USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1018 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: A 51 THR OG1 : rot 90:sc= -1.08 USER MOD Set 1.2: A 97 MET CE :methyl -160:sc= -7.2! (180deg=-6.9!) USER MOD Set 1.3: A 101 LYS NZ :NH3+ -151:sc= -0.701 (180deg=0.152) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 93:sc= 1.18 USER MOD Set 3.2: A 32 THR OG1 : rot 78:sc= 1.21 USER MOD Set 4.1: A 2 SER OG : rot 9:sc= 0.275! USER MOD Set 4.2: A 3 HIS : no HD1:sc= -0.261 K(o=0.013,f=-1.9) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0237 K(o=0.024,f=-8.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 38:sc= -1.43 USER MOD Single : A 36 LYS NZ :NH3+ 166:sc= -0.865 (180deg=-1.07) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -3.15! C(o=-4.3!,f=-3.2!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.472 (180deg=-1.46!) USER MOD Single : A 58 MET CE :methyl -146:sc= -5.07! (180deg=-11.5!) USER MOD Single : A 59 MET CE :methyl 143:sc= -2.79 (180deg=-8.18!) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.957) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= -0.592 (180deg=-1.46) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -117:sc= -0.715 (180deg=-2.35!) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -115:sc= -0.428 (180deg=-4.66!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00892 USER MOD Single : A 92 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.067) USER MOD Single : A 93 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.26) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 99 ASN :FLIP amide:sc= -2.52 F(o=-3.6,f=-2.5) USER MOD Single : A 102 MET CE :methyl 168:sc= -0.0439 (180deg=-0.395) USER MOD Single : A 103 THR OG1 : rot -140:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 130:sc= -0.0271 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.263 -4.420 11.448 1.00 0.00 N ATOM 2 CA PRO A 1 -13.352 -4.495 10.289 1.00 0.00 C ATOM 3 C PRO A 1 -11.919 -4.120 10.667 1.00 0.00 C ATOM 4 O PRO A 1 -11.232 -3.420 9.921 1.00 0.00 O ATOM 5 CB PRO A 1 -13.905 -3.538 9.238 1.00 0.00 C ATOM 6 CG PRO A 1 -14.927 -2.719 9.970 1.00 0.00 C ATOM 7 CD PRO A 1 -15.405 -3.544 11.148 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.760 -4.066 12.261 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.597 -5.354 11.687 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.305 -5.516 9.910 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.118 -2.909 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.354 -4.080 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.494 -1.778 10.310 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.760 -2.468 9.314 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.661 -2.914 12.000 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -16.296 -4.120 10.898 1.00 0.00 H new ATOM 17 N SER A 2 -11.475 -4.591 11.827 1.00 0.00 N ATOM 18 CA SER A 2 -10.126 -4.309 12.304 1.00 0.00 C ATOM 19 C SER A 2 -9.139 -5.351 11.791 1.00 0.00 C ATOM 20 O SER A 2 -9.344 -6.553 11.971 1.00 0.00 O ATOM 21 CB SER A 2 -10.101 -4.275 13.833 1.00 0.00 C ATOM 22 OG SER A 2 -10.115 -5.585 14.372 1.00 0.00 O ATOM 0 H SER A 2 -12.031 -5.171 12.456 1.00 0.00 H new ATOM 0 HA SER A 2 -9.828 -3.333 11.920 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.210 -3.748 14.174 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.962 -3.717 14.202 1.00 0.00 H new ATOM 0 HG SER A 2 -9.998 -6.237 13.650 1.00 0.00 H new ATOM 28 N HIS A 3 -8.066 -4.885 11.161 1.00 0.00 N ATOM 29 CA HIS A 3 -7.041 -5.777 10.629 1.00 0.00 C ATOM 30 C HIS A 3 -7.586 -6.635 9.496 1.00 0.00 C ATOM 31 O HIS A 3 -7.204 -7.794 9.336 1.00 0.00 O ATOM 32 CB HIS A 3 -6.488 -6.659 11.744 1.00 0.00 C ATOM 33 CG HIS A 3 -5.976 -5.869 12.901 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.802 -5.315 13.855 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.717 -5.517 13.243 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.073 -4.652 14.732 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.803 -4.761 14.386 1.00 0.00 N ATOM 0 H HIS A 3 -7.883 -3.894 11.006 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.235 -5.165 10.224 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.270 -7.335 12.089 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.683 -7.278 11.347 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.812 -5.781 12.716 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.451 -4.112 15.588 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.015 -4.350 14.886 1.00 0.00 H new ATOM 46 N SER A 4 -8.472 -6.047 8.704 1.00 0.00 N ATOM 47 CA SER A 4 -9.066 -6.741 7.569 1.00 0.00 C ATOM 48 C SER A 4 -10.014 -5.827 6.810 1.00 0.00 C ATOM 49 O SER A 4 -10.601 -4.907 7.380 1.00 0.00 O ATOM 50 CB SER A 4 -9.811 -8.000 8.015 1.00 0.00 C ATOM 51 OG SER A 4 -10.817 -7.690 8.965 1.00 0.00 O ATOM 0 H SER A 4 -8.796 -5.088 8.827 1.00 0.00 H new ATOM 0 HA SER A 4 -8.252 -7.036 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.262 -8.485 7.149 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.105 -8.710 8.447 1.00 0.00 H new ATOM 0 HG SER A 4 -11.279 -8.512 9.232 1.00 0.00 H new ATOM 57 N GLY A 5 -10.160 -6.090 5.521 1.00 0.00 N ATOM 58 CA GLY A 5 -11.037 -5.290 4.696 1.00 0.00 C ATOM 59 C GLY A 5 -10.985 -5.701 3.247 1.00 0.00 C ATOM 60 O GLY A 5 -9.945 -5.600 2.598 1.00 0.00 O ATOM 0 H GLY A 5 -9.684 -6.847 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.060 -5.381 5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.759 -4.240 4.785 1.00 0.00 H new ATOM 64 N ALA A 6 -12.115 -6.175 2.744 1.00 0.00 N ATOM 65 CA ALA A 6 -12.210 -6.618 1.363 1.00 0.00 C ATOM 66 C ALA A 6 -11.583 -5.606 0.410 1.00 0.00 C ATOM 67 O ALA A 6 -12.153 -4.550 0.138 1.00 0.00 O ATOM 68 CB ALA A 6 -13.655 -6.897 1.005 1.00 0.00 C ATOM 0 H ALA A 6 -12.982 -6.263 3.275 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.646 -7.545 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.716 -7.228 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.048 -7.676 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.243 -5.988 1.130 1.00 0.00 H new ATOM 74 N ALA A 7 -10.392 -5.939 -0.076 1.00 0.00 N ATOM 75 CA ALA A 7 -9.654 -5.063 -0.984 1.00 0.00 C ATOM 76 C ALA A 7 -9.401 -5.731 -2.334 1.00 0.00 C ATOM 77 O ALA A 7 -9.304 -6.951 -2.425 1.00 0.00 O ATOM 78 CB ALA A 7 -8.328 -4.664 -0.351 1.00 0.00 C ATOM 0 H ALA A 7 -9.914 -6.813 0.144 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.263 -4.176 -1.159 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.782 -4.011 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.515 -4.137 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.736 -5.558 -0.152 1.00 0.00 H new ATOM 84 N ILE A 8 -9.275 -4.920 -3.382 1.00 0.00 N ATOM 85 CA ILE A 8 -9.010 -5.441 -4.718 1.00 0.00 C ATOM 86 C ILE A 8 -7.539 -5.294 -5.063 1.00 0.00 C ATOM 87 O ILE A 8 -6.975 -4.203 -4.989 1.00 0.00 O ATOM 88 CB ILE A 8 -9.874 -4.743 -5.796 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.235 -5.428 -5.884 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.198 -4.743 -7.164 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.378 -4.533 -5.499 1.00 0.00 C ATOM 0 H ILE A 8 -9.352 -3.904 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.277 -6.498 -4.709 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.001 -3.702 -5.498 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.389 -5.784 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.235 -6.305 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.841 -4.243 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.246 -4.216 -7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.023 -5.770 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.315 -5.083 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.246 -4.197 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.403 -3.669 -6.163 1.00 0.00 H new ATOM 103 N PHE A 9 -6.924 -6.403 -5.440 1.00 0.00 N ATOM 104 CA PHE A 9 -5.508 -6.394 -5.799 1.00 0.00 C ATOM 105 C PHE A 9 -5.315 -6.696 -7.280 1.00 0.00 C ATOM 106 O PHE A 9 -5.870 -7.659 -7.805 1.00 0.00 O ATOM 107 CB PHE A 9 -4.731 -7.404 -4.956 1.00 0.00 C ATOM 108 CG PHE A 9 -3.257 -7.117 -4.898 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.798 -5.833 -4.644 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.332 -8.128 -5.099 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.444 -5.565 -4.593 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.976 -7.866 -5.050 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.531 -6.582 -4.796 1.00 0.00 C ATOM 0 H PHE A 9 -7.375 -7.316 -5.506 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.122 -5.395 -5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.134 -7.408 -3.943 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.884 -8.403 -5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.507 -5.034 -4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.674 -9.133 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.099 -4.561 -4.395 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.265 -8.663 -5.210 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.528 -6.374 -4.756 1.00 0.00 H new ATOM 123 N GLU A 10 -4.521 -5.864 -7.950 1.00 0.00 N ATOM 124 CA GLU A 10 -4.251 -6.043 -9.371 1.00 0.00 C ATOM 125 C GLU A 10 -5.545 -6.081 -10.173 1.00 0.00 C ATOM 126 O GLU A 10 -5.656 -6.818 -11.151 1.00 0.00 O ATOM 127 CB GLU A 10 -3.459 -7.330 -9.601 1.00 0.00 C ATOM 128 CG GLU A 10 -2.192 -7.417 -8.768 1.00 0.00 C ATOM 129 CD GLU A 10 -1.375 -8.658 -9.069 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.902 -9.565 -9.750 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.210 -8.727 -8.623 1.00 0.00 O ATOM 0 H GLU A 10 -4.054 -5.060 -7.530 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.660 -5.193 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.095 -8.185 -9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.196 -7.402 -10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.581 -6.533 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.457 -7.409 -7.711 1.00 0.00 H new ATOM 138 N LYS A 11 -6.531 -5.295 -9.738 1.00 0.00 N ATOM 139 CA LYS A 11 -7.827 -5.254 -10.407 1.00 0.00 C ATOM 140 C LYS A 11 -8.640 -6.499 -10.066 1.00 0.00 C ATOM 141 O LYS A 11 -9.766 -6.664 -10.534 1.00 0.00 O ATOM 142 CB LYS A 11 -7.661 -5.134 -11.926 1.00 0.00 C ATOM 143 CG LYS A 11 -6.652 -4.078 -12.347 1.00 0.00 C ATOM 144 CD LYS A 11 -6.530 -3.998 -13.860 1.00 0.00 C ATOM 145 CE LYS A 11 -7.791 -3.431 -14.492 1.00 0.00 C ATOM 146 NZ LYS A 11 -7.647 -3.261 -15.963 1.00 0.00 N ATOM 0 H LYS A 11 -6.455 -4.681 -8.927 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.361 -4.373 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.352 -6.100 -12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.628 -4.899 -12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.953 -3.107 -11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.679 -4.310 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.677 -3.373 -14.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.335 -4.992 -14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.631 -4.094 -14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.024 -2.469 -14.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.528 -2.872 -16.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.862 -2.609 -16.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.450 -4.183 -16.401 1.00 0.00 H new ATOM 160 N VAL A 12 -8.070 -7.363 -9.226 1.00 0.00 N ATOM 161 CA VAL A 12 -8.747 -8.572 -8.804 1.00 0.00 C ATOM 162 C VAL A 12 -9.346 -8.362 -7.435 1.00 0.00 C ATOM 163 O VAL A 12 -8.899 -7.510 -6.672 1.00 0.00 O ATOM 164 CB VAL A 12 -7.804 -9.790 -8.784 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.428 -10.966 -8.040 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.469 -10.182 -10.203 1.00 0.00 C ATOM 0 H VAL A 12 -7.139 -7.241 -8.828 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.533 -8.783 -9.529 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.892 -9.516 -8.254 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.736 -11.808 -8.045 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.638 -10.675 -7.011 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.356 -11.256 -8.532 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.802 -11.044 -10.195 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.385 -10.438 -10.736 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.978 -9.348 -10.705 1.00 0.00 H new ATOM 176 N SER A 13 -10.369 -9.124 -7.133 1.00 0.00 N ATOM 177 CA SER A 13 -11.034 -8.979 -5.852 1.00 0.00 C ATOM 178 C SER A 13 -10.572 -10.008 -4.833 1.00 0.00 C ATOM 179 O SER A 13 -10.210 -11.134 -5.173 1.00 0.00 O ATOM 180 CB SER A 13 -12.542 -9.053 -6.022 1.00 0.00 C ATOM 181 OG SER A 13 -12.937 -10.273 -6.627 1.00 0.00 O ATOM 0 H SER A 13 -10.758 -9.842 -7.744 1.00 0.00 H new ATOM 0 HA SER A 13 -10.760 -7.997 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.024 -8.955 -5.049 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.882 -8.216 -6.632 1.00 0.00 H new ATOM 0 HG SER A 13 -13.152 -10.929 -5.931 1.00 0.00 H new ATOM 187 N GLY A 14 -10.593 -9.588 -3.577 1.00 0.00 N ATOM 188 CA GLY A 14 -10.185 -10.430 -2.474 1.00 0.00 C ATOM 189 C GLY A 14 -10.219 -9.653 -1.180 1.00 0.00 C ATOM 190 O GLY A 14 -10.561 -8.473 -1.180 1.00 0.00 O ATOM 0 H GLY A 14 -10.894 -8.654 -3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.845 -11.295 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.179 -10.811 -2.651 1.00 0.00 H new ATOM 194 N ILE A 15 -9.862 -10.287 -0.074 1.00 0.00 N ATOM 195 CA ILE A 15 -9.861 -9.588 1.198 1.00 0.00 C ATOM 196 C ILE A 15 -8.442 -9.302 1.644 1.00 0.00 C ATOM 197 O ILE A 15 -7.539 -10.117 1.463 1.00 0.00 O ATOM 198 CB ILE A 15 -10.617 -10.353 2.314 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.127 -10.439 2.023 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.402 -9.671 3.666 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.540 -10.026 0.625 1.00 0.00 C ATOM 0 H ILE A 15 -9.575 -11.265 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.395 -8.652 1.034 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.214 -11.365 2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.456 -11.464 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.655 -9.811 2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.939 -10.220 4.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.338 -9.659 3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.776 -8.648 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.621 -10.122 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.250 -8.990 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.047 -10.668 -0.105 1.00 0.00 H new ATOM 213 N ILE A 16 -8.261 -8.135 2.236 1.00 0.00 N ATOM 214 CA ILE A 16 -6.963 -7.731 2.722 1.00 0.00 C ATOM 215 C ILE A 16 -6.966 -7.815 4.239 1.00 0.00 C ATOM 216 O ILE A 16 -7.757 -7.152 4.904 1.00 0.00 O ATOM 217 CB ILE A 16 -6.614 -6.291 2.256 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.420 -6.308 1.301 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.331 -5.366 3.428 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.079 -4.942 0.744 1.00 0.00 C ATOM 0 H ILE A 16 -9.002 -7.451 2.390 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.202 -8.397 2.315 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.487 -5.904 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.551 -6.707 1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.634 -6.986 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.092 -4.370 3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.211 -5.312 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.488 -5.752 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.223 -5.025 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.934 -4.550 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.834 -4.266 1.563 1.00 0.00 H new ATOM 232 N ALA A 17 -6.102 -8.659 4.775 1.00 0.00 N ATOM 233 CA ALA A 17 -6.032 -8.850 6.213 1.00 0.00 C ATOM 234 C ALA A 17 -4.659 -8.478 6.752 1.00 0.00 C ATOM 235 O ALA A 17 -3.633 -8.790 6.148 1.00 0.00 O ATOM 236 CB ALA A 17 -6.397 -10.283 6.558 1.00 0.00 C ATOM 0 H ALA A 17 -5.441 -9.221 4.239 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.751 -8.185 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.343 -10.422 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.410 -10.493 6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.700 -10.964 6.069 1.00 0.00 H new ATOM 242 N ILE A 18 -4.653 -7.791 7.887 1.00 0.00 N ATOM 243 CA ILE A 18 -3.419 -7.349 8.512 1.00 0.00 C ATOM 244 C ILE A 18 -3.157 -8.110 9.810 1.00 0.00 C ATOM 245 O ILE A 18 -4.076 -8.381 10.579 1.00 0.00 O ATOM 246 CB ILE A 18 -3.479 -5.832 8.787 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.568 -5.071 7.461 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.278 -5.368 9.598 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.634 -3.569 7.620 1.00 0.00 C ATOM 0 H ILE A 18 -5.497 -7.528 8.395 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.597 -7.556 7.827 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.370 -5.622 9.379 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.702 -5.324 6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.451 -5.408 6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.351 -4.295 9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.260 -5.892 10.553 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.362 -5.584 9.048 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.695 -3.101 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.515 -3.303 8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.739 -3.218 8.134 1.00 0.00 H new ATOM 261 N ASN A 19 -1.896 -8.459 10.040 1.00 0.00 N ATOM 262 CA ASN A 19 -1.519 -9.196 11.241 1.00 0.00 C ATOM 263 C ASN A 19 -0.305 -8.564 11.914 1.00 0.00 C ATOM 264 O ASN A 19 0.803 -8.605 11.380 1.00 0.00 O ATOM 265 CB ASN A 19 -1.222 -10.657 10.897 1.00 0.00 C ATOM 266 CG ASN A 19 -1.139 -11.536 12.129 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.272 -11.060 13.256 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.920 -12.830 11.919 1.00 0.00 N ATOM 0 H ASN A 19 -1.120 -8.245 9.414 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.357 -9.156 11.936 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.000 -11.037 10.235 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.281 -10.714 10.349 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.856 -13.471 12.710 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.816 -13.182 10.967 1.00 0.00 H new ATOM 275 N GLU A 20 -0.521 -7.986 13.091 1.00 0.00 N ATOM 276 CA GLU A 20 0.558 -7.349 13.838 1.00 0.00 C ATOM 277 C GLU A 20 1.222 -8.334 14.797 1.00 0.00 C ATOM 278 O GLU A 20 2.122 -7.965 15.551 1.00 0.00 O ATOM 279 CB GLU A 20 0.029 -6.141 14.612 1.00 0.00 C ATOM 280 CG GLU A 20 -0.654 -5.107 13.734 1.00 0.00 C ATOM 281 CD GLU A 20 -1.142 -3.902 14.518 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.033 -3.919 15.763 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.636 -2.942 13.888 1.00 0.00 O ATOM 0 H GLU A 20 -1.432 -7.945 13.548 1.00 0.00 H new ATOM 0 HA GLU A 20 1.307 -7.013 13.121 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.676 -6.485 15.369 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.857 -5.667 15.140 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.041 -4.776 12.962 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.499 -5.570 13.225 1.00 0.00 H new ATOM 290 N ASP A 21 0.785 -9.588 14.756 1.00 0.00 N ATOM 291 CA ASP A 21 1.350 -10.622 15.611 1.00 0.00 C ATOM 292 C ASP A 21 2.679 -11.113 15.047 1.00 0.00 C ATOM 293 O ASP A 21 3.470 -11.742 15.750 1.00 0.00 O ATOM 294 CB ASP A 21 0.377 -11.793 15.735 1.00 0.00 C ATOM 295 CG ASP A 21 -0.910 -11.406 16.437 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.929 -10.352 17.106 1.00 0.00 O ATOM 297 OD2 ASP A 21 -1.899 -12.161 16.321 1.00 0.00 O ATOM 0 H ASP A 21 0.040 -9.912 14.139 1.00 0.00 H new ATOM 0 HA ASP A 21 1.523 -10.195 16.599 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.144 -12.175 14.741 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.857 -12.604 16.284 1.00 0.00 H new ATOM 302 N VAL A 22 2.914 -10.820 13.772 1.00 0.00 N ATOM 303 CA VAL A 22 4.139 -11.228 13.107 1.00 0.00 C ATOM 304 C VAL A 22 5.133 -10.074 13.040 1.00 0.00 C ATOM 305 O VAL A 22 4.749 -8.923 12.825 1.00 0.00 O ATOM 306 CB VAL A 22 3.870 -11.746 11.677 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.803 -13.264 11.662 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.597 -11.144 11.097 1.00 0.00 C ATOM 0 H VAL A 22 2.267 -10.299 13.180 1.00 0.00 H new ATOM 0 HA VAL A 22 4.562 -12.040 13.699 1.00 0.00 H new ATOM 0 HB VAL A 22 4.701 -11.430 11.047 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.613 -13.610 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.750 -13.673 12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.998 -13.599 12.316 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.438 -11.530 10.090 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.748 -11.412 11.726 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.692 -10.059 11.059 1.00 0.00 H new ATOM 318 N SER A 23 6.412 -10.388 13.222 1.00 0.00 N ATOM 319 CA SER A 23 7.459 -9.374 13.179 1.00 0.00 C ATOM 320 C SER A 23 8.390 -9.606 11.986 1.00 0.00 C ATOM 321 O SER A 23 9.070 -10.632 11.917 1.00 0.00 O ATOM 322 CB SER A 23 8.259 -9.386 14.482 1.00 0.00 C ATOM 323 OG SER A 23 9.539 -8.803 14.304 1.00 0.00 O ATOM 0 H SER A 23 6.747 -11.335 13.400 1.00 0.00 H new ATOM 0 HA SER A 23 6.987 -8.398 13.062 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.713 -8.842 15.252 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.370 -10.412 14.834 1.00 0.00 H new ATOM 0 HG SER A 23 10.028 -8.822 15.153 1.00 0.00 H new ATOM 329 N PRO A 24 8.440 -8.660 11.028 1.00 0.00 N ATOM 330 CA PRO A 24 7.656 -7.426 11.061 1.00 0.00 C ATOM 331 C PRO A 24 6.228 -7.646 10.573 1.00 0.00 C ATOM 332 O PRO A 24 5.994 -8.418 9.643 1.00 0.00 O ATOM 333 CB PRO A 24 8.409 -6.483 10.108 1.00 0.00 C ATOM 334 CG PRO A 24 9.551 -7.272 9.541 1.00 0.00 C ATOM 335 CD PRO A 24 9.270 -8.721 9.827 1.00 0.00 C ATOM 0 HA PRO A 24 7.562 -7.032 12.073 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.752 -6.128 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.772 -5.603 10.639 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.642 -7.101 8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.494 -6.965 9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.749 -9.203 9.000 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.187 -9.285 9.998 1.00 0.00 H new ATOM 343 N ALA A 25 5.272 -6.965 11.205 1.00 0.00 N ATOM 344 CA ALA A 25 3.865 -7.090 10.829 1.00 0.00 C ATOM 345 C ALA A 25 3.693 -7.010 9.315 1.00 0.00 C ATOM 346 O ALA A 25 4.380 -6.239 8.644 1.00 0.00 O ATOM 347 CB ALA A 25 3.037 -6.013 11.514 1.00 0.00 C ATOM 0 H ALA A 25 5.446 -6.323 11.978 1.00 0.00 H new ATOM 0 HA ALA A 25 3.512 -8.067 11.158 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.991 -6.119 11.224 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.127 -6.118 12.595 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.399 -5.030 11.214 1.00 0.00 H new ATOM 353 N GLU A 26 2.783 -7.817 8.780 1.00 0.00 N ATOM 354 CA GLU A 26 2.541 -7.838 7.341 1.00 0.00 C ATOM 355 C GLU A 26 1.050 -7.855 7.019 1.00 0.00 C ATOM 356 O GLU A 26 0.214 -8.096 7.890 1.00 0.00 O ATOM 357 CB GLU A 26 3.218 -9.058 6.714 1.00 0.00 C ATOM 358 CG GLU A 26 4.677 -9.220 7.113 1.00 0.00 C ATOM 359 CD GLU A 26 5.385 -10.296 6.313 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.697 -11.068 5.613 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.630 -10.366 6.386 1.00 0.00 O ATOM 0 H GLU A 26 2.203 -8.462 9.317 1.00 0.00 H new ATOM 0 HA GLU A 26 2.965 -6.926 6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.670 -9.955 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.154 -8.980 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.195 -8.271 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.735 -9.464 8.174 1.00 0.00 H new ATOM 368 N LEU A 27 0.736 -7.607 5.752 1.00 0.00 N ATOM 369 CA LEU A 27 -0.644 -7.599 5.281 1.00 0.00 C ATOM 370 C LEU A 27 -0.812 -8.634 4.172 1.00 0.00 C ATOM 371 O LEU A 27 -0.022 -8.676 3.230 1.00 0.00 O ATOM 372 CB LEU A 27 -1.019 -6.204 4.772 1.00 0.00 C ATOM 373 CG LEU A 27 -2.350 -6.113 4.021 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.910 -4.700 4.096 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.173 -6.540 2.569 1.00 0.00 C ATOM 0 H LEU A 27 1.425 -7.407 5.027 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.308 -7.854 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.054 -5.523 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.225 -5.851 4.114 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.060 -6.790 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.856 -4.654 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.073 -4.428 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.202 -4.004 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.129 -6.469 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.447 -5.887 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.816 -7.569 2.533 1.00 0.00 H new ATOM 387 N THR A 28 -1.828 -9.481 4.297 1.00 0.00 N ATOM 388 CA THR A 28 -2.064 -10.524 3.305 1.00 0.00 C ATOM 389 C THR A 28 -3.406 -10.355 2.601 1.00 0.00 C ATOM 390 O THR A 28 -4.454 -10.265 3.239 1.00 0.00 O ATOM 391 CB THR A 28 -1.999 -11.901 3.967 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.773 -12.069 4.657 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.134 -13.044 2.986 1.00 0.00 C ATOM 0 H THR A 28 -2.496 -9.467 5.068 1.00 0.00 H new ATOM 0 HA THR A 28 -1.282 -10.438 2.551 1.00 0.00 H new ATOM 0 HB THR A 28 -2.845 -11.931 4.653 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.752 -12.955 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.079 -13.992 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.093 -12.972 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.327 -12.993 2.255 1.00 0.00 H new ATOM 401 N TRP A 29 -3.356 -10.336 1.272 1.00 0.00 N ATOM 402 CA TRP A 29 -4.540 -10.205 0.450 1.00 0.00 C ATOM 403 C TRP A 29 -4.952 -11.570 -0.087 1.00 0.00 C ATOM 404 O TRP A 29 -4.136 -12.289 -0.662 1.00 0.00 O ATOM 405 CB TRP A 29 -4.260 -9.257 -0.714 1.00 0.00 C ATOM 406 CG TRP A 29 -5.400 -9.151 -1.672 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.582 -8.524 -1.448 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.472 -9.695 -2.993 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.393 -8.629 -2.551 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.732 -9.348 -3.515 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.595 -10.437 -3.786 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.136 -9.720 -4.795 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.995 -10.809 -5.056 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.255 -10.448 -5.550 1.00 0.00 C ATOM 0 H TRP A 29 -2.489 -10.412 0.740 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.350 -9.800 1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.031 -8.267 -0.321 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.375 -9.600 -1.249 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.847 -8.015 -0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.331 -8.238 -2.639 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.620 -10.716 -3.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.108 -9.445 -5.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.326 -11.387 -5.677 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.538 -10.750 -6.548 1.00 0.00 H new ATOM 425 N ARG A 30 -6.214 -11.926 0.103 1.00 0.00 N ATOM 426 CA ARG A 30 -6.714 -13.214 -0.367 1.00 0.00 C ATOM 427 C ARG A 30 -7.930 -13.034 -1.267 1.00 0.00 C ATOM 428 O ARG A 30 -8.969 -12.544 -0.830 1.00 0.00 O ATOM 429 CB ARG A 30 -7.069 -14.111 0.820 1.00 0.00 C ATOM 430 CG ARG A 30 -7.565 -15.490 0.412 1.00 0.00 C ATOM 431 CD ARG A 30 -6.428 -16.362 -0.095 1.00 0.00 C ATOM 432 NE ARG A 30 -6.901 -17.667 -0.553 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.109 -18.720 -0.735 1.00 0.00 C ATOM 434 NH1 ARG A 30 -4.805 -18.628 -0.503 1.00 0.00 N ATOM 435 NH2 ARG A 30 -6.622 -19.870 -1.154 1.00 0.00 N ATOM 0 H ARG A 30 -6.908 -11.347 0.576 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.925 -13.689 -0.949 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.191 -14.223 1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.836 -13.620 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.043 -15.973 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.323 -15.390 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.918 -15.853 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.695 -16.501 0.700 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.897 -17.777 -0.744 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.405 -17.746 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.203 -19.439 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.623 -19.946 -1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.016 -20.678 -1.294 1.00 0.00 H new ATOM 449 N SER A 31 -7.792 -13.439 -2.528 1.00 0.00 N ATOM 450 CA SER A 31 -8.882 -13.326 -3.496 1.00 0.00 C ATOM 451 C SER A 31 -10.200 -13.804 -2.894 1.00 0.00 C ATOM 452 O SER A 31 -10.215 -14.451 -1.846 1.00 0.00 O ATOM 453 CB SER A 31 -8.563 -14.138 -4.752 1.00 0.00 C ATOM 454 OG SER A 31 -7.263 -13.847 -5.232 1.00 0.00 O ATOM 0 H SER A 31 -6.937 -13.848 -2.904 1.00 0.00 H new ATOM 0 HA SER A 31 -8.985 -12.275 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.642 -15.202 -4.530 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.298 -13.918 -5.527 1.00 0.00 H new ATOM 0 HG SER A 31 -6.654 -13.726 -4.474 1.00 0.00 H new ATOM 460 N THR A 32 -11.304 -13.492 -3.564 1.00 0.00 N ATOM 461 CA THR A 32 -12.616 -13.900 -3.095 1.00 0.00 C ATOM 462 C THR A 32 -12.790 -15.390 -3.310 1.00 0.00 C ATOM 463 O THR A 32 -13.313 -16.107 -2.456 1.00 0.00 O ATOM 464 CB THR A 32 -13.712 -13.130 -3.835 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.149 -12.186 -4.730 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.641 -12.381 -2.909 1.00 0.00 C ATOM 0 H THR A 32 -11.313 -12.958 -4.433 1.00 0.00 H new ATOM 0 HA THR A 32 -12.697 -13.677 -2.031 1.00 0.00 H new ATOM 0 HB THR A 32 -14.285 -13.887 -4.370 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.837 -12.646 -5.537 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.395 -11.856 -3.496 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.130 -13.086 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.069 -11.660 -2.325 1.00 0.00 H new ATOM 474 N ASP A 33 -12.333 -15.840 -4.464 1.00 0.00 N ATOM 475 CA ASP A 33 -12.414 -17.239 -4.829 1.00 0.00 C ATOM 476 C ASP A 33 -11.233 -18.023 -4.259 1.00 0.00 C ATOM 477 O ASP A 33 -11.291 -19.247 -4.135 1.00 0.00 O ATOM 478 CB ASP A 33 -12.462 -17.395 -6.350 1.00 0.00 C ATOM 479 CG ASP A 33 -13.723 -16.806 -6.952 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.690 -16.572 -6.195 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.744 -16.578 -8.180 1.00 0.00 O ATOM 0 H ASP A 33 -11.897 -15.248 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.333 -17.643 -4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.591 -16.909 -6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.400 -18.453 -6.606 1.00 0.00 H new ATOM 486 N GLY A 34 -10.164 -17.310 -3.915 1.00 0.00 N ATOM 487 CA GLY A 34 -8.987 -17.955 -3.364 1.00 0.00 C ATOM 488 C GLY A 34 -8.028 -18.424 -4.440 1.00 0.00 C ATOM 489 O GLY A 34 -7.363 -19.448 -4.284 1.00 0.00 O ATOM 0 H GLY A 34 -10.093 -16.297 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.472 -17.260 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.293 -18.807 -2.758 1.00 0.00 H new ATOM 493 N ASP A 35 -7.957 -17.675 -5.535 1.00 0.00 N ATOM 494 CA ASP A 35 -7.074 -18.024 -6.643 1.00 0.00 C ATOM 495 C ASP A 35 -5.794 -17.194 -6.619 1.00 0.00 C ATOM 496 O ASP A 35 -4.774 -17.597 -7.178 1.00 0.00 O ATOM 497 CB ASP A 35 -7.796 -17.828 -7.978 1.00 0.00 C ATOM 498 CG ASP A 35 -8.966 -18.776 -8.150 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.050 -19.761 -7.384 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.800 -18.535 -9.048 1.00 0.00 O ATOM 0 H ASP A 35 -8.499 -16.823 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.800 -19.073 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.152 -16.800 -8.047 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.089 -17.976 -8.795 1.00 0.00 H new ATOM 505 N LYS A 36 -5.851 -16.037 -5.973 1.00 0.00 N ATOM 506 CA LYS A 36 -4.690 -15.154 -5.882 1.00 0.00 C ATOM 507 C LYS A 36 -4.444 -14.720 -4.440 1.00 0.00 C ATOM 508 O LYS A 36 -5.380 -14.389 -3.714 1.00 0.00 O ATOM 509 CB LYS A 36 -4.880 -13.920 -6.767 1.00 0.00 C ATOM 510 CG LYS A 36 -5.643 -14.196 -8.054 1.00 0.00 C ATOM 511 CD LYS A 36 -4.922 -13.624 -9.264 1.00 0.00 C ATOM 512 CE LYS A 36 -4.763 -12.116 -9.155 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.487 -11.491 -10.478 1.00 0.00 N ATOM 0 H LYS A 36 -6.686 -15.686 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.821 -15.712 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.410 -13.156 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.901 -13.510 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.769 -15.271 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.641 -13.763 -7.986 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.941 -14.089 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.478 -13.868 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.670 -11.685 -8.732 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.949 -11.885 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.619 -10.462 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.508 -11.696 -10.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.141 -11.878 -11.188 1.00 0.00 H new ATOM 527 N VAL A 37 -3.179 -14.718 -4.035 1.00 0.00 N ATOM 528 CA VAL A 37 -2.811 -14.318 -2.681 1.00 0.00 C ATOM 529 C VAL A 37 -1.545 -13.465 -2.686 1.00 0.00 C ATOM 530 O VAL A 37 -0.554 -13.813 -3.326 1.00 0.00 O ATOM 531 CB VAL A 37 -2.598 -15.543 -1.769 1.00 0.00 C ATOM 532 CG1 VAL A 37 -1.420 -16.377 -2.252 1.00 0.00 C ATOM 533 CG2 VAL A 37 -2.398 -15.104 -0.327 1.00 0.00 C ATOM 0 H VAL A 37 -2.391 -14.989 -4.624 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.639 -13.728 -2.288 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.491 -16.166 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.288 -17.236 -1.594 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.612 -16.724 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.515 -15.769 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.249 -15.981 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.523 -14.457 -0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.278 -14.558 0.013 1.00 0.00 H new ATOM 543 N HIS A 38 -1.588 -12.345 -1.970 1.00 0.00 N ATOM 544 CA HIS A 38 -0.443 -11.442 -1.894 1.00 0.00 C ATOM 545 C HIS A 38 -0.137 -11.060 -0.452 1.00 0.00 C ATOM 546 O HIS A 38 -1.037 -10.932 0.374 1.00 0.00 O ATOM 547 CB HIS A 38 -0.693 -10.179 -2.713 1.00 0.00 C ATOM 548 CG HIS A 38 0.546 -9.372 -2.958 1.00 0.00 C ATOM 549 ND1 HIS A 38 0.898 -8.139 -2.524 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.594 -9.818 -3.734 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.140 -7.865 -3.040 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.539 -8.895 -3.765 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.402 -12.041 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 38 0.416 -11.971 -2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.131 -10.457 -3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.425 -9.559 -2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.636 -10.772 -4.238 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.700 -6.956 -2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.426 -8.966 -4.264 1.00 0.00 H new ATOM 561 N THR A 39 1.142 -10.881 -0.163 1.00 0.00 N ATOM 562 CA THR A 39 1.583 -10.511 1.177 1.00 0.00 C ATOM 563 C THR A 39 2.513 -9.301 1.133 1.00 0.00 C ATOM 564 O THR A 39 3.428 -9.240 0.312 1.00 0.00 O ATOM 565 CB THR A 39 2.292 -11.689 1.847 1.00 0.00 C ATOM 566 OG1 THR A 39 1.462 -12.837 1.850 1.00 0.00 O ATOM 567 CG2 THR A 39 2.696 -11.411 3.278 1.00 0.00 C ATOM 0 H THR A 39 1.898 -10.986 -0.840 1.00 0.00 H new ATOM 0 HA THR A 39 0.701 -10.246 1.760 1.00 0.00 H new ATOM 0 HB THR A 39 3.195 -11.855 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.933 -13.580 2.281 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.193 -12.288 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.377 -10.561 3.305 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.809 -11.184 3.869 1.00 0.00 H new ATOM 575 N VAL A 40 2.277 -8.343 2.025 1.00 0.00 N ATOM 576 CA VAL A 40 3.099 -7.139 2.088 1.00 0.00 C ATOM 577 C VAL A 40 3.639 -6.907 3.491 1.00 0.00 C ATOM 578 O VAL A 40 2.933 -7.093 4.481 1.00 0.00 O ATOM 579 CB VAL A 40 2.319 -5.876 1.670 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.188 -4.632 1.839 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.818 -5.998 0.238 1.00 0.00 C ATOM 0 H VAL A 40 1.525 -8.377 2.713 1.00 0.00 H new ATOM 0 HA VAL A 40 3.919 -7.307 1.390 1.00 0.00 H new ATOM 0 HB VAL A 40 1.450 -5.778 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.622 -3.750 1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.486 -4.535 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.077 -4.722 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.271 -5.095 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.666 -6.125 -0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.158 -6.861 0.156 1.00 0.00 H new ATOM 591 N VAL A 41 4.883 -6.464 3.562 1.00 0.00 N ATOM 592 CA VAL A 41 5.510 -6.164 4.837 1.00 0.00 C ATOM 593 C VAL A 41 5.153 -4.735 5.244 1.00 0.00 C ATOM 594 O VAL A 41 5.480 -3.780 4.540 1.00 0.00 O ATOM 595 CB VAL A 41 7.045 -6.332 4.755 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.582 -5.688 3.485 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.737 -5.773 5.995 1.00 0.00 C ATOM 0 H VAL A 41 5.479 -6.304 2.750 1.00 0.00 H new ATOM 0 HA VAL A 41 5.141 -6.863 5.587 1.00 0.00 H new ATOM 0 HB VAL A 41 7.266 -7.399 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.664 -5.815 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.126 -6.162 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.341 -4.625 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.815 -5.908 5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.512 -4.711 6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.380 -6.300 6.880 1.00 0.00 H new ATOM 607 N LEU A 42 4.457 -4.601 6.365 1.00 0.00 N ATOM 608 CA LEU A 42 4.027 -3.293 6.846 1.00 0.00 C ATOM 609 C LEU A 42 5.179 -2.500 7.463 1.00 0.00 C ATOM 610 O LEU A 42 5.195 -1.270 7.406 1.00 0.00 O ATOM 611 CB LEU A 42 2.901 -3.454 7.866 1.00 0.00 C ATOM 612 CG LEU A 42 1.645 -4.149 7.334 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.582 -4.236 8.417 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.109 -3.415 6.114 1.00 0.00 C ATOM 0 H LEU A 42 4.178 -5.382 6.959 1.00 0.00 H new ATOM 0 HA LEU A 42 3.665 -2.731 5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.279 -4.020 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.623 -2.468 8.238 1.00 0.00 H new ATOM 0 HG LEU A 42 1.912 -5.163 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.303 -4.733 8.019 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.969 -4.805 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.316 -3.232 8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.216 -3.922 5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.858 -2.390 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.868 -3.407 5.332 1.00 0.00 H new ATOM 626 N SER A 43 6.129 -3.206 8.067 1.00 0.00 N ATOM 627 CA SER A 43 7.271 -2.563 8.712 1.00 0.00 C ATOM 628 C SER A 43 8.007 -1.617 7.766 1.00 0.00 C ATOM 629 O SER A 43 8.694 -0.698 8.208 1.00 0.00 O ATOM 630 CB SER A 43 8.237 -3.618 9.249 1.00 0.00 C ATOM 631 OG SER A 43 9.496 -3.048 9.561 1.00 0.00 O ATOM 0 H SER A 43 6.132 -4.224 8.124 1.00 0.00 H new ATOM 0 HA SER A 43 6.884 -1.968 9.539 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.814 -4.082 10.140 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.366 -4.408 8.509 1.00 0.00 H new ATOM 0 HG SER A 43 10.094 -3.744 9.904 1.00 0.00 H new ATOM 637 N THR A 44 7.865 -1.846 6.468 1.00 0.00 N ATOM 638 CA THR A 44 8.528 -1.008 5.469 1.00 0.00 C ATOM 639 C THR A 44 7.624 0.138 5.030 1.00 0.00 C ATOM 640 O THR A 44 8.097 1.148 4.511 1.00 0.00 O ATOM 641 CB THR A 44 8.952 -1.836 4.251 1.00 0.00 C ATOM 642 OG1 THR A 44 8.049 -1.654 3.172 1.00 0.00 O ATOM 643 CG2 THR A 44 9.029 -3.319 4.529 1.00 0.00 C ATOM 0 H THR A 44 7.300 -2.601 6.079 1.00 0.00 H new ATOM 0 HA THR A 44 9.421 -0.589 5.933 1.00 0.00 H new ATOM 0 HB THR A 44 9.949 -1.474 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.342 -2.191 2.406 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.335 -3.843 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.757 -3.504 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.051 -3.681 4.845 1.00 0.00 H new ATOM 651 N ILE A 45 6.323 -0.025 5.234 1.00 0.00 N ATOM 652 CA ILE A 45 5.361 0.999 4.851 1.00 0.00 C ATOM 653 C ILE A 45 5.672 2.327 5.535 1.00 0.00 C ATOM 654 O ILE A 45 5.145 2.627 6.606 1.00 0.00 O ATOM 655 CB ILE A 45 3.919 0.573 5.188 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.597 -0.762 4.512 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.928 1.645 4.757 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.569 -0.684 3.002 1.00 0.00 C ATOM 0 H ILE A 45 5.911 -0.854 5.661 1.00 0.00 H new ATOM 0 HA ILE A 45 5.444 1.126 3.772 1.00 0.00 H new ATOM 0 HB ILE A 45 3.834 0.449 6.268 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.338 -1.502 4.816 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.629 -1.116 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.916 1.325 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.151 2.577 5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.007 1.802 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.335 -1.666 2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.808 0.031 2.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.544 -0.361 2.636 1.00 0.00 H new ATOM 670 N ASP A 46 6.535 3.116 4.904 1.00 0.00 N ATOM 671 CA ASP A 46 6.927 4.411 5.439 1.00 0.00 C ATOM 672 C ASP A 46 5.739 5.366 5.484 1.00 0.00 C ATOM 673 O ASP A 46 5.650 6.220 6.368 1.00 0.00 O ATOM 674 CB ASP A 46 8.050 5.016 4.595 1.00 0.00 C ATOM 675 CG ASP A 46 8.624 6.276 5.214 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.508 6.157 6.089 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.192 7.380 4.825 1.00 0.00 O ATOM 0 H ASP A 46 6.978 2.878 4.016 1.00 0.00 H new ATOM 0 HA ASP A 46 7.286 4.260 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.845 4.280 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.670 5.244 3.599 1.00 0.00 H new ATOM 682 N LYS A 47 4.827 5.223 4.524 1.00 0.00 N ATOM 683 CA LYS A 47 3.649 6.084 4.462 1.00 0.00 C ATOM 684 C LYS A 47 2.418 5.306 4.009 1.00 0.00 C ATOM 685 O LYS A 47 2.518 4.353 3.238 1.00 0.00 O ATOM 686 CB LYS A 47 3.887 7.261 3.509 1.00 0.00 C ATOM 687 CG LYS A 47 5.263 7.895 3.640 1.00 0.00 C ATOM 688 CD LYS A 47 5.305 8.897 4.781 1.00 0.00 C ATOM 689 CE LYS A 47 4.493 10.140 4.460 1.00 0.00 C ATOM 690 NZ LYS A 47 3.735 10.630 5.644 1.00 0.00 N ATOM 0 H LYS A 47 4.881 4.524 3.783 1.00 0.00 H new ATOM 0 HA LYS A 47 3.471 6.465 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.753 6.917 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.129 8.022 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.009 7.118 3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.526 8.393 2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.919 8.433 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.339 9.178 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.159 10.926 4.104 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.798 9.920 3.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.194 11.479 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.081 9.889 5.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.399 10.864 6.409 1.00 0.00 H new ATOM 704 N LEU A 48 1.254 5.736 4.484 1.00 0.00 N ATOM 705 CA LEU A 48 -0.005 5.104 4.125 1.00 0.00 C ATOM 706 C LEU A 48 -1.021 6.170 3.718 1.00 0.00 C ATOM 707 O LEU A 48 -1.260 7.125 4.457 1.00 0.00 O ATOM 708 CB LEU A 48 -0.509 4.234 5.290 1.00 0.00 C ATOM 709 CG LEU A 48 -1.881 4.598 5.853 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.983 3.890 5.081 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.958 4.255 7.335 1.00 0.00 C ATOM 0 H LEU A 48 1.159 6.525 5.123 1.00 0.00 H new ATOM 0 HA LEU A 48 0.142 4.446 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.539 3.197 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.220 4.288 6.099 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.023 5.673 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.952 4.163 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.942 4.187 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.846 2.811 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.943 4.521 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.792 3.186 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.194 4.812 7.878 1.00 0.00 H new ATOM 723 N GLN A 49 -1.596 6.018 2.530 1.00 0.00 N ATOM 724 CA GLN A 49 -2.565 6.984 2.029 1.00 0.00 C ATOM 725 C GLN A 49 -3.760 6.291 1.384 1.00 0.00 C ATOM 726 O GLN A 49 -3.678 5.131 0.980 1.00 0.00 O ATOM 727 CB GLN A 49 -1.900 7.921 1.017 1.00 0.00 C ATOM 728 CG GLN A 49 -2.800 9.055 0.555 1.00 0.00 C ATOM 729 CD GLN A 49 -2.116 9.972 -0.441 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.332 10.843 -0.064 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.411 9.780 -1.722 1.00 0.00 N ATOM 0 H GLN A 49 -1.409 5.239 1.899 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.927 7.564 2.878 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.999 8.342 1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.586 7.341 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.700 8.639 0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.119 9.637 1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.067 9.046 -1.990 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.982 10.367 -2.438 1.00 0.00 H new ATOM 740 N ALA A 50 -4.869 7.015 1.292 1.00 0.00 N ATOM 741 CA ALA A 50 -6.089 6.485 0.700 1.00 0.00 C ATOM 742 C ALA A 50 -6.885 7.588 0.012 1.00 0.00 C ATOM 743 O ALA A 50 -6.618 8.774 0.210 1.00 0.00 O ATOM 744 CB ALA A 50 -6.935 5.800 1.761 1.00 0.00 C ATOM 0 H ALA A 50 -4.947 7.977 1.622 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.811 5.749 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.844 5.408 1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.369 4.980 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.199 6.519 2.536 1.00 0.00 H new ATOM 750 N THR A 51 -7.862 7.193 -0.794 1.00 0.00 N ATOM 751 CA THR A 51 -8.696 8.153 -1.509 1.00 0.00 C ATOM 752 C THR A 51 -9.709 8.798 -0.568 1.00 0.00 C ATOM 753 O THR A 51 -10.169 8.171 0.387 1.00 0.00 O ATOM 754 CB THR A 51 -9.421 7.469 -2.668 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.269 6.439 -2.189 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.482 6.854 -3.683 1.00 0.00 C ATOM 0 H THR A 51 -8.097 6.216 -0.970 1.00 0.00 H new ATOM 0 HA THR A 51 -8.048 8.934 -1.908 1.00 0.00 H new ATOM 0 HB THR A 51 -9.992 8.258 -3.157 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.157 6.808 -2.001 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.062 6.386 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.846 7.631 -4.107 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.861 6.102 -3.196 1.00 0.00 H new ATOM 764 N PRO A 52 -10.074 10.066 -0.826 1.00 0.00 N ATOM 765 CA PRO A 52 -11.038 10.796 0.006 1.00 0.00 C ATOM 766 C PRO A 52 -12.438 10.194 -0.064 1.00 0.00 C ATOM 767 O PRO A 52 -12.830 9.625 -1.083 1.00 0.00 O ATOM 768 CB PRO A 52 -11.034 12.208 -0.590 1.00 0.00 C ATOM 769 CG PRO A 52 -10.546 12.034 -1.986 1.00 0.00 C ATOM 770 CD PRO A 52 -9.576 10.888 -1.943 1.00 0.00 C ATOM 0 HA PRO A 52 -10.766 10.765 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.032 12.647 -0.572 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.383 12.874 -0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.372 11.821 -2.665 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.062 12.942 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.569 10.332 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.556 11.230 -1.767 1.00 0.00 H new ATOM 778 N ALA A 53 -13.186 10.324 1.026 1.00 0.00 N ATOM 779 CA ALA A 53 -14.543 9.794 1.090 1.00 0.00 C ATOM 780 C ALA A 53 -15.453 10.488 0.084 1.00 0.00 C ATOM 781 O ALA A 53 -16.334 9.863 -0.506 1.00 0.00 O ATOM 782 CB ALA A 53 -15.099 9.941 2.498 1.00 0.00 C ATOM 0 H ALA A 53 -12.876 10.792 1.878 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.506 8.735 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.113 9.542 2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.469 9.392 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.115 10.995 2.775 1.00 0.00 H new ATOM 788 N SER A 54 -15.234 11.786 -0.108 1.00 0.00 N ATOM 789 CA SER A 54 -16.035 12.565 -1.045 1.00 0.00 C ATOM 790 C SER A 54 -15.918 12.007 -2.459 1.00 0.00 C ATOM 791 O SER A 54 -16.820 12.172 -3.279 1.00 0.00 O ATOM 792 CB SER A 54 -15.603 14.033 -1.023 1.00 0.00 C ATOM 793 OG SER A 54 -16.457 14.828 -1.827 1.00 0.00 O ATOM 0 H SER A 54 -14.509 12.319 0.373 1.00 0.00 H new ATOM 0 HA SER A 54 -17.078 12.497 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.615 14.403 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.577 14.119 -1.381 1.00 0.00 H new ATOM 0 HG SER A 54 -16.161 15.762 -1.795 1.00 0.00 H new ATOM 799 N SER A 55 -14.801 11.349 -2.734 1.00 0.00 N ATOM 800 CA SER A 55 -14.554 10.765 -4.039 1.00 0.00 C ATOM 801 C SER A 55 -15.143 9.366 -4.128 1.00 0.00 C ATOM 802 O SER A 55 -14.728 8.460 -3.406 1.00 0.00 O ATOM 803 CB SER A 55 -13.053 10.719 -4.326 1.00 0.00 C ATOM 804 OG SER A 55 -12.799 10.283 -5.650 1.00 0.00 O ATOM 0 H SER A 55 -14.047 11.207 -2.062 1.00 0.00 H new ATOM 0 HA SER A 55 -15.040 11.392 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.621 11.708 -4.177 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.565 10.048 -3.619 1.00 0.00 H new ATOM 0 HG SER A 55 -11.832 10.264 -5.808 1.00 0.00 H new ATOM 810 N GLU A 56 -16.104 9.194 -5.029 1.00 0.00 N ATOM 811 CA GLU A 56 -16.740 7.898 -5.224 1.00 0.00 C ATOM 812 C GLU A 56 -15.698 6.836 -5.565 1.00 0.00 C ATOM 813 O GLU A 56 -15.951 5.640 -5.436 1.00 0.00 O ATOM 814 CB GLU A 56 -17.783 7.982 -6.339 1.00 0.00 C ATOM 815 CG GLU A 56 -18.599 6.709 -6.505 1.00 0.00 C ATOM 816 CD GLU A 56 -19.563 6.782 -7.673 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.564 7.810 -8.384 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.320 5.810 -7.879 1.00 0.00 O ATOM 0 H GLU A 56 -16.459 9.935 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.236 7.616 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.458 8.812 -6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.280 8.207 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.924 5.865 -6.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.158 6.518 -5.589 1.00 0.00 H new ATOM 825 N LYS A 57 -14.524 7.289 -6.000 1.00 0.00 N ATOM 826 CA LYS A 57 -13.441 6.382 -6.357 1.00 0.00 C ATOM 827 C LYS A 57 -12.646 5.970 -5.123 1.00 0.00 C ATOM 828 O LYS A 57 -12.197 6.819 -4.352 1.00 0.00 O ATOM 829 CB LYS A 57 -12.510 7.041 -7.376 1.00 0.00 C ATOM 830 CG LYS A 57 -13.206 7.428 -8.671 1.00 0.00 C ATOM 831 CD LYS A 57 -12.371 7.053 -9.884 1.00 0.00 C ATOM 832 CE LYS A 57 -12.786 7.843 -11.116 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.926 9.297 -10.824 1.00 0.00 N ATOM 0 H LYS A 57 -14.301 8.278 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.882 5.489 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.068 7.932 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.691 6.358 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.175 6.932 -8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.397 8.501 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.318 7.236 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.476 5.986 -10.083 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.047 7.701 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.733 7.456 -11.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.623 9.848 -11.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.920 9.514 -10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.332 9.546 -10.007 1.00 0.00 H new ATOM 847 N MET A 58 -12.476 4.665 -4.939 1.00 0.00 N ATOM 848 CA MET A 58 -11.733 4.148 -3.797 1.00 0.00 C ATOM 849 C MET A 58 -10.326 3.726 -4.208 1.00 0.00 C ATOM 850 O MET A 58 -10.103 3.309 -5.344 1.00 0.00 O ATOM 851 CB MET A 58 -12.465 2.958 -3.177 1.00 0.00 C ATOM 852 CG MET A 58 -12.642 3.075 -1.674 1.00 0.00 C ATOM 853 SD MET A 58 -14.047 2.129 -1.065 1.00 0.00 S ATOM 854 CE MET A 58 -15.359 2.805 -2.076 1.00 0.00 C ATOM 0 H MET A 58 -12.842 3.948 -5.565 1.00 0.00 H new ATOM 0 HA MET A 58 -11.657 4.946 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.445 2.860 -3.644 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.913 2.045 -3.400 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.735 2.731 -1.177 1.00 0.00 H new ATOM 0 HG3 MET A 58 -12.773 4.124 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.285 2.830 -1.501 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.096 3.817 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 58 -15.497 2.181 -2.959 1.00 0.00 H new ATOM 864 N MET A 59 -9.379 3.830 -3.278 1.00 0.00 N ATOM 865 CA MET A 59 -7.998 3.449 -3.553 1.00 0.00 C ATOM 866 C MET A 59 -7.103 3.699 -2.342 1.00 0.00 C ATOM 867 O MET A 59 -7.221 4.723 -1.669 1.00 0.00 O ATOM 868 CB MET A 59 -7.459 4.218 -4.763 1.00 0.00 C ATOM 869 CG MET A 59 -6.615 3.365 -5.698 1.00 0.00 C ATOM 870 SD MET A 59 -7.371 3.153 -7.321 1.00 0.00 S ATOM 871 CE MET A 59 -7.690 4.856 -7.771 1.00 0.00 C ATOM 0 H MET A 59 -9.543 4.174 -2.332 1.00 0.00 H new ATOM 0 HA MET A 59 -7.988 2.382 -3.774 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.297 4.634 -5.322 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.861 5.059 -4.412 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.634 3.825 -5.816 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.456 2.386 -5.245 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.519 4.988 -8.839 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.724 5.107 -7.535 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.021 5.511 -7.213 1.00 0.00 H new ATOM 881 N LEU A 60 -6.200 2.758 -2.080 1.00 0.00 N ATOM 882 CA LEU A 60 -5.272 2.872 -0.961 1.00 0.00 C ATOM 883 C LEU A 60 -3.836 2.708 -1.451 1.00 0.00 C ATOM 884 O LEU A 60 -3.499 1.704 -2.080 1.00 0.00 O ATOM 885 CB LEU A 60 -5.590 1.821 0.105 1.00 0.00 C ATOM 886 CG LEU A 60 -4.905 2.039 1.456 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.728 2.976 2.328 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.686 0.709 2.162 1.00 0.00 C ATOM 0 H LEU A 60 -6.092 1.906 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.382 3.861 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.669 1.799 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.303 0.841 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.933 2.500 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.225 3.119 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.836 3.938 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.714 2.543 2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.198 0.882 3.121 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.647 0.222 2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.056 0.069 1.545 1.00 0.00 H new ATOM 900 N ARG A 61 -2.998 3.699 -1.170 1.00 0.00 N ATOM 901 CA ARG A 61 -1.603 3.660 -1.601 1.00 0.00 C ATOM 902 C ARG A 61 -0.652 3.474 -0.421 1.00 0.00 C ATOM 903 O ARG A 61 -0.653 4.264 0.523 1.00 0.00 O ATOM 904 CB ARG A 61 -1.247 4.943 -2.352 1.00 0.00 C ATOM 905 CG ARG A 61 -1.848 5.020 -3.747 1.00 0.00 C ATOM 906 CD ARG A 61 -1.249 3.970 -4.669 1.00 0.00 C ATOM 907 NE ARG A 61 -1.551 4.240 -6.073 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.914 5.150 -6.806 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.060 5.878 -6.274 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.250 5.332 -8.075 1.00 0.00 N ATOM 0 H ARG A 61 -3.257 4.536 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.489 2.803 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.588 5.800 -1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.162 5.020 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.927 4.881 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.677 6.012 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.168 3.939 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.634 2.987 -4.398 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.293 3.699 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.324 5.742 -5.298 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.545 6.574 -6.841 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.997 4.775 -8.490 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.762 6.029 -8.637 1.00 0.00 H new ATOM 924 N LEU A 62 0.166 2.427 -0.491 1.00 0.00 N ATOM 925 CA LEU A 62 1.136 2.133 0.560 1.00 0.00 C ATOM 926 C LEU A 62 2.555 2.408 0.066 1.00 0.00 C ATOM 927 O LEU A 62 2.957 1.916 -0.988 1.00 0.00 O ATOM 928 CB LEU A 62 1.022 0.669 0.997 1.00 0.00 C ATOM 929 CG LEU A 62 -0.237 0.297 1.796 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.367 1.292 1.557 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.688 -1.112 1.432 1.00 0.00 C ATOM 0 H LEU A 62 0.176 1.766 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 62 0.922 2.778 1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.061 0.041 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.896 0.422 1.600 1.00 0.00 H new ATOM 0 HG LEU A 62 0.015 0.332 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.241 0.997 2.138 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.046 2.287 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.623 1.304 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.581 -1.367 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.913 -1.158 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.107 -1.820 1.666 1.00 0.00 H new ATOM 943 N ILE A 63 3.310 3.191 0.831 1.00 0.00 N ATOM 944 CA ILE A 63 4.683 3.518 0.457 1.00 0.00 C ATOM 945 C ILE A 63 5.678 2.754 1.316 1.00 0.00 C ATOM 946 O ILE A 63 5.671 2.873 2.540 1.00 0.00 O ATOM 947 CB ILE A 63 4.989 5.024 0.602 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.708 5.857 0.612 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.915 5.483 -0.511 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.898 5.763 -0.651 1.00 0.00 C ATOM 0 H ILE A 63 2.998 3.609 1.708 1.00 0.00 H new ATOM 0 HA ILE A 63 4.783 3.233 -0.590 1.00 0.00 H new ATOM 0 HB ILE A 63 5.487 5.174 1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.089 5.540 1.451 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.969 6.901 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.122 6.547 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.849 4.924 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.439 5.308 -1.476 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.007 6.384 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.496 6.110 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.603 4.727 -0.818 1.00 0.00 H new ATOM 962 N GLY A 64 6.548 1.986 0.673 1.00 0.00 N ATOM 963 CA GLY A 64 7.547 1.235 1.406 1.00 0.00 C ATOM 964 C GLY A 64 8.597 2.140 2.016 1.00 0.00 C ATOM 965 O GLY A 64 8.266 3.120 2.685 1.00 0.00 O ATOM 0 H GLY A 64 6.580 1.870 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.062 0.658 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.027 0.520 0.737 1.00 0.00 H new ATOM 969 N LYS A 65 9.861 1.822 1.779 1.00 0.00 N ATOM 970 CA LYS A 65 10.965 2.619 2.302 1.00 0.00 C ATOM 971 C LYS A 65 11.957 2.953 1.191 1.00 0.00 C ATOM 972 O LYS A 65 12.049 2.235 0.196 1.00 0.00 O ATOM 973 CB LYS A 65 11.678 1.869 3.429 1.00 0.00 C ATOM 974 CG LYS A 65 10.774 1.546 4.606 1.00 0.00 C ATOM 975 CD LYS A 65 11.552 1.508 5.912 1.00 0.00 C ATOM 976 CE LYS A 65 10.757 2.122 7.055 1.00 0.00 C ATOM 977 NZ LYS A 65 10.519 1.146 8.153 1.00 0.00 N ATOM 0 H LYS A 65 10.150 1.015 1.226 1.00 0.00 H new ATOM 0 HA LYS A 65 10.557 3.548 2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.092 0.942 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.518 2.469 3.780 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.983 2.293 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.290 0.583 4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.804 0.476 6.156 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.492 2.046 5.792 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.294 2.986 7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.801 2.485 6.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.491 1.648 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.612 0.662 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.287 0.445 8.167 1.00 0.00 H new ATOM 991 N VAL A 66 12.696 4.042 1.365 1.00 0.00 N ATOM 992 CA VAL A 66 13.677 4.462 0.372 1.00 0.00 C ATOM 993 C VAL A 66 15.088 4.476 0.959 1.00 0.00 C ATOM 994 O VAL A 66 15.339 3.898 2.015 1.00 0.00 O ATOM 995 CB VAL A 66 13.329 5.855 -0.210 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.888 6.978 0.656 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.818 5.981 -1.648 1.00 0.00 C ATOM 0 H VAL A 66 12.635 4.649 2.182 1.00 0.00 H new ATOM 0 HA VAL A 66 13.647 3.733 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 66 12.243 5.950 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.625 7.941 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.466 6.908 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.973 6.889 0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.562 6.968 -2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.900 5.849 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.343 5.216 -2.262 1.00 0.00 H new ATOM 1007 N ASP A 67 15.996 5.144 0.264 1.00 0.00 N ATOM 1008 CA ASP A 67 17.384 5.249 0.695 1.00 0.00 C ATOM 1009 C ASP A 67 18.178 6.097 -0.291 1.00 0.00 C ATOM 1010 O ASP A 67 18.945 5.575 -1.100 1.00 0.00 O ATOM 1011 CB ASP A 67 18.013 3.859 0.818 1.00 0.00 C ATOM 1012 CG ASP A 67 19.397 3.904 1.436 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.490 3.896 2.682 1.00 0.00 O ATOM 1014 OD2 ASP A 67 20.386 3.948 0.677 1.00 0.00 O ATOM 0 H ASP A 67 15.794 5.627 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 67 17.407 5.729 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.368 3.223 1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.074 3.402 -0.170 1.00 0.00 H new ATOM 1019 N GLU A 68 17.979 7.409 -0.226 1.00 0.00 N ATOM 1020 CA GLU A 68 18.666 8.333 -1.121 1.00 0.00 C ATOM 1021 C GLU A 68 20.179 8.154 -1.053 1.00 0.00 C ATOM 1022 O GLU A 68 20.897 8.512 -1.986 1.00 0.00 O ATOM 1023 CB GLU A 68 18.294 9.779 -0.784 1.00 0.00 C ATOM 1024 CG GLU A 68 16.826 10.101 -1.017 1.00 0.00 C ATOM 1025 CD GLU A 68 15.965 9.824 0.201 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.521 9.416 1.242 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.735 10.017 0.112 1.00 0.00 O ATOM 0 H GLU A 68 17.347 7.857 0.438 1.00 0.00 H new ATOM 0 HA GLU A 68 18.344 8.109 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.539 9.974 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.905 10.452 -1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.728 11.150 -1.295 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.458 9.513 -1.858 1.00 0.00 H new ATOM 1034 N SER A 69 20.655 7.594 0.052 1.00 0.00 N ATOM 1035 CA SER A 69 22.082 7.360 0.233 1.00 0.00 C ATOM 1036 C SER A 69 22.640 6.474 -0.879 1.00 0.00 C ATOM 1037 O SER A 69 23.850 6.432 -1.102 1.00 0.00 O ATOM 1038 CB SER A 69 22.346 6.718 1.595 1.00 0.00 C ATOM 1039 OG SER A 69 21.828 7.517 2.646 1.00 0.00 O ATOM 0 H SER A 69 20.075 7.294 0.835 1.00 0.00 H new ATOM 0 HA SER A 69 22.589 8.324 0.189 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.890 5.728 1.628 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.418 6.580 1.734 1.00 0.00 H new ATOM 0 HG SER A 69 22.008 7.083 3.506 1.00 0.00 H new ATOM 1045 N LYS A 70 21.753 5.767 -1.574 1.00 0.00 N ATOM 1046 CA LYS A 70 22.163 4.882 -2.660 1.00 0.00 C ATOM 1047 C LYS A 70 22.583 5.684 -3.886 1.00 0.00 C ATOM 1048 O LYS A 70 23.730 5.607 -4.328 1.00 0.00 O ATOM 1049 CB LYS A 70 21.025 3.928 -3.025 1.00 0.00 C ATOM 1050 CG LYS A 70 20.622 3.001 -1.889 1.00 0.00 C ATOM 1051 CD LYS A 70 20.421 1.576 -2.377 1.00 0.00 C ATOM 1052 CE LYS A 70 19.156 1.446 -3.210 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.413 1.702 -4.654 1.00 0.00 N ATOM 0 H LYS A 70 20.747 5.790 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 70 23.019 4.301 -2.318 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.157 4.511 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.326 3.328 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.390 3.017 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.701 3.363 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.282 1.269 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.366 0.902 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.742 0.445 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.407 2.148 -2.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.735 1.161 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.302 2.717 -4.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.381 1.407 -4.892 1.00 0.00 H new ATOM 1067 N LYS A 71 21.649 6.455 -4.433 1.00 0.00 N ATOM 1068 CA LYS A 71 21.921 7.272 -5.610 1.00 0.00 C ATOM 1069 C LYS A 71 22.278 6.399 -6.809 1.00 0.00 C ATOM 1070 O LYS A 71 23.433 6.019 -6.993 1.00 0.00 O ATOM 1071 CB LYS A 71 23.056 8.258 -5.324 1.00 0.00 C ATOM 1072 CG LYS A 71 22.573 9.612 -4.833 1.00 0.00 C ATOM 1073 CD LYS A 71 22.115 10.492 -5.984 1.00 0.00 C ATOM 1074 CE LYS A 71 21.725 11.881 -5.505 1.00 0.00 C ATOM 1075 NZ LYS A 71 22.817 12.870 -5.721 1.00 0.00 N ATOM 0 H LYS A 71 20.695 6.531 -4.079 1.00 0.00 H new ATOM 0 HA LYS A 71 21.017 7.832 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 71 23.722 7.826 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 71 23.643 8.398 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 71 21.751 9.473 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.376 10.111 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.913 10.572 -6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 71 21.265 10.026 -6.483 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.829 12.209 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 71 21.475 11.842 -4.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 22.511 13.804 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 23.664 12.571 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.039 12.926 -6.736 1.00 0.00 H new ATOM 1089 N ARG A 72 21.275 6.087 -7.621 1.00 0.00 N ATOM 1090 CA ARG A 72 21.476 5.261 -8.806 1.00 0.00 C ATOM 1091 C ARG A 72 21.637 6.124 -10.052 1.00 0.00 C ATOM 1092 O ARG A 72 20.964 7.143 -10.204 1.00 0.00 O ATOM 1093 CB ARG A 72 20.301 4.300 -8.989 1.00 0.00 C ATOM 1094 CG ARG A 72 20.309 3.138 -8.010 1.00 0.00 C ATOM 1095 CD ARG A 72 19.987 1.824 -8.703 1.00 0.00 C ATOM 1096 NE ARG A 72 19.621 0.777 -7.752 1.00 0.00 N ATOM 1097 CZ ARG A 72 18.968 -0.333 -8.088 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.605 -0.544 -9.347 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.674 -1.234 -7.160 1.00 0.00 N ATOM 0 H ARG A 72 20.313 6.394 -7.480 1.00 0.00 H new ATOM 0 HA ARG A 72 22.391 4.685 -8.664 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.369 4.853 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.318 3.908 -10.006 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.287 3.069 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.581 3.322 -7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 72 19.168 1.977 -9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.850 1.500 -9.284 1.00 0.00 H new ATOM 0 HE ARG A 72 19.881 0.904 -6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.826 0.147 -10.064 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.105 -1.397 -9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.948 -1.076 -6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.174 -2.085 -7.416 1.00 0.00 H new ATOM 1113 N LYS A 73 22.533 5.711 -10.944 1.00 0.00 N ATOM 1114 CA LYS A 73 22.778 6.451 -12.177 1.00 0.00 C ATOM 1115 C LYS A 73 21.691 6.166 -13.208 1.00 0.00 C ATOM 1116 O LYS A 73 21.173 5.052 -13.289 1.00 0.00 O ATOM 1117 CB LYS A 73 24.148 6.093 -12.754 1.00 0.00 C ATOM 1118 CG LYS A 73 25.309 6.479 -11.854 1.00 0.00 C ATOM 1119 CD LYS A 73 25.747 7.915 -12.099 1.00 0.00 C ATOM 1120 CE LYS A 73 27.078 8.213 -11.428 1.00 0.00 C ATOM 1121 NZ LYS A 73 27.599 9.558 -11.801 1.00 0.00 N ATOM 0 H LYS A 73 23.100 4.870 -10.836 1.00 0.00 H new ATOM 0 HA LYS A 73 22.761 7.514 -11.939 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.185 5.020 -12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.267 6.588 -13.718 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.018 6.359 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 73 26.148 5.806 -12.031 1.00 0.00 H new ATOM 0 HD2 LYS A 73 25.831 8.093 -13.171 1.00 0.00 H new ATOM 0 HD3 LYS A 73 24.987 8.598 -11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 73 26.960 8.157 -10.346 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.805 7.451 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 28.499 9.452 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.909 10.040 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 27.753 10.122 -10.941 1.00 0.00 H new ATOM 1135 N ASP A 74 21.352 7.181 -13.994 1.00 0.00 N ATOM 1136 CA ASP A 74 20.328 7.041 -15.022 1.00 0.00 C ATOM 1137 C ASP A 74 20.954 6.769 -16.386 1.00 0.00 C ATOM 1138 O ASP A 74 22.177 6.764 -16.529 1.00 0.00 O ATOM 1139 CB ASP A 74 19.462 8.303 -15.086 1.00 0.00 C ATOM 1140 CG ASP A 74 20.270 9.548 -15.390 1.00 0.00 C ATOM 1141 OD1 ASP A 74 21.390 9.415 -15.928 1.00 0.00 O ATOM 1142 OD2 ASP A 74 19.783 10.659 -15.091 1.00 0.00 O ATOM 0 H ASP A 74 21.771 8.109 -13.939 1.00 0.00 H new ATOM 0 HA ASP A 74 19.700 6.190 -14.757 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.696 8.175 -15.851 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.945 8.433 -14.135 1.00 0.00 H new ATOM 1147 N ASN A 75 20.108 6.539 -17.384 1.00 0.00 N ATOM 1148 CA ASN A 75 20.575 6.262 -18.739 1.00 0.00 C ATOM 1149 C ASN A 75 21.388 7.429 -19.296 1.00 0.00 C ATOM 1150 O ASN A 75 22.151 7.265 -20.245 1.00 0.00 O ATOM 1151 CB ASN A 75 19.390 5.966 -19.658 1.00 0.00 C ATOM 1152 CG ASN A 75 18.644 4.711 -19.254 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.153 3.890 -18.491 1.00 0.00 O ATOM 1154 ND2 ASN A 75 17.427 4.554 -19.765 1.00 0.00 N ATOM 0 H ASN A 75 19.093 6.539 -17.281 1.00 0.00 H new ATOM 0 HA ASN A 75 21.223 5.387 -18.696 1.00 0.00 H new ATOM 0 HB2 ASN A 75 18.704 6.813 -19.646 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.746 5.859 -20.683 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.877 3.728 -19.528 1.00 0.00 H new ATOM 0 HD22 ASN A 75 17.043 5.259 -20.394 1.00 0.00 H new ATOM 1161 N GLU A 76 21.215 8.606 -18.702 1.00 0.00 N ATOM 1162 CA GLU A 76 21.933 9.796 -19.146 1.00 0.00 C ATOM 1163 C GLU A 76 23.297 9.914 -18.466 1.00 0.00 C ATOM 1164 O GLU A 76 23.986 10.924 -18.612 1.00 0.00 O ATOM 1165 CB GLU A 76 21.103 11.049 -18.865 1.00 0.00 C ATOM 1166 CG GLU A 76 19.853 11.154 -19.722 1.00 0.00 C ATOM 1167 CD GLU A 76 20.171 11.387 -21.188 1.00 0.00 C ATOM 1168 OE1 GLU A 76 21.311 11.797 -21.491 1.00 0.00 O ATOM 1169 OE2 GLU A 76 19.277 11.164 -22.031 1.00 0.00 O ATOM 0 H GLU A 76 20.586 8.761 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 76 22.097 9.703 -20.220 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.815 11.056 -17.814 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.723 11.930 -19.031 1.00 0.00 H new ATOM 0 HG2 GLU A 76 19.269 10.239 -19.621 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.232 11.971 -19.354 1.00 0.00 H new ATOM 1176 N GLY A 77 23.686 8.880 -17.722 1.00 0.00 N ATOM 1177 CA GLY A 77 24.965 8.903 -17.038 1.00 0.00 C ATOM 1178 C GLY A 77 24.968 9.822 -15.831 1.00 0.00 C ATOM 1179 O GLY A 77 26.028 10.147 -15.295 1.00 0.00 O ATOM 0 H GLY A 77 23.139 8.030 -17.582 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.220 7.892 -16.720 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.739 9.223 -17.735 1.00 0.00 H new ATOM 1183 N ASN A 78 23.781 10.242 -15.400 1.00 0.00 N ATOM 1184 CA ASN A 78 23.657 11.128 -14.249 1.00 0.00 C ATOM 1185 C ASN A 78 23.021 10.400 -13.070 1.00 0.00 C ATOM 1186 O ASN A 78 22.154 9.545 -13.250 1.00 0.00 O ATOM 1187 CB ASN A 78 22.828 12.360 -14.610 1.00 0.00 C ATOM 1188 CG ASN A 78 23.453 13.171 -15.728 1.00 0.00 C ATOM 1189 OD1 ASN A 78 24.513 13.772 -15.557 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.796 13.191 -16.883 1.00 0.00 N ATOM 0 H ASN A 78 22.894 9.983 -15.831 1.00 0.00 H new ATOM 0 HA ASN A 78 24.658 11.448 -13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.827 12.047 -14.908 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.715 12.990 -13.728 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.168 13.720 -17.672 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.920 12.678 -16.980 1.00 0.00 H new ATOM 1197 N GLU A 79 23.457 10.747 -11.865 1.00 0.00 N ATOM 1198 CA GLU A 79 22.932 10.125 -10.654 1.00 0.00 C ATOM 1199 C GLU A 79 21.510 10.596 -10.368 1.00 0.00 C ATOM 1200 O GLU A 79 21.171 11.758 -10.591 1.00 0.00 O ATOM 1201 CB GLU A 79 23.836 10.441 -9.461 1.00 0.00 C ATOM 1202 CG GLU A 79 25.237 9.867 -9.588 1.00 0.00 C ATOM 1203 CD GLU A 79 26.094 10.140 -8.366 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.683 10.966 -7.524 1.00 0.00 O ATOM 1205 OE2 GLU A 79 27.176 9.528 -8.253 1.00 0.00 O ATOM 0 H GLU A 79 24.172 11.455 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 79 22.911 9.047 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.905 11.523 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.374 10.052 -8.553 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.171 8.791 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.721 10.291 -10.468 1.00 0.00 H new ATOM 1212 N VAL A 80 20.685 9.683 -9.869 1.00 0.00 N ATOM 1213 CA VAL A 80 19.297 9.995 -9.546 1.00 0.00 C ATOM 1214 C VAL A 80 18.870 9.314 -8.259 1.00 0.00 C ATOM 1215 O VAL A 80 19.373 8.250 -7.903 1.00 0.00 O ATOM 1216 CB VAL A 80 18.331 9.577 -10.681 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.970 9.802 -12.043 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.889 8.123 -10.526 1.00 0.00 C ATOM 0 H VAL A 80 20.954 8.718 -9.679 1.00 0.00 H new ATOM 0 HA VAL A 80 19.244 11.077 -9.423 1.00 0.00 H new ATOM 0 HB VAL A 80 17.443 10.205 -10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.274 9.501 -12.826 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.214 10.858 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.881 9.208 -12.120 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.211 7.860 -11.338 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.763 7.472 -10.557 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.377 7.998 -9.572 1.00 0.00 H new ATOM 1228 N VAL A 81 17.923 9.935 -7.583 1.00 0.00 N ATOM 1229 CA VAL A 81 17.384 9.411 -6.346 1.00 0.00 C ATOM 1230 C VAL A 81 16.262 8.421 -6.654 1.00 0.00 C ATOM 1231 O VAL A 81 15.186 8.816 -7.102 1.00 0.00 O ATOM 1232 CB VAL A 81 16.853 10.556 -5.459 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.984 11.505 -6.273 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.094 10.013 -4.256 1.00 0.00 C ATOM 0 H VAL A 81 17.506 10.818 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 81 18.179 8.898 -5.805 1.00 0.00 H new ATOM 0 HB VAL A 81 17.708 11.117 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 81 15.619 12.306 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.573 11.932 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.137 10.958 -6.687 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.732 10.843 -3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.248 9.417 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.758 9.389 -3.658 1.00 0.00 H new ATOM 1244 N PRO A 82 16.498 7.115 -6.439 1.00 0.00 N ATOM 1245 CA PRO A 82 15.497 6.086 -6.724 1.00 0.00 C ATOM 1246 C PRO A 82 14.189 6.331 -5.980 1.00 0.00 C ATOM 1247 O PRO A 82 14.188 6.836 -4.857 1.00 0.00 O ATOM 1248 CB PRO A 82 16.154 4.792 -6.238 1.00 0.00 C ATOM 1249 CG PRO A 82 17.616 5.077 -6.249 1.00 0.00 C ATOM 1250 CD PRO A 82 17.751 6.536 -5.922 1.00 0.00 C ATOM 0 HA PRO A 82 15.227 6.067 -7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.811 4.526 -5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.910 3.955 -6.892 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.140 4.462 -5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.051 4.853 -7.223 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.858 6.700 -4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.626 6.977 -6.401 1.00 0.00 H new ATOM 1258 N LYS A 83 13.078 5.971 -6.612 1.00 0.00 N ATOM 1259 CA LYS A 83 11.763 6.154 -6.007 1.00 0.00 C ATOM 1260 C LYS A 83 11.434 5.003 -5.064 1.00 0.00 C ATOM 1261 O LYS A 83 11.869 3.869 -5.270 1.00 0.00 O ATOM 1262 CB LYS A 83 10.689 6.271 -7.089 1.00 0.00 C ATOM 1263 CG LYS A 83 10.626 7.643 -7.738 1.00 0.00 C ATOM 1264 CD LYS A 83 10.139 7.557 -9.176 1.00 0.00 C ATOM 1265 CE LYS A 83 11.297 7.399 -10.148 1.00 0.00 C ATOM 1266 NZ LYS A 83 10.854 7.514 -11.565 1.00 0.00 N ATOM 0 H LYS A 83 13.061 5.551 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 83 11.783 7.078 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.878 5.523 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.718 6.040 -6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.960 8.288 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.614 8.104 -7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.457 6.713 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.574 8.456 -9.424 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.051 8.159 -9.941 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.771 6.430 -9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.673 7.400 -12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.154 6.773 -11.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.425 8.449 -11.720 1.00 0.00 H new ATOM 1280 N PRO A 84 10.671 5.294 -4.000 1.00 0.00 N ATOM 1281 CA PRO A 84 10.285 4.305 -2.992 1.00 0.00 C ATOM 1282 C PRO A 84 9.212 3.343 -3.492 1.00 0.00 C ATOM 1283 O PRO A 84 8.484 3.649 -4.437 1.00 0.00 O ATOM 1284 CB PRO A 84 9.748 5.161 -1.839 1.00 0.00 C ATOM 1285 CG PRO A 84 10.149 6.553 -2.181 1.00 0.00 C ATOM 1286 CD PRO A 84 10.137 6.611 -3.668 1.00 0.00 C ATOM 0 HA PRO A 84 11.122 3.666 -2.712 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.665 5.072 -1.751 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.172 4.850 -0.884 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.456 7.278 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.138 6.786 -1.786 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.134 6.762 -4.067 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.759 7.418 -4.055 1.00 0.00 H new ATOM 1294 N GLN A 85 9.113 2.184 -2.851 1.00 0.00 N ATOM 1295 CA GLN A 85 8.124 1.183 -3.231 1.00 0.00 C ATOM 1296 C GLN A 85 6.712 1.700 -2.977 1.00 0.00 C ATOM 1297 O GLN A 85 6.439 2.299 -1.935 1.00 0.00 O ATOM 1298 CB GLN A 85 8.355 -0.116 -2.455 1.00 0.00 C ATOM 1299 CG GLN A 85 9.034 -1.201 -3.275 1.00 0.00 C ATOM 1300 CD GLN A 85 9.997 -2.036 -2.453 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.636 -2.564 -1.402 1.00 0.00 O ATOM 1302 NE2 GLN A 85 11.231 -2.158 -2.931 1.00 0.00 N ATOM 0 H GLN A 85 9.706 1.915 -2.066 1.00 0.00 H new ATOM 0 HA GLN A 85 8.234 0.981 -4.296 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.964 0.098 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.396 -0.490 -2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.275 -1.851 -3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.573 -0.742 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.486 -1.702 -3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.923 -2.707 -2.422 1.00 0.00 H new ATOM 1311 N ARG A 86 5.817 1.471 -3.932 1.00 0.00 N ATOM 1312 CA ARG A 86 4.436 1.921 -3.804 1.00 0.00 C ATOM 1313 C ARG A 86 3.458 0.824 -4.212 1.00 0.00 C ATOM 1314 O ARG A 86 3.669 0.127 -5.206 1.00 0.00 O ATOM 1315 CB ARG A 86 4.205 3.168 -4.658 1.00 0.00 C ATOM 1316 CG ARG A 86 4.991 4.382 -4.190 1.00 0.00 C ATOM 1317 CD ARG A 86 4.740 5.588 -5.080 1.00 0.00 C ATOM 1318 NE ARG A 86 5.174 5.354 -6.457 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.408 4.803 -7.397 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.166 4.425 -7.119 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.887 4.628 -8.621 1.00 0.00 N ATOM 0 H ARG A 86 6.022 0.978 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 86 4.259 2.164 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.476 2.946 -5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.142 3.410 -4.652 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.713 4.622 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.055 4.147 -4.186 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.677 5.830 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.267 6.452 -4.676 1.00 0.00 H new ATOM 0 HE ARG A 86 6.122 5.630 -6.713 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.791 4.556 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.586 4.004 -7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.841 4.915 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.302 4.206 -9.342 1.00 0.00 H new ATOM 1335 N HIS A 87 2.383 0.684 -3.443 1.00 0.00 N ATOM 1336 CA HIS A 87 1.363 -0.320 -3.725 1.00 0.00 C ATOM 1337 C HIS A 87 0.022 0.350 -4.004 1.00 0.00 C ATOM 1338 O HIS A 87 -0.212 1.484 -3.584 1.00 0.00 O ATOM 1339 CB HIS A 87 1.227 -1.290 -2.550 1.00 0.00 C ATOM 1340 CG HIS A 87 2.502 -1.994 -2.203 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.929 -3.139 -2.844 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.445 -1.713 -1.272 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.078 -3.531 -2.324 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.414 -2.682 -1.368 1.00 0.00 N ATOM 0 H HIS A 87 2.195 1.254 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 87 1.669 -0.880 -4.609 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.875 -0.742 -1.676 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.465 -2.032 -2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.437 -0.882 -0.583 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.646 -4.398 -2.628 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.256 -2.737 -0.795 1.00 0.00 H new ATOM 1353 N MET A 88 -0.855 -0.349 -4.715 1.00 0.00 N ATOM 1354 CA MET A 88 -2.167 0.195 -5.045 1.00 0.00 C ATOM 1355 C MET A 88 -3.272 -0.822 -4.783 1.00 0.00 C ATOM 1356 O MET A 88 -3.283 -1.908 -5.362 1.00 0.00 O ATOM 1357 CB MET A 88 -2.202 0.638 -6.509 1.00 0.00 C ATOM 1358 CG MET A 88 -3.513 1.292 -6.915 1.00 0.00 C ATOM 1359 SD MET A 88 -3.603 1.627 -8.685 1.00 0.00 S ATOM 1360 CE MET A 88 -5.285 1.129 -9.039 1.00 0.00 C ATOM 0 H MET A 88 -0.683 -1.289 -5.072 1.00 0.00 H new ATOM 0 HA MET A 88 -2.342 1.058 -4.403 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.386 1.338 -6.688 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.025 -0.228 -7.147 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.342 0.644 -6.629 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.634 2.226 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.277 0.268 -9.707 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.789 0.863 -8.110 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.816 1.953 -9.516 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.204 -0.457 -3.908 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.321 -1.330 -3.568 1.00 0.00 C ATOM 1372 C PHE A 89 -6.648 -0.604 -3.765 1.00 0.00 C ATOM 1373 O PHE A 89 -6.810 0.539 -3.336 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.198 -1.813 -2.123 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.995 -2.681 -1.882 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.786 -2.122 -1.501 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.075 -4.056 -2.036 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.678 -2.918 -1.280 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.971 -4.857 -1.816 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.771 -4.288 -1.438 1.00 0.00 C ATOM 0 H PHE A 89 -4.207 0.439 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.294 -2.194 -4.232 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.150 -0.948 -1.462 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.097 -2.369 -1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.708 -1.052 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.011 -4.507 -2.331 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.741 -2.470 -0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.047 -5.927 -1.940 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.907 -4.912 -1.266 1.00 0.00 H new ATOM 1390 N SER A 90 -7.592 -1.268 -4.422 1.00 0.00 N ATOM 1391 CA SER A 90 -8.901 -0.679 -4.679 1.00 0.00 C ATOM 1392 C SER A 90 -9.968 -1.297 -3.782 1.00 0.00 C ATOM 1393 O SER A 90 -10.043 -2.516 -3.638 1.00 0.00 O ATOM 1394 CB SER A 90 -9.285 -0.857 -6.152 1.00 0.00 C ATOM 1395 OG SER A 90 -8.334 -1.656 -6.835 1.00 0.00 O ATOM 0 H SER A 90 -7.476 -2.214 -4.786 1.00 0.00 H new ATOM 0 HA SER A 90 -8.840 0.386 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.270 -1.320 -6.221 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.357 0.119 -6.633 1.00 0.00 H new ATOM 0 HG SER A 90 -8.603 -1.756 -7.772 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.793 -0.448 -3.182 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.860 -0.908 -2.301 1.00 0.00 C ATOM 1403 C PHE A 91 -13.216 -0.408 -2.794 1.00 0.00 C ATOM 1404 O PHE A 91 -13.288 0.423 -3.698 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.616 -0.419 -0.870 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.330 -0.914 -0.268 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.108 -0.577 -0.830 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.343 -1.715 0.864 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.926 -1.029 -0.275 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.164 -2.170 1.423 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.954 -1.826 0.852 1.00 0.00 C ATOM 0 H PHE A 91 -10.744 0.565 -3.290 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.863 -1.998 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.612 0.671 -0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.447 -0.738 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.080 0.046 -1.712 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.286 -1.987 1.314 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.981 -0.759 -0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.188 -2.793 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.031 -2.180 1.287 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.288 -0.915 -2.197 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.635 -0.504 -2.584 1.00 0.00 C ATOM 1423 C ASN A 92 -16.397 0.083 -1.400 1.00 0.00 C ATOM 1424 O ASN A 92 -17.340 0.853 -1.577 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.415 -1.677 -3.169 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.594 -2.492 -4.150 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.606 -3.722 -4.113 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.876 -1.809 -5.033 1.00 0.00 N ATOM 0 H ASN A 92 -14.253 -1.607 -1.448 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.532 0.268 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.754 -2.323 -2.359 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.307 -1.301 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.304 -2.304 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.896 -0.789 -5.027 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.977 -0.278 -0.194 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.613 0.220 1.017 1.00 0.00 C ATOM 1437 C ASN A 93 -15.703 1.220 1.722 1.00 0.00 C ATOM 1438 O ASN A 93 -14.764 0.834 2.418 1.00 0.00 O ATOM 1439 CB ASN A 93 -16.949 -0.938 1.957 1.00 0.00 C ATOM 1440 CG ASN A 93 -17.953 -1.900 1.354 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.949 -1.487 0.761 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -17.693 -3.194 1.501 1.00 0.00 N ATOM 0 H ASN A 93 -15.197 -0.915 -0.029 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.538 0.724 0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.035 -1.479 2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.347 -0.541 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.331 -3.890 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.855 -3.492 2.000 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.982 2.506 1.531 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.183 3.562 2.145 1.00 0.00 C ATOM 1451 C ARG A 94 -14.957 3.288 3.627 1.00 0.00 C ATOM 1452 O ARG A 94 -13.937 3.675 4.197 1.00 0.00 O ATOM 1453 CB ARG A 94 -15.866 4.919 1.965 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.694 5.508 0.573 1.00 0.00 C ATOM 1455 CD ARG A 94 -16.916 5.255 -0.293 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.862 6.367 -0.243 1.00 0.00 N ATOM 1457 CZ ARG A 94 -17.735 7.482 -0.960 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -16.703 7.640 -1.781 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.643 8.443 -0.856 1.00 0.00 N ATOM 0 H ARG A 94 -16.755 2.842 0.956 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.213 3.581 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.930 4.812 2.176 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.465 5.618 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.517 6.581 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -14.814 5.073 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -16.602 5.092 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.412 4.342 0.037 1.00 0.00 H new ATOM 0 HE ARG A 94 -18.667 6.285 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -16.001 6.905 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -16.612 8.497 -2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.438 8.328 -0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.547 9.297 -1.405 1.00 0.00 H new ATOM 1473 N THR A 95 -15.919 2.615 4.240 1.00 0.00 N ATOM 1474 CA THR A 95 -15.853 2.276 5.641 1.00 0.00 C ATOM 1475 C THR A 95 -14.813 1.193 5.898 1.00 0.00 C ATOM 1476 O THR A 95 -13.989 1.314 6.805 1.00 0.00 O ATOM 1477 CB THR A 95 -17.226 1.811 6.090 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.221 2.190 5.154 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.631 2.363 7.430 1.00 0.00 C ATOM 0 H THR A 95 -16.766 2.291 3.773 1.00 0.00 H new ATOM 0 HA THR A 95 -15.552 3.156 6.210 1.00 0.00 H new ATOM 0 HB THR A 95 -17.150 0.726 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 95 -19.097 1.878 5.464 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.622 1.992 7.692 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.913 2.046 8.186 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.652 3.452 7.384 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.849 0.136 5.094 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.901 -0.959 5.242 1.00 0.00 C ATOM 1489 C VAL A 96 -12.480 -0.461 5.035 1.00 0.00 C ATOM 1490 O VAL A 96 -11.601 -0.703 5.863 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.193 -2.104 4.252 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.219 -3.255 4.456 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.629 -2.580 4.396 1.00 0.00 C ATOM 0 H VAL A 96 -15.522 0.015 4.337 1.00 0.00 H new ATOM 0 HA VAL A 96 -14.010 -1.347 6.255 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.059 -1.724 3.239 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.444 -4.052 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.200 -2.902 4.295 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.314 -3.637 5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.817 -3.388 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.793 -2.940 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.309 -1.753 4.190 1.00 0.00 H new ATOM 1503 N MET A 97 -12.260 0.257 3.939 1.00 0.00 N ATOM 1504 CA MET A 97 -10.944 0.801 3.656 1.00 0.00 C ATOM 1505 C MET A 97 -10.549 1.785 4.749 1.00 0.00 C ATOM 1506 O MET A 97 -9.368 1.945 5.056 1.00 0.00 O ATOM 1507 CB MET A 97 -10.914 1.488 2.290 1.00 0.00 C ATOM 1508 CG MET A 97 -9.508 1.686 1.747 1.00 0.00 C ATOM 1509 SD MET A 97 -9.487 2.436 0.109 1.00 0.00 S ATOM 1510 CE MET A 97 -9.920 4.128 0.506 1.00 0.00 C ATOM 0 H MET A 97 -12.971 0.473 3.240 1.00 0.00 H new ATOM 0 HA MET A 97 -10.228 -0.021 3.634 1.00 0.00 H new ATOM 0 HB2 MET A 97 -11.490 0.895 1.580 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.406 2.458 2.368 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.943 2.314 2.436 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.001 0.722 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.292 4.628 -0.388 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.693 4.135 1.274 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.038 4.652 0.874 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.549 2.432 5.347 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.302 3.384 6.419 1.00 0.00 C ATOM 1522 C ASP A 98 -10.612 2.689 7.581 1.00 0.00 C ATOM 1523 O ASP A 98 -9.762 3.270 8.255 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.610 4.028 6.884 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.797 5.430 6.331 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.986 5.846 5.479 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.757 6.110 6.752 1.00 0.00 O ATOM 0 H ASP A 98 -12.533 2.312 5.105 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.651 4.172 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.448 3.404 6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.626 4.066 7.973 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.970 1.429 7.791 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.369 0.637 8.855 1.00 0.00 C ATOM 1534 C ASN A 99 -8.930 0.291 8.494 1.00 0.00 C ATOM 1535 O ASN A 99 -8.059 0.213 9.360 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.174 -0.642 9.094 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.544 -0.361 9.680 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.547 -0.259 8.817 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -12.700 -0.237 10.895 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.672 0.935 7.240 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.376 1.224 9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.288 -1.178 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.621 -1.296 9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.901 -0.323 11.523 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.628 -0.048 11.273 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.691 0.098 7.199 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.360 -0.228 6.703 1.00 0.00 C ATOM 1548 C ILE A 100 -6.381 0.899 7.014 1.00 0.00 C ATOM 1549 O ILE A 100 -5.287 0.663 7.527 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.380 -0.482 5.182 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.375 -1.597 4.846 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.989 -0.833 4.672 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.902 -2.976 5.259 1.00 0.00 C ATOM 0 H ILE A 100 -9.405 0.162 6.474 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.036 -1.138 7.207 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.699 0.433 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.325 -1.385 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.564 -1.593 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.029 -1.008 3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.306 -0.009 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.634 -1.734 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.657 -3.715 4.990 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.968 -3.209 4.748 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.741 -2.998 6.337 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.789 2.129 6.712 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.952 3.292 6.973 1.00 0.00 C ATOM 1567 C LYS A 101 -5.795 3.506 8.473 1.00 0.00 C ATOM 1568 O LYS A 101 -4.795 4.052 8.938 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.554 4.552 6.345 1.00 0.00 C ATOM 1570 CG LYS A 101 -7.033 4.367 4.915 1.00 0.00 C ATOM 1571 CD LYS A 101 -8.126 5.366 4.571 1.00 0.00 C ATOM 1572 CE LYS A 101 -9.168 4.757 3.649 1.00 0.00 C ATOM 1573 NZ LYS A 101 -10.085 5.788 3.087 1.00 0.00 N ATOM 0 H LYS A 101 -7.691 2.344 6.288 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.975 3.106 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.392 4.884 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.809 5.347 6.367 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.195 4.489 4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.408 3.352 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.606 5.711 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.684 6.241 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.669 4.232 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.749 4.015 4.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.013 5.360 2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.196 6.563 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.687 6.162 2.202 1.00 0.00 H new ATOM 1587 N MET A 102 -6.801 3.068 9.220 1.00 0.00 N ATOM 1588 CA MET A 102 -6.800 3.203 10.670 1.00 0.00 C ATOM 1589 C MET A 102 -5.920 2.136 11.304 1.00 0.00 C ATOM 1590 O MET A 102 -5.200 2.400 12.266 1.00 0.00 O ATOM 1591 CB MET A 102 -8.225 3.096 11.215 1.00 0.00 C ATOM 1592 CG MET A 102 -9.076 4.324 10.935 1.00 0.00 C ATOM 1593 SD MET A 102 -10.821 4.059 11.301 1.00 0.00 S ATOM 1594 CE MET A 102 -10.736 3.579 13.025 1.00 0.00 C ATOM 0 H MET A 102 -7.632 2.614 8.842 1.00 0.00 H new ATOM 0 HA MET A 102 -6.398 4.184 10.923 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.708 2.222 10.778 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.182 2.931 12.292 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.707 5.160 11.529 1.00 0.00 H new ATOM 0 HG3 MET A 102 -8.967 4.605 9.888 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.738 3.588 13.455 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.316 2.576 13.103 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.102 4.281 13.567 1.00 0.00 H new ATOM 1604 N THR A 103 -5.983 0.932 10.752 1.00 0.00 N ATOM 1605 CA THR A 103 -5.194 -0.177 11.257 1.00 0.00 C ATOM 1606 C THR A 103 -3.737 -0.048 10.817 1.00 0.00 C ATOM 1607 O THR A 103 -2.820 -0.314 11.593 1.00 0.00 O ATOM 1608 CB THR A 103 -5.803 -1.499 10.784 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.365 -2.211 11.871 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.809 -2.403 10.111 1.00 0.00 C ATOM 0 H THR A 103 -6.574 0.701 9.953 1.00 0.00 H new ATOM 0 HA THR A 103 -5.208 -0.159 12.347 1.00 0.00 H new ATOM 0 HB THR A 103 -6.567 -1.221 10.058 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.171 -3.166 11.772 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.305 -3.322 9.800 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.394 -1.901 9.237 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.005 -2.642 10.807 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.529 0.366 9.570 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.183 0.532 9.044 1.00 0.00 C ATOM 1620 C LEU A 104 -1.442 1.621 9.808 1.00 0.00 C ATOM 1621 O LEU A 104 -0.243 1.512 10.057 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.228 0.871 7.554 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.341 -0.333 6.619 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.581 0.122 5.188 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.087 -1.191 6.705 1.00 0.00 C ATOM 0 H LEU A 104 -4.273 0.591 8.910 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.648 -0.409 9.171 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.075 1.533 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.327 1.428 7.297 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.193 -0.935 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.659 -0.749 4.537 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.507 0.695 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.750 0.746 4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.183 -2.044 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.220 -0.598 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.959 -1.547 7.727 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.169 2.667 10.186 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.583 3.776 10.928 1.00 0.00 C ATOM 1639 C GLN A 105 -1.070 3.313 12.286 1.00 0.00 C ATOM 1640 O GLN A 105 -0.119 3.874 12.828 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.609 4.897 11.111 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.571 5.947 10.013 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.253 7.239 10.418 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -4.471 7.281 10.595 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -2.470 8.301 10.567 1.00 0.00 N ATOM 0 H GLN A 105 -3.165 2.770 9.991 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.739 4.157 10.353 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.607 4.461 11.150 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.436 5.382 12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.534 6.155 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.053 5.551 9.119 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.465 8.220 10.410 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.873 9.198 10.839 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.710 2.286 12.828 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.321 1.742 14.124 1.00 0.00 C ATOM 1656 C GLN A 106 0.034 1.045 14.044 1.00 0.00 C ATOM 1657 O GLN A 106 0.791 1.028 15.014 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.382 0.761 14.628 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.690 1.429 15.024 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.700 0.445 15.584 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.907 -0.658 14.875 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 -5.286 0.675 16.642 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.501 1.812 12.391 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.238 2.573 14.825 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.581 0.023 13.851 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.986 0.220 15.487 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.489 2.201 15.767 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.117 1.927 14.154 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.095 1.536 17.154 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.962 0.004 17.007 1.00 0.00 H new ATOM 1671 N ILE A 107 0.331 0.467 12.885 1.00 0.00 N ATOM 1672 CA ILE A 107 1.592 -0.237 12.684 1.00 0.00 C ATOM 1673 C ILE A 107 2.749 0.736 12.484 1.00 0.00 C ATOM 1674 O ILE A 107 3.805 0.586 13.096 1.00 0.00 O ATOM 1675 CB ILE A 107 1.512 -1.198 11.479 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.364 -2.192 11.672 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.832 -1.935 11.294 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.522 -2.336 10.455 1.00 0.00 C ATOM 0 H ILE A 107 -0.284 0.472 12.071 1.00 0.00 H new ATOM 0 HA ILE A 107 1.776 -0.818 13.587 1.00 0.00 H new ATOM 0 HB ILE A 107 1.319 -0.613 10.580 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.778 -3.167 11.927 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.244 -1.872 12.518 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.756 -2.608 10.440 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.630 -1.214 11.118 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.056 -2.512 12.191 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.313 -3.056 10.664 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.965 -1.370 10.211 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.073 -2.686 9.611 1.00 0.00 H new ATOM 1690 N ILE A 108 2.544 1.744 11.639 1.00 0.00 N ATOM 1691 CA ILE A 108 3.584 2.739 11.389 1.00 0.00 C ATOM 1692 C ILE A 108 3.991 3.383 12.693 1.00 0.00 C ATOM 1693 O ILE A 108 5.138 3.289 13.132 1.00 0.00 O ATOM 1694 CB ILE A 108 3.121 3.861 10.437 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.230 3.315 9.323 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.322 4.585 9.850 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.223 4.323 8.820 1.00 0.00 C ATOM 0 H ILE A 108 1.678 1.893 11.121 1.00 0.00 H new ATOM 0 HA ILE A 108 4.415 2.210 10.922 1.00 0.00 H new ATOM 0 HB ILE A 108 2.531 4.570 11.017 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.856 2.990 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.702 2.434 9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.980 5.374 9.180 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.912 5.023 10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.937 3.878 9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.621 3.873 8.030 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.574 4.630 9.640 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.746 5.194 8.426 1.00 0.00 H new ATOM 1709 N SER A 109 3.020 4.025 13.309 1.00 0.00 N ATOM 1710 CA SER A 109 3.225 4.692 14.588 1.00 0.00 C ATOM 1711 C SER A 109 3.897 3.749 15.579 1.00 0.00 C ATOM 1712 O SER A 109 4.627 4.181 16.471 1.00 0.00 O ATOM 1713 CB SER A 109 1.892 5.188 15.154 1.00 0.00 C ATOM 1714 OG SER A 109 2.095 6.016 16.286 1.00 0.00 O ATOM 0 H SER A 109 2.071 4.102 12.944 1.00 0.00 H new ATOM 0 HA SER A 109 3.876 5.551 14.426 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.351 5.742 14.387 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.271 4.336 15.430 1.00 0.00 H new ATOM 0 HG SER A 109 1.229 6.321 16.628 1.00 0.00 H new ATOM 1720 N ARG A 110 3.649 2.456 15.405 1.00 0.00 N ATOM 1721 CA ARG A 110 4.232 1.441 16.271 1.00 0.00 C ATOM 1722 C ARG A 110 5.745 1.401 16.109 1.00 0.00 C ATOM 1723 O ARG A 110 6.480 1.161 17.066 1.00 0.00 O ATOM 1724 CB ARG A 110 3.634 0.068 15.955 1.00 0.00 C ATOM 1725 CG ARG A 110 2.874 -0.550 17.115 1.00 0.00 C ATOM 1726 CD ARG A 110 2.562 -2.016 16.856 1.00 0.00 C ATOM 1727 NE ARG A 110 2.519 -2.793 18.091 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.569 -2.664 19.016 1.00 0.00 C ATOM 1729 NH1 ARG A 110 0.584 -1.790 18.847 1.00 0.00 N ATOM 1730 NH2 ARG A 110 1.604 -3.410 20.111 1.00 0.00 N ATOM 0 H ARG A 110 3.046 2.086 14.670 1.00 0.00 H new ATOM 0 HA ARG A 110 4.001 1.699 17.305 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.963 0.162 15.102 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.436 -0.607 15.657 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.462 -0.457 18.028 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.946 -0.002 17.277 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.604 -2.097 16.343 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.317 -2.435 16.190 1.00 0.00 H new ATOM 0 HE ARG A 110 3.260 -3.475 18.255 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.552 -1.214 18.006 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.141 -1.695 19.558 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.358 -4.083 20.246 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.876 -3.311 20.819 1.00 0.00 H new ATOM 1744 N TYR A 111 6.196 1.641 14.887 1.00 0.00 N ATOM 1745 CA TYR A 111 7.622 1.637 14.584 1.00 0.00 C ATOM 1746 C TYR A 111 8.223 3.025 14.780 1.00 0.00 C ATOM 1747 O TYR A 111 9.390 3.159 15.146 1.00 0.00 O ATOM 1748 CB TYR A 111 7.860 1.155 13.152 1.00 0.00 C ATOM 1749 CG TYR A 111 7.638 -0.332 12.976 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.619 -1.247 13.336 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.446 -0.819 12.453 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.418 -2.606 13.182 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.239 -2.175 12.295 1.00 0.00 C ATOM 1754 CZ TYR A 111 7.226 -3.064 12.660 1.00 0.00 C ATOM 1755 OH TYR A 111 7.021 -4.417 12.506 1.00 0.00 O ATOM 0 H TYR A 111 5.596 1.841 14.087 1.00 0.00 H new ATOM 0 HA TYR A 111 8.114 0.951 15.273 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.196 1.697 12.479 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.881 1.400 12.858 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.554 -0.891 13.743 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.669 -0.126 12.166 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.190 -3.305 13.469 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.307 -2.537 11.887 1.00 0.00 H new ATOM 0 HH TYR A 111 6.159 -4.664 12.902 1.00 0.00 H new ATOM 1765 N LYS A 112 7.417 4.056 14.542 1.00 0.00 N ATOM 1766 CA LYS A 112 7.873 5.432 14.702 1.00 0.00 C ATOM 1767 C LYS A 112 8.191 5.725 16.163 1.00 0.00 C ATOM 1768 O LYS A 112 9.181 6.385 16.475 1.00 0.00 O ATOM 1769 CB LYS A 112 6.812 6.409 14.193 1.00 0.00 C ATOM 1770 CG LYS A 112 6.977 6.780 12.729 1.00 0.00 C ATOM 1771 CD LYS A 112 5.902 6.142 11.868 1.00 0.00 C ATOM 1772 CE LYS A 112 4.524 6.691 12.202 1.00 0.00 C ATOM 1773 NZ LYS A 112 4.167 7.854 11.343 1.00 0.00 N ATOM 0 H LYS A 112 6.448 3.964 14.238 1.00 0.00 H new ATOM 0 HA LYS A 112 8.782 5.560 14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.826 5.969 14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.848 7.317 14.795 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.936 7.864 12.621 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.960 6.462 12.381 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.122 6.323 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 112 5.910 5.062 12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.780 5.905 12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.497 6.991 13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.221 8.199 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.863 8.614 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.168 7.562 10.345 1.00 0.00 H new ATOM 1787 N ASP A 113 7.340 5.228 17.056 1.00 0.00 N ATOM 1788 CA ASP A 113 7.524 5.432 18.487 1.00 0.00 C ATOM 1789 C ASP A 113 8.856 4.853 18.953 1.00 0.00 C ATOM 1790 O ASP A 113 9.525 5.424 19.815 1.00 0.00 O ATOM 1791 CB ASP A 113 6.373 4.790 19.266 1.00 0.00 C ATOM 1792 CG ASP A 113 5.066 5.541 19.091 1.00 0.00 C ATOM 1793 OD1 ASP A 113 5.100 6.683 18.588 1.00 0.00 O ATOM 1794 OD2 ASP A 113 4.010 4.987 19.461 1.00 0.00 O ATOM 0 H ASP A 113 6.515 4.680 16.812 1.00 0.00 H new ATOM 0 HA ASP A 113 7.530 6.505 18.679 1.00 0.00 H new ATOM 0 HB2 ASP A 113 6.244 3.760 18.935 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.630 4.755 20.325 1.00 0.00 H new ATOM 1799 N ALA A 114 9.234 3.717 18.378 1.00 0.00 N ATOM 1800 CA ALA A 114 10.487 3.061 18.735 1.00 0.00 C ATOM 1801 C ALA A 114 11.685 3.931 18.371 1.00 0.00 C ATOM 1802 O ALA A 114 12.709 3.908 19.052 1.00 0.00 O ATOM 1803 CB ALA A 114 10.585 1.708 18.047 1.00 0.00 C ATOM 0 H ALA A 114 8.692 3.231 17.663 1.00 0.00 H new ATOM 0 HA ALA A 114 10.497 2.910 19.814 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.524 1.228 18.321 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.751 1.079 18.360 1.00 0.00 H new ATOM 0 HB3 ALA A 114 10.550 1.846 16.966 1.00 0.00 H new ATOM 1809 N ASP A 115 11.549 4.695 17.292 1.00 0.00 N ATOM 1810 CA ASP A 115 12.621 5.572 16.838 1.00 0.00 C ATOM 1811 C ASP A 115 12.286 7.033 17.121 1.00 0.00 C ATOM 1812 O ASP A 115 11.384 7.573 16.448 1.00 0.00 O ATOM 1813 CB ASP A 115 12.870 5.375 15.340 1.00 0.00 C ATOM 1814 CG ASP A 115 13.402 3.991 15.020 1.00 0.00 C ATOM 1815 OD1 ASP A 115 13.872 3.304 15.951 1.00 0.00 O ATOM 1816 OD2 ASP A 115 13.348 3.596 13.836 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.929 7.625 18.013 1.00 0.00 O ATOM 0 H ASP A 115 10.707 4.724 16.716 1.00 0.00 H new ATOM 0 HA ASP A 115 13.526 5.312 17.387 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.940 5.539 14.795 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.580 6.124 14.991 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -3.129 4.201 -18.270 1.00 0.00 N ATOM 1824 CA LEU B 45 -1.913 4.046 -19.113 1.00 0.00 C ATOM 1825 C LEU B 45 -0.650 4.026 -18.258 1.00 0.00 C ATOM 1826 O LEU B 45 0.131 3.076 -18.307 1.00 0.00 O ATOM 1827 CB LEU B 45 -1.858 5.206 -20.109 1.00 0.00 C ATOM 1828 CG LEU B 45 -3.148 5.446 -20.897 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -3.018 6.686 -21.767 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -3.485 4.229 -21.749 1.00 0.00 C ATOM 0 HA LEU B 45 -1.965 3.096 -19.645 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.606 6.118 -19.568 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -1.048 5.021 -20.815 1.00 0.00 H new ATOM 0 HG LEU B 45 -3.960 5.607 -20.188 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -3.944 6.841 -22.320 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -2.822 7.554 -21.137 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -2.194 6.553 -22.469 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.405 4.416 -22.303 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -2.672 4.039 -22.450 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.620 3.360 -21.105 1.00 0.00 H new ATOM 1842 N SER B 46 -0.455 5.083 -17.473 1.00 0.00 N ATOM 1843 CA SER B 46 0.713 5.186 -16.608 1.00 0.00 C ATOM 1844 C SER B 46 0.296 5.360 -15.149 1.00 0.00 C ATOM 1845 O SER B 46 -0.836 5.745 -14.861 1.00 0.00 O ATOM 1846 CB SER B 46 1.593 6.360 -17.041 1.00 0.00 C ATOM 1847 OG SER B 46 2.565 5.948 -17.988 1.00 0.00 O ATOM 0 H SER B 46 -1.091 5.878 -17.420 1.00 0.00 H new ATOM 0 HA SER B 46 1.283 4.261 -16.698 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.971 7.145 -17.472 1.00 0.00 H new ATOM 0 HB3 SER B 46 2.088 6.788 -16.169 1.00 0.00 H new ATOM 0 HG SER B 46 3.113 6.717 -18.250 1.00 0.00 H new ATOM 1853 N PRO B 47 1.211 5.076 -14.207 1.00 0.00 N ATOM 1854 CA PRO B 47 0.933 5.202 -12.772 1.00 0.00 C ATOM 1855 C PRO B 47 0.374 6.573 -12.408 1.00 0.00 C ATOM 1856 O PRO B 47 -0.542 6.685 -11.593 1.00 0.00 O ATOM 1857 CB PRO B 47 2.304 5.001 -12.125 1.00 0.00 C ATOM 1858 CG PRO B 47 3.070 4.183 -13.106 1.00 0.00 C ATOM 1859 CD PRO B 47 2.587 4.609 -14.464 1.00 0.00 C ATOM 0 HA PRO B 47 0.179 4.488 -12.441 1.00 0.00 H new ATOM 0 HB2 PRO B 47 2.796 5.955 -11.936 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.218 4.491 -11.166 1.00 0.00 H new ATOM 0 HG2 PRO B 47 4.142 4.351 -13.002 1.00 0.00 H new ATOM 0 HG3 PRO B 47 2.897 3.119 -12.946 1.00 0.00 H new ATOM 0 HD2 PRO B 47 3.209 5.401 -14.881 1.00 0.00 H new ATOM 0 HD3 PRO B 47 2.605 3.782 -15.174 1.00 0.00 H new ATOM 1867 N ASP B 48 0.930 7.613 -13.017 1.00 0.00 N ATOM 1868 CA ASP B 48 0.489 8.980 -12.758 1.00 0.00 C ATOM 1869 C ASP B 48 -1.002 9.135 -13.032 1.00 0.00 C ATOM 1870 O ASP B 48 -1.667 9.986 -12.441 1.00 0.00 O ATOM 1871 CB ASP B 48 1.282 9.966 -13.618 1.00 0.00 C ATOM 1872 CG ASP B 48 2.746 10.030 -13.224 1.00 0.00 C ATOM 1873 OD1 ASP B 48 3.091 9.529 -12.134 1.00 0.00 O ATOM 1874 OD2 ASP B 48 3.547 10.584 -14.008 1.00 0.00 O ATOM 0 H ASP B 48 1.688 7.537 -13.695 1.00 0.00 H new ATOM 0 HA ASP B 48 0.670 9.198 -11.705 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.203 9.675 -14.666 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.841 10.959 -13.528 1.00 0.00 H new ATOM 1879 N ASP B 49 -1.525 8.307 -13.932 1.00 0.00 N ATOM 1880 CA ASP B 49 -2.939 8.355 -14.283 1.00 0.00 C ATOM 1881 C ASP B 49 -3.809 7.989 -13.084 1.00 0.00 C ATOM 1882 O ASP B 49 -4.827 8.630 -12.824 1.00 0.00 O ATOM 1883 CB ASP B 49 -3.231 7.408 -15.447 1.00 0.00 C ATOM 1884 CG ASP B 49 -2.483 7.794 -16.708 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -2.021 8.951 -16.795 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -2.361 6.939 -17.611 1.00 0.00 O ATOM 0 H ASP B 49 -0.990 7.596 -14.431 1.00 0.00 H new ATOM 0 HA ASP B 49 -3.178 9.375 -14.586 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -2.958 6.392 -15.162 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -4.302 7.405 -15.650 1.00 0.00 H new ATOM 1891 N ILE B 50 -3.399 6.954 -12.360 1.00 0.00 N ATOM 1892 CA ILE B 50 -4.138 6.500 -11.188 1.00 0.00 C ATOM 1893 C ILE B 50 -4.031 7.504 -10.046 1.00 0.00 C ATOM 1894 O ILE B 50 -4.915 7.593 -9.195 1.00 0.00 O ATOM 1895 CB ILE B 50 -3.635 5.127 -10.704 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -3.595 4.135 -11.868 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -4.518 4.600 -9.580 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.933 3.948 -12.547 1.00 0.00 C ATOM 0 H ILE B 50 -2.559 6.413 -12.564 1.00 0.00 H new ATOM 0 HA ILE B 50 -5.182 6.409 -11.488 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.623 5.245 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.868 4.479 -12.604 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -3.245 3.170 -11.501 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -4.147 3.629 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -4.498 5.299 -8.744 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -5.541 4.495 -9.940 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.830 3.232 -13.362 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -5.659 3.574 -11.825 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -5.276 4.903 -12.944 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.939 8.257 -10.036 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.710 9.259 -9.000 1.00 0.00 C ATOM 1912 C GLU B 51 -3.755 10.365 -9.074 1.00 0.00 C ATOM 1913 O GLU B 51 -4.148 10.932 -8.054 1.00 0.00 O ATOM 1914 CB GLU B 51 -1.308 9.855 -9.140 1.00 0.00 C ATOM 1915 CG GLU B 51 -0.192 8.849 -8.907 1.00 0.00 C ATOM 1916 CD GLU B 51 1.187 9.476 -8.991 1.00 0.00 C ATOM 1917 OE1 GLU B 51 1.288 10.627 -9.466 1.00 0.00 O ATOM 1918 OE2 GLU B 51 2.165 8.814 -8.585 1.00 0.00 O ATOM 0 H GLU B 51 -2.197 8.194 -10.733 1.00 0.00 H new ATOM 0 HA GLU B 51 -2.794 8.769 -8.030 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -1.201 10.279 -10.138 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -1.199 10.676 -8.432 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -0.320 8.391 -7.926 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -0.269 8.050 -9.644 1.00 0.00 H new ATOM 1925 N GLN B 52 -4.202 10.669 -10.288 1.00 0.00 N ATOM 1926 CA GLN B 52 -5.202 11.708 -10.497 1.00 0.00 C ATOM 1927 C GLN B 52 -6.530 11.328 -9.851 1.00 0.00 C ATOM 1928 O GLN B 52 -7.303 12.195 -9.442 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.399 11.963 -11.994 1.00 0.00 C ATOM 1930 CG GLN B 52 -5.035 13.373 -12.423 1.00 0.00 C ATOM 1931 CD GLN B 52 -5.411 13.661 -13.863 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -6.212 14.552 -14.141 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -4.832 12.903 -14.789 1.00 0.00 N ATOM 0 H GLN B 52 -3.887 10.210 -11.142 1.00 0.00 H new ATOM 0 HA GLN B 52 -4.842 12.622 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -4.794 11.253 -12.558 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -6.440 11.771 -12.253 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -5.537 14.088 -11.771 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -3.963 13.522 -12.295 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -4.173 12.175 -14.513 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -5.047 13.050 -15.775 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.792 10.027 -9.759 1.00 0.00 N ATOM 1943 CA TRP B 53 -8.028 9.536 -9.161 1.00 0.00 C ATOM 1944 C TRP B 53 -8.207 10.088 -7.749 1.00 0.00 C ATOM 1945 O TRP B 53 -9.330 10.293 -7.288 1.00 0.00 O ATOM 1946 CB TRP B 53 -8.033 8.007 -9.129 1.00 0.00 C ATOM 1947 CG TRP B 53 -8.200 7.383 -10.480 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -7.644 7.804 -11.654 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.978 6.223 -10.799 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -8.028 6.978 -12.682 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.847 6.000 -12.182 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.772 5.351 -10.048 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -9.480 4.941 -12.830 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.400 4.301 -10.692 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -10.251 4.102 -12.070 1.00 0.00 C ATOM 0 H TRP B 53 -6.164 9.295 -10.091 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.860 9.881 -9.774 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -7.099 7.657 -8.689 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -8.839 7.667 -8.478 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -6.996 8.662 -11.759 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -7.749 7.077 -13.658 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.893 5.495 -8.984 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -9.367 4.787 -13.893 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -11.017 3.622 -10.122 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.754 3.271 -12.543 1.00 0.00 H new ATOM 1966 N PHE B 54 -7.091 10.322 -7.066 1.00 0.00 N ATOM 1967 CA PHE B 54 -7.121 10.847 -5.707 1.00 0.00 C ATOM 1968 C PHE B 54 -7.416 12.345 -5.705 1.00 0.00 C ATOM 1969 O PHE B 54 -8.082 12.855 -4.804 1.00 0.00 O ATOM 1970 CB PHE B 54 -5.789 10.577 -5.005 1.00 0.00 C ATOM 1971 CG PHE B 54 -5.443 9.118 -4.914 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -4.871 8.462 -5.992 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -5.689 8.404 -3.754 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -4.550 7.120 -5.913 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -5.372 7.063 -3.668 1.00 0.00 C ATOM 1976 CZ PHE B 54 -4.800 6.419 -4.750 1.00 0.00 C ATOM 0 H PHE B 54 -6.154 10.156 -7.433 1.00 0.00 H new ATOM 0 HA PHE B 54 -7.920 10.339 -5.167 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -4.994 11.098 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -5.826 10.997 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -4.674 9.005 -6.904 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -6.134 8.902 -2.906 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -4.104 6.620 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -5.570 6.518 -2.757 1.00 0.00 H new ATOM 0 HZ PHE B 54 -4.549 5.370 -4.685 1.00 0.00 H new ATOM 1986 N THR B 55 -6.911 13.045 -6.716 1.00 0.00 N ATOM 1987 CA THR B 55 -7.120 14.483 -6.828 1.00 0.00 C ATOM 1988 C THR B 55 -8.480 14.788 -7.454 1.00 0.00 C ATOM 1989 O THR B 55 -9.265 15.562 -6.906 1.00 0.00 O ATOM 1990 CB THR B 55 -5.985 15.108 -7.642 1.00 0.00 C ATOM 1991 OG1 THR B 55 -5.041 15.728 -6.787 1.00 0.00 O ATOM 1992 CG2 THR B 55 -6.440 16.147 -8.643 1.00 0.00 C ATOM 0 H THR B 55 -6.355 12.639 -7.469 1.00 0.00 H new ATOM 0 HA THR B 55 -7.114 14.920 -5.830 1.00 0.00 H new ATOM 0 HB THR B 55 -5.548 14.275 -8.193 1.00 0.00 H new ATOM 0 HG1 THR B 55 -4.322 16.121 -7.324 1.00 0.00 H new ATOM 0 HG21 THR B 55 -5.575 16.540 -9.178 1.00 0.00 H new ATOM 0 HG22 THR B 55 -7.129 15.691 -9.353 1.00 0.00 H new ATOM 0 HG23 THR B 55 -6.944 16.960 -8.120 1.00 0.00 H new ATOM 2000 N GLU B 56 -8.750 14.176 -8.602 1.00 0.00 N ATOM 2001 CA GLU B 56 -10.013 14.383 -9.300 1.00 0.00 C ATOM 2002 C GLU B 56 -11.122 13.541 -8.680 1.00 0.00 C ATOM 2003 O GLU B 56 -10.893 12.409 -8.255 1.00 0.00 O ATOM 2004 CB GLU B 56 -9.861 14.037 -10.783 1.00 0.00 C ATOM 2005 CG GLU B 56 -8.849 14.908 -11.510 1.00 0.00 C ATOM 2006 CD GLU B 56 -9.227 16.377 -11.496 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -10.411 16.684 -11.242 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -8.338 17.221 -11.740 1.00 0.00 O ATOM 0 H GLU B 56 -8.111 13.533 -9.069 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.285 15.434 -9.205 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -9.562 12.993 -10.875 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.830 14.135 -11.272 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -7.870 14.784 -11.047 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -8.759 14.570 -12.542 1.00 0.00 H new ATOM 2015 N ASP B 57 -12.326 14.101 -8.633 1.00 0.00 N ATOM 2016 CA ASP B 57 -13.474 13.402 -8.066 1.00 0.00 C ATOM 2017 C ASP B 57 -14.669 13.460 -9.014 1.00 0.00 C ATOM 2018 O ASP B 57 -14.722 14.305 -9.908 1.00 0.00 O ATOM 2019 CB ASP B 57 -13.850 14.011 -6.714 1.00 0.00 C ATOM 2020 CG ASP B 57 -14.254 15.467 -6.828 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -15.373 15.737 -7.315 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -13.453 16.339 -6.433 1.00 0.00 O ATOM 0 H ASP B 57 -12.532 15.037 -8.981 1.00 0.00 H new ATOM 0 HA ASP B 57 -13.198 12.357 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -14.671 13.442 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -13.004 13.924 -6.032 1.00 0.00 H new ATOM 2027 N PRO B 58 -15.649 12.557 -8.832 1.00 0.00 N ATOM 2028 CA PRO B 58 -16.847 12.510 -9.677 1.00 0.00 C ATOM 2029 C PRO B 58 -17.542 13.863 -9.771 1.00 0.00 C ATOM 2030 O PRO B 58 -17.630 14.556 -8.734 1.00 0.00 O ATOM 2031 CB PRO B 58 -17.745 11.495 -8.967 1.00 0.00 C ATOM 2032 CG PRO B 58 -16.806 10.626 -8.205 1.00 0.00 C ATOM 2033 CD PRO B 58 -15.665 11.513 -7.790 1.00 0.00 C ATOM 0 HA PRO B 58 -16.609 12.240 -10.706 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -18.454 11.990 -8.303 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -18.329 10.915 -9.682 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -17.297 10.189 -7.335 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -16.453 9.799 -8.821 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -15.825 11.937 -6.799 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -14.723 10.966 -7.754 1.00 0.00 H new TER 2041 PRO B 58