARG B 96 5.154 16.108 6.268 1.00 1.65 C ATOM 3123 CD ARG B 96 5.461 14.626 6.169 1.00 2.45 C ATOM 3124 NE ARG B 96 6.264 14.154 7.291 1.00 2.91 N ATOM 3125 CZ ARG B 96 6.793 12.937 7.354 1.00 3.85 C ATOM 3126 NH1 ARG B 96 6.595 12.075 6.366 1.00 4.47 N ATOM 3127 NH2 ARG B 96 7.516 12.580 8.407 1.00 4.48 N ATOM 0 H ARG B 96 7.254 15.959 4.269 1.00 0.64 H new ATOM 0 HA ARG B 96 5.698 18.241 4.875 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.274 16.285 6.536 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.351 17.599 7.239 1.00 0.84 H new ATOM 0 HG2 ARG B 96 4.526 16.291 7.140 1.00 1.65 H new ATOM 0 HG3 ARG B 96 4.584 16.420 5.393 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.527 14.065 6.131 1.00 2.45 H new ATOM 0 HD3 ARG B 96 5.990 14.428 5.237 1.00 2.45 H new ATOM 0 HE ARG B 96 6.428 14.793 8.069 1.00 2.91 H new ATOM 0 HH11 ARG B 96 6.036 12.346 5.557 1.00 4.47 H new ATOM 0 HH12 ARG B 96 7.002 11.141 6.415 1.00 4.47 H new ATOM 0 HH21 ARG B 96 7.666 13.240 9.170 1.00 4.48 H new ATOM 0 HH22 ARG B 96 7.922 11.645 8.454 1.00 4.48 H new ATOM 3141 N LYS B 97 8.896 18.644 4.818 1.00 0.82 N ATOM 3142 CA LYS B 97 9.964 19.624 4.897 1.00 0.94 C ATOM 3143 C LYS B 97 9.868 20.561 3.703 1.00 0.93 C ATOM 3144 O LYS B 97 10.546 20.373 2.693 1.00 0.98 O ATOM 3145 CB LYS B 97 11.354 18.961 4.935 1.00 1.07 C ATOM 3146 CG LYS B 97 11.404 17.544 4.375 1.00 1.00 C ATOM 3147 CD LYS B 97 10.897 16.539 5.397 1.00 1.56 C ATOM 3148 CE LYS B 97 10.564 15.202 4.761 1.00 1.83 C ATOM 3149 NZ LYS B 97 10.386 14.136 5.787 1.00 2.90 N ATOM 0 H LYS B 97 9.151 17.783 4.335 1.00 0.82 H new ATOM 0 HA LYS B 97 9.846 20.182 5.826 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.052 19.582 4.375 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.703 18.941 5.967 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.800 17.485 3.470 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.427 17.296 4.092 1.00 1.00 H new ATOM 0 HD2 LYS B 97 11.652 16.395 6.170 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.010 16.938 5.889 1.00 1.56 H new ATOM 0 HE2 LYS B 97 9.652 15.296 4.171 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.360 14.917 4.074 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 9.759 13.395 5.413 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.311 13.722 6.021 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 9.964 14.546 6.644 1.00 2.90 H new ATOM 3163 N LYS B 98 9.009 21.567 3.824 1.00 0.96 N ATOM 3164 CA LYS B 98 8.809 22.531 2.754 1.00 1.06 C ATOM 3165 C LYS B 98 9.369 23.897 3.137 1.00 1.21 C ATOM 3166 O LYS B 98 10.557 24.150 2.851 1.00 1.61 O ATOM 3167 CB LYS B 98 7.319 22.651 2.421 1.00 1.07 C ATOM 3168 CG LYS B 98 6.644 21.320 2.114 1.00 1.07 C ATOM 3169 CD LYS B 98 5.259 21.532 1.521 1.00 1.52 C ATOM 3170 CE LYS B 98 4.610 20.215 1.129 1.00 2.00 C ATOM 3171 NZ LYS B 98 3.243 20.413 0.573 1.00 2.73 N ATOM 3172 OXT LYS B 98 8.613 24.703 3.721 1.00 1.70 O ATOM 0 H LYS B 98 8.441 21.734 4.654 1.00 0.96 H new ATOM 0 HA LYS B 98 9.345 22.175 1.874 1.00 1.06 H new ATOM 0 HB2 LYS B 98 6.806 23.122 3.260 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.201 23.313 1.563 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.258 20.750 1.417 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.566 20.729 3.027 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.628 22.048 2.245 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.332 22.177 0.645 1.00 1.52 H new ATOM 0 HE2 LYS B 98 5.232 19.709 0.391 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.556 19.563 2.001 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.835 19.491 0.318 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.641 20.873 1.286 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.296 21.014 -0.274 1.00 2.73 H new TER 3186 LYS B 98