USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 LYS NZ :NH3+ 168:sc= -0.412 (180deg=-0.104) USER MOD Set 1.2: B 97 LYS NZ :NH3+ 170:sc= 0.724 (180deg=0.587) USER MOD Set 2.1: A 7 THR OG1 : rot 92:sc= 0.246 USER MOD Set 2.2: B 45 GLN : amide:sc= -11.7! C(o=-11!,f=-13!) USER MOD Set 3.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: B 15 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 45 GLN : amide:sc= -12.2! C(o=-12!,f=-14!) USER MOD Set 4.2: B 7 THR OG1 : rot 94:sc= 0.243 USER MOD Set 5.1: A 97 LYS NZ :NH3+ 171:sc= 0.0362 (180deg=-0.272) USER MOD Set 5.2: B 30 LYS NZ :NH3+ 162:sc= -0.797 (180deg=-0.191) USER MOD Single : A 1 MET CE :methyl -143:sc= -1.59 (180deg=-2.41!) USER MOD Single : A 1 MET N :NH3+ -179:sc= -2.57! (180deg=-2.58!) USER MOD Single : A 5 THR OG1 : rot -37:sc= -1.75! USER MOD Single : A 18 SER OG : rot 96:sc= 0.495 USER MOD Single : A 19 THR OG1 : rot 160:sc= -0.0938 USER MOD Single : A 22 THR OG1 : rot -97:sc= 1.13 USER MOD Single : A 32 SER OG : rot 178:sc= 0.771 USER MOD Single : A 34 ASN : amide:sc= -3.5! C(o=-3.5!,f=-12!) USER MOD Single : A 36 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0817 (180deg=-0.464) USER MOD Single : A 43 THR OG1 : rot -101:sc= -2.53! USER MOD Single : A 44 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.32) USER MOD Single : A 48 HIS : no HE2:sc= -9.43! C(o=-9.4!,f=-13!) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc= -1.75! (180deg=-1.93!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.156) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 74:sc= -1.11 USER MOD Single : A 66 ASN : amide:sc= -5.03! C(o=-5!,f=-6.2!) USER MOD Single : A 67 GLN : amide:sc= -9.94! C(o=-9.9!,f=-9.4!) USER MOD Single : A 69 SER OG : rot 112:sc= 0.156 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 69:sc= 0.307 USER MOD Single : A 85 LYS NZ :NH3+ 164:sc= -2.69 (180deg=-3.54) USER MOD Single : A 89 LYS NZ :NH3+ 141:sc= 0.996! (180deg=-1.64!) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0149 (180deg=-0.141) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -139:sc= -1.28 (180deg=-2.15!) USER MOD Single : B 1 MET N :NH3+ -178:sc= -2.52! (180deg=-2.56!) USER MOD Single : B 5 THR OG1 : rot 73:sc= -0.709 USER MOD Single : B 18 SER OG : rot 98:sc= 0.471 USER MOD Single : B 19 THR OG1 : rot 160:sc= -0.294 USER MOD Single : B 22 THR OG1 : rot -97:sc= 0.594 USER MOD Single : B 32 SER OG : rot 177:sc= 0.554 USER MOD Single : B 34 ASN : amide:sc= -3.66! C(o=-3.7!,f=-12!) USER MOD Single : B 36 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.0045) USER MOD Single : B 39 LYS NZ :NH3+ -138:sc= -0.0788 (180deg=-0.387) USER MOD Single : B 43 THR OG1 : rot -84:sc= -2.12! USER MOD Single : B 44 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.37) USER MOD Single : B 48 HIS : no HE2:sc= -9.96! C(o=-10!,f=-14!) USER MOD Single : B 51 LYS NZ :NH3+ -171:sc= -1.74! (180deg=-1.98!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.183) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 61:sc= -0.846 USER MOD Single : B 66 ASN : amide:sc= -4.93! C(o=-4.9!,f=-5.8!) USER MOD Single : B 67 GLN : amide:sc= -9.24! C(o=-9.2!,f=-8.1!) USER MOD Single : B 69 SER OG : rot 118:sc= -0.273 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 76 TYR OH : rot 70:sc= 0.227 USER MOD Single : B 85 LYS NZ :NH3+ 174:sc= -2.61 (180deg=-3.22) USER MOD Single : B 89 LYS NZ :NH3+ 138:sc= 1.17 (180deg=-1.78!) USER MOD Single : B 91 LYS NZ :NH3+ 169:sc= -0.01 (180deg=-0.18) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.675 4.782 -2.299 1.00 0.64 N ATOM 2 CA MET A 1 -17.878 6.022 -2.474 1.00 0.59 C ATOM 3 C MET A 1 -16.563 5.725 -3.176 1.00 0.60 C ATOM 4 O MET A 1 -16.250 4.572 -3.461 1.00 0.61 O ATOM 5 CB MET A 1 -17.576 6.678 -1.127 1.00 0.57 C ATOM 6 CG MET A 1 -18.743 7.459 -0.518 1.00 0.61 C ATOM 7 SD MET A 1 -19.403 8.743 -1.592 1.00 0.96 S ATOM 8 CE MET A 1 -20.745 7.868 -2.392 1.00 1.17 C ATOM 0 H1 MET A 1 -19.576 5.011 -1.833 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.865 4.357 -3.229 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.144 4.108 -1.712 1.00 0.64 H new ATOM 0 HA MET A 1 -18.473 6.703 -3.082 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.268 5.905 -0.423 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.729 7.354 -1.249 1.00 0.57 H new ATOM 0 HG2 MET A 1 -19.543 6.762 -0.268 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.414 7.914 0.416 1.00 0.61 H new ATOM 0 HE1 MET A 1 -20.819 8.187 -3.432 1.00 1.17 H new ATOM 0 HE2 MET A 1 -20.554 6.796 -2.354 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.681 8.088 -1.878 1.00 1.17 H new ATOM 20 N ALA A 2 -15.815 6.779 -3.484 1.00 0.62 N ATOM 21 CA ALA A 2 -14.523 6.624 -4.134 1.00 0.65 C ATOM 22 C ALA A 2 -13.381 7.048 -3.227 1.00 0.62 C ATOM 23 O ALA A 2 -13.547 7.898 -2.353 1.00 0.72 O ATOM 24 CB ALA A 2 -14.466 7.416 -5.430 1.00 0.73 C ATOM 0 H ALA A 2 -16.081 7.745 -3.294 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.407 5.564 -4.358 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.489 7.282 -5.895 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -15.242 7.061 -6.108 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.625 8.473 -5.218 1.00 0.73 H new ATOM 30 N ALA A 3 -12.219 6.451 -3.440 1.00 0.73 N ATOM 31 CA ALA A 3 -11.042 6.806 -2.676 1.00 0.76 C ATOM 32 C ALA A 3 -10.457 8.082 -3.255 1.00 0.66 C ATOM 33 O ALA A 3 -9.569 8.045 -4.107 1.00 0.81 O ATOM 34 CB ALA A 3 -10.029 5.678 -2.708 1.00 1.06 C ATOM 0 H ALA A 3 -12.070 5.720 -4.135 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.311 6.973 -1.633 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.150 5.962 -2.129 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.472 4.779 -2.279 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.736 5.481 -3.739 1.00 1.06 H new ATOM 40 N GLU A 4 -10.970 9.209 -2.787 1.00 0.63 N ATOM 41 CA GLU A 4 -10.542 10.509 -3.293 1.00 0.75 C ATOM 42 C GLU A 4 -9.116 10.823 -2.860 1.00 0.74 C ATOM 43 O GLU A 4 -8.181 10.668 -3.646 1.00 0.85 O ATOM 44 CB GLU A 4 -11.513 11.626 -2.862 1.00 0.97 C ATOM 45 CG GLU A 4 -12.908 11.139 -2.490 1.00 1.44 C ATOM 46 CD GLU A 4 -13.549 10.281 -3.571 1.00 2.42 C ATOM 47 OE1 GLU A 4 -12.815 9.711 -4.404 1.00 3.20 O ATOM 48 OE2 GLU A 4 -14.792 10.191 -3.587 1.00 3.03 O ATOM 0 H GLU A 4 -11.683 9.253 -2.058 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.558 10.461 -4.382 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.086 12.153 -2.009 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.598 12.349 -3.673 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.851 10.565 -1.565 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.546 12.000 -2.292 1.00 1.44 H new ATOM 55 N THR A 5 -8.938 11.266 -1.621 1.00 0.69 N ATOM 56 CA THR A 5 -7.610 11.575 -1.130 1.00 0.74 C ATOM 57 C THR A 5 -7.114 10.520 -0.114 1.00 0.61 C ATOM 58 O THR A 5 -7.176 9.325 -0.402 1.00 0.78 O ATOM 59 CB THR A 5 -7.572 12.986 -0.535 1.00 0.93 C ATOM 60 OG1 THR A 5 -8.412 13.857 -1.302 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.148 13.497 -0.545 1.00 1.09 C ATOM 0 H THR A 5 -9.690 11.416 -0.948 1.00 0.69 H new ATOM 0 HA THR A 5 -6.925 11.544 -1.978 1.00 0.74 H new ATOM 0 HB THR A 5 -7.936 12.959 0.492 1.00 0.93 H new ATOM 0 HG1 THR A 5 -8.346 13.623 -2.251 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.119 14.501 -0.122 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.519 12.834 0.050 1.00 1.09 H new ATOM 0 HG23 THR A 5 -5.778 13.524 -1.570 1.00 1.09 H new ATOM 69 N LEU A 6 -6.625 10.938 1.069 1.00 0.54 N ATOM 70 CA LEU A 6 -6.127 9.990 2.060 1.00 0.50 C ATOM 71 C LEU A 6 -7.276 9.185 2.634 1.00 0.49 C ATOM 72 O LEU A 6 -7.990 9.651 3.521 1.00 0.56 O ATOM 73 CB LEU A 6 -5.408 10.717 3.205 1.00 0.61 C ATOM 74 CG LEU A 6 -3.883 10.552 3.274 1.00 0.75 C ATOM 75 CD1 LEU A 6 -3.188 11.316 2.161 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.365 11.010 4.628 1.00 1.07 C ATOM 0 H LEU A 6 -6.568 11.916 1.351 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.420 9.327 1.561 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.632 11.781 3.127 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -5.831 10.370 4.148 1.00 0.61 H new ATOM 0 HG LEU A 6 -3.657 9.494 3.143 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -2.110 11.176 2.242 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -3.531 10.944 1.195 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -3.423 12.377 2.246 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.282 10.888 4.664 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.617 12.060 4.778 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -3.824 10.411 5.415 1.00 1.07 H new ATOM 88 N THR A 7 -7.458 7.984 2.123 1.00 0.50 N ATOM 89 CA THR A 7 -8.520 7.132 2.612 1.00 0.54 C ATOM 90 C THR A 7 -8.212 6.740 4.045 1.00 0.48 C ATOM 91 O THR A 7 -7.483 7.444 4.730 1.00 0.54 O ATOM 92 CB THR A 7 -8.675 5.863 1.750 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.167 6.102 0.432 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.132 5.429 1.660 1.00 0.83 C ATOM 0 H THR A 7 -6.891 7.580 1.378 1.00 0.50 H new ATOM 0 HA THR A 7 -9.458 7.684 2.559 1.00 0.54 H new ATOM 0 HB THR A 7 -8.107 5.064 2.226 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.224 5.840 0.392 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.207 4.532 1.046 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.511 5.217 2.660 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.722 6.227 1.210 1.00 0.83 H new ATOM 102 N GLU A 8 -8.799 5.660 4.523 1.00 0.45 N ATOM 103 CA GLU A 8 -8.498 5.204 5.875 1.00 0.44 C ATOM 104 C GLU A 8 -7.193 4.414 5.900 1.00 0.41 C ATOM 105 O GLU A 8 -6.550 4.296 6.943 1.00 0.42 O ATOM 106 CB GLU A 8 -9.614 4.333 6.452 1.00 0.50 C ATOM 107 CG GLU A 8 -10.973 4.531 5.807 1.00 0.52 C ATOM 108 CD GLU A 8 -12.106 4.039 6.685 1.00 1.09 C ATOM 109 OE1 GLU A 8 -12.554 4.807 7.561 1.00 1.67 O ATOM 110 OE2 GLU A 8 -12.541 2.884 6.500 1.00 1.94 O ATOM 0 H GLU A 8 -9.473 5.090 4.012 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.404 6.099 6.491 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -9.328 3.286 6.350 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -9.701 4.538 7.519 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -11.118 5.589 5.590 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.000 4.003 4.854 1.00 0.52 H new ATOM 117 N LEU A 9 -6.800 3.880 4.744 1.00 0.41 N ATOM 118 CA LEU A 9 -5.594 3.080 4.644 1.00 0.40 C ATOM 119 C LEU A 9 -4.345 3.915 4.886 1.00 0.38 C ATOM 120 O LEU A 9 -3.311 3.391 5.293 1.00 0.39 O ATOM 121 CB LEU A 9 -5.526 2.457 3.255 1.00 0.45 C ATOM 122 CG LEU A 9 -6.862 2.006 2.669 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.649 1.118 1.453 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.690 1.298 3.721 1.00 0.92 C ATOM 0 H LEU A 9 -7.305 3.991 3.865 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.632 2.305 5.410 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.076 3.179 2.574 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.858 1.597 3.294 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.410 2.890 2.343 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.615 0.810 1.054 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -6.101 1.671 0.690 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -6.078 0.236 1.742 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.639 0.983 3.286 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -7.149 0.424 4.082 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.879 1.977 4.553 1.00 0.92 H new ATOM 136 N GLU A 10 -4.436 5.220 4.629 1.00 0.38 N ATOM 137 CA GLU A 10 -3.296 6.111 4.830 1.00 0.39 C ATOM 138 C GLU A 10 -2.765 5.934 6.238 1.00 0.38 C ATOM 139 O GLU A 10 -1.560 5.948 6.466 1.00 0.40 O ATOM 140 CB GLU A 10 -3.698 7.554 4.574 1.00 0.46 C ATOM 141 CG GLU A 10 -4.977 7.942 5.262 1.00 0.45 C ATOM 142 CD GLU A 10 -4.757 8.769 6.514 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.331 8.196 7.538 1.00 1.27 O ATOM 144 OE2 GLU A 10 -5.016 9.991 6.470 1.00 1.16 O ATOM 0 H GLU A 10 -5.279 5.679 4.285 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.507 5.858 4.122 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -2.897 8.213 4.910 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.809 7.709 3.501 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.599 8.506 4.567 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.529 7.039 5.523 1.00 0.45 H new ATOM 151 N ALA A 11 -3.677 5.771 7.188 1.00 0.39 N ATOM 152 CA ALA A 11 -3.284 5.518 8.572 1.00 0.39 C ATOM 153 C ALA A 11 -2.309 4.350 8.611 1.00 0.36 C ATOM 154 O ALA A 11 -1.418 4.291 9.459 1.00 0.39 O ATOM 155 CB ALA A 11 -4.499 5.224 9.438 1.00 0.42 C ATOM 0 H ALA A 11 -4.684 5.808 7.030 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.800 6.410 8.971 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -4.179 5.039 10.463 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.176 6.078 9.417 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -5.015 4.343 9.055 1.00 0.42 H new ATOM 161 N ALA A 12 -2.496 3.422 7.678 1.00 0.33 N ATOM 162 CA ALA A 12 -1.615 2.270 7.563 1.00 0.33 C ATOM 163 C ALA A 12 -0.242 2.729 7.102 1.00 0.33 C ATOM 164 O ALA A 12 0.777 2.122 7.431 1.00 0.34 O ATOM 165 CB ALA A 12 -2.190 1.245 6.595 1.00 0.34 C ATOM 0 H ALA A 12 -3.250 3.447 6.992 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.525 1.793 8.539 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.515 0.392 6.525 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -3.162 0.909 6.956 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.305 1.699 5.611 1.00 0.34 H new ATOM 171 N ILE A 13 -0.230 3.817 6.330 1.00 0.36 N ATOM 172 CA ILE A 13 1.008 4.391 5.833 1.00 0.40 C ATOM 173 C ILE A 13 1.981 4.596 6.995 1.00 0.39 C ATOM 174 O ILE A 13 3.197 4.532 6.828 1.00 0.42 O ATOM 175 CB ILE A 13 0.753 5.728 5.068 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.730 5.864 3.898 1.00 0.90 C ATOM 177 CG2 ILE A 13 0.847 6.956 5.977 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.180 5.942 4.322 1.00 2.05 C ATOM 0 H ILE A 13 -1.071 4.315 6.038 1.00 0.36 H new ATOM 0 HA ILE A 13 1.451 3.697 5.119 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.269 5.687 4.690 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.602 5.013 3.228 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.479 6.759 3.328 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.661 7.857 5.392 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.104 6.879 6.771 1.00 0.99 H new ATOM 0 HG23 ILE A 13 1.843 7.008 6.416 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.813 6.037 3.439 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.324 6.809 4.967 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.449 5.036 4.865 1.00 2.05 H new ATOM 190 N GLU A 14 1.410 4.842 8.175 1.00 0.39 N ATOM 191 CA GLU A 14 2.189 5.058 9.387 1.00 0.42 C ATOM 192 C GLU A 14 3.094 3.867 9.669 1.00 0.38 C ATOM 193 O GLU A 14 4.196 4.029 10.192 1.00 0.46 O ATOM 194 CB GLU A 14 1.260 5.299 10.577 1.00 0.46 C ATOM 195 CG GLU A 14 0.338 6.493 10.398 1.00 0.79 C ATOM 196 CD GLU A 14 -0.586 6.698 11.581 1.00 1.46 C ATOM 197 OE1 GLU A 14 -1.673 6.083 11.600 1.00 2.02 O ATOM 198 OE2 GLU A 14 -0.222 7.472 12.493 1.00 2.25 O ATOM 0 H GLU A 14 0.401 4.896 8.313 1.00 0.39 H new ATOM 0 HA GLU A 14 2.813 5.939 9.237 1.00 0.42 H new ATOM 0 HB2 GLU A 14 0.657 4.406 10.743 1.00 0.46 H new ATOM 0 HB3 GLU A 14 1.862 5.447 11.473 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.937 7.391 10.250 1.00 0.79 H new ATOM 0 HG3 GLU A 14 -0.258 6.355 9.496 1.00 0.79 H new ATOM 205 N THR A 15 2.629 2.670 9.328 1.00 0.30 N ATOM 206 CA THR A 15 3.433 1.471 9.546 1.00 0.28 C ATOM 207 C THR A 15 4.492 1.333 8.456 1.00 0.29 C ATOM 208 O THR A 15 5.688 1.473 8.710 1.00 0.35 O ATOM 209 CB THR A 15 2.574 0.192 9.572 1.00 0.28 C ATOM 210 OG1 THR A 15 1.560 0.293 10.578 1.00 0.29 O ATOM 211 CG2 THR A 15 3.439 -1.030 9.843 1.00 0.32 C ATOM 0 H THR A 15 1.715 2.504 8.906 1.00 0.30 H new ATOM 0 HA THR A 15 3.909 1.585 10.520 1.00 0.28 H new ATOM 0 HB THR A 15 2.102 0.082 8.596 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.021 -0.525 10.582 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.814 -1.923 9.857 1.00 0.32 H new ATOM 0 HG22 THR A 15 4.190 -1.126 9.059 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.934 -0.919 10.808 1.00 0.32 H new ATOM 219 N VAL A 16 4.032 1.070 7.241 1.00 0.27 N ATOM 220 CA VAL A 16 4.911 0.912 6.088 1.00 0.28 C ATOM 221 C VAL A 16 5.979 2.005 6.033 1.00 0.30 C ATOM 222 O VAL A 16 7.088 1.775 5.553 1.00 0.36 O ATOM 223 CB VAL A 16 4.085 0.934 4.792 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.248 2.194 4.737 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.980 0.838 3.568 1.00 0.33 C ATOM 0 H VAL A 16 3.041 0.960 7.026 1.00 0.27 H new ATOM 0 HA VAL A 16 5.417 -0.048 6.190 1.00 0.28 H new ATOM 0 HB VAL A 16 3.426 0.066 4.791 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.665 2.204 3.816 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.574 2.221 5.593 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.901 3.066 4.762 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.367 0.856 2.667 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.670 1.682 3.555 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.546 -0.093 3.603 1.00 0.33 H new ATOM 235 N VAL A 17 5.638 3.191 6.524 1.00 0.31 N ATOM 236 CA VAL A 17 6.566 4.310 6.526 1.00 0.33 C ATOM 237 C VAL A 17 7.535 4.196 7.706 1.00 0.30 C ATOM 238 O VAL A 17 8.740 4.402 7.570 1.00 0.32 O ATOM 239 CB VAL A 17 5.822 5.661 6.600 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.217 5.894 7.977 1.00 0.45 C ATOM 241 CG2 VAL A 17 6.749 6.802 6.223 1.00 0.50 C ATOM 0 H VAL A 17 4.724 3.400 6.926 1.00 0.31 H new ATOM 0 HA VAL A 17 7.124 4.275 5.590 1.00 0.33 H new ATOM 0 HB VAL A 17 5.002 5.626 5.882 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.702 6.854 7.990 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.507 5.098 8.202 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.008 5.896 8.726 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.207 7.746 6.281 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.594 6.826 6.911 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.113 6.655 5.206 1.00 0.50 H new ATOM 251 N SER A 18 6.978 3.878 8.873 1.00 0.33 N ATOM 252 CA SER A 18 7.765 3.735 10.093 1.00 0.40 C ATOM 253 C SER A 18 8.431 2.361 10.195 1.00 0.44 C ATOM 254 O SER A 18 9.093 2.066 11.189 1.00 0.59 O ATOM 255 CB SER A 18 6.885 3.977 11.320 1.00 0.51 C ATOM 256 OG SER A 18 6.408 5.312 11.350 1.00 1.32 O ATOM 0 H SER A 18 5.979 3.714 8.998 1.00 0.33 H new ATOM 0 HA SER A 18 8.557 4.483 10.055 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.042 3.286 11.309 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.454 3.770 12.226 1.00 0.51 H new ATOM 0 HG SER A 18 5.511 5.348 10.957 1.00 1.32 H new ATOM 262 N THR A 19 8.163 1.483 9.236 1.00 0.37 N ATOM 263 CA THR A 19 8.788 0.160 9.223 1.00 0.44 C ATOM 264 C THR A 19 10.130 0.124 8.470 1.00 0.46 C ATOM 265 O THR A 19 11.196 0.330 9.047 1.00 0.54 O ATOM 266 CB THR A 19 7.840 -0.931 8.666 1.00 0.45 C ATOM 267 OG1 THR A 19 7.323 -0.559 7.375 1.00 0.42 O ATOM 268 CG2 THR A 19 6.689 -1.188 9.629 1.00 0.49 C ATOM 0 H THR A 19 7.523 1.658 8.462 1.00 0.37 H new ATOM 0 HA THR A 19 8.997 -0.060 10.270 1.00 0.44 H new ATOM 0 HB THR A 19 8.420 -1.847 8.556 1.00 0.45 H new ATOM 0 HG1 THR A 19 7.003 -1.359 6.908 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.036 -1.958 9.218 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.085 -1.522 10.588 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.121 -0.268 9.771 1.00 0.49 H new ATOM 276 N PHE A 20 10.038 -0.151 7.171 1.00 0.45 N ATOM 277 CA PHE A 20 11.179 -0.278 6.269 1.00 0.54 C ATOM 278 C PHE A 20 11.639 1.069 5.788 1.00 0.52 C ATOM 279 O PHE A 20 12.826 1.305 5.567 1.00 0.64 O ATOM 280 CB PHE A 20 10.747 -1.136 5.089 1.00 0.60 C ATOM 281 CG PHE A 20 11.695 -1.161 3.936 1.00 0.72 C ATOM 282 CD1 PHE A 20 13.058 -1.253 4.137 1.00 1.60 C ATOM 283 CD2 PHE A 20 11.213 -1.103 2.641 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.920 -1.288 3.075 1.00 1.77 C ATOM 285 CE2 PHE A 20 12.073 -1.138 1.572 1.00 1.37 C ATOM 286 CZ PHE A 20 13.428 -1.233 1.791 1.00 1.18 C ATOM 0 H PHE A 20 9.143 -0.296 6.704 1.00 0.45 H new ATOM 0 HA PHE A 20 12.015 -0.740 6.795 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.600 -2.158 5.439 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.780 -0.778 4.735 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.448 -1.298 5.143 1.00 1.60 H new ATOM 0 HD2 PHE A 20 10.149 -1.029 2.469 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.984 -1.359 3.244 1.00 1.77 H new ATOM 0 HE2 PHE A 20 11.688 -1.091 0.564 1.00 1.37 H new ATOM 0 HZ PHE A 20 14.108 -1.265 0.952 1.00 1.18 H new ATOM 296 N PHE A 21 10.678 1.952 5.634 1.00 0.44 N ATOM 297 CA PHE A 21 10.949 3.293 5.192 1.00 0.47 C ATOM 298 C PHE A 21 11.642 4.080 6.290 1.00 0.49 C ATOM 299 O PHE A 21 11.892 5.266 6.179 1.00 0.62 O ATOM 300 CB PHE A 21 9.642 3.910 4.679 1.00 0.48 C ATOM 301 CG PHE A 21 9.041 3.119 3.521 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.770 2.093 2.920 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.749 3.371 3.043 1.00 1.16 C ATOM 304 CE1 PHE A 21 9.232 1.346 1.889 1.00 1.44 C ATOM 305 CE2 PHE A 21 7.216 2.620 2.008 1.00 1.13 C ATOM 306 CZ PHE A 21 7.955 1.607 1.438 1.00 0.54 C ATOM 0 H PHE A 21 9.693 1.758 5.812 1.00 0.44 H new ATOM 0 HA PHE A 21 11.650 3.307 4.357 1.00 0.47 H new ATOM 0 HB2 PHE A 21 8.921 3.958 5.495 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.829 4.935 4.357 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.771 1.879 3.266 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.161 4.161 3.487 1.00 1.16 H new ATOM 0 HE1 PHE A 21 9.813 0.556 1.436 1.00 1.44 H new ATOM 0 HE2 PHE A 21 6.220 2.829 1.648 1.00 1.13 H new ATOM 0 HZ PHE A 21 7.534 1.017 0.637 1.00 0.54 H new ATOM 316 N THR A 22 11.917 3.423 7.393 1.00 0.47 N ATOM 317 CA THR A 22 12.711 4.054 8.410 1.00 0.54 C ATOM 318 C THR A 22 14.164 4.131 7.938 1.00 0.49 C ATOM 319 O THR A 22 14.987 4.796 8.568 1.00 0.54 O ATOM 320 CB THR A 22 12.669 3.253 9.712 1.00 0.66 C ATOM 321 OG1 THR A 22 13.347 2.013 9.540 1.00 0.66 O ATOM 322 CG2 THR A 22 11.248 2.990 10.118 1.00 0.81 C ATOM 0 H THR A 22 11.609 2.474 7.603 1.00 0.47 H new ATOM 0 HA THR A 22 12.308 5.050 8.590 1.00 0.54 H new ATOM 0 HB THR A 22 13.161 3.834 10.492 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.695 1.309 9.340 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.235 2.419 11.046 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.731 3.938 10.267 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.745 2.422 9.335 1.00 0.81 H new ATOM 330 N PHE A 23 14.487 3.445 6.821 1.00 0.49 N ATOM 331 CA PHE A 23 15.873 3.407 6.364 1.00 0.51 C ATOM 332 C PHE A 23 16.275 4.641 5.568 1.00 0.44 C ATOM 333 O PHE A 23 17.459 4.869 5.329 1.00 0.45 O ATOM 334 CB PHE A 23 16.183 2.067 5.667 1.00 0.68 C ATOM 335 CG PHE A 23 16.370 2.038 4.178 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.440 2.658 3.550 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.513 1.273 3.423 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.628 2.525 2.189 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.700 1.121 2.075 1.00 1.93 C ATOM 340 CZ PHE A 23 16.758 1.749 1.451 1.00 1.82 C ATOM 0 H PHE A 23 13.824 2.929 6.242 1.00 0.49 H new ATOM 0 HA PHE A 23 16.516 3.450 7.243 1.00 0.51 H new ATOM 0 HB2 PHE A 23 17.090 1.665 6.119 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.374 1.377 5.909 1.00 0.68 H new ATOM 0 HD1 PHE A 23 18.132 3.250 4.131 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.678 0.783 3.901 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.453 3.026 1.704 1.00 1.88 H new ATOM 0 HE2 PHE A 23 15.020 0.510 1.501 1.00 1.93 H new ATOM 0 HZ PHE A 23 16.905 1.633 0.387 1.00 1.82 H new ATOM 350 N ALA A 24 15.304 5.471 5.191 1.00 0.50 N ATOM 351 CA ALA A 24 15.626 6.708 4.485 1.00 0.58 C ATOM 352 C ALA A 24 16.618 7.496 5.304 1.00 0.60 C ATOM 353 O ALA A 24 17.474 8.205 4.774 1.00 0.65 O ATOM 354 CB ALA A 24 14.382 7.537 4.225 1.00 0.71 C ATOM 0 H ALA A 24 14.310 5.315 5.358 1.00 0.50 H new ATOM 0 HA ALA A 24 16.059 6.457 3.517 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.657 8.451 3.698 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.683 6.963 3.616 1.00 0.71 H new ATOM 0 HB3 ALA A 24 13.911 7.793 5.174 1.00 0.71 H new ATOM 360 N GLY A 25 16.489 7.352 6.617 1.00 0.68 N ATOM 361 CA GLY A 25 17.403 8.001 7.535 1.00 0.81 C ATOM 362 C GLY A 25 18.844 7.874 7.065 1.00 0.71 C ATOM 363 O GLY A 25 19.685 8.730 7.345 1.00 0.80 O ATOM 0 H GLY A 25 15.762 6.793 7.064 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.141 9.055 7.628 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.301 7.558 8.526 1.00 0.81 H new ATOM 367 N ARG A 26 19.113 6.788 6.339 1.00 0.60 N ATOM 368 CA ARG A 26 20.435 6.526 5.787 1.00 0.59 C ATOM 369 C ARG A 26 20.901 7.690 4.930 1.00 0.57 C ATOM 370 O ARG A 26 22.065 8.088 4.981 1.00 0.71 O ATOM 371 CB ARG A 26 20.407 5.247 4.952 1.00 0.61 C ATOM 372 CG ARG A 26 20.418 3.988 5.797 1.00 1.17 C ATOM 373 CD ARG A 26 21.430 2.980 5.279 1.00 0.97 C ATOM 374 NE ARG A 26 22.771 3.553 5.182 1.00 1.55 N ATOM 375 CZ ARG A 26 23.862 2.837 4.929 1.00 1.95 C ATOM 376 NH1 ARG A 26 23.770 1.527 4.749 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.045 3.432 4.856 1.00 2.82 N ATOM 0 H ARG A 26 18.422 6.071 6.120 1.00 0.60 H new ATOM 0 HA ARG A 26 21.135 6.403 6.614 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.516 5.249 4.324 1.00 0.61 H new ATOM 0 HB3 ARG A 26 21.268 5.237 4.284 1.00 0.61 H new ATOM 0 HG2 ARG A 26 20.653 4.244 6.830 1.00 1.17 H new ATOM 0 HG3 ARG A 26 19.424 3.540 5.798 1.00 1.17 H new ATOM 0 HD2 ARG A 26 21.452 2.115 5.942 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.116 2.622 4.298 1.00 0.97 H new ATOM 0 HE ARG A 26 22.876 4.559 5.316 1.00 1.55 H new ATOM 0 HH11 ARG A 26 22.861 1.067 4.805 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.608 0.979 4.555 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.118 4.440 4.994 1.00 2.82 H new ATOM 0 HH22 ARG A 26 25.882 2.882 4.662 1.00 2.82 H new ATOM 391 N GLU A 27 19.983 8.237 4.143 1.00 0.50 N ATOM 392 CA GLU A 27 20.302 9.370 3.286 1.00 0.58 C ATOM 393 C GLU A 27 20.142 10.672 4.065 1.00 0.80 C ATOM 394 O GLU A 27 19.061 10.983 4.564 1.00 1.27 O ATOM 395 CB GLU A 27 19.402 9.375 2.049 1.00 0.98 C ATOM 396 CG GLU A 27 19.518 8.114 1.206 1.00 0.85 C ATOM 397 CD GLU A 27 20.927 7.875 0.699 1.00 1.09 C ATOM 398 OE1 GLU A 27 21.732 7.274 1.441 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.225 8.289 -0.441 1.00 1.78 O ATOM 0 H GLU A 27 19.017 7.916 4.081 1.00 0.50 H new ATOM 0 HA GLU A 27 21.337 9.281 2.956 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.366 9.497 2.364 1.00 0.98 H new ATOM 0 HB3 GLU A 27 19.651 10.238 1.432 1.00 0.98 H new ATOM 0 HG2 GLU A 27 19.199 7.256 1.798 1.00 0.85 H new ATOM 0 HG3 GLU A 27 18.838 8.186 0.357 1.00 0.85 H new ATOM 406 N GLY A 28 21.241 11.420 4.163 1.00 1.33 N ATOM 407 CA GLY A 28 21.261 12.676 4.902 1.00 1.88 C ATOM 408 C GLY A 28 19.969 13.466 4.841 1.00 1.36 C ATOM 409 O GLY A 28 19.094 13.304 5.691 1.00 1.58 O ATOM 0 H GLY A 28 22.133 11.173 3.735 1.00 1.33 H new ATOM 0 HA2 GLY A 28 21.493 12.464 5.946 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.069 13.297 4.515 1.00 1.88 H new ATOM 413 N ARG A 29 19.857 14.330 3.837 1.00 1.16 N ATOM 414 CA ARG A 29 18.677 15.174 3.670 1.00 1.06 C ATOM 415 C ARG A 29 17.387 14.397 3.929 1.00 1.13 C ATOM 416 O ARG A 29 17.390 13.167 3.986 1.00 1.73 O ATOM 417 CB ARG A 29 18.653 15.776 2.260 1.00 1.38 C ATOM 418 CG ARG A 29 17.503 16.744 2.022 1.00 1.78 C ATOM 419 CD ARG A 29 17.595 17.403 0.656 1.00 2.37 C ATOM 420 NE ARG A 29 18.771 18.259 0.539 1.00 2.89 N ATOM 421 CZ ARG A 29 18.953 19.129 -0.449 1.00 3.59 C ATOM 422 NH1 ARG A 29 18.038 19.256 -1.401 1.00 3.91 N ATOM 423 NH2 ARG A 29 20.048 19.876 -0.483 1.00 4.31 N ATOM 0 H ARG A 29 20.573 14.465 3.123 1.00 1.16 H new ATOM 0 HA ARG A 29 18.737 15.976 4.405 1.00 1.06 H new ATOM 0 HB2 ARG A 29 19.595 16.295 2.081 1.00 1.38 H new ATOM 0 HB3 ARG A 29 18.591 14.968 1.531 1.00 1.38 H new ATOM 0 HG2 ARG A 29 16.556 16.211 2.106 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.507 17.511 2.797 1.00 1.78 H new ATOM 0 HD2 ARG A 29 17.628 16.634 -0.116 1.00 2.37 H new ATOM 0 HD3 ARG A 29 16.697 17.995 0.478 1.00 2.37 H new ATOM 0 HE ARG A 29 19.493 18.186 1.255 1.00 2.89 H new ATOM 0 HH11 ARG A 29 17.193 18.685 -1.376 1.00 3.91 H new ATOM 0 HH12 ARG A 29 18.179 19.924 -2.158 1.00 3.91 H new ATOM 0 HH21 ARG A 29 20.752 19.783 0.250 1.00 4.31 H new ATOM 0 HH22 ARG A 29 20.187 20.543 -1.242 1.00 4.31 H new ATOM 437 N LYS A 30 16.285 15.123 4.071 1.00 1.04 N ATOM 438 CA LYS A 30 14.995 14.502 4.314 1.00 1.47 C ATOM 439 C LYS A 30 14.253 14.359 2.998 1.00 1.32 C ATOM 440 O LYS A 30 13.142 14.862 2.831 1.00 1.64 O ATOM 441 CB LYS A 30 14.167 15.345 5.287 1.00 2.03 C ATOM 442 CG LYS A 30 13.160 14.540 6.093 1.00 2.65 C ATOM 443 CD LYS A 30 12.385 15.425 7.056 1.00 3.51 C ATOM 444 CE LYS A 30 11.454 14.608 7.938 1.00 4.01 C ATOM 445 NZ LYS A 30 10.421 13.889 7.142 1.00 4.77 N ATOM 0 H LYS A 30 16.262 16.142 4.022 1.00 1.04 H new ATOM 0 HA LYS A 30 15.152 13.519 4.758 1.00 1.47 H new ATOM 0 HB2 LYS A 30 14.841 15.858 5.973 1.00 2.03 H new ATOM 0 HB3 LYS A 30 13.637 16.115 4.726 1.00 2.03 H new ATOM 0 HG2 LYS A 30 12.466 14.041 5.417 1.00 2.65 H new ATOM 0 HG3 LYS A 30 13.678 13.760 6.650 1.00 2.65 H new ATOM 0 HD2 LYS A 30 13.083 15.983 7.680 1.00 3.51 H new ATOM 0 HD3 LYS A 30 11.805 16.157 6.493 1.00 3.51 H new ATOM 0 HE2 LYS A 30 12.037 13.887 8.511 1.00 4.01 H new ATOM 0 HE3 LYS A 30 10.965 15.266 8.657 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 9.940 13.192 7.746 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 9.725 14.571 6.779 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 10.875 13.400 6.344 1.00 4.77 H new ATOM 459 N GLY A 31 14.890 13.662 2.066 1.00 0.95 N ATOM 460 CA GLY A 31 14.297 13.439 0.770 1.00 0.88 C ATOM 461 C GLY A 31 13.641 12.108 0.712 1.00 0.80 C ATOM 462 O GLY A 31 12.458 12.014 0.947 1.00 0.85 O ATOM 0 H GLY A 31 15.813 13.246 2.190 1.00 0.95 H new ATOM 0 HA2 GLY A 31 13.565 14.219 0.561 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.064 13.506 -0.002 1.00 0.88 H new ATOM 466 N SER A 32 14.376 11.085 0.356 1.00 0.74 N ATOM 467 CA SER A 32 13.796 9.763 0.283 1.00 0.71 C ATOM 468 C SER A 32 14.773 8.703 0.736 1.00 0.70 C ATOM 469 O SER A 32 15.925 8.990 1.064 1.00 0.74 O ATOM 470 CB SER A 32 13.336 9.478 -1.142 1.00 0.68 C ATOM 471 OG SER A 32 14.396 9.666 -2.064 1.00 1.10 O ATOM 0 H SER A 32 15.366 11.137 0.114 1.00 0.74 H new ATOM 0 HA SER A 32 12.938 9.733 0.955 1.00 0.71 H new ATOM 0 HB2 SER A 32 12.966 8.455 -1.211 1.00 0.68 H new ATOM 0 HB3 SER A 32 12.505 10.135 -1.398 1.00 0.68 H new ATOM 0 HG SER A 32 14.088 9.442 -2.967 1.00 1.10 H new ATOM 477 N LEU A 33 14.298 7.475 0.748 1.00 0.72 N ATOM 478 CA LEU A 33 15.125 6.344 1.097 1.00 0.74 C ATOM 479 C LEU A 33 15.669 5.776 -0.183 1.00 0.56 C ATOM 480 O LEU A 33 15.065 5.958 -1.241 1.00 0.52 O ATOM 481 CB LEU A 33 14.323 5.305 1.897 1.00 0.99 C ATOM 482 CG LEU A 33 14.251 3.858 1.374 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.452 2.993 2.342 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.651 3.770 -0.024 1.00 1.69 C ATOM 0 H LEU A 33 13.334 7.236 0.517 1.00 0.72 H new ATOM 0 HA LEU A 33 15.949 6.649 1.742 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.739 5.271 2.904 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.301 5.675 1.986 1.00 0.99 H new ATOM 0 HG LEU A 33 15.274 3.489 1.307 1.00 1.19 H new ATOM 0 HD11 LEU A 33 13.406 1.972 1.964 1.00 1.93 H new ATOM 0 HD12 LEU A 33 13.936 2.997 3.319 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.442 3.391 2.436 1.00 1.93 H new ATOM 0 HD21 LEU A 33 13.624 2.728 -0.343 1.00 1.69 H new ATOM 0 HD22 LEU A 33 12.638 4.172 -0.011 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.261 4.347 -0.719 1.00 1.69 H new ATOM 496 N ASN A 34 16.800 5.104 -0.125 1.00 0.57 N ATOM 497 CA ASN A 34 17.374 4.613 -1.360 1.00 0.47 C ATOM 498 C ASN A 34 17.324 3.091 -1.449 1.00 0.41 C ATOM 499 O ASN A 34 16.237 2.515 -1.443 1.00 0.56 O ATOM 500 CB ASN A 34 18.784 5.185 -1.502 1.00 0.56 C ATOM 501 CG ASN A 34 19.338 5.047 -2.906 1.00 1.37 C ATOM 502 OD1 ASN A 34 20.058 4.099 -3.210 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.001 5.996 -3.772 1.00 2.11 N ATOM 0 H ASN A 34 17.322 4.892 0.725 1.00 0.57 H new ATOM 0 HA ASN A 34 16.779 4.956 -2.206 1.00 0.47 H new ATOM 0 HB2 ASN A 34 18.773 6.239 -1.223 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.449 4.677 -0.803 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.343 5.955 -4.732 1.00 2.11 H new ATOM 0 HD22 ASN A 34 18.400 6.766 -3.477 1.00 2.11 H new ATOM 510 N ILE A 35 18.470 2.432 -1.558 1.00 0.54 N ATOM 511 CA ILE A 35 18.488 0.992 -1.642 1.00 0.54 C ATOM 512 C ILE A 35 19.641 0.397 -0.856 1.00 0.56 C ATOM 513 O ILE A 35 20.148 -0.677 -1.179 1.00 0.63 O ATOM 514 CB ILE A 35 18.524 0.502 -3.100 1.00 0.60 C ATOM 515 CG1 ILE A 35 19.424 1.397 -3.949 1.00 0.70 C ATOM 516 CG2 ILE A 35 17.117 0.470 -3.673 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.819 1.547 -3.392 1.00 1.05 C ATOM 0 H ILE A 35 19.389 2.874 -1.589 1.00 0.54 H new ATOM 0 HA ILE A 35 17.557 0.645 -1.194 1.00 0.54 H new ATOM 0 HB ILE A 35 18.935 -0.507 -3.117 1.00 0.60 H new ATOM 0 HG12 ILE A 35 19.486 0.986 -4.957 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.967 2.383 -4.034 1.00 0.70 H new ATOM 0 HG21 ILE A 35 17.152 0.122 -4.705 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.499 -0.207 -3.083 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.689 1.472 -3.642 1.00 0.66 H new ATOM 0 HD11 ILE A 35 21.404 2.195 -4.045 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.768 1.986 -2.396 1.00 1.05 H new ATOM 0 HD13 ILE A 35 21.294 0.568 -3.333 1.00 1.05 H new ATOM 529 N ASN A 36 20.043 1.106 0.187 1.00 0.59 N ATOM 530 CA ASN A 36 21.114 0.649 1.053 1.00 0.63 C ATOM 531 C ASN A 36 20.553 -0.352 2.030 1.00 0.59 C ATOM 532 O ASN A 36 20.935 -1.519 2.022 1.00 0.59 O ATOM 533 CB ASN A 36 21.762 1.822 1.788 1.00 0.70 C ATOM 534 CG ASN A 36 22.353 2.843 0.836 1.00 1.33 C ATOM 535 OD1 ASN A 36 23.519 2.749 0.453 1.00 2.15 O ATOM 536 ND2 ASN A 36 21.549 3.826 0.450 1.00 1.89 N ATOM 0 H ASN A 36 19.640 2.004 0.454 1.00 0.59 H new ATOM 0 HA ASN A 36 21.890 0.176 0.451 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.018 2.307 2.421 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.545 1.447 2.447 1.00 0.70 H new ATOM 0 HD21 ASN A 36 21.891 4.543 -0.190 1.00 1.89 H new ATOM 0 HD22 ASN A 36 20.589 3.864 0.793 1.00 1.89 H new ATOM 543 N GLU A 37 19.653 0.089 2.891 1.00 0.57 N ATOM 544 CA GLU A 37 19.044 -0.854 3.802 1.00 0.56 C ATOM 545 C GLU A 37 17.978 -1.642 3.070 1.00 0.50 C ATOM 546 O GLU A 37 17.515 -2.663 3.569 1.00 0.52 O ATOM 547 CB GLU A 37 18.491 -0.192 5.044 1.00 0.66 C ATOM 548 CG GLU A 37 19.386 0.921 5.527 1.00 0.75 C ATOM 549 CD GLU A 37 19.253 1.195 7.016 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.682 0.336 7.816 1.00 1.40 O ATOM 551 OE2 GLU A 37 18.724 2.265 7.383 1.00 1.29 O ATOM 0 H GLU A 37 19.339 1.056 2.976 1.00 0.57 H new ATOM 0 HA GLU A 37 19.820 -1.535 4.152 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.498 0.205 4.834 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.377 -0.936 5.833 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.422 0.668 5.302 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.153 1.831 4.975 1.00 0.75 H new ATOM 558 N PHE A 38 17.573 -1.184 1.869 1.00 0.46 N ATOM 559 CA PHE A 38 16.633 -1.947 1.077 1.00 0.42 C ATOM 560 C PHE A 38 17.238 -3.326 0.886 1.00 0.45 C ATOM 561 O PHE A 38 16.534 -4.325 0.776 1.00 0.45 O ATOM 562 CB PHE A 38 16.390 -1.254 -0.268 1.00 0.43 C ATOM 563 CG PHE A 38 15.244 -1.809 -1.067 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.224 -3.131 -1.472 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.178 -0.993 -1.405 1.00 1.30 C ATOM 566 CE1 PHE A 38 14.157 -3.630 -2.200 1.00 1.21 C ATOM 567 CE2 PHE A 38 13.110 -1.485 -2.130 1.00 1.32 C ATOM 568 CZ PHE A 38 13.099 -2.806 -2.527 1.00 0.45 C ATOM 0 H PHE A 38 17.883 -0.308 1.448 1.00 0.46 H new ATOM 0 HA PHE A 38 15.665 -2.024 1.573 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.208 -0.195 -0.087 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.299 -1.324 -0.866 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.049 -3.781 -1.218 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.181 0.042 -1.098 1.00 1.30 H new ATOM 0 HE1 PHE A 38 14.153 -4.664 -2.512 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.285 -0.836 -2.386 1.00 1.32 H new ATOM 0 HZ PHE A 38 12.265 -3.195 -3.092 1.00 0.45 H new ATOM 578 N LYS A 39 18.576 -3.360 0.923 1.00 0.49 N ATOM 579 CA LYS A 39 19.310 -4.598 0.806 1.00 0.53 C ATOM 580 C LYS A 39 18.985 -5.528 1.956 1.00 0.53 C ATOM 581 O LYS A 39 19.332 -6.704 1.948 1.00 0.56 O ATOM 582 CB LYS A 39 20.805 -4.326 0.734 1.00 0.61 C ATOM 583 CG LYS A 39 21.137 -3.222 -0.234 1.00 0.67 C ATOM 584 CD LYS A 39 21.953 -3.737 -1.410 1.00 0.71 C ATOM 585 CE LYS A 39 23.334 -4.197 -0.969 1.00 1.47 C ATOM 586 NZ LYS A 39 24.086 -3.116 -0.272 1.00 1.80 N ATOM 0 H LYS A 39 19.162 -2.533 1.034 1.00 0.49 H new ATOM 0 HA LYS A 39 19.007 -5.090 -0.118 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.172 -4.060 1.725 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.324 -5.237 0.435 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.216 -2.769 -0.600 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.694 -2.440 0.282 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.427 -4.565 -1.885 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.052 -2.951 -2.158 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.235 -5.056 -0.305 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.900 -4.530 -1.839 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.092 -3.374 -0.215 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 23.987 -2.227 -0.802 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.705 -2.991 0.688 1.00 1.80 H new ATOM 600 N GLU A 40 18.378 -4.959 2.964 1.00 0.52 N ATOM 601 CA GLU A 40 17.920 -5.699 4.116 1.00 0.56 C ATOM 602 C GLU A 40 16.562 -6.352 3.785 1.00 0.54 C ATOM 603 O GLU A 40 16.068 -7.192 4.536 1.00 0.60 O ATOM 604 CB GLU A 40 17.819 -4.759 5.340 1.00 0.60 C ATOM 605 CG GLU A 40 16.454 -4.109 5.520 1.00 1.09 C ATOM 606 CD GLU A 40 15.618 -4.788 6.587 1.00 1.91 C ATOM 607 OE1 GLU A 40 15.784 -4.448 7.777 1.00 2.43 O ATOM 608 OE2 GLU A 40 14.798 -5.661 6.232 1.00 2.62 O ATOM 0 H GLU A 40 18.184 -3.959 3.011 1.00 0.52 H new ATOM 0 HA GLU A 40 18.630 -6.487 4.366 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.060 -5.326 6.239 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.572 -3.976 5.245 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.588 -3.060 5.782 1.00 1.09 H new ATOM 0 HG3 GLU A 40 15.916 -4.135 4.572 1.00 1.09 H new ATOM 615 N LEU A 41 15.962 -5.942 2.648 1.00 0.49 N ATOM 616 CA LEU A 41 14.667 -6.466 2.224 1.00 0.50 C ATOM 617 C LEU A 41 14.763 -7.923 1.813 1.00 0.55 C ATOM 618 O LEU A 41 14.590 -8.803 2.645 1.00 0.62 O ATOM 619 CB LEU A 41 14.083 -5.651 1.064 1.00 0.46 C ATOM 620 CG LEU A 41 13.701 -4.209 1.381 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.724 -3.691 0.340 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.109 -4.089 2.781 1.00 0.66 C ATOM 0 H LEU A 41 16.361 -5.250 2.014 1.00 0.49 H new ATOM 0 HA LEU A 41 14.002 -6.384 3.084 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.809 -5.643 0.251 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.197 -6.167 0.694 1.00 0.46 H new ATOM 0 HG LEU A 41 14.605 -3.601 1.352 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.456 -2.661 0.573 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.188 -3.731 -0.646 1.00 0.55 H new ATOM 0 HD13 LEU A 41 11.826 -4.309 0.344 1.00 0.55 H new ATOM 0 HD21 LEU A 41 12.847 -3.049 2.977 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.215 -4.708 2.852 1.00 0.66 H new ATOM 0 HD23 LEU A 41 13.842 -4.423 3.516 1.00 0.66 H new ATOM 634 N ALA A 42 15.033 -8.183 0.522 1.00 0.55 N ATOM 635 CA ALA A 42 15.143 -9.545 0.022 1.00 0.61 C ATOM 636 C ALA A 42 15.846 -10.448 1.018 1.00 0.67 C ATOM 637 O ALA A 42 15.429 -11.562 1.262 1.00 0.74 O ATOM 638 CB ALA A 42 15.902 -9.556 -1.277 1.00 0.65 C ATOM 0 H ALA A 42 15.177 -7.462 -0.185 1.00 0.55 H new ATOM 0 HA ALA A 42 14.132 -9.923 -0.133 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.980 -10.579 -1.644 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.376 -8.946 -2.011 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.901 -9.151 -1.118 1.00 0.65 H new ATOM 644 N THR A 43 16.863 -9.900 1.648 1.00 0.66 N ATOM 645 CA THR A 43 17.673 -10.619 2.593 1.00 0.73 C ATOM 646 C THR A 43 16.849 -11.148 3.764 1.00 0.78 C ATOM 647 O THR A 43 16.793 -12.354 4.002 1.00 0.86 O ATOM 648 CB THR A 43 18.774 -9.685 3.115 1.00 0.72 C ATOM 649 OG1 THR A 43 18.241 -8.362 3.299 1.00 0.66 O ATOM 650 CG2 THR A 43 19.952 -9.633 2.154 1.00 0.75 C ATOM 0 H THR A 43 17.150 -8.930 1.513 1.00 0.66 H new ATOM 0 HA THR A 43 18.109 -11.479 2.085 1.00 0.73 H new ATOM 0 HB THR A 43 19.128 -10.076 4.069 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.507 -7.795 2.545 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.716 -8.964 2.550 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.371 -10.633 2.037 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.615 -9.265 1.185 1.00 0.75 H new ATOM 658 N GLN A 44 16.222 -10.236 4.495 1.00 0.77 N ATOM 659 CA GLN A 44 15.408 -10.589 5.636 1.00 0.85 C ATOM 660 C GLN A 44 14.033 -11.069 5.216 1.00 0.85 C ATOM 661 O GLN A 44 13.462 -11.958 5.847 1.00 0.94 O ATOM 662 CB GLN A 44 15.278 -9.392 6.577 1.00 0.88 C ATOM 663 CG GLN A 44 16.570 -9.045 7.296 1.00 1.54 C ATOM 664 CD GLN A 44 17.056 -10.167 8.188 1.00 2.05 C ATOM 665 OE1 GLN A 44 17.815 -11.035 7.754 1.00 2.54 O ATOM 666 NE2 GLN A 44 16.621 -10.157 9.441 1.00 2.75 N ATOM 0 H GLN A 44 16.267 -9.234 4.309 1.00 0.77 H new ATOM 0 HA GLN A 44 15.903 -11.409 6.156 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.945 -8.525 6.006 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.505 -9.603 7.316 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.340 -8.810 6.561 1.00 1.54 H new ATOM 0 HG3 GLN A 44 16.418 -8.148 7.896 1.00 1.54 H new ATOM 0 HE21 GLN A 44 15.993 -9.418 9.757 1.00 2.75 H new ATOM 0 HE22 GLN A 44 16.914 -10.888 10.089 1.00 2.75 H new ATOM 675 N GLN A 45 13.500 -10.495 4.150 1.00 0.78 N ATOM 676 CA GLN A 45 12.187 -10.901 3.695 1.00 0.83 C ATOM 677 C GLN A 45 12.298 -12.204 2.921 1.00 0.79 C ATOM 678 O GLN A 45 11.296 -12.882 2.689 1.00 0.80 O ATOM 679 CB GLN A 45 11.493 -9.797 2.888 1.00 0.93 C ATOM 680 CG GLN A 45 11.856 -9.733 1.417 1.00 0.97 C ATOM 681 CD GLN A 45 10.734 -9.124 0.601 1.00 1.36 C ATOM 682 OE1 GLN A 45 9.815 -9.819 0.184 1.00 2.34 O ATOM 683 NE2 GLN A 45 10.800 -7.822 0.378 1.00 1.43 N ATOM 0 H GLN A 45 13.946 -9.763 3.597 1.00 0.78 H new ATOM 0 HA GLN A 45 11.552 -11.073 4.564 1.00 0.83 H new ATOM 0 HB2 GLN A 45 10.415 -9.934 2.972 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.729 -8.836 3.344 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.764 -9.143 1.289 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.073 -10.736 1.050 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.583 -7.281 0.744 1.00 1.43 H new ATOM 0 HE22 GLN A 45 10.067 -7.359 -0.160 1.00 1.43 H new ATOM 692 N LEU A 46 13.533 -12.555 2.512 1.00 0.78 N ATOM 693 CA LEU A 46 13.792 -13.801 1.822 1.00 0.78 C ATOM 694 C LEU A 46 13.023 -14.905 2.506 1.00 0.74 C ATOM 695 O LEU A 46 11.977 -15.246 2.019 1.00 0.75 O ATOM 696 CB LEU A 46 15.291 -14.153 1.756 1.00 0.83 C ATOM 697 CG LEU A 46 15.969 -14.075 0.376 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.245 -14.899 0.375 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.032 -14.549 -0.727 1.00 1.30 C ATOM 0 H LEU A 46 14.362 -11.978 2.656 1.00 0.78 H new ATOM 0 HA LEU A 46 13.461 -13.686 0.790 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.825 -13.487 2.434 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.418 -15.166 2.139 1.00 0.83 H new ATOM 0 HG LEU A 46 16.218 -13.032 0.178 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.717 -14.837 -0.606 1.00 1.25 H new ATOM 0 HD12 LEU A 46 17.928 -14.513 1.132 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.007 -15.939 0.598 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.540 -14.482 -1.689 1.00 1.30 H new ATOM 0 HD22 LEU A 46 14.744 -15.583 -0.540 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.141 -13.921 -0.742 1.00 1.30 H new ATOM 711 N PRO A 47 13.420 -15.436 3.686 1.00 0.78 N ATOM 712 CA PRO A 47 12.615 -16.516 4.231 1.00 0.80 C ATOM 713 C PRO A 47 11.232 -16.030 4.647 1.00 0.77 C ATOM 714 O PRO A 47 11.010 -15.608 5.782 1.00 0.81 O ATOM 715 CB PRO A 47 13.402 -16.926 5.486 1.00 0.90 C ATOM 716 CG PRO A 47 14.767 -16.355 5.304 1.00 0.95 C ATOM 717 CD PRO A 47 14.563 -15.081 4.544 1.00 0.90 C ATOM 0 HA PRO A 47 12.455 -17.318 3.511 1.00 0.80 H new ATOM 0 HB2 PRO A 47 12.931 -16.537 6.389 1.00 0.90 H new ATOM 0 HB3 PRO A 47 13.441 -18.011 5.588 1.00 0.90 H new ATOM 0 HG2 PRO A 47 15.246 -16.168 6.265 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.411 -17.042 4.755 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.338 -14.242 5.202 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.443 -14.804 3.963 1.00 0.90 H new ATOM 725 N HIS A 48 10.319 -16.093 3.689 1.00 0.73 N ATOM 726 CA HIS A 48 8.911 -15.800 3.899 1.00 0.74 C ATOM 727 C HIS A 48 8.144 -17.110 4.025 1.00 0.83 C ATOM 728 O HIS A 48 8.724 -18.181 3.840 1.00 0.91 O ATOM 729 CB HIS A 48 8.351 -14.927 2.763 1.00 0.73 C ATOM 730 CG HIS A 48 6.913 -14.569 2.956 1.00 0.98 C ATOM 731 ND1 HIS A 48 5.919 -14.941 2.079 1.00 1.87 N ATOM 732 CD2 HIS A 48 6.300 -13.886 3.951 1.00 1.34 C ATOM 733 CE1 HIS A 48 4.755 -14.504 2.524 1.00 2.04 C ATOM 734 NE2 HIS A 48 4.959 -13.862 3.659 1.00 1.61 N ATOM 0 H HIS A 48 10.541 -16.354 2.728 1.00 0.73 H new ATOM 0 HA HIS A 48 8.794 -15.231 4.821 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.941 -14.013 2.690 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.464 -15.456 1.816 1.00 0.73 H new ATOM 0 HD1 HIS A 48 6.060 -15.472 1.219 1.00 1.87 H new ATOM 0 HD2 HIS A 48 6.777 -13.443 4.813 1.00 1.34 H new ATOM 0 HE1 HIS A 48 3.799 -14.647 2.042 1.00 2.04 H new ATOM 743 N LEU A 49 6.858 -17.052 4.335 1.00 0.88 N ATOM 744 CA LEU A 49 6.060 -18.263 4.339 1.00 1.00 C ATOM 745 C LEU A 49 5.895 -18.691 2.876 1.00 0.98 C ATOM 746 O LEU A 49 6.619 -19.561 2.392 1.00 1.02 O ATOM 747 CB LEU A 49 4.700 -18.026 5.004 1.00 1.10 C ATOM 748 CG LEU A 49 4.754 -17.736 6.505 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.356 -17.497 7.053 1.00 2.02 C ATOM 750 CD2 LEU A 49 5.430 -18.883 7.243 1.00 2.44 C ATOM 0 H LEU A 49 6.356 -16.199 4.581 1.00 0.88 H new ATOM 0 HA LEU A 49 6.551 -19.047 4.916 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.210 -17.190 4.505 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.075 -18.904 4.842 1.00 1.10 H new ATOM 0 HG LEU A 49 5.342 -16.831 6.662 1.00 1.62 H new ATOM 0 HD11 LEU A 49 3.414 -17.292 8.122 1.00 2.02 H new ATOM 0 HD12 LEU A 49 2.907 -16.644 6.544 1.00 2.02 H new ATOM 0 HD13 LEU A 49 2.743 -18.383 6.886 1.00 2.02 H new ATOM 0 HD21 LEU A 49 5.461 -18.661 8.310 1.00 2.44 H new ATOM 0 HD22 LEU A 49 4.868 -19.802 7.079 1.00 2.44 H new ATOM 0 HD23 LEU A 49 6.446 -19.008 6.869 1.00 2.44 H new ATOM 762 N LEU A 50 4.936 -18.075 2.176 1.00 0.98 N ATOM 763 CA LEU A 50 4.723 -18.337 0.750 1.00 1.01 C ATOM 764 C LEU A 50 5.676 -17.462 -0.069 1.00 0.92 C ATOM 765 O LEU A 50 5.253 -16.702 -0.939 1.00 1.01 O ATOM 766 CB LEU A 50 3.274 -18.047 0.358 1.00 1.11 C ATOM 767 CG LEU A 50 2.919 -18.390 -1.090 1.00 1.60 C ATOM 768 CD1 LEU A 50 3.067 -19.884 -1.334 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.506 -17.931 -1.415 1.00 2.25 C ATOM 0 H LEU A 50 4.294 -17.390 2.576 1.00 0.98 H new ATOM 0 HA LEU A 50 4.924 -19.389 0.547 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.614 -18.607 1.021 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.072 -16.989 0.526 1.00 1.11 H new ATOM 0 HG LEU A 50 3.610 -17.864 -1.749 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.811 -20.111 -2.369 1.00 1.97 H new ATOM 0 HD12 LEU A 50 4.097 -20.184 -1.141 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.399 -20.429 -0.667 1.00 1.97 H new ATOM 0 HD21 LEU A 50 1.270 -18.183 -2.449 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.800 -18.429 -0.750 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.434 -16.852 -1.279 1.00 2.25 H new ATOM 781 N LYS A 51 6.962 -17.585 0.225 1.00 0.85 N ATOM 782 CA LYS A 51 8.003 -16.790 -0.411 1.00 0.81 C ATOM 783 C LYS A 51 8.164 -17.048 -1.905 1.00 0.88 C ATOM 784 O LYS A 51 7.803 -18.104 -2.423 1.00 1.03 O ATOM 785 CB LYS A 51 9.326 -17.086 0.272 1.00 0.97 C ATOM 786 CG LYS A 51 10.385 -16.032 0.031 1.00 1.23 C ATOM 787 CD LYS A 51 11.756 -16.668 -0.171 1.00 2.11 C ATOM 788 CE LYS A 51 12.107 -17.626 0.962 1.00 2.68 C ATOM 789 NZ LYS A 51 12.607 -18.935 0.458 1.00 3.58 N ATOM 0 H LYS A 51 7.316 -18.245 0.918 1.00 0.85 H new ATOM 0 HA LYS A 51 7.703 -15.748 -0.304 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.158 -17.180 1.345 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.698 -18.049 -0.078 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.122 -15.441 -0.847 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.420 -15.347 0.878 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.772 -17.205 -1.119 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.514 -15.887 -0.235 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.865 -17.170 1.599 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.226 -17.790 1.583 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 12.656 -19.614 1.244 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 11.960 -19.296 -0.272 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 13.555 -18.810 0.049 1.00 3.58 H new ATOM 803 N ASP A 52 8.715 -16.041 -2.577 1.00 0.92 N ATOM 804 CA ASP A 52 9.006 -16.100 -4.001 1.00 1.17 C ATOM 805 C ASP A 52 10.495 -16.389 -4.243 1.00 1.23 C ATOM 806 O ASP A 52 10.873 -16.794 -5.342 1.00 1.47 O ATOM 807 CB ASP A 52 8.616 -14.783 -4.677 1.00 1.29 C ATOM 808 CG ASP A 52 8.954 -14.768 -6.155 1.00 1.87 C ATOM 809 OD1 ASP A 52 8.130 -15.256 -6.957 1.00 2.35 O ATOM 810 OD2 ASP A 52 10.040 -14.266 -6.511 1.00 2.61 O ATOM 0 H ASP A 52 8.973 -15.155 -2.142 1.00 0.92 H new ATOM 0 HA ASP A 52 8.420 -16.911 -4.433 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.546 -14.616 -4.550 1.00 1.29 H new ATOM 0 HB3 ASP A 52 9.128 -13.958 -4.182 1.00 1.29 H new ATOM 815 N VAL A 53 11.340 -16.156 -3.222 1.00 1.13 N ATOM 816 CA VAL A 53 12.768 -16.409 -3.327 1.00 1.26 C ATOM 817 C VAL A 53 13.433 -15.427 -4.282 1.00 1.24 C ATOM 818 O VAL A 53 13.728 -15.753 -5.433 1.00 1.48 O ATOM 819 CB VAL A 53 13.030 -17.854 -3.778 1.00 1.57 C ATOM 820 CG1 VAL A 53 14.515 -18.106 -4.011 1.00 2.17 C ATOM 821 CG2 VAL A 53 12.474 -18.838 -2.761 1.00 1.91 C ATOM 0 H VAL A 53 11.046 -15.791 -2.316 1.00 1.13 H new ATOM 0 HA VAL A 53 13.205 -16.267 -2.338 1.00 1.26 H new ATOM 0 HB VAL A 53 12.516 -18.004 -4.728 1.00 1.57 H new ATOM 0 HG11 VAL A 53 14.663 -19.138 -4.329 1.00 2.17 H new ATOM 0 HG12 VAL A 53 14.881 -17.432 -4.785 1.00 2.17 H new ATOM 0 HG13 VAL A 53 15.064 -17.929 -3.086 1.00 2.17 H new ATOM 0 HG21 VAL A 53 12.668 -19.857 -3.096 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.955 -18.675 -1.797 1.00 1.91 H new ATOM 0 HG23 VAL A 53 11.399 -18.688 -2.660 1.00 1.91 H new ATOM 831 N GLY A 54 13.654 -14.215 -3.787 1.00 1.06 N ATOM 832 CA GLY A 54 14.286 -13.179 -4.577 1.00 1.11 C ATOM 833 C GLY A 54 15.499 -13.666 -5.338 1.00 1.14 C ATOM 834 O GLY A 54 16.364 -14.343 -4.783 1.00 1.24 O ATOM 0 H GLY A 54 13.403 -13.931 -2.840 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.560 -12.776 -5.283 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.581 -12.360 -3.921 1.00 1.11 H new ATOM 838 N SER A 55 15.559 -13.315 -6.614 1.00 1.18 N ATOM 839 CA SER A 55 16.680 -13.700 -7.459 1.00 1.25 C ATOM 840 C SER A 55 17.861 -12.767 -7.214 1.00 1.11 C ATOM 841 O SER A 55 17.696 -11.548 -7.167 1.00 1.10 O ATOM 842 CB SER A 55 16.268 -13.662 -8.931 1.00 1.41 C ATOM 843 OG SER A 55 17.209 -14.340 -9.744 1.00 1.61 O ATOM 0 H SER A 55 14.844 -12.763 -7.088 1.00 1.18 H new ATOM 0 HA SER A 55 16.979 -14.718 -7.209 1.00 1.25 H new ATOM 0 HB2 SER A 55 15.286 -14.120 -9.048 1.00 1.41 H new ATOM 0 HB3 SER A 55 16.179 -12.627 -9.260 1.00 1.41 H new ATOM 0 HG SER A 55 16.920 -14.302 -10.680 1.00 1.61 H new ATOM 849 N LEU A 56 19.052 -13.343 -7.061 1.00 1.15 N ATOM 850 CA LEU A 56 20.264 -12.562 -6.805 1.00 1.10 C ATOM 851 C LEU A 56 20.310 -11.286 -7.647 1.00 0.98 C ATOM 852 O LEU A 56 20.540 -10.198 -7.122 1.00 0.97 O ATOM 853 CB LEU A 56 21.515 -13.409 -7.060 1.00 1.28 C ATOM 854 CG LEU A 56 21.739 -13.847 -8.510 1.00 2.03 C ATOM 855 CD1 LEU A 56 23.087 -14.537 -8.650 1.00 2.61 C ATOM 856 CD2 LEU A 56 20.622 -14.769 -8.977 1.00 2.83 C ATOM 0 H LEU A 56 19.205 -14.350 -7.110 1.00 1.15 H new ATOM 0 HA LEU A 56 20.242 -12.266 -5.756 1.00 1.10 H new ATOM 0 HB2 LEU A 56 22.387 -12.843 -6.732 1.00 1.28 H new ATOM 0 HB3 LEU A 56 21.461 -14.301 -6.435 1.00 1.28 H new ATOM 0 HG LEU A 56 21.732 -12.958 -9.140 1.00 2.03 H new ATOM 0 HD11 LEU A 56 23.233 -14.843 -9.686 1.00 2.61 H new ATOM 0 HD12 LEU A 56 23.880 -13.848 -8.360 1.00 2.61 H new ATOM 0 HD13 LEU A 56 23.115 -15.415 -8.005 1.00 2.61 H new ATOM 0 HD21 LEU A 56 20.804 -15.066 -10.010 1.00 2.83 H new ATOM 0 HD22 LEU A 56 20.593 -15.656 -8.344 1.00 2.83 H new ATOM 0 HD23 LEU A 56 19.668 -14.246 -8.912 1.00 2.83 H new ATOM 868 N ASP A 57 20.091 -11.422 -8.951 1.00 1.00 N ATOM 869 CA ASP A 57 20.100 -10.269 -9.840 1.00 1.01 C ATOM 870 C ASP A 57 18.898 -9.385 -9.578 1.00 0.95 C ATOM 871 O ASP A 57 19.017 -8.166 -9.483 1.00 0.96 O ATOM 872 CB ASP A 57 20.069 -10.699 -11.296 1.00 1.15 C ATOM 873 CG ASP A 57 21.453 -10.896 -11.881 1.00 1.69 C ATOM 874 OD1 ASP A 57 22.051 -9.899 -12.338 1.00 2.20 O ATOM 875 OD2 ASP A 57 21.938 -12.046 -11.883 1.00 2.48 O ATOM 0 H ASP A 57 19.906 -12.313 -9.412 1.00 1.00 H new ATOM 0 HA ASP A 57 21.020 -9.718 -9.643 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.507 -11.629 -11.383 1.00 1.15 H new ATOM 0 HB3 ASP A 57 19.536 -9.949 -11.880 1.00 1.15 H new ATOM 880 N GLU A 58 17.736 -10.018 -9.463 1.00 0.94 N ATOM 881 CA GLU A 58 16.491 -9.305 -9.212 1.00 0.95 C ATOM 882 C GLU A 58 16.684 -8.350 -8.055 1.00 0.87 C ATOM 883 O GLU A 58 16.173 -7.231 -8.052 1.00 0.90 O ATOM 884 CB GLU A 58 15.369 -10.294 -8.887 1.00 0.98 C ATOM 885 CG GLU A 58 14.028 -9.630 -8.627 1.00 1.43 C ATOM 886 CD GLU A 58 12.955 -10.626 -8.235 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.323 -11.206 -9.143 1.00 2.42 O ATOM 888 OE2 GLU A 58 12.746 -10.828 -7.020 1.00 2.29 O ATOM 0 H GLU A 58 17.631 -11.030 -9.540 1.00 0.94 H new ATOM 0 HA GLU A 58 16.214 -8.745 -10.105 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.263 -10.995 -9.715 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.652 -10.876 -8.010 1.00 0.98 H new ATOM 0 HG2 GLU A 58 14.140 -8.890 -7.834 1.00 1.43 H new ATOM 0 HG3 GLU A 58 13.712 -9.093 -9.522 1.00 1.43 H new ATOM 895 N LYS A 59 17.448 -8.815 -7.081 1.00 0.81 N ATOM 896 CA LYS A 59 17.748 -8.031 -5.908 1.00 0.76 C ATOM 897 C LYS A 59 18.652 -6.858 -6.252 1.00 0.80 C ATOM 898 O LYS A 59 18.619 -5.828 -5.585 1.00 0.79 O ATOM 899 CB LYS A 59 18.374 -8.921 -4.837 1.00 0.75 C ATOM 900 CG LYS A 59 17.398 -9.952 -4.287 1.00 0.75 C ATOM 901 CD LYS A 59 18.025 -11.335 -4.194 1.00 1.14 C ATOM 902 CE LYS A 59 19.065 -11.413 -3.091 1.00 1.95 C ATOM 903 NZ LYS A 59 19.653 -12.777 -2.984 1.00 2.67 N ATOM 0 H LYS A 59 17.873 -9.742 -7.086 1.00 0.81 H new ATOM 0 HA LYS A 59 16.820 -7.617 -5.514 1.00 0.76 H new ATOM 0 HB2 LYS A 59 19.240 -9.434 -5.257 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.738 -8.298 -4.020 1.00 0.75 H new ATOM 0 HG2 LYS A 59 17.059 -9.640 -3.299 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.517 -9.995 -4.927 1.00 0.75 H new ATOM 0 HD2 LYS A 59 17.246 -12.075 -4.011 1.00 1.14 H new ATOM 0 HD3 LYS A 59 18.488 -11.588 -5.148 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.857 -10.690 -3.286 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.608 -11.138 -2.140 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.041 -12.914 -2.029 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 18.916 -13.488 -3.164 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 20.414 -12.883 -3.685 1.00 2.67 H new ATOM 917 N MET A 60 19.462 -7.026 -7.291 1.00 0.86 N ATOM 918 CA MET A 60 20.367 -5.982 -7.738 1.00 0.92 C ATOM 919 C MET A 60 19.656 -4.965 -8.629 1.00 0.96 C ATOM 920 O MET A 60 19.920 -3.765 -8.551 1.00 1.01 O ATOM 921 CB MET A 60 21.554 -6.594 -8.483 1.00 1.00 C ATOM 922 CG MET A 60 22.397 -7.519 -7.620 1.00 1.00 C ATOM 923 SD MET A 60 23.189 -6.657 -6.249 1.00 1.73 S ATOM 924 CE MET A 60 24.028 -8.014 -5.433 1.00 2.31 C ATOM 0 H MET A 60 19.508 -7.884 -7.841 1.00 0.86 H new ATOM 0 HA MET A 60 20.729 -5.457 -6.854 1.00 0.92 H new ATOM 0 HB2 MET A 60 21.185 -7.150 -9.345 1.00 1.00 H new ATOM 0 HB3 MET A 60 22.185 -5.792 -8.867 1.00 1.00 H new ATOM 0 HG2 MET A 60 21.767 -8.317 -7.227 1.00 1.00 H new ATOM 0 HG3 MET A 60 23.161 -7.990 -8.238 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.565 -7.639 -4.562 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.296 -8.756 -5.116 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.734 -8.474 -6.124 1.00 2.31 H new ATOM 934 N LYS A 61 18.754 -5.452 -9.474 1.00 0.97 N ATOM 935 CA LYS A 61 18.012 -4.581 -10.388 1.00 1.02 C ATOM 936 C LYS A 61 17.001 -3.753 -9.625 1.00 0.96 C ATOM 937 O LYS A 61 16.931 -2.533 -9.771 1.00 0.92 O ATOM 938 CB LYS A 61 17.256 -5.386 -11.456 1.00 1.08 C ATOM 939 CG LYS A 61 17.770 -6.797 -11.680 1.00 1.55 C ATOM 940 CD LYS A 61 17.163 -7.422 -12.925 1.00 2.07 C ATOM 941 CE LYS A 61 17.637 -8.853 -13.115 1.00 2.59 C ATOM 942 NZ LYS A 61 17.007 -9.494 -14.302 1.00 3.16 N ATOM 0 H LYS A 61 18.517 -6.441 -9.548 1.00 0.97 H new ATOM 0 HA LYS A 61 18.746 -3.939 -10.875 1.00 1.02 H new ATOM 0 HB2 LYS A 61 16.205 -5.439 -11.173 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.305 -4.844 -12.400 1.00 1.08 H new ATOM 0 HG2 LYS A 61 18.856 -6.779 -11.774 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.535 -7.413 -10.812 1.00 1.55 H new ATOM 0 HD2 LYS A 61 16.076 -7.404 -12.850 1.00 2.07 H new ATOM 0 HD3 LYS A 61 17.432 -6.829 -13.799 1.00 2.07 H new ATOM 0 HE2 LYS A 61 18.721 -8.864 -13.229 1.00 2.59 H new ATOM 0 HE3 LYS A 61 17.404 -9.434 -12.223 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 17.357 -10.469 -14.397 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 15.974 -9.507 -14.182 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 17.250 -8.955 -15.157 1.00 3.16 H new ATOM 956 N THR A 62 16.219 -4.438 -8.812 1.00 0.98 N ATOM 957 CA THR A 62 15.179 -3.803 -8.034 1.00 0.96 C ATOM 958 C THR A 62 15.673 -2.546 -7.327 1.00 0.86 C ATOM 959 O THR A 62 14.881 -1.658 -7.013 1.00 0.84 O ATOM 960 CB THR A 62 14.583 -4.777 -7.010 1.00 1.02 C ATOM 961 OG1 THR A 62 14.063 -5.929 -7.691 1.00 1.12 O ATOM 962 CG2 THR A 62 13.475 -4.112 -6.213 1.00 1.05 C ATOM 0 H THR A 62 16.288 -5.446 -8.674 1.00 0.98 H new ATOM 0 HA THR A 62 14.402 -3.507 -8.738 1.00 0.96 H new ATOM 0 HB THR A 62 15.370 -5.080 -6.320 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.805 -6.496 -7.987 1.00 1.12 H new ATOM 0 HG21 THR A 62 13.068 -4.822 -5.493 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.876 -3.248 -5.683 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.684 -3.788 -6.890 1.00 1.05 H new ATOM 970 N LEU A 63 16.980 -2.464 -7.076 1.00 0.86 N ATOM 971 CA LEU A 63 17.542 -1.284 -6.424 1.00 0.84 C ATOM 972 C LEU A 63 17.070 -0.027 -7.135 1.00 0.80 C ATOM 973 O LEU A 63 16.181 0.679 -6.660 1.00 0.89 O ATOM 974 CB LEU A 63 19.069 -1.318 -6.434 1.00 0.95 C ATOM 975 CG LEU A 63 19.718 -2.082 -5.283 1.00 0.92 C ATOM 976 CD1 LEU A 63 19.939 -3.528 -5.674 1.00 1.05 C ATOM 977 CD2 LEU A 63 21.033 -1.430 -4.887 1.00 1.40 C ATOM 0 H LEU A 63 17.659 -3.188 -7.310 1.00 0.86 H new ATOM 0 HA LEU A 63 17.200 -1.281 -5.389 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.399 -1.762 -7.373 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.438 -0.292 -6.420 1.00 0.95 H new ATOM 0 HG LEU A 63 19.048 -2.053 -4.423 1.00 0.92 H new ATOM 0 HD11 LEU A 63 20.402 -4.062 -4.845 1.00 1.05 H new ATOM 0 HD12 LEU A 63 18.982 -3.990 -5.914 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.592 -3.574 -6.545 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.482 -1.987 -4.065 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.711 -1.432 -5.740 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.849 -0.403 -4.571 1.00 1.40 H new ATOM 989 N ASP A 64 17.661 0.235 -8.294 1.00 0.79 N ATOM 990 CA ASP A 64 17.287 1.403 -9.080 1.00 0.82 C ATOM 991 C ASP A 64 15.778 1.426 -9.295 1.00 0.82 C ATOM 992 O ASP A 64 15.162 2.492 -9.329 1.00 0.89 O ATOM 993 CB ASP A 64 18.013 1.411 -10.422 1.00 0.91 C ATOM 994 CG ASP A 64 19.520 1.346 -10.269 1.00 1.35 C ATOM 995 OD1 ASP A 64 20.146 2.414 -10.105 1.00 1.99 O ATOM 996 OD2 ASP A 64 20.074 0.228 -10.313 1.00 2.05 O ATOM 0 H ASP A 64 18.395 -0.340 -8.708 1.00 0.79 H new ATOM 0 HA ASP A 64 17.581 2.297 -8.530 1.00 0.82 H new ATOM 0 HB2 ASP A 64 17.675 0.564 -11.019 1.00 0.91 H new ATOM 0 HB3 ASP A 64 17.746 2.314 -10.970 1.00 0.91 H new ATOM 1001 N VAL A 65 15.184 0.240 -9.443 1.00 0.82 N ATOM 1002 CA VAL A 65 13.743 0.141 -9.624 1.00 0.87 C ATOM 1003 C VAL A 65 13.044 0.815 -8.450 1.00 0.77 C ATOM 1004 O VAL A 65 12.530 1.927 -8.584 1.00 0.82 O ATOM 1005 CB VAL A 65 13.272 -1.325 -9.749 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.763 -1.386 -9.929 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.978 -2.010 -10.909 1.00 1.07 C ATOM 0 H VAL A 65 15.676 -0.653 -9.441 1.00 0.82 H new ATOM 0 HA VAL A 65 13.484 0.643 -10.556 1.00 0.87 H new ATOM 0 HB VAL A 65 13.528 -1.852 -8.830 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.449 -2.426 -10.015 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.275 -0.930 -9.068 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.482 -0.846 -10.833 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.636 -3.042 -10.985 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.750 -1.483 -11.836 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.055 -1.996 -10.739 1.00 1.07 H new ATOM 1017 N ASN A 66 13.023 0.144 -7.297 1.00 0.72 N ATOM 1018 CA ASN A 66 12.428 0.722 -6.092 1.00 0.68 C ATOM 1019 C ASN A 66 13.432 1.619 -5.373 1.00 0.57 C ATOM 1020 O ASN A 66 13.515 1.608 -4.146 1.00 0.57 O ATOM 1021 CB ASN A 66 11.952 -0.359 -5.126 1.00 0.82 C ATOM 1022 CG ASN A 66 11.306 -1.540 -5.825 1.00 0.81 C ATOM 1023 OD1 ASN A 66 11.399 -2.675 -5.359 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.637 -1.279 -6.943 1.00 1.10 N ATOM 0 H ASN A 66 13.408 -0.792 -7.173 1.00 0.72 H new ATOM 0 HA ASN A 66 11.569 1.311 -6.412 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.800 -0.712 -4.539 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.238 0.076 -4.426 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.176 -2.035 -7.449 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.585 -0.323 -7.295 1.00 1.10 H new ATOM 1031 N GLN A 67 14.183 2.409 -6.129 1.00 0.62 N ATOM 1032 CA GLN A 67 15.179 3.292 -5.563 1.00 0.68 C ATOM 1033 C GLN A 67 14.498 4.179 -4.548 1.00 0.61 C ATOM 1034 O GLN A 67 14.881 4.239 -3.380 1.00 0.66 O ATOM 1035 CB GLN A 67 15.815 4.077 -6.715 1.00 0.88 C ATOM 1036 CG GLN A 67 16.392 5.431 -6.369 1.00 0.74 C ATOM 1037 CD GLN A 67 15.365 6.496 -6.103 1.00 1.15 C ATOM 1038 OE1 GLN A 67 15.510 7.299 -5.181 1.00 1.97 O ATOM 1039 NE2 GLN A 67 14.339 6.537 -6.936 1.00 1.36 N ATOM 0 H GLN A 67 14.115 2.452 -7.146 1.00 0.62 H new ATOM 0 HA GLN A 67 15.974 2.755 -5.046 1.00 0.68 H new ATOM 0 HB2 GLN A 67 16.609 3.467 -7.146 1.00 0.88 H new ATOM 0 HB3 GLN A 67 15.062 4.215 -7.491 1.00 0.88 H new ATOM 0 HG2 GLN A 67 17.026 5.328 -5.489 1.00 0.74 H new ATOM 0 HG3 GLN A 67 17.033 5.759 -7.187 1.00 0.74 H new ATOM 0 HE21 GLN A 67 14.263 5.849 -7.685 1.00 1.36 H new ATOM 0 HE22 GLN A 67 13.624 7.257 -6.829 1.00 1.36 H new ATOM 1048 N ASP A 68 13.481 4.866 -5.020 1.00 0.59 N ATOM 1049 CA ASP A 68 12.667 5.718 -4.165 1.00 0.62 C ATOM 1050 C ASP A 68 11.542 4.907 -3.518 1.00 0.59 C ATOM 1051 O ASP A 68 10.445 5.423 -3.321 1.00 0.66 O ATOM 1052 CB ASP A 68 12.080 6.899 -4.937 1.00 0.74 C ATOM 1053 CG ASP A 68 12.882 8.173 -4.761 1.00 1.00 C ATOM 1054 OD1 ASP A 68 12.838 8.747 -3.657 1.00 1.62 O ATOM 1055 OD2 ASP A 68 13.542 8.601 -5.730 1.00 1.51 O ATOM 0 H ASP A 68 13.192 4.854 -5.998 1.00 0.59 H new ATOM 0 HA ASP A 68 13.318 6.116 -3.387 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.034 6.648 -5.997 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.056 7.071 -4.605 1.00 0.74 H new ATOM 1060 N SER A 69 11.810 3.646 -3.153 1.00 0.56 N ATOM 1061 CA SER A 69 10.784 2.797 -2.544 1.00 0.59 C ATOM 1062 C SER A 69 10.111 3.534 -1.404 1.00 0.63 C ATOM 1063 O SER A 69 8.994 3.221 -1.017 1.00 0.75 O ATOM 1064 CB SER A 69 11.388 1.488 -2.041 1.00 0.68 C ATOM 1065 OG SER A 69 10.388 0.635 -1.512 1.00 1.75 O ATOM 0 H SER A 69 12.719 3.197 -3.268 1.00 0.56 H new ATOM 0 HA SER A 69 10.040 2.559 -3.304 1.00 0.59 H new ATOM 0 HB2 SER A 69 11.905 0.985 -2.858 1.00 0.68 H new ATOM 0 HB3 SER A 69 12.133 1.699 -1.274 1.00 0.68 H new ATOM 0 HG SER A 69 10.287 -0.149 -2.091 1.00 1.75 H new ATOM 1071 N GLU A 70 10.824 4.499 -0.864 1.00 0.64 N ATOM 1072 CA GLU A 70 10.308 5.335 0.202 1.00 0.76 C ATOM 1073 C GLU A 70 10.490 6.774 -0.179 1.00 0.78 C ATOM 1074 O GLU A 70 11.295 7.107 -1.046 1.00 0.81 O ATOM 1075 CB GLU A 70 11.040 5.096 1.520 1.00 0.85 C ATOM 1076 CG GLU A 70 11.122 6.337 2.419 1.00 1.33 C ATOM 1077 CD GLU A 70 11.797 6.114 3.736 1.00 2.19 C ATOM 1078 OE1 GLU A 70 12.512 5.101 3.877 1.00 2.88 O ATOM 1079 OE2 GLU A 70 11.637 6.977 4.622 1.00 2.72 O ATOM 0 H GLU A 70 11.776 4.727 -1.150 1.00 0.64 H new ATOM 0 HA GLU A 70 9.256 5.086 0.341 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.536 4.297 2.065 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.050 4.747 1.305 1.00 0.85 H new ATOM 0 HG2 GLU A 70 11.654 7.123 1.882 1.00 1.33 H new ATOM 0 HG3 GLU A 70 10.112 6.703 2.602 1.00 1.33 H new ATOM 1086 N LEU A 71 9.731 7.624 0.467 1.00 0.79 N ATOM 1087 CA LEU A 71 9.853 8.996 0.224 1.00 0.83 C ATOM 1088 C LEU A 71 9.616 9.872 1.453 1.00 0.81 C ATOM 1089 O LEU A 71 8.739 9.609 2.263 1.00 0.86 O ATOM 1090 CB LEU A 71 8.876 9.314 -0.864 1.00 0.99 C ATOM 1091 CG LEU A 71 8.712 10.754 -1.177 1.00 0.79 C ATOM 1092 CD1 LEU A 71 7.866 11.498 -0.152 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.075 11.348 -1.399 1.00 1.26 C ATOM 0 H LEU A 71 9.029 7.367 1.161 1.00 0.79 H new ATOM 0 HA LEU A 71 10.880 9.220 -0.064 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.189 8.797 -1.771 1.00 0.99 H new ATOM 0 HB3 LEU A 71 7.904 8.908 -0.585 1.00 0.99 H new ATOM 0 HG LEU A 71 8.136 10.863 -2.096 1.00 0.79 H new ATOM 0 HD11 LEU A 71 7.785 12.546 -0.439 1.00 1.89 H new ATOM 0 HD12 LEU A 71 6.871 11.055 -0.111 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.336 11.426 0.829 1.00 1.89 H new ATOM 0 HD21 LEU A 71 9.976 12.408 -1.631 1.00 1.26 H new ATOM 0 HD22 LEU A 71 10.675 11.228 -0.497 1.00 1.26 H new ATOM 0 HD23 LEU A 71 10.563 10.839 -2.230 1.00 1.26 H new ATOM 1105 N ARG A 72 10.454 10.885 1.597 1.00 0.77 N ATOM 1106 CA ARG A 72 10.293 11.905 2.619 1.00 0.79 C ATOM 1107 C ARG A 72 9.870 13.200 1.904 1.00 0.68 C ATOM 1108 O ARG A 72 9.129 14.012 2.451 1.00 0.75 O ATOM 1109 CB ARG A 72 11.592 12.142 3.401 1.00 0.91 C ATOM 1110 CG ARG A 72 12.479 10.923 3.516 1.00 1.00 C ATOM 1111 CD ARG A 72 11.723 9.725 4.039 1.00 1.06 C ATOM 1112 NE ARG A 72 10.857 10.068 5.162 1.00 1.30 N ATOM 1113 CZ ARG A 72 9.799 9.350 5.521 1.00 1.18 C ATOM 1114 NH1 ARG A 72 9.480 8.254 4.848 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.059 9.725 6.556 1.00 1.42 N ATOM 0 H ARG A 72 11.272 11.023 1.003 1.00 0.77 H new ATOM 0 HA ARG A 72 9.544 11.582 3.342 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.153 12.941 2.917 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.341 12.490 4.403 1.00 0.91 H new ATOM 0 HG2 ARG A 72 12.901 10.688 2.539 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.315 11.143 4.180 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.122 9.298 3.236 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.432 8.957 4.350 1.00 1.06 H new ATOM 0 HE ARG A 72 11.076 10.906 5.701 1.00 1.30 H new ATOM 0 HH11 ARG A 72 10.047 7.961 4.053 1.00 1.56 H new ATOM 0 HH12 ARG A 72 8.667 7.704 5.125 1.00 1.56 H new ATOM 0 HH21 ARG A 72 9.302 10.567 7.078 1.00 1.42 H new ATOM 0 HH22 ARG A 72 8.247 9.172 6.829 1.00 1.42 H new ATOM 1129 N PHE A 73 10.328 13.345 0.640 1.00 0.60 N ATOM 1130 CA PHE A 73 10.008 14.511 -0.201 1.00 0.57 C ATOM 1131 C PHE A 73 8.805 14.260 -1.183 1.00 0.51 C ATOM 1132 O PHE A 73 7.682 14.190 -0.720 1.00 0.63 O ATOM 1133 CB PHE A 73 11.303 15.051 -0.883 1.00 0.64 C ATOM 1134 CG PHE A 73 11.894 14.286 -2.057 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.291 12.962 -1.951 1.00 1.36 C ATOM 1136 CD2 PHE A 73 12.055 14.915 -3.282 1.00 1.24 C ATOM 1137 CE1 PHE A 73 12.817 12.279 -3.015 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.591 14.237 -4.361 1.00 1.31 C ATOM 1139 CZ PHE A 73 12.971 12.914 -4.229 1.00 0.86 C ATOM 0 H PHE A 73 10.926 12.659 0.180 1.00 0.60 H new ATOM 0 HA PHE A 73 9.636 15.307 0.444 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.097 16.066 -1.222 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.074 15.122 -0.115 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.182 12.455 -1.003 1.00 1.36 H new ATOM 0 HD2 PHE A 73 11.758 15.947 -3.395 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.110 11.246 -2.903 1.00 1.44 H new ATOM 0 HE2 PHE A 73 12.713 14.741 -5.308 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.386 12.381 -5.072 1.00 0.86 H new ATOM 1149 N SER A 74 8.997 14.052 -2.503 1.00 0.48 N ATOM 1150 CA SER A 74 7.838 13.887 -3.412 1.00 0.46 C ATOM 1151 C SER A 74 7.729 12.518 -4.036 1.00 0.42 C ATOM 1152 O SER A 74 6.688 12.165 -4.589 1.00 0.47 O ATOM 1153 CB SER A 74 7.866 14.922 -4.532 1.00 0.60 C ATOM 1154 OG SER A 74 9.198 15.259 -4.885 1.00 1.01 O ATOM 0 H SER A 74 9.910 13.995 -2.954 1.00 0.48 H new ATOM 0 HA SER A 74 6.967 14.028 -2.772 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.343 14.531 -5.405 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.333 15.819 -4.216 1.00 0.60 H new ATOM 0 HG SER A 74 9.187 15.923 -5.606 1.00 1.01 H new ATOM 1160 N GLU A 75 8.774 11.750 -3.955 1.00 0.43 N ATOM 1161 CA GLU A 75 8.764 10.400 -4.520 1.00 0.42 C ATOM 1162 C GLU A 75 7.820 9.405 -3.786 1.00 0.42 C ATOM 1163 O GLU A 75 8.034 8.196 -3.867 1.00 0.55 O ATOM 1164 CB GLU A 75 10.183 9.838 -4.508 1.00 0.44 C ATOM 1165 CG GLU A 75 11.210 10.750 -5.159 1.00 0.60 C ATOM 1166 CD GLU A 75 11.255 10.603 -6.667 1.00 0.93 C ATOM 1167 OE1 GLU A 75 11.408 9.462 -7.149 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.141 11.633 -7.365 1.00 1.42 O ATOM 0 H GLU A 75 9.651 12.018 -3.508 1.00 0.43 H new ATOM 0 HA GLU A 75 8.378 10.500 -5.534 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.480 9.650 -3.476 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.187 8.877 -5.022 1.00 0.44 H new ATOM 0 HG2 GLU A 75 10.982 11.785 -4.906 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.196 10.531 -4.748 1.00 0.60 H new ATOM 1175 N TYR A 76 6.779 9.896 -3.079 1.00 0.38 N ATOM 1176 CA TYR A 76 5.876 9.013 -2.355 1.00 0.38 C ATOM 1177 C TYR A 76 5.105 8.166 -3.331 1.00 0.39 C ATOM 1178 O TYR A 76 4.554 7.123 -2.983 1.00 0.43 O ATOM 1179 CB TYR A 76 4.915 9.786 -1.445 1.00 0.40 C ATOM 1180 CG TYR A 76 5.307 9.769 -0.002 1.00 0.41 C ATOM 1181 CD1 TYR A 76 5.873 8.649 0.556 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.168 10.898 0.782 1.00 1.29 C ATOM 1183 CE1 TYR A 76 6.293 8.627 1.849 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.592 10.900 2.092 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.158 9.761 2.627 1.00 0.49 C ATOM 1186 OH TYR A 76 6.583 9.753 3.936 1.00 0.55 O ATOM 0 H TYR A 76 6.556 10.888 -3.002 1.00 0.38 H new ATOM 0 HA TYR A 76 6.481 8.374 -1.711 1.00 0.38 H new ATOM 0 HB2 TYR A 76 4.860 10.820 -1.785 1.00 0.40 H new ATOM 0 HB3 TYR A 76 3.915 9.364 -1.545 1.00 0.40 H new ATOM 0 HD1 TYR A 76 5.988 7.762 -0.049 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.722 11.788 0.363 1.00 1.29 H new ATOM 0 HE1 TYR A 76 6.729 7.730 2.265 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.482 11.788 2.697 1.00 1.30 H new ATOM 0 HH TYR A 76 7.561 9.696 3.962 1.00 0.55 H new ATOM 1196 N TRP A 77 5.088 8.620 -4.572 1.00 0.39 N ATOM 1197 CA TRP A 77 4.413 7.884 -5.622 1.00 0.43 C ATOM 1198 C TRP A 77 5.095 6.532 -5.836 1.00 0.45 C ATOM 1199 O TRP A 77 4.555 5.669 -6.524 1.00 0.49 O ATOM 1200 CB TRP A 77 4.439 8.672 -6.929 1.00 0.44 C ATOM 1201 CG TRP A 77 5.826 8.844 -7.449 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.644 7.858 -7.911 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.570 10.060 -7.538 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.855 8.383 -8.273 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.833 9.738 -8.062 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.289 11.390 -7.228 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.815 10.701 -8.279 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.259 12.345 -7.442 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.511 11.998 -7.964 1.00 0.55 C ATOM 0 H TRP A 77 5.531 9.488 -4.874 1.00 0.39 H new ATOM 0 HA TRP A 77 3.378 7.728 -5.319 1.00 0.43 H new ATOM 0 HB2 TRP A 77 3.833 8.157 -7.675 1.00 0.44 H new ATOM 0 HB3 TRP A 77 3.987 9.651 -6.771 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.376 6.814 -7.981 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.645 7.853 -8.640 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.326 11.668 -6.826 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.781 10.434 -8.681 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 7.050 13.377 -7.203 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.251 12.769 -8.121 1.00 0.55 H new ATOM 1220 N ARG A 78 6.291 6.345 -5.253 1.00 0.43 N ATOM 1221 CA ARG A 78 7.015 5.094 -5.423 1.00 0.47 C ATOM 1222 C ARG A 78 6.468 4.078 -4.447 1.00 0.49 C ATOM 1223 O ARG A 78 6.219 2.923 -4.791 1.00 0.61 O ATOM 1224 CB ARG A 78 8.504 5.329 -5.219 1.00 0.50 C ATOM 1225 CG ARG A 78 9.156 6.017 -6.402 1.00 0.60 C ATOM 1226 CD ARG A 78 9.465 5.046 -7.528 1.00 0.77 C ATOM 1227 NE ARG A 78 8.260 4.601 -8.223 1.00 1.48 N ATOM 1228 CZ ARG A 78 8.165 3.445 -8.877 1.00 1.75 C ATOM 1229 NH1 ARG A 78 9.207 2.625 -8.947 1.00 1.37 N ATOM 1230 NH2 ARG A 78 7.027 3.110 -9.471 1.00 2.82 N ATOM 0 H ARG A 78 6.763 7.037 -4.671 1.00 0.43 H new ATOM 0 HA ARG A 78 6.880 4.709 -6.434 1.00 0.47 H new ATOM 0 HB2 ARG A 78 8.653 5.934 -4.325 1.00 0.50 H new ATOM 0 HB3 ARG A 78 8.998 4.373 -5.043 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.497 6.803 -6.772 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.078 6.500 -6.077 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.138 5.522 -8.241 1.00 0.77 H new ATOM 0 HD3 ARG A 78 9.990 4.180 -7.124 1.00 0.77 H new ATOM 0 HE ARG A 78 7.443 5.212 -8.206 1.00 1.48 H new ATOM 0 HH11 ARG A 78 10.087 2.879 -8.498 1.00 1.37 H new ATOM 0 HH12 ARG A 78 9.127 1.741 -9.450 1.00 1.37 H new ATOM 0 HH21 ARG A 78 6.225 3.738 -9.427 1.00 2.82 H new ATOM 0 HH22 ARG A 78 6.955 2.224 -9.972 1.00 2.82 H new ATOM 1244 N LEU A 79 6.276 4.544 -3.224 1.00 0.43 N ATOM 1245 CA LEU A 79 5.696 3.757 -2.166 1.00 0.46 C ATOM 1246 C LEU A 79 4.371 3.184 -2.639 1.00 0.47 C ATOM 1247 O LEU A 79 3.890 2.172 -2.128 1.00 0.53 O ATOM 1248 CB LEU A 79 5.465 4.648 -0.950 1.00 0.55 C ATOM 1249 CG LEU A 79 6.730 5.132 -0.244 1.00 0.63 C ATOM 1250 CD1 LEU A 79 7.409 6.243 -1.010 1.00 1.24 C ATOM 1251 CD2 LEU A 79 6.414 5.568 1.181 1.00 0.89 C ATOM 0 H LEU A 79 6.524 5.492 -2.942 1.00 0.43 H new ATOM 0 HA LEU A 79 6.368 2.942 -1.897 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.888 5.518 -1.263 1.00 0.55 H new ATOM 0 HB3 LEU A 79 4.854 4.102 -0.231 1.00 0.55 H new ATOM 0 HG LEU A 79 7.427 4.295 -0.204 1.00 0.63 H new ATOM 0 HD11 LEU A 79 8.304 6.559 -0.475 1.00 1.24 H new ATOM 0 HD12 LEU A 79 7.686 5.885 -2.001 1.00 1.24 H new ATOM 0 HD13 LEU A 79 6.727 7.088 -1.107 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.327 5.910 1.668 1.00 0.89 H new ATOM 0 HD22 LEU A 79 5.688 6.381 1.160 1.00 0.89 H new ATOM 0 HD23 LEU A 79 6.000 4.726 1.736 1.00 0.89 H new ATOM 1263 N ILE A 80 3.784 3.854 -3.628 1.00 0.46 N ATOM 1264 CA ILE A 80 2.529 3.436 -4.203 1.00 0.49 C ATOM 1265 C ILE A 80 2.567 1.945 -4.566 1.00 0.49 C ATOM 1266 O ILE A 80 1.728 1.167 -4.111 1.00 0.51 O ATOM 1267 CB ILE A 80 2.180 4.358 -5.420 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.686 4.686 -5.461 1.00 0.60 C ATOM 1269 CG2 ILE A 80 2.609 3.762 -6.747 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.349 5.847 -6.373 1.00 1.16 C ATOM 0 H ILE A 80 4.173 4.700 -4.046 1.00 0.46 H new ATOM 0 HA ILE A 80 1.729 3.547 -3.471 1.00 0.49 H new ATOM 0 HB ILE A 80 2.745 5.278 -5.270 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.137 3.804 -5.790 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.344 4.916 -4.452 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.342 4.443 -7.555 1.00 0.57 H new ATOM 0 HG22 ILE A 80 3.688 3.607 -6.744 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.105 2.807 -6.897 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.726 6.024 -6.354 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.871 6.741 -6.032 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.660 5.612 -7.391 1.00 1.16 H new ATOM 1282 N GLY A 81 3.543 1.551 -5.377 1.00 0.48 N ATOM 1283 CA GLY A 81 3.679 0.154 -5.743 1.00 0.49 C ATOM 1284 C GLY A 81 4.393 -0.647 -4.670 1.00 0.43 C ATOM 1285 O GLY A 81 4.559 -1.860 -4.797 1.00 0.43 O ATOM 0 H GLY A 81 4.241 2.173 -5.786 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.691 -0.273 -5.918 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.230 0.077 -6.680 1.00 0.49 H new ATOM 1289 N GLU A 82 4.816 0.035 -3.606 1.00 0.41 N ATOM 1290 CA GLU A 82 5.527 -0.617 -2.510 1.00 0.39 C ATOM 1291 C GLU A 82 4.552 -1.272 -1.553 1.00 0.33 C ATOM 1292 O GLU A 82 4.533 -2.491 -1.395 1.00 0.34 O ATOM 1293 CB GLU A 82 6.371 0.395 -1.755 1.00 0.43 C ATOM 1294 CG GLU A 82 7.527 0.959 -2.577 1.00 0.46 C ATOM 1295 CD GLU A 82 8.275 -0.114 -3.345 1.00 0.71 C ATOM 1296 OE1 GLU A 82 8.970 -0.931 -2.704 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.167 -0.137 -4.590 1.00 1.47 O ATOM 0 H GLU A 82 4.678 1.038 -3.481 1.00 0.41 H new ATOM 0 HA GLU A 82 6.174 -1.384 -2.936 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.733 1.216 -1.428 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.770 -0.075 -0.856 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.142 1.700 -3.277 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.221 1.477 -1.914 1.00 0.46 H new ATOM 1304 N LEU A 83 3.743 -0.442 -0.906 1.00 0.34 N ATOM 1305 CA LEU A 83 2.740 -0.931 0.028 1.00 0.35 C ATOM 1306 C LEU A 83 1.931 -2.042 -0.619 1.00 0.35 C ATOM 1307 O LEU A 83 1.373 -2.903 0.060 1.00 0.43 O ATOM 1308 CB LEU A 83 1.812 0.207 0.456 1.00 0.43 C ATOM 1309 CG LEU A 83 2.396 1.184 1.479 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.697 1.789 0.972 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.387 2.275 1.796 1.00 1.31 C ATOM 0 H LEU A 83 3.763 0.572 -1.012 1.00 0.34 H new ATOM 0 HA LEU A 83 3.245 -1.322 0.912 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.521 0.769 -0.432 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.902 -0.226 0.872 1.00 0.43 H new ATOM 0 HG LEU A 83 2.616 0.634 2.394 1.00 0.50 H new ATOM 0 HD11 LEU A 83 4.092 2.480 1.717 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.422 0.995 0.793 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.510 2.326 0.042 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.813 2.964 2.525 1.00 1.31 H new ATOM 0 HD22 LEU A 83 1.140 2.818 0.884 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.483 1.826 2.207 1.00 1.31 H new ATOM 1323 N ALA A 84 1.878 -2.008 -1.945 1.00 0.34 N ATOM 1324 CA ALA A 84 1.150 -3.005 -2.698 1.00 0.37 C ATOM 1325 C ALA A 84 1.871 -4.349 -2.731 1.00 0.41 C ATOM 1326 O ALA A 84 1.229 -5.396 -2.640 1.00 0.48 O ATOM 1327 CB ALA A 84 0.907 -2.515 -4.103 1.00 0.42 C ATOM 0 H ALA A 84 2.334 -1.296 -2.516 1.00 0.34 H new ATOM 0 HA ALA A 84 0.197 -3.161 -2.192 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.358 -3.272 -4.663 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.325 -1.594 -4.072 1.00 0.42 H new ATOM 0 HB3 ALA A 84 1.862 -2.324 -4.592 1.00 0.42 H new ATOM 1333 N LYS A 85 3.207 -4.318 -2.880 1.00 0.42 N ATOM 1334 CA LYS A 85 4.031 -5.546 -2.896 1.00 0.51 C ATOM 1335 C LYS A 85 3.492 -6.518 -1.888 1.00 0.50 C ATOM 1336 O LYS A 85 3.121 -7.634 -2.220 1.00 0.67 O ATOM 1337 CB LYS A 85 5.487 -5.194 -2.586 1.00 0.62 C ATOM 1338 CG LYS A 85 6.017 -4.070 -3.466 1.00 1.18 C ATOM 1339 CD LYS A 85 7.513 -3.855 -3.307 1.00 1.42 C ATOM 1340 CE LYS A 85 7.938 -3.801 -1.845 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.136 -2.831 -1.055 1.00 2.69 N ATOM 0 H LYS A 85 3.742 -3.457 -2.991 1.00 0.42 H new ATOM 0 HA LYS A 85 3.991 -6.006 -3.883 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.571 -4.902 -1.539 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.108 -6.080 -2.721 1.00 0.62 H new ATOM 0 HG2 LYS A 85 5.796 -4.296 -4.509 1.00 1.18 H new ATOM 0 HG3 LYS A 85 5.493 -3.146 -3.222 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.049 -4.661 -3.809 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.799 -2.926 -3.801 1.00 1.42 H new ATOM 0 HE2 LYS A 85 7.839 -4.793 -1.404 1.00 1.55 H new ATOM 0 HE3 LYS A 85 8.992 -3.529 -1.786 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 7.266 -3.018 -0.040 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 7.450 -1.863 -1.272 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 6.130 -2.932 -1.299 1.00 2.69 H new ATOM 1355 N GLU A 86 3.358 -6.028 -0.689 1.00 0.45 N ATOM 1356 CA GLU A 86 2.847 -6.816 0.409 1.00 0.45 C ATOM 1357 C GLU A 86 1.529 -7.476 0.048 1.00 0.44 C ATOM 1358 O GLU A 86 1.386 -8.695 0.131 1.00 0.46 O ATOM 1359 CB GLU A 86 2.639 -5.943 1.640 1.00 0.48 C ATOM 1360 CG GLU A 86 3.694 -4.888 1.832 1.00 0.98 C ATOM 1361 CD GLU A 86 5.101 -5.453 1.831 1.00 2.08 C ATOM 1362 OE1 GLU A 86 5.361 -6.404 2.598 1.00 2.61 O ATOM 1363 OE2 GLU A 86 5.942 -4.945 1.060 1.00 2.91 O ATOM 0 H GLU A 86 3.599 -5.069 -0.439 1.00 0.45 H new ATOM 0 HA GLU A 86 3.584 -7.590 0.624 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.665 -5.459 1.568 1.00 0.48 H new ATOM 0 HB3 GLU A 86 2.613 -6.580 2.524 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.606 -4.145 1.040 1.00 0.98 H new ATOM 0 HG3 GLU A 86 3.516 -4.371 2.775 1.00 0.98 H new ATOM 1370 N VAL A 87 0.568 -6.659 -0.355 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.750 -7.162 -0.702 1.00 0.46 C ATOM 1372 C VAL A 87 -0.784 -7.763 -2.103 1.00 0.47 C ATOM 1373 O VAL A 87 -1.844 -8.170 -2.581 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.843 -6.078 -0.574 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -3.157 -6.722 -0.167 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.449 -4.998 0.427 1.00 0.81 C ATOM 0 H VAL A 87 0.676 -5.649 -0.449 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.964 -7.951 0.019 1.00 0.46 H new ATOM 0 HB VAL A 87 -1.959 -5.597 -1.545 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.926 -5.955 -0.078 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -3.456 -7.449 -0.923 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.034 -7.226 0.792 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.242 -4.253 0.490 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -1.296 -5.449 1.407 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.526 -4.518 0.100 1.00 0.81 H new ATOM 1386 N ARG A 88 0.369 -7.821 -2.764 1.00 0.50 N ATOM 1387 CA ARG A 88 0.440 -8.399 -4.096 1.00 0.52 C ATOM 1388 C ARG A 88 0.502 -9.920 -4.012 1.00 0.50 C ATOM 1389 O ARG A 88 -0.447 -10.607 -4.392 1.00 0.59 O ATOM 1390 CB ARG A 88 1.648 -7.853 -4.854 1.00 0.56 C ATOM 1391 CG ARG A 88 1.686 -8.282 -6.309 1.00 0.67 C ATOM 1392 CD ARG A 88 2.804 -7.586 -7.069 1.00 1.33 C ATOM 1393 NE ARG A 88 4.114 -7.857 -6.485 1.00 1.83 N ATOM 1394 CZ ARG A 88 5.247 -7.342 -6.950 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.229 -6.534 -8.000 1.00 3.25 N ATOM 1396 NH2 ARG A 88 6.401 -7.636 -6.364 1.00 3.50 N ATOM 0 H ARG A 88 1.258 -7.477 -2.400 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.461 -8.120 -4.643 1.00 0.52 H new ATOM 0 HB2 ARG A 88 1.639 -6.764 -4.803 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.560 -8.187 -4.360 1.00 0.56 H new ATOM 0 HG2 ARG A 88 1.823 -9.362 -6.367 1.00 0.67 H new ATOM 0 HG3 ARG A 88 0.729 -8.056 -6.780 1.00 0.67 H new ATOM 0 HD2 ARG A 88 2.795 -7.915 -8.108 1.00 1.33 H new ATOM 0 HD3 ARG A 88 2.625 -6.511 -7.074 1.00 1.33 H new ATOM 0 HE ARG A 88 4.162 -8.476 -5.676 1.00 1.83 H new ATOM 0 HH11 ARG A 88 4.344 -6.306 -8.453 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.100 -6.140 -8.355 1.00 3.25 H new ATOM 0 HH21 ARG A 88 6.419 -8.258 -5.556 1.00 3.50 H new ATOM 0 HH22 ARG A 88 7.270 -7.240 -6.722 1.00 3.50 H new ATOM 1410 N LYS A 89 1.619 -10.445 -3.515 1.00 0.47 N ATOM 1411 CA LYS A 89 1.769 -11.888 -3.367 1.00 0.49 C ATOM 1412 C LYS A 89 0.630 -12.425 -2.516 1.00 0.49 C ATOM 1413 O LYS A 89 0.191 -13.564 -2.677 1.00 0.55 O ATOM 1414 CB LYS A 89 3.116 -12.233 -2.720 1.00 0.56 C ATOM 1415 CG LYS A 89 3.173 -11.983 -1.216 1.00 0.70 C ATOM 1416 CD LYS A 89 4.402 -11.193 -0.841 1.00 1.55 C ATOM 1417 CE LYS A 89 4.212 -9.714 -1.043 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.039 -9.224 -2.182 1.00 3.29 N ATOM 0 H LYS A 89 2.425 -9.899 -3.211 1.00 0.47 H new ATOM 0 HA LYS A 89 1.740 -12.349 -4.354 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.339 -13.283 -2.911 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.898 -11.648 -3.204 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.280 -11.443 -0.900 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.174 -12.935 -0.686 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.651 -11.386 0.202 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.247 -11.534 -1.439 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.160 -9.501 -1.233 1.00 2.44 H new ATOM 0 HE3 LYS A 89 4.486 -9.180 -0.133 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 4.501 -8.517 -2.723 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.911 -8.791 -1.817 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 5.283 -10.022 -2.803 1.00 3.29 H new ATOM 1432 N GLU A 90 0.162 -11.577 -1.606 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.924 -11.924 -0.718 1.00 0.52 C ATOM 1434 C GLU A 90 -2.230 -12.121 -1.495 1.00 0.55 C ATOM 1435 O GLU A 90 -3.215 -12.616 -0.948 1.00 0.62 O ATOM 1436 CB GLU A 90 -1.066 -10.847 0.366 1.00 0.55 C ATOM 1437 CG GLU A 90 -0.075 -11.011 1.506 1.00 0.62 C ATOM 1438 CD GLU A 90 -0.257 -12.313 2.260 1.00 1.26 C ATOM 1439 OE1 GLU A 90 0.354 -13.324 1.854 1.00 1.95 O ATOM 1440 OE2 GLU A 90 -1.009 -12.321 3.257 1.00 1.97 O ATOM 0 H GLU A 90 0.528 -10.635 -1.469 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.698 -12.874 -0.233 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.930 -9.865 -0.087 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -2.079 -10.876 0.767 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.939 -10.965 1.109 1.00 0.62 H new ATOM 0 HG3 GLU A 90 -0.184 -10.177 2.199 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.234 -11.742 -2.778 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.415 -11.903 -3.618 1.00 0.61 C ATOM 1449 C LYS A 91 -3.767 -13.378 -3.762 1.00 0.63 C ATOM 1450 O LYS A 91 -4.934 -13.763 -3.683 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.195 -11.250 -4.988 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.396 -12.087 -5.974 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.361 -11.429 -7.345 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.542 -12.240 -8.335 1.00 0.70 C ATOM 1455 NZ LYS A 91 -2.129 -13.589 -8.569 1.00 1.38 N ATOM 0 H LYS A 91 -1.433 -11.324 -3.251 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.255 -11.400 -3.139 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.167 -11.026 -5.428 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.683 -10.298 -4.843 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.379 -12.219 -5.604 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -2.837 -13.080 -6.055 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.378 -11.315 -7.720 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.940 -10.428 -7.258 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -1.480 -11.702 -9.281 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -0.524 -12.347 -7.962 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.668 -14.031 -9.390 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -1.981 -14.183 -7.728 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -3.148 -13.497 -8.753 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.748 -14.193 -3.974 1.00 0.61 N ATOM 1470 CA ALA A 92 -2.929 -15.636 -4.121 1.00 0.66 C ATOM 1471 C ALA A 92 -3.035 -16.345 -2.772 1.00 0.64 C ATOM 1472 O ALA A 92 -3.747 -17.337 -2.646 1.00 0.70 O ATOM 1473 CB ALA A 92 -1.798 -16.227 -4.949 1.00 0.75 C ATOM 0 H ALA A 92 -1.779 -13.882 -4.049 1.00 0.61 H new ATOM 0 HA ALA A 92 -3.874 -15.795 -4.641 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -1.945 -17.302 -5.051 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -1.791 -15.767 -5.937 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -0.846 -16.036 -4.453 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.303 -15.862 -1.777 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.341 -16.475 -0.448 1.00 0.66 C ATOM 1481 C LEU A 93 -3.524 -16.002 0.371 1.00 0.59 C ATOM 1482 O LEU A 93 -3.953 -16.697 1.293 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.047 -16.227 0.314 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.992 -16.936 1.661 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.419 -17.427 1.947 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.470 -16.008 2.768 1.00 0.95 C ATOM 0 H LEU A 93 -1.681 -15.057 -1.858 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.455 -17.547 -0.608 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.206 -16.557 -0.296 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -0.926 -15.155 0.471 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.655 -17.800 1.625 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.440 -17.931 2.913 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.727 -18.124 1.167 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.103 -16.578 1.966 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -1.425 -16.529 3.724 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.831 -15.126 2.805 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.497 -15.703 2.569 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.057 -14.828 0.051 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.207 -14.325 0.785 1.00 0.52 C ATOM 1500 C GLY A 94 -6.250 -15.390 0.983 1.00 0.52 C ATOM 1501 O GLY A 94 -6.883 -15.469 2.035 1.00 0.57 O ATOM 0 H GLY A 94 -3.719 -14.220 -0.695 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.883 -13.948 1.755 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.643 -13.484 0.246 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.426 -16.210 -0.045 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.405 -17.275 -0.002 1.00 0.57 C ATOM 1507 C ILE A 95 -6.984 -18.361 0.961 1.00 0.61 C ATOM 1508 O ILE A 95 -6.792 -19.513 0.576 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.639 -17.886 -1.391 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.313 -18.231 -2.055 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.414 -16.915 -2.246 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.450 -19.195 -3.213 1.00 1.68 C ATOM 0 H ILE A 95 -5.900 -16.153 -0.917 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.339 -16.832 0.344 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.214 -18.806 -1.280 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.844 -17.313 -2.410 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.644 -18.663 -1.310 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.579 -17.350 -3.232 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.375 -16.704 -1.777 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.849 -15.989 -2.348 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.466 -19.396 -3.638 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.890 -20.128 -2.860 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.093 -18.757 -3.977 1.00 1.68 H new ATOM 1524 N ARG A 96 -6.837 -17.984 2.219 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.466 -18.931 3.241 1.00 0.74 C ATOM 1526 C ARG A 96 -7.551 -20.003 3.337 1.00 0.82 C ATOM 1527 O ARG A 96 -7.323 -21.090 3.868 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.280 -18.197 4.561 1.00 0.84 C ATOM 1529 CG ARG A 96 -4.886 -17.631 4.766 1.00 1.65 C ATOM 1530 CD ARG A 96 -3.813 -18.692 4.606 1.00 2.45 C ATOM 1531 NE ARG A 96 -2.512 -18.217 5.066 1.00 2.91 N ATOM 1532 CZ ARG A 96 -1.373 -18.866 4.857 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -1.375 -20.007 4.185 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -0.232 -18.371 5.317 1.00 4.48 N ATOM 0 H ARG A 96 -6.970 -17.029 2.551 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.523 -19.419 2.994 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.003 -17.383 4.616 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.507 -18.880 5.379 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -4.712 -16.828 4.050 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -4.816 -17.191 5.761 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -4.095 -19.582 5.168 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -3.744 -18.985 3.558 1.00 2.45 H new ATOM 0 HE ARG A 96 -2.476 -17.335 5.578 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -2.252 -20.387 3.828 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -0.500 -20.506 4.024 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -0.229 -17.491 5.832 1.00 4.48 H new ATOM 0 HH22 ARG A 96 0.642 -18.871 5.156 1.00 4.48 H new ATOM 1548 N LYS A 97 -8.740 -19.677 2.813 1.00 0.83 N ATOM 1549 CA LYS A 97 -9.849 -20.615 2.782 1.00 0.95 C ATOM 1550 C LYS A 97 -9.850 -21.336 1.442 1.00 0.94 C ATOM 1551 O LYS A 97 -10.564 -20.951 0.516 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.201 -19.910 2.995 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.215 -18.416 2.667 1.00 0.99 C ATOM 1554 CD LYS A 97 -10.671 -17.594 3.818 1.00 1.56 C ATOM 1555 CE LYS A 97 -10.265 -16.209 3.354 1.00 1.85 C ATOM 1556 NZ LYS A 97 -9.982 -15.301 4.497 1.00 2.92 N ATOM 0 H LYS A 97 -8.950 -18.766 2.406 1.00 0.83 H new ATOM 0 HA LYS A 97 -9.718 -21.327 3.597 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -11.953 -20.407 2.382 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.501 -20.040 4.035 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.619 -18.232 1.773 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.234 -18.101 2.442 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -11.426 -17.512 4.600 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -9.811 -18.101 4.257 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -9.380 -16.283 2.722 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.060 -15.784 2.741 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -9.564 -14.417 4.143 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -10.868 -15.088 4.999 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -9.316 -15.762 5.150 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.036 -22.380 1.345 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.924 -23.150 0.114 1.00 1.06 C ATOM 1572 C LYS A 98 -9.640 -24.491 0.245 1.00 1.22 C ATOM 1573 O LYS A 98 -10.842 -24.555 -0.092 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.450 -23.374 -0.235 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.573 -22.140 -0.047 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.147 -22.400 -0.501 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.311 -21.134 -0.448 1.00 2.00 C ATOM 1578 NZ LYS A 98 -2.929 -21.357 -0.954 1.00 2.74 N ATOM 1579 OXT LYS A 98 -8.994 -25.465 0.682 1.00 1.70 O ATOM 0 H LYS A 98 -8.443 -22.713 2.106 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.399 -22.584 -0.688 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.060 -24.182 0.384 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.379 -23.703 -1.272 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -6.990 -21.306 -0.611 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.575 -21.847 1.003 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.695 -23.163 0.132 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.153 -22.792 -1.518 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -4.793 -20.356 -1.040 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.267 -20.771 0.579 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.392 -20.468 -0.901 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.459 -22.081 -0.373 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -2.969 -21.678 -1.942 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.667 -4.761 -2.322 1.00 0.65 N ATOM 1595 CA MET B 1 17.869 -5.998 -2.506 1.00 0.59 C ATOM 1596 C MET B 1 16.557 -5.700 -3.213 1.00 0.59 C ATOM 1597 O MET B 1 16.253 -4.548 -3.514 1.00 0.60 O ATOM 1598 CB MET B 1 17.563 -6.646 -1.157 1.00 0.58 C ATOM 1599 CG MET B 1 18.729 -7.416 -0.532 1.00 0.60 C ATOM 1600 SD MET B 1 19.385 -8.731 -1.577 1.00 0.94 S ATOM 1601 CE MET B 1 20.722 -7.874 -2.411 1.00 1.18 C ATOM 0 H1 MET B 1 19.572 -4.996 -1.868 1.00 0.65 H new ATOM 0 H2 MET B 1 18.848 -4.323 -3.248 1.00 0.65 H new ATOM 0 H3 MET B 1 18.141 -4.095 -1.721 1.00 0.65 H new ATOM 0 HA MET B 1 18.461 -6.680 -3.116 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.245 -5.869 -0.461 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.721 -7.327 -1.280 1.00 0.58 H new ATOM 0 HG2 MET B 1 19.531 -6.715 -0.301 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.401 -7.847 0.414 1.00 0.60 H new ATOM 0 HE1 MET B 1 20.744 -8.168 -3.460 1.00 1.18 H new ATOM 0 HE2 MET B 1 20.565 -6.798 -2.339 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.670 -8.134 -1.941 1.00 1.18 H new ATOM 1613 N ALA B 2 15.803 -6.753 -3.513 1.00 0.61 N ATOM 1614 CA ALA B 2 14.509 -6.601 -4.163 1.00 0.64 C ATOM 1615 C ALA B 2 13.367 -7.019 -3.246 1.00 0.62 C ATOM 1616 O ALA B 2 13.531 -7.884 -2.387 1.00 0.71 O ATOM 1617 CB ALA B 2 14.449 -7.408 -5.449 1.00 0.72 C ATOM 0 H ALA B 2 16.066 -7.719 -3.316 1.00 0.61 H new ATOM 0 HA ALA B 2 14.393 -5.543 -4.398 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.472 -7.278 -5.915 1.00 0.72 H new ATOM 0 HB2 ALA B 2 15.226 -7.063 -6.131 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.606 -8.463 -5.224 1.00 0.72 H new ATOM 1623 N ALA B 3 12.212 -6.395 -3.428 1.00 0.73 N ATOM 1624 CA ALA B 3 11.025 -6.744 -2.665 1.00 0.75 C ATOM 1625 C ALA B 3 10.458 -8.035 -3.245 1.00 0.65 C ATOM 1626 O ALA B 3 9.562 -8.006 -4.089 1.00 0.81 O ATOM 1627 CB ALA B 3 10.006 -5.629 -2.753 1.00 1.04 C ATOM 0 H ALA B 3 12.073 -5.641 -4.101 1.00 0.73 H new ATOM 0 HA ALA B 3 11.275 -6.886 -1.614 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.120 -5.899 -2.178 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.435 -4.712 -2.349 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.728 -5.471 -3.795 1.00 1.04 H new ATOM 1633 N GLU B 4 10.991 -9.165 -2.800 1.00 0.62 N ATOM 1634 CA GLU B 4 10.574 -10.465 -3.328 1.00 0.75 C ATOM 1635 C GLU B 4 9.149 -10.800 -2.913 1.00 0.74 C ATOM 1636 O GLU B 4 8.222 -10.679 -3.715 1.00 0.86 O ATOM 1637 CB GLU B 4 11.540 -11.583 -2.894 1.00 0.97 C ATOM 1638 CG GLU B 4 12.937 -11.102 -2.530 1.00 1.45 C ATOM 1639 CD GLU B 4 13.575 -10.253 -3.617 1.00 2.42 C ATOM 1640 OE1 GLU B 4 12.838 -9.673 -4.441 1.00 3.20 O ATOM 1641 OE2 GLU B 4 14.818 -10.173 -3.644 1.00 3.02 O ATOM 0 H GLU B 4 11.710 -9.212 -2.078 1.00 0.62 H new ATOM 0 HA GLU B 4 10.603 -10.396 -4.415 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.113 -12.102 -2.036 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.619 -12.312 -3.701 1.00 0.97 H new ATOM 0 HG2 GLU B 4 12.887 -10.524 -1.607 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.572 -11.965 -2.331 1.00 1.45 H new ATOM 1648 N THR B 5 8.964 -11.221 -1.669 1.00 0.70 N ATOM 1649 CA THR B 5 7.640 -11.556 -1.190 1.00 0.75 C ATOM 1650 C THR B 5 7.145 -10.512 -0.170 1.00 0.62 C ATOM 1651 O THR B 5 7.198 -9.314 -0.452 1.00 0.79 O ATOM 1652 CB THR B 5 7.610 -12.982 -0.608 1.00 0.92 C ATOM 1653 OG1 THR B 5 8.471 -13.833 -1.371 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.195 -13.532 -0.643 1.00 1.08 C ATOM 0 H THR B 5 9.710 -11.336 -0.983 1.00 0.70 H new ATOM 0 HA THR B 5 6.954 -11.536 -2.037 1.00 0.75 H new ATOM 0 HB THR B 5 7.954 -12.947 0.426 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.406 -13.615 -1.173 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.186 -14.540 -0.229 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.541 -12.891 -0.052 1.00 1.08 H new ATOM 0 HG23 THR B 5 5.841 -13.560 -1.673 1.00 1.08 H new ATOM 1662 N LEU B 6 6.664 -10.937 1.007 1.00 0.54 N ATOM 1663 CA LEU B 6 6.174 -9.995 2.004 1.00 0.50 C ATOM 1664 C LEU B 6 7.328 -9.187 2.574 1.00 0.49 C ATOM 1665 O LEU B 6 8.065 -9.663 3.437 1.00 0.56 O ATOM 1666 CB LEU B 6 5.459 -10.740 3.138 1.00 0.60 C ATOM 1667 CG LEU B 6 3.937 -10.555 3.225 1.00 0.75 C ATOM 1668 CD1 LEU B 6 3.227 -11.305 2.111 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.420 -11.015 4.580 1.00 1.07 C ATOM 0 H LEU B 6 6.607 -11.917 1.283 1.00 0.54 H new ATOM 0 HA LEU B 6 5.467 -9.320 1.521 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.668 -11.805 3.032 1.00 0.60 H new ATOM 0 HB3 LEU B 6 5.896 -10.422 4.084 1.00 0.60 H new ATOM 0 HG LEU B 6 3.724 -9.492 3.108 1.00 0.75 H new ATOM 0 HD11 LEU B 6 2.151 -11.155 2.199 1.00 1.15 H new ATOM 0 HD12 LEU B 6 3.568 -10.931 1.146 1.00 1.15 H new ATOM 0 HD13 LEU B 6 3.452 -12.369 2.187 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.340 -10.876 4.623 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.657 -12.070 4.721 1.00 1.07 H new ATOM 0 HD23 LEU B 6 3.893 -10.429 5.368 1.00 1.07 H new ATOM 1681 N THR B 7 7.482 -7.967 2.087 1.00 0.50 N ATOM 1682 CA THR B 7 8.542 -7.098 2.566 1.00 0.53 C ATOM 1683 C THR B 7 8.232 -6.711 3.997 1.00 0.48 C ATOM 1684 O THR B 7 7.519 -7.432 4.685 1.00 0.55 O ATOM 1685 CB THR B 7 8.672 -5.831 1.685 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.095 -6.078 0.397 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.128 -5.415 1.505 1.00 0.80 C ATOM 0 H THR B 7 6.890 -7.558 1.364 1.00 0.50 H new ATOM 0 HA THR B 7 9.493 -7.629 2.514 1.00 0.53 H new ATOM 0 HB THR B 7 8.144 -5.022 2.190 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.164 -5.773 0.392 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.177 -4.523 0.881 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.568 -5.202 2.479 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.681 -6.223 1.026 1.00 0.80 H new ATOM 1695 N GLU B 8 8.780 -5.613 4.470 1.00 0.46 N ATOM 1696 CA GLU B 8 8.491 -5.183 5.828 1.00 0.45 C ATOM 1697 C GLU B 8 7.154 -4.454 5.866 1.00 0.41 C ATOM 1698 O GLU B 8 6.448 -4.462 6.875 1.00 0.42 O ATOM 1699 CB GLU B 8 9.581 -4.262 6.359 1.00 0.50 C ATOM 1700 CG GLU B 8 10.956 -4.511 5.752 1.00 0.52 C ATOM 1701 CD GLU B 8 12.082 -3.971 6.612 1.00 1.09 C ATOM 1702 OE1 GLU B 8 12.526 -4.691 7.531 1.00 1.67 O ATOM 1703 OE2 GLU B 8 12.520 -2.828 6.368 1.00 1.94 O ATOM 0 H GLU B 8 9.416 -5.009 3.950 1.00 0.46 H new ATOM 0 HA GLU B 8 8.449 -6.070 6.460 1.00 0.45 H new ATOM 0 HB2 GLU B 8 9.293 -3.228 6.168 1.00 0.50 H new ATOM 0 HB3 GLU B 8 9.646 -4.380 7.441 1.00 0.50 H new ATOM 0 HG2 GLU B 8 11.096 -5.582 5.608 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.003 -4.048 4.766 1.00 0.52 H new ATOM 1710 N LEU B 9 6.829 -3.816 4.750 1.00 0.41 N ATOM 1711 CA LEU B 9 5.591 -3.055 4.615 1.00 0.40 C ATOM 1712 C LEU B 9 4.354 -3.908 4.858 1.00 0.38 C ATOM 1713 O LEU B 9 3.314 -3.389 5.258 1.00 0.40 O ATOM 1714 CB LEU B 9 5.518 -2.419 3.222 1.00 0.46 C ATOM 1715 CG LEU B 9 6.856 -1.978 2.627 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.642 -1.088 1.414 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.702 -1.278 3.674 1.00 0.93 C ATOM 0 H LEU B 9 7.413 -3.810 3.914 1.00 0.41 H new ATOM 0 HA LEU B 9 5.605 -2.278 5.380 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.055 -3.132 2.540 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.859 -1.552 3.272 1.00 0.46 H new ATOM 0 HG LEU B 9 7.393 -2.867 2.298 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.608 -0.787 1.008 1.00 0.93 H new ATOM 0 HD12 LEU B 9 6.084 -1.636 0.655 1.00 0.93 H new ATOM 0 HD13 LEU B 9 6.080 -0.201 1.708 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.650 -0.972 3.231 1.00 0.93 H new ATOM 0 HD22 LEU B 9 7.173 -0.399 4.041 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.892 -1.960 4.503 1.00 0.93 H new ATOM 1729 N GLU B 10 4.452 -5.214 4.622 1.00 0.38 N ATOM 1730 CA GLU B 10 3.303 -6.095 4.833 1.00 0.39 C ATOM 1731 C GLU B 10 2.785 -5.924 6.246 1.00 0.38 C ATOM 1732 O GLU B 10 1.582 -5.962 6.484 1.00 0.40 O ATOM 1733 CB GLU B 10 3.662 -7.553 4.560 1.00 0.45 C ATOM 1734 CG GLU B 10 4.974 -7.966 5.180 1.00 0.45 C ATOM 1735 CD GLU B 10 4.799 -8.780 6.447 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.381 -8.201 7.472 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.080 -9.997 6.415 1.00 1.16 O ATOM 0 H GLU B 10 5.297 -5.680 4.291 1.00 0.38 H new ATOM 0 HA GLU B 10 2.519 -5.817 4.128 1.00 0.39 H new ATOM 0 HB2 GLU B 10 2.868 -8.194 4.943 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.710 -7.714 3.483 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.544 -8.548 4.456 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.560 -7.075 5.405 1.00 0.45 H new ATOM 1744 N ALA B 11 3.700 -5.720 7.186 1.00 0.39 N ATOM 1745 CA ALA B 11 3.308 -5.482 8.568 1.00 0.39 C ATOM 1746 C ALA B 11 2.336 -4.315 8.607 1.00 0.36 C ATOM 1747 O ALA B 11 1.456 -4.245 9.464 1.00 0.39 O ATOM 1748 CB ALA B 11 4.527 -5.201 9.433 1.00 0.42 C ATOM 0 H ALA B 11 4.706 -5.715 7.019 1.00 0.39 H new ATOM 0 HA ALA B 11 2.822 -6.372 8.968 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.211 -5.026 10.461 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.201 -6.057 9.401 1.00 0.42 H new ATOM 0 HB3 ALA B 11 5.044 -4.318 9.057 1.00 0.42 H new ATOM 1754 N ALA B 12 2.512 -3.400 7.656 1.00 0.33 N ATOM 1755 CA ALA B 12 1.633 -2.250 7.534 1.00 0.32 C ATOM 1756 C ALA B 12 0.261 -2.715 7.072 1.00 0.33 C ATOM 1757 O ALA B 12 -0.760 -2.109 7.402 1.00 0.34 O ATOM 1758 CB ALA B 12 2.209 -1.232 6.560 1.00 0.34 C ATOM 0 H ALA B 12 3.257 -3.437 6.961 1.00 0.33 H new ATOM 0 HA ALA B 12 1.541 -1.765 8.506 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.535 -0.379 6.484 1.00 0.34 H new ATOM 0 HB2 ALA B 12 3.181 -0.895 6.919 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.324 -1.692 5.579 1.00 0.34 H new ATOM 1764 N ILE B 13 0.249 -3.804 6.302 1.00 0.36 N ATOM 1765 CA ILE B 13 -0.993 -4.376 5.806 1.00 0.40 C ATOM 1766 C ILE B 13 -1.963 -4.584 6.971 1.00 0.39 C ATOM 1767 O ILE B 13 -3.179 -4.527 6.805 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.741 -5.712 5.038 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.724 -5.844 3.873 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.831 -6.941 5.945 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.171 -5.936 4.303 1.00 2.05 C ATOM 0 H ILE B 13 1.089 -4.304 6.011 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.437 -3.679 5.095 1.00 0.40 H new ATOM 0 HB ILE B 13 0.279 -5.672 4.656 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.605 -4.986 3.211 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.470 -6.732 3.294 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.647 -7.841 5.358 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.085 -6.865 6.736 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -1.825 -6.994 6.389 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.807 -6.027 3.423 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.306 -6.810 4.941 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.444 -5.037 4.856 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.388 -4.823 8.150 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.162 -5.040 9.361 1.00 0.42 C ATOM 1785 C GLU B 14 -3.071 -3.854 9.653 1.00 0.38 C ATOM 1786 O GLU B 14 -4.169 -4.026 10.182 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.230 -5.285 10.549 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.312 -6.483 10.366 1.00 0.79 C ATOM 1789 CD GLU B 14 0.614 -6.692 11.548 1.00 1.46 C ATOM 1790 OE1 GLU B 14 1.703 -6.082 11.565 1.00 2.02 O ATOM 1791 OE2 GLU B 14 0.248 -7.467 12.458 1.00 2.25 O ATOM 0 H GLU B 14 -0.378 -4.870 8.287 1.00 0.39 H new ATOM 0 HA GLU B 14 -2.786 -5.920 9.206 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.623 -4.395 10.713 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.830 -5.432 11.447 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.915 -7.379 10.218 1.00 0.79 H new ATOM 0 HG3 GLU B 14 0.283 -6.346 9.463 1.00 0.79 H new ATOM 1798 N THR B 15 -2.622 -2.648 9.311 1.00 0.30 N ATOM 1799 CA THR B 15 -3.420 -1.470 9.544 1.00 0.28 C ATOM 1800 C THR B 15 -4.483 -1.324 8.463 1.00 0.28 C ATOM 1801 O THR B 15 -5.676 -1.451 8.722 1.00 0.34 O ATOM 1802 CB THR B 15 -2.559 -0.198 9.585 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.557 -0.312 10.605 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.421 1.027 9.848 1.00 0.32 C ATOM 0 H THR B 15 -1.716 -2.472 8.876 1.00 0.30 H new ATOM 0 HA THR B 15 -3.898 -1.593 10.516 1.00 0.28 H new ATOM 0 HB THR B 15 -2.074 -0.083 8.615 1.00 0.28 H new ATOM 0 HG1 THR B 15 -1.013 0.503 10.622 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.791 1.916 9.873 1.00 0.32 H new ATOM 0 HG22 THR B 15 -4.161 1.128 9.054 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.929 0.915 10.806 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.026 -1.078 7.248 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.908 -0.911 6.095 1.00 0.28 C ATOM 1814 C VAL B 16 -5.965 -2.012 6.026 1.00 0.30 C ATOM 1815 O VAL B 16 -7.070 -1.789 5.531 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.072 -0.905 4.804 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.222 -2.158 4.735 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.955 -0.803 3.576 1.00 0.33 C ATOM 0 H VAL B 16 -3.034 -0.987 7.028 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.429 0.040 6.204 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.423 -0.029 4.823 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.632 -2.148 3.818 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.554 -2.192 5.596 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.867 -3.036 4.741 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.334 -0.801 2.680 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.634 -1.655 3.545 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.533 0.120 3.619 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.624 -3.193 6.521 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.549 -4.314 6.519 1.00 0.33 C ATOM 1830 C VAL B 17 -7.519 -4.197 7.697 1.00 0.30 C ATOM 1831 O VAL B 17 -8.723 -4.405 7.559 1.00 0.33 O ATOM 1832 CB VAL B 17 -5.803 -5.664 6.592 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.197 -5.895 7.969 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -6.730 -6.805 6.216 1.00 0.50 C ATOM 0 H VAL B 17 -4.712 -3.399 6.929 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.105 -4.284 5.582 1.00 0.33 H new ATOM 0 HB VAL B 17 -4.984 -5.629 5.874 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.680 -6.855 7.983 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.488 -5.098 8.193 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -5.988 -5.898 8.719 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.187 -7.749 6.273 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.574 -6.830 6.905 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.095 -6.657 5.200 1.00 0.50 H new ATOM 1844 N SER B 18 -6.964 -3.874 8.863 1.00 0.33 N ATOM 1845 CA SER B 18 -7.750 -3.725 10.082 1.00 0.40 C ATOM 1846 C SER B 18 -8.410 -2.348 10.185 1.00 0.44 C ATOM 1847 O SER B 18 -9.087 -2.058 11.170 1.00 0.59 O ATOM 1848 CB SER B 18 -6.869 -3.970 11.309 1.00 0.51 C ATOM 1849 OG SER B 18 -6.395 -5.306 11.339 1.00 1.32 O ATOM 0 H SER B 18 -5.965 -3.710 8.988 1.00 0.33 H new ATOM 0 HA SER B 18 -8.547 -4.468 10.043 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.024 -3.281 11.297 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.437 -3.762 12.216 1.00 0.51 H new ATOM 0 HG SER B 18 -5.485 -5.338 10.977 1.00 1.32 H new ATOM 1855 N THR B 19 -8.120 -1.461 9.239 1.00 0.37 N ATOM 1856 CA THR B 19 -8.734 -0.132 9.231 1.00 0.45 C ATOM 1857 C THR B 19 -10.060 -0.091 8.466 1.00 0.46 C ATOM 1858 O THR B 19 -11.132 -0.310 9.032 1.00 0.53 O ATOM 1859 CB THR B 19 -7.781 0.962 8.693 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.260 0.608 7.400 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.635 1.206 9.661 1.00 0.49 C ATOM 0 H THR B 19 -7.469 -1.633 8.472 1.00 0.37 H new ATOM 0 HA THR B 19 -8.945 0.085 10.278 1.00 0.45 H new ATOM 0 HB THR B 19 -8.361 1.880 8.594 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.936 1.414 6.946 1.00 0.42 H new ATOM 0 HG21 THR B 19 -5.979 1.979 9.261 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.034 1.530 10.622 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.069 0.284 9.795 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.963 0.203 7.170 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.121 0.319 6.288 1.00 0.53 C ATOM 1871 C PHE B 20 -11.609 -1.036 5.838 1.00 0.53 C ATOM 1872 O PHE B 20 -12.809 -1.272 5.693 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.702 1.150 5.087 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.670 1.160 3.950 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -13.026 1.290 4.175 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -11.210 1.047 2.651 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.910 1.307 3.120 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -12.088 1.063 1.591 1.00 1.37 C ATOM 1879 CZ PHE B 20 -13.440 1.193 1.827 1.00 1.18 C ATOM 0 H PHE B 20 -9.073 0.368 6.701 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.943 0.794 6.823 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.541 2.177 5.415 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.744 0.777 4.724 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.396 1.379 5.186 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -10.151 0.945 2.466 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.969 1.409 3.303 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -11.720 0.974 0.580 1.00 1.37 H new ATOM 0 HZ PHE B 20 -14.133 1.206 0.999 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.664 -1.918 5.618 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.955 -3.259 5.196 1.00 0.47 C ATOM 1891 C PHE B 21 -11.661 -4.058 6.295 1.00 0.49 C ATOM 1892 O PHE B 21 -11.907 -5.245 6.170 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.654 -3.889 4.685 1.00 0.47 C ATOM 1894 CG PHE B 21 -9.034 -3.107 3.554 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.750 -2.119 2.887 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.725 -3.338 3.172 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -9.175 -1.390 1.872 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -7.148 -2.611 2.155 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.870 -1.633 1.504 1.00 0.53 C ATOM 0 H PHE B 21 -9.669 -1.721 5.728 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.670 -3.261 4.374 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -8.941 -3.958 5.507 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.855 -4.907 4.350 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.773 -1.921 3.170 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.148 -4.098 3.678 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -9.747 -0.627 1.364 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -6.126 -2.807 1.866 1.00 1.13 H new ATOM 0 HZ PHE B 21 -7.415 -1.060 0.710 1.00 0.53 H new ATOM 1909 N THR B 22 -11.951 -3.420 7.405 1.00 0.48 N ATOM 1910 CA THR B 22 -12.739 -4.067 8.428 1.00 0.54 C ATOM 1911 C THR B 22 -14.203 -4.146 7.984 1.00 0.48 C ATOM 1912 O THR B 22 -15.019 -4.804 8.630 1.00 0.53 O ATOM 1913 CB THR B 22 -12.676 -3.291 9.751 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.397 -2.055 9.658 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.244 -3.005 10.117 1.00 0.81 C ATOM 0 H THR B 22 -11.658 -2.467 7.621 1.00 0.48 H new ATOM 0 HA THR B 22 -12.330 -5.066 8.579 1.00 0.54 H new ATOM 0 HB THR B 22 -13.136 -3.908 10.523 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.772 -1.326 9.463 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.212 -2.454 11.057 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.702 -3.944 10.228 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.780 -2.409 9.331 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.534 -3.468 6.870 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.909 -3.429 6.389 1.00 0.51 C ATOM 1925 C PHE B 23 -16.295 -4.670 5.589 1.00 0.44 C ATOM 1926 O PHE B 23 -17.477 -4.912 5.350 1.00 0.46 O ATOM 1927 CB PHE B 23 -16.178 -2.088 5.668 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.380 -2.071 4.173 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.447 -2.710 3.561 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.541 -1.299 3.394 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.654 -2.591 2.203 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.751 -1.163 2.042 1.00 1.93 C ATOM 1933 CZ PHE B 23 -16.807 -1.811 1.445 1.00 1.83 C ATOM 0 H PHE B 23 -13.869 -2.948 6.298 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.580 -3.465 7.247 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -17.065 -1.647 6.122 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.342 -1.425 5.891 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -18.123 -3.307 4.154 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.705 -0.793 3.855 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.478 -3.108 1.734 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -15.088 -0.549 1.450 1.00 1.93 H new ATOM 0 HZ PHE B 23 -16.973 -1.709 0.383 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.317 -5.492 5.214 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.625 -6.727 4.489 1.00 0.59 C ATOM 1945 C ALA B 24 -16.639 -7.527 5.270 1.00 0.61 C ATOM 1946 O ALA B 24 -17.534 -8.152 4.702 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.374 -7.550 4.241 1.00 0.71 C ATOM 0 H ALA B 24 -14.326 -5.333 5.394 1.00 0.51 H new ATOM 0 HA ALA B 24 -16.041 -6.464 3.516 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.638 -8.459 3.701 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.667 -6.969 3.649 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -13.917 -7.814 5.195 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.475 -7.511 6.585 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.418 -8.181 7.468 1.00 0.85 C ATOM 1955 C GLY B 25 -18.856 -7.979 7.010 1.00 0.74 C ATOM 1956 O GLY B 25 -19.719 -8.821 7.254 1.00 0.82 O ATOM 0 H GLY B 25 -15.703 -7.045 7.061 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.192 -9.247 7.501 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.302 -7.799 8.482 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.106 -6.844 6.345 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.428 -6.544 5.809 1.00 0.59 C ATOM 1962 C ARG B 26 -20.901 -7.699 4.950 1.00 0.58 C ATOM 1963 O ARG B 26 -22.054 -8.125 5.028 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.389 -5.263 4.979 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.410 -4.011 5.831 1.00 1.18 C ATOM 1966 CD ARG B 26 -21.428 -3.006 5.320 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.763 -3.585 5.205 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.853 -2.870 4.951 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -23.762 -1.559 4.774 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.036 -3.465 4.873 1.00 2.82 N ATOM 0 H ARG B 26 -18.407 -6.123 6.168 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.120 -6.400 6.638 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.490 -5.262 4.362 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -21.242 -5.249 4.300 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -20.644 -4.275 6.862 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -19.419 -3.556 5.836 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -21.462 -2.150 5.994 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.110 -2.632 4.346 1.00 0.96 H new ATOM 0 HE ARG B 26 -22.864 -4.593 5.326 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -22.854 -1.098 4.833 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.600 -1.011 4.579 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.110 -4.473 5.008 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -25.872 -2.914 4.678 1.00 2.82 H new ATOM 1984 N GLU B 27 -19.991 -8.201 4.128 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.295 -9.345 3.274 1.00 0.57 C ATOM 1986 C GLU B 27 -20.108 -10.648 4.055 1.00 0.80 C ATOM 1987 O GLU B 27 -19.021 -10.945 4.550 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.393 -9.345 2.038 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.521 -8.089 1.195 1.00 0.85 C ATOM 1990 CD GLU B 27 -20.934 -7.862 0.698 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -21.739 -7.273 1.448 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.235 -8.275 -0.442 1.00 1.79 O ATOM 0 H GLU B 27 -19.042 -7.839 4.033 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.333 -9.269 2.950 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.356 -9.456 2.355 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -19.633 -10.212 1.423 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -19.204 -7.228 1.783 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -18.846 -8.158 0.342 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.195 -11.414 4.153 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.196 -12.673 4.891 1.00 1.87 C ATOM 2001 C GLY B 28 -19.896 -13.449 4.829 1.00 1.35 C ATOM 2002 O GLY B 28 -19.018 -13.268 5.672 1.00 1.58 O ATOM 0 H GLY B 28 -22.091 -11.180 3.726 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -21.429 -12.465 5.935 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -21.997 -13.303 4.505 1.00 1.87 H new ATOM 2006 N ARG B 29 -19.784 -14.330 3.837 1.00 1.15 N ATOM 2007 CA ARG B 29 -18.597 -15.168 3.672 1.00 1.06 C ATOM 2008 C ARG B 29 -17.311 -14.384 3.920 1.00 1.14 C ATOM 2009 O ARG B 29 -17.318 -13.154 3.972 1.00 1.74 O ATOM 2010 CB ARG B 29 -18.569 -15.780 2.264 1.00 1.38 C ATOM 2011 CG ARG B 29 -17.434 -16.775 2.031 1.00 1.76 C ATOM 2012 CD ARG B 29 -17.540 -17.428 0.662 1.00 2.36 C ATOM 2013 NE ARG B 29 -18.723 -18.277 0.549 1.00 2.88 N ATOM 2014 CZ ARG B 29 -18.917 -19.140 -0.443 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -18.009 -19.266 -1.401 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -20.016 -19.881 -0.477 1.00 4.30 N ATOM 0 H ARG B 29 -20.505 -14.483 3.132 1.00 1.15 H new ATOM 0 HA ARG B 29 -18.654 -15.964 4.414 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -19.519 -16.282 2.080 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -18.487 -14.976 1.533 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -16.476 -16.263 2.118 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.457 -17.543 2.805 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -17.574 -16.655 -0.106 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -16.647 -18.024 0.475 1.00 2.36 H new ATOM 0 HE ARG B 29 -19.440 -18.204 1.271 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -17.161 -18.700 -1.377 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -18.159 -19.929 -2.162 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -20.716 -19.790 0.260 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -20.162 -20.542 -1.240 1.00 4.30 H new ATOM 2030 N LYS B 30 -16.206 -15.106 4.053 1.00 1.05 N ATOM 2031 CA LYS B 30 -14.913 -14.483 4.279 1.00 1.49 C ATOM 2032 C LYS B 30 -14.191 -14.340 2.954 1.00 1.34 C ATOM 2033 O LYS B 30 -13.078 -14.836 2.775 1.00 1.66 O ATOM 2034 CB LYS B 30 -14.057 -15.344 5.204 1.00 2.04 C ATOM 2035 CG LYS B 30 -13.105 -14.541 6.074 1.00 2.66 C ATOM 2036 CD LYS B 30 -12.346 -15.434 7.042 1.00 3.51 C ATOM 2037 CE LYS B 30 -11.417 -14.627 7.935 1.00 4.01 C ATOM 2038 NZ LYS B 30 -10.385 -13.896 7.150 1.00 4.78 N ATOM 0 H LYS B 30 -16.182 -16.125 4.008 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.073 -13.508 4.739 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -14.711 -15.935 5.845 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -13.481 -16.047 4.602 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -12.398 -14.004 5.442 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -13.666 -13.791 6.632 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -13.054 -15.988 7.658 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -11.767 -16.169 6.483 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -12.002 -13.915 8.517 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -10.928 -15.293 8.645 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -9.977 -13.138 7.734 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -9.634 -14.556 6.865 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -10.822 -13.482 6.302 1.00 4.78 H new ATOM 2052 N GLY B 31 -14.845 -13.669 2.025 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.266 -13.438 0.737 1.00 0.88 C ATOM 2054 C GLY B 31 -13.633 -12.099 0.696 1.00 0.81 C ATOM 2055 O GLY B 31 -12.452 -11.987 0.935 1.00 0.85 O ATOM 0 H GLY B 31 -15.779 -13.278 2.149 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.524 -14.206 0.520 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.034 -13.510 -0.034 1.00 0.88 H new ATOM 2059 N SER B 32 -14.375 -11.086 0.355 1.00 0.74 N ATOM 2060 CA SER B 32 -13.798 -9.768 0.300 1.00 0.71 C ATOM 2061 C SER B 32 -14.777 -8.707 0.740 1.00 0.70 C ATOM 2062 O SER B 32 -15.932 -8.991 1.057 1.00 0.75 O ATOM 2063 CB SER B 32 -13.303 -9.503 -1.109 1.00 0.69 C ATOM 2064 OG SER B 32 -14.336 -9.722 -2.054 1.00 1.09 O ATOM 0 H SER B 32 -15.365 -11.140 0.114 1.00 0.74 H new ATOM 0 HA SER B 32 -12.959 -9.724 0.995 1.00 0.71 H new ATOM 0 HB2 SER B 32 -12.945 -8.477 -1.186 1.00 0.69 H new ATOM 0 HB3 SER B 32 -12.457 -10.154 -1.331 1.00 0.69 H new ATOM 0 HG SER B 32 -14.011 -9.499 -2.951 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.299 -7.483 0.754 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.126 -6.354 1.101 1.00 0.74 C ATOM 2072 C LEU B 33 -15.675 -5.790 -0.184 1.00 0.57 C ATOM 2073 O LEU B 33 -15.065 -5.965 -1.239 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.312 -5.321 1.898 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.245 -3.875 1.374 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.454 -3.004 2.341 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.641 -3.788 -0.021 1.00 1.69 C ATOM 0 H LEU B 33 -13.333 -7.245 0.527 1.00 0.72 H new ATOM 0 HA LEU B 33 -15.954 -6.649 1.746 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.717 -5.289 2.909 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.290 -5.693 1.976 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.270 -3.511 1.305 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -13.413 -1.983 1.961 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -13.941 -3.009 3.316 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.442 -3.396 2.439 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -13.617 -2.747 -0.343 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -12.626 -4.186 -0.004 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.247 -4.369 -0.717 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.818 -5.132 -0.134 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.389 -4.647 -1.368 1.00 0.47 C ATOM 2091 C ASN B 34 -17.312 -3.133 -1.456 1.00 0.41 C ATOM 2092 O ASN B 34 -16.221 -2.567 -1.429 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.811 -5.207 -1.510 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.364 -5.054 -2.912 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -20.091 -4.109 -3.205 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.019 -5.991 -3.788 1.00 2.12 N ATOM 0 H ASN B 34 -17.349 -4.929 0.713 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.809 -5.005 -2.219 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -18.810 -6.262 -1.238 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.469 -4.697 -0.807 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.361 -5.942 -4.748 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -18.412 -6.759 -3.501 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.438 -2.476 -1.588 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.446 -1.029 -1.665 1.00 0.54 C ATOM 2105 C ILE B 35 -19.590 -0.434 -0.861 1.00 0.56 C ATOM 2106 O ILE B 35 -20.082 0.652 -1.166 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.510 -0.531 -3.116 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -19.426 -1.421 -3.952 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -17.113 -0.492 -3.711 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.816 -1.558 -3.378 1.00 1.04 C ATOM 0 H ILE B 35 -19.358 -2.913 -1.644 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.504 -0.692 -1.232 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.923 0.478 -3.122 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -19.496 -1.013 -4.960 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.978 -2.411 -4.039 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -17.166 -0.138 -4.741 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.487 0.183 -3.127 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.682 -1.493 -3.693 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -21.414 -2.203 -4.022 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.757 -1.995 -2.381 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -21.283 -0.575 -3.316 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.004 -1.154 0.173 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.069 -0.687 1.039 1.00 0.63 C ATOM 2124 C ASN B 36 -20.497 0.301 2.020 1.00 0.59 C ATOM 2125 O ASN B 36 -20.838 1.482 1.981 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.745 -1.843 1.773 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.330 -2.870 0.824 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -23.493 -2.777 0.431 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -21.526 -3.858 0.453 1.00 1.90 N ATOM 0 H ASN B 36 -19.617 -2.062 0.429 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.834 -0.206 0.430 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.020 -2.328 2.426 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.536 -1.451 2.411 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -21.865 -4.580 -0.183 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -20.569 -3.896 0.804 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.638 -0.156 2.919 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.037 0.800 3.825 1.00 0.56 C ATOM 2138 C GLU B 37 -17.979 1.608 3.097 1.00 0.50 C ATOM 2139 O GLU B 37 -17.523 2.628 3.604 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.492 0.162 5.083 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.355 -0.982 5.565 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.223 -1.244 7.053 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.673 -0.393 7.848 1.00 1.41 O ATOM 2144 OE2 GLU B 37 -18.666 -2.299 7.424 1.00 1.28 O ATOM 0 H GLU B 37 -19.355 -1.129 3.037 1.00 0.58 H new ATOM 0 HA GLU B 37 -19.825 1.474 4.161 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.482 -0.202 4.895 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.419 0.915 5.868 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.398 -0.765 5.332 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.087 -1.886 5.018 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.577 1.167 1.894 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.641 1.939 1.098 1.00 0.43 C ATOM 2153 C PHE B 38 -17.237 3.326 0.920 1.00 0.45 C ATOM 2154 O PHE B 38 -16.530 4.325 0.817 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.424 1.274 -0.264 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.260 1.812 -1.046 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.224 3.134 -1.451 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.201 0.985 -1.375 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -14.149 3.623 -2.170 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -13.122 1.467 -2.093 1.00 1.32 C ATOM 2161 CZ PHE B 38 -13.096 2.789 -2.491 1.00 0.46 C ATOM 0 H PHE B 38 -17.886 0.294 1.467 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.672 1.997 1.594 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.279 0.204 -0.112 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.330 1.392 -0.859 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.044 3.791 -1.203 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.217 -0.050 -1.067 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -14.133 4.657 -2.481 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.301 0.811 -2.342 1.00 1.32 H new ATOM 0 HZ PHE B 38 -12.255 3.170 -3.052 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.570 3.362 0.927 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.302 4.607 0.810 1.00 0.53 C ATOM 2173 C LYS B 39 -18.950 5.525 1.976 1.00 0.54 C ATOM 2174 O LYS B 39 -19.246 6.717 1.967 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.799 4.321 0.747 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.128 3.231 -0.247 1.00 0.68 C ATOM 2177 CD LYS B 39 -21.980 3.737 -1.399 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.348 4.196 -0.921 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.089 3.106 -0.230 1.00 1.82 N ATOM 0 H LYS B 39 -19.160 2.535 1.013 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.021 5.117 -0.111 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.154 4.029 1.735 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.331 5.233 0.474 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.203 2.810 -0.640 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.654 2.424 0.263 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.470 4.564 -1.894 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.099 2.946 -2.140 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.231 5.042 -0.243 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.931 4.548 -1.772 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.085 3.119 -0.530 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -23.665 2.188 -0.475 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -24.036 3.248 0.799 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.362 4.937 3.007 1.00 0.53 N ATOM 2194 CA GLU B 40 -17.896 5.680 4.153 1.00 0.57 C ATOM 2195 C GLU B 40 -16.518 6.291 3.839 1.00 0.55 C ATOM 2196 O GLU B 40 -15.963 7.029 4.653 1.00 0.61 O ATOM 2197 CB GLU B 40 -17.829 4.760 5.389 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.495 4.046 5.591 1.00 1.09 C ATOM 2199 CD GLU B 40 -15.608 4.743 6.605 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -15.744 4.450 7.811 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -14.780 5.582 6.194 1.00 2.62 O ATOM 0 H GLU B 40 -18.198 3.932 3.066 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.592 6.488 4.375 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.044 5.354 6.277 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -18.616 4.011 5.308 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.681 3.023 5.919 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -15.972 3.985 4.637 1.00 1.09 H new ATOM 2208 N LEU B 41 -15.972 5.989 2.642 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.660 6.479 2.260 1.00 0.50 C ATOM 2210 C LEU B 41 -14.726 7.928 1.847 1.00 0.55 C ATOM 2211 O LEU B 41 -14.478 8.813 2.654 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.070 5.660 1.108 1.00 0.46 C ATOM 2213 CG LEU B 41 -13.697 4.215 1.425 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.734 3.679 0.379 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.094 4.100 2.816 1.00 0.66 C ATOM 0 H LEU B 41 -16.428 5.410 1.937 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.016 6.378 3.134 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.789 5.655 0.289 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.178 6.172 0.747 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.607 3.615 1.403 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.476 2.647 0.617 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.205 3.718 -0.603 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -11.829 4.287 0.372 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -12.837 3.060 3.016 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.195 4.714 2.875 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -13.817 4.444 3.556 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.069 8.174 0.582 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.157 9.542 0.073 1.00 0.62 C ATOM 2229 C ALA B 42 -15.861 10.427 1.078 1.00 0.68 C ATOM 2230 O ALA B 42 -15.421 11.517 1.386 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.903 9.572 -1.239 1.00 0.65 C ATOM 0 H ALA B 42 -15.288 7.451 -0.103 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.145 9.914 -0.088 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.959 10.598 -1.603 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.379 8.956 -1.970 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.911 9.184 -1.093 1.00 0.65 H new ATOM 2237 N THR B 43 -16.933 9.898 1.616 1.00 0.65 N ATOM 2238 CA THR B 43 -17.736 10.598 2.593 1.00 0.73 C ATOM 2239 C THR B 43 -16.891 11.151 3.742 1.00 0.78 C ATOM 2240 O THR B 43 -16.857 12.358 3.979 1.00 0.85 O ATOM 2241 CB THR B 43 -18.817 9.670 3.162 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.255 8.378 3.438 1.00 0.66 O ATOM 2243 CG2 THR B 43 -19.978 9.536 2.189 1.00 0.76 C ATOM 0 H THR B 43 -17.276 8.965 1.388 1.00 0.65 H new ATOM 0 HA THR B 43 -18.202 11.438 2.078 1.00 0.73 H new ATOM 0 HB THR B 43 -19.194 10.104 4.088 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.255 7.839 2.619 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.733 8.874 2.612 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.416 10.517 2.008 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.618 9.121 1.248 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.220 10.255 4.457 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.382 10.631 5.594 1.00 0.84 C ATOM 2253 C GLN B 44 -14.017 11.140 5.152 1.00 0.83 C ATOM 2254 O GLN B 44 -13.519 12.131 5.686 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.224 9.429 6.527 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.507 9.051 7.254 1.00 1.54 C ATOM 2257 CD GLN B 44 -17.017 10.157 8.157 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -17.785 11.019 7.728 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -16.595 10.137 9.416 1.00 2.74 N ATOM 0 H GLN B 44 -16.240 9.253 4.268 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.874 11.448 6.122 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.878 8.573 5.948 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.451 9.649 7.263 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.275 8.803 6.521 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -16.332 8.154 7.848 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -15.959 9.404 9.729 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -16.907 10.855 10.070 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.405 10.465 4.190 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.108 10.880 3.701 1.00 0.82 C ATOM 2270 C GLN B 45 -12.237 12.196 2.942 1.00 0.78 C ATOM 2271 O GLN B 45 -11.248 12.902 2.743 1.00 0.79 O ATOM 2272 CB GLN B 45 -11.464 9.767 2.873 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.838 9.725 1.406 1.00 0.95 C ATOM 2274 CD GLN B 45 -10.726 9.105 0.580 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -9.814 9.796 0.148 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -10.785 7.797 0.374 1.00 1.45 N ATOM 0 H GLN B 45 -13.786 9.634 3.738 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.437 11.061 4.541 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -10.381 9.867 2.948 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.728 8.809 3.322 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.755 9.151 1.277 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.041 10.735 1.050 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.563 7.256 0.751 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.052 7.332 -0.162 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.472 12.520 2.501 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.756 13.780 1.833 1.00 0.78 C ATOM 2287 C LEU B 46 -13.002 14.886 2.535 1.00 0.74 C ATOM 2288 O LEU B 46 -11.953 15.221 2.073 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.261 14.120 1.770 1.00 0.83 C ATOM 2290 CG LEU B 46 -15.944 14.029 0.394 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.234 14.835 0.399 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.022 14.522 -0.713 1.00 1.30 C ATOM 0 H LEU B 46 -14.284 11.912 2.603 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.427 13.680 0.799 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.787 13.453 2.453 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.395 15.134 2.147 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.175 12.982 0.198 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.711 14.765 -0.579 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -17.907 14.440 1.160 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.010 15.879 0.619 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.533 14.445 -1.673 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -14.754 15.562 -0.527 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.119 13.912 -0.733 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.417 15.429 3.703 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.612 16.507 4.255 1.00 0.80 C ATOM 2306 C PRO B 47 -11.238 16.021 4.688 1.00 0.77 C ATOM 2307 O PRO B 47 -11.028 15.598 5.824 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.408 16.924 5.499 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.775 16.365 5.304 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.577 15.095 4.536 1.00 0.90 C ATOM 0 HA PRO B 47 -12.442 17.304 3.532 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -12.950 16.532 6.407 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -13.439 18.009 5.600 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -15.262 16.174 6.260 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.410 17.061 4.756 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.380 14.247 5.192 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.451 14.838 3.937 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.314 16.086 3.744 1.00 0.73 N ATOM 2319 CA HIS B 48 -8.921 15.790 3.963 1.00 0.75 C ATOM 2320 C HIS B 48 -8.157 17.101 4.077 1.00 0.83 C ATOM 2321 O HIS B 48 -8.747 18.169 3.912 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.387 14.913 2.832 1.00 0.73 C ATOM 2323 CG HIS B 48 -6.945 14.558 2.996 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -5.966 14.950 2.109 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -6.310 13.872 3.975 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -4.791 14.519 2.533 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -4.972 13.865 3.664 1.00 1.59 N ATOM 0 H HIS B 48 -10.524 16.353 2.782 1.00 0.73 H new ATOM 0 HA HIS B 48 -8.790 15.231 4.890 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -8.977 13.998 2.781 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.521 15.432 1.883 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -6.124 15.489 1.258 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -6.769 13.415 4.839 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -3.844 14.676 2.038 1.00 2.02 H new ATOM 2336 N LEU B 49 -6.864 17.049 4.348 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.080 18.264 4.337 1.00 1.00 C ATOM 2338 C LEU B 49 -5.927 18.690 2.870 1.00 0.98 C ATOM 2339 O LEU B 49 -6.633 19.580 2.396 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.715 18.045 4.995 1.00 1.10 C ATOM 2341 CG LEU B 49 -4.760 17.746 6.495 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.360 17.502 7.034 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -5.432 18.886 7.244 1.00 2.44 C ATOM 0 H LEU B 49 -6.348 16.198 4.573 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.577 19.046 4.911 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.214 17.219 4.490 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.105 18.934 4.835 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.347 16.840 6.649 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -3.413 17.291 8.102 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -2.915 16.652 6.518 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -2.747 18.388 6.869 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -5.456 18.657 8.309 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -4.872 19.807 7.083 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -6.451 19.012 6.877 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.999 18.044 2.163 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.779 18.304 0.736 1.00 1.01 C ATOM 2357 C LEU B 50 -5.725 17.428 -0.090 1.00 0.92 C ATOM 2358 O LEU B 50 -5.293 16.687 -0.973 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.324 18.026 0.345 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.964 18.384 -1.099 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -3.108 19.881 -1.331 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.551 17.927 -1.428 1.00 2.24 C ATOM 0 H LEU B 50 -4.383 17.332 2.556 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.985 19.355 0.535 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.670 18.583 1.016 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.116 16.968 0.504 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.656 17.865 -1.763 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.848 20.116 -2.363 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -4.138 20.182 -1.139 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.441 20.419 -0.657 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -1.314 18.191 -2.459 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.845 18.416 -0.757 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.480 16.846 -1.304 1.00 2.24 H new ATOM 2374 N LYS B 51 -7.012 17.527 0.208 1.00 0.85 N ATOM 2375 CA LYS B 51 -8.040 16.723 -0.431 1.00 0.80 C ATOM 2376 C LYS B 51 -8.174 16.974 -1.926 1.00 0.89 C ATOM 2377 O LYS B 51 -7.723 17.991 -2.454 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.357 17.043 0.247 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.433 15.988 0.087 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.798 16.634 -0.136 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.155 17.599 0.991 1.00 2.68 C ATOM 2382 NZ LYS B 51 -12.699 18.885 0.475 1.00 3.58 N ATOM 0 H LYS B 51 -7.374 18.175 0.908 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.759 15.675 -0.324 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.173 17.195 1.311 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.733 17.986 -0.149 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.191 15.340 -0.755 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.465 15.357 0.975 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.797 17.168 -1.086 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.561 15.859 -0.207 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.889 17.133 1.648 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.268 17.796 1.593 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -12.785 19.565 1.258 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -12.057 19.268 -0.248 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -13.636 18.722 0.054 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.815 16.018 -2.594 1.00 0.92 N ATOM 2397 CA ASP B 52 -9.074 16.090 -4.016 1.00 1.17 C ATOM 2398 C ASP B 52 -10.554 16.385 -4.261 1.00 1.24 C ATOM 2399 O ASP B 52 -10.931 16.792 -5.359 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.677 14.775 -4.693 1.00 1.29 C ATOM 2401 CG ASP B 52 -8.999 14.767 -6.174 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -8.169 15.262 -6.965 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -10.082 14.265 -6.543 1.00 2.61 O ATOM 0 H ASP B 52 -9.169 15.169 -2.154 1.00 0.92 H new ATOM 0 HA ASP B 52 -8.477 16.896 -4.444 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.609 14.607 -4.555 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -9.195 13.948 -4.207 1.00 1.29 H new ATOM 2408 N VAL B 53 -11.397 16.158 -3.235 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.818 16.424 -3.338 1.00 1.27 C ATOM 2410 C VAL B 53 -13.499 15.447 -4.284 1.00 1.24 C ATOM 2411 O VAL B 53 -13.871 15.787 -5.407 1.00 1.46 O ATOM 2412 CB VAL B 53 -13.071 17.870 -3.781 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -14.556 18.138 -3.999 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -12.500 18.841 -2.762 1.00 1.92 C ATOM 0 H VAL B 53 -11.104 15.790 -2.330 1.00 1.14 H new ATOM 0 HA VAL B 53 -13.252 16.286 -2.348 1.00 1.27 H new ATOM 0 HB VAL B 53 -12.565 18.019 -4.735 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -14.697 19.173 -4.312 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -14.937 17.470 -4.772 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -15.098 17.963 -3.069 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -12.687 19.864 -3.089 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.977 18.677 -1.796 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -11.426 18.681 -2.669 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.618 14.214 -3.816 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.277 13.168 -4.571 1.00 1.09 C ATOM 2426 C GLY B 54 -15.509 13.645 -5.303 1.00 1.13 C ATOM 2427 O GLY B 54 -16.379 14.299 -4.726 1.00 1.23 O ATOM 0 H GLY B 54 -13.262 13.915 -2.908 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.573 12.751 -5.292 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.555 12.361 -3.894 1.00 1.09 H new ATOM 2431 N SER B 55 -15.575 13.315 -6.578 1.00 1.16 N ATOM 2432 CA SER B 55 -16.695 13.694 -7.411 1.00 1.24 C ATOM 2433 C SER B 55 -17.867 12.750 -7.189 1.00 1.10 C ATOM 2434 O SER B 55 -17.696 11.531 -7.150 1.00 1.09 O ATOM 2435 CB SER B 55 -16.246 13.682 -8.860 1.00 1.40 C ATOM 2436 OG SER B 55 -17.094 14.479 -9.670 1.00 1.62 O ATOM 0 H SER B 55 -14.855 12.778 -7.063 1.00 1.16 H new ATOM 0 HA SER B 55 -17.033 14.697 -7.148 1.00 1.24 H new ATOM 0 HB2 SER B 55 -15.223 14.051 -8.929 1.00 1.40 H new ATOM 0 HB3 SER B 55 -16.241 12.658 -9.233 1.00 1.40 H new ATOM 0 HG SER B 55 -16.779 14.453 -10.598 1.00 1.62 H new ATOM 2442 N LEU B 56 -19.059 13.317 -7.046 1.00 1.15 N ATOM 2443 CA LEU B 56 -20.264 12.530 -6.798 1.00 1.10 C ATOM 2444 C LEU B 56 -20.311 11.263 -7.650 1.00 0.98 C ATOM 2445 O LEU B 56 -20.532 10.169 -7.129 1.00 0.97 O ATOM 2446 CB LEU B 56 -21.520 13.376 -7.034 1.00 1.28 C ATOM 2447 CG LEU B 56 -21.758 13.823 -8.481 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -23.109 14.511 -8.606 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -20.648 14.752 -8.950 1.00 2.83 C ATOM 0 H LEU B 56 -19.219 14.323 -7.098 1.00 1.15 H new ATOM 0 HA LEU B 56 -20.234 12.220 -5.753 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -22.388 12.806 -6.702 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -21.462 14.263 -6.404 1.00 1.28 H new ATOM 0 HG LEU B 56 -21.754 12.937 -9.116 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -23.264 14.823 -9.639 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -23.898 13.819 -8.313 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -23.134 15.385 -7.955 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -20.839 15.056 -9.979 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -20.618 15.634 -8.311 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -19.691 14.232 -8.896 1.00 2.83 H new ATOM 2461 N ASP B 57 -20.107 11.407 -8.952 1.00 1.00 N ATOM 2462 CA ASP B 57 -20.126 10.257 -9.843 1.00 1.01 C ATOM 2463 C ASP B 57 -18.941 9.364 -9.586 1.00 0.95 C ATOM 2464 O ASP B 57 -19.058 8.143 -9.507 1.00 0.97 O ATOM 2465 CB ASP B 57 -20.100 10.689 -11.297 1.00 1.15 C ATOM 2466 CG ASP B 57 -21.487 10.888 -11.875 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -22.087 9.894 -12.334 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -21.972 12.039 -11.870 1.00 2.48 O ATOM 0 H ASP B 57 -19.928 12.300 -9.411 1.00 1.00 H new ATOM 0 HA ASP B 57 -21.049 9.712 -9.645 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.538 11.619 -11.385 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -19.570 9.939 -11.885 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.804 10.002 -9.445 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.547 9.312 -9.195 1.00 0.95 C ATOM 2475 C GLU B 58 -16.728 8.353 -8.042 1.00 0.87 C ATOM 2476 O GLU B 58 -16.201 7.241 -8.039 1.00 0.90 O ATOM 2477 CB GLU B 58 -15.444 10.316 -8.859 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.102 9.661 -8.568 1.00 1.44 C ATOM 2479 CD GLU B 58 -13.029 10.664 -8.195 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.400 11.230 -9.114 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -12.816 10.884 -6.984 1.00 2.29 O ATOM 0 H GLU B 58 -17.717 11.017 -9.499 1.00 0.94 H new ATOM 0 HA GLU B 58 -16.257 8.764 -10.092 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.329 11.010 -9.691 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.749 10.904 -7.993 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -14.221 8.944 -7.756 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -13.779 9.099 -9.444 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.494 8.808 -7.065 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.781 8.014 -5.898 1.00 0.76 C ATOM 2490 C LYS B 59 -18.673 6.839 -6.249 1.00 0.80 C ATOM 2491 O LYS B 59 -18.631 5.808 -5.589 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.428 8.879 -4.821 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.455 9.875 -4.209 1.00 0.75 C ATOM 2494 CD LYS B 59 -18.033 11.283 -4.165 1.00 1.14 C ATOM 2495 CE LYS B 59 -19.079 11.423 -3.073 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.640 12.801 -3.008 1.00 2.67 N ATOM 0 H LYS B 59 -17.928 9.731 -7.064 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.842 7.618 -5.511 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -19.272 9.418 -5.252 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.827 8.237 -4.036 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.198 9.557 -3.199 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.531 9.880 -4.786 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -17.231 12.001 -3.996 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -18.479 11.524 -5.130 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.886 10.712 -3.251 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.635 11.167 -2.111 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.030 12.973 -2.059 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -18.887 13.492 -3.203 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -20.395 12.902 -3.716 1.00 2.67 H new ATOM 2510 N MET B 60 -19.481 7.010 -7.288 1.00 0.86 N ATOM 2511 CA MET B 60 -20.389 5.956 -7.737 1.00 0.92 C ATOM 2512 C MET B 60 -19.681 4.943 -8.632 1.00 0.96 C ATOM 2513 O MET B 60 -19.943 3.744 -8.555 1.00 1.01 O ATOM 2514 CB MET B 60 -21.582 6.567 -8.475 1.00 1.00 C ATOM 2515 CG MET B 60 -22.423 7.492 -7.609 1.00 1.01 C ATOM 2516 SD MET B 60 -23.205 6.633 -6.229 1.00 1.74 S ATOM 2517 CE MET B 60 -24.041 7.991 -5.411 1.00 2.31 C ATOM 0 H MET B 60 -19.528 7.868 -7.837 1.00 0.86 H new ATOM 0 HA MET B 60 -20.744 5.426 -6.853 1.00 0.92 H new ATOM 0 HB2 MET B 60 -21.218 7.123 -9.339 1.00 1.00 H new ATOM 0 HB3 MET B 60 -22.214 5.764 -8.855 1.00 1.00 H new ATOM 0 HG2 MET B 60 -21.793 8.294 -7.223 1.00 1.01 H new ATOM 0 HG3 MET B 60 -23.192 7.959 -8.224 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.571 7.617 -4.535 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.308 8.736 -5.101 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.753 8.447 -6.099 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.782 5.431 -9.478 1.00 0.97 N ATOM 2528 CA LYS B 61 -18.046 4.556 -10.396 1.00 1.02 C ATOM 2529 C LYS B 61 -17.014 3.748 -9.641 1.00 0.96 C ATOM 2530 O LYS B 61 -16.920 2.530 -9.791 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.332 5.348 -11.502 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.808 6.779 -11.677 1.00 1.55 C ATOM 2533 CD LYS B 61 -17.192 7.419 -12.912 1.00 2.08 C ATOM 2534 CE LYS B 61 -17.674 8.849 -13.102 1.00 2.60 C ATOM 2535 NZ LYS B 61 -17.046 9.492 -14.290 1.00 3.16 N ATOM 0 H LYS B 61 -18.543 6.420 -9.551 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.781 3.897 -10.858 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -16.263 5.360 -11.287 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -17.461 4.820 -12.447 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -18.895 6.796 -11.760 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.547 7.362 -10.794 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -16.106 7.409 -12.824 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -17.445 6.829 -13.793 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -18.758 8.855 -13.216 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -17.444 9.431 -12.210 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -17.400 10.465 -14.386 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -16.013 9.509 -14.170 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -17.286 8.951 -15.145 1.00 3.16 H new ATOM 2549 N THR B 62 -16.246 4.442 -8.822 1.00 0.99 N ATOM 2550 CA THR B 62 -15.193 3.818 -8.049 1.00 0.96 C ATOM 2551 C THR B 62 -15.676 2.560 -7.338 1.00 0.87 C ATOM 2552 O THR B 62 -14.878 1.677 -7.025 1.00 0.84 O ATOM 2553 CB THR B 62 -14.604 4.800 -7.027 1.00 1.03 C ATOM 2554 OG1 THR B 62 -14.091 5.950 -7.705 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.499 4.142 -6.219 1.00 1.05 C ATOM 0 H THR B 62 -16.335 5.448 -8.676 1.00 0.99 H new ATOM 0 HA THR B 62 -14.414 3.529 -8.755 1.00 0.96 H new ATOM 0 HB THR B 62 -15.396 5.103 -6.342 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.819 6.399 -8.184 1.00 1.13 H new ATOM 0 HG21 THR B 62 -13.097 4.858 -5.502 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.902 3.281 -5.686 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.704 3.815 -6.889 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.981 2.468 -7.081 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.529 1.286 -6.423 1.00 0.83 C ATOM 2565 C LEU B 63 -17.060 0.031 -7.142 1.00 0.80 C ATOM 2566 O LEU B 63 -16.163 -0.674 -6.679 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.057 1.303 -6.416 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.709 2.066 -5.265 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -19.932 3.509 -5.656 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -21.024 1.414 -4.870 1.00 1.41 C ATOM 0 H LEU B 63 -17.667 3.186 -7.315 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.175 1.291 -5.392 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.401 1.737 -7.355 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.413 0.273 -6.392 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.040 2.036 -4.405 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -20.397 4.043 -4.827 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -18.975 3.973 -5.895 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.585 3.553 -6.528 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.474 1.971 -4.048 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.702 1.415 -5.724 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.840 0.387 -4.554 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.666 -0.227 -8.293 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.305 -1.393 -9.090 1.00 0.81 C ATOM 2584 C ASP B 64 -15.797 -1.433 -9.313 1.00 0.81 C ATOM 2585 O ASP B 64 -15.193 -2.504 -9.347 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.037 -1.375 -10.430 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.544 -1.349 -10.266 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.142 -2.432 -10.095 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -20.126 -0.244 -10.306 1.00 2.05 O ATOM 0 H ASP B 64 -18.405 0.350 -8.694 1.00 0.78 H new ATOM 0 HA ASP B 64 -17.604 -2.289 -8.546 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -17.721 -0.502 -11.001 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -17.752 -2.254 -11.008 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.194 -0.255 -9.465 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.753 -0.162 -9.661 1.00 0.87 C ATOM 2596 C VAL B 65 -13.038 -0.834 -8.499 1.00 0.77 C ATOM 2597 O VAL B 65 -12.475 -1.918 -8.648 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.284 1.302 -9.773 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.773 1.368 -9.946 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.988 1.999 -10.927 1.00 1.07 C ATOM 0 H VAL B 65 -15.680 0.642 -9.456 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.510 -0.665 -10.597 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.544 1.819 -8.850 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.461 2.409 -10.023 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.288 0.907 -9.086 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.487 0.835 -10.853 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.645 3.032 -10.992 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.759 1.482 -11.859 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.065 1.984 -10.759 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.064 -0.185 -7.336 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.447 -0.739 -6.136 1.00 0.67 C ATOM 2612 C ASN B 66 -13.381 -1.713 -5.420 1.00 0.56 C ATOM 2613 O ASN B 66 -13.287 -1.876 -4.206 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.045 0.363 -5.164 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.360 1.537 -5.842 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -11.449 2.672 -5.373 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.658 1.273 -6.942 1.00 1.10 N ATOM 0 H ASN B 66 -13.506 0.724 -7.201 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.557 -1.277 -6.464 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.933 0.720 -4.642 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -11.377 -0.053 -4.409 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.169 2.025 -7.428 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.609 0.319 -7.299 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.296 -2.344 -6.156 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.227 -3.307 -5.577 1.00 0.68 C ATOM 2626 C GLN B 67 -14.504 -4.202 -4.572 1.00 0.61 C ATOM 2627 O GLN B 67 -14.873 -4.258 -3.399 1.00 0.66 O ATOM 2628 CB GLN B 67 -15.879 -4.106 -6.716 1.00 0.90 C ATOM 2629 CG GLN B 67 -16.460 -5.457 -6.318 1.00 0.74 C ATOM 2630 CD GLN B 67 -15.412 -6.539 -6.099 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -15.560 -7.378 -5.209 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -14.360 -6.548 -6.919 1.00 1.44 N ATOM 0 H GLN B 67 -14.411 -2.203 -7.160 1.00 0.63 H new ATOM 0 HA GLN B 67 -16.016 -2.795 -5.026 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -16.675 -3.502 -7.152 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -15.136 -4.265 -7.497 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -17.040 -5.337 -5.403 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -17.152 -5.787 -7.093 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -14.273 -5.836 -7.644 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -13.643 -7.267 -6.821 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.475 -4.898 -5.036 1.00 0.59 N ATOM 2642 CA ASP B 68 -12.671 -5.737 -4.165 1.00 0.62 C ATOM 2643 C ASP B 68 -11.553 -4.925 -3.516 1.00 0.59 C ATOM 2644 O ASP B 68 -10.459 -5.446 -3.299 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.076 -6.915 -4.928 1.00 0.73 C ATOM 2646 CG ASP B 68 -12.876 -8.187 -4.746 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -12.829 -8.758 -3.641 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -13.541 -8.616 -5.713 1.00 1.50 O ATOM 0 H ASP B 68 -13.179 -4.897 -6.012 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.327 -6.126 -3.386 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.027 -6.669 -5.989 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -11.053 -7.082 -4.592 1.00 0.73 H new ATOM 2653 N SER B 69 -11.810 -3.653 -3.187 1.00 0.56 N ATOM 2654 CA SER B 69 -10.777 -2.815 -2.572 1.00 0.58 C ATOM 2655 C SER B 69 -10.102 -3.555 -1.434 1.00 0.62 C ATOM 2656 O SER B 69 -8.975 -3.251 -1.065 1.00 0.74 O ATOM 2657 CB SER B 69 -11.365 -1.507 -2.049 1.00 0.66 C ATOM 2658 OG SER B 69 -10.350 -0.655 -1.549 1.00 1.74 O ATOM 0 H SER B 69 -12.707 -3.190 -3.333 1.00 0.56 H new ATOM 0 HA SER B 69 -10.041 -2.583 -3.341 1.00 0.58 H new ATOM 0 HB2 SER B 69 -11.906 -1.002 -2.849 1.00 0.66 H new ATOM 0 HB3 SER B 69 -12.087 -1.719 -1.261 1.00 0.66 H new ATOM 0 HG SER B 69 -10.332 0.174 -2.071 1.00 1.74 H new ATOM 2664 N GLU B 70 -10.819 -4.508 -0.870 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.293 -5.332 0.195 1.00 0.76 C ATOM 2666 C GLU B 70 -10.478 -6.765 -0.184 1.00 0.77 C ATOM 2667 O GLU B 70 -11.290 -7.099 -1.046 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.019 -5.089 1.515 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.031 -6.310 2.452 1.00 1.33 C ATOM 2670 CD GLU B 70 -11.774 -6.103 3.734 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -12.491 -5.088 3.855 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -11.653 -6.975 4.620 1.00 2.73 O ATOM 0 H GLU B 70 -11.778 -4.730 -1.137 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.241 -5.081 0.332 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.547 -4.252 2.030 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.047 -4.794 1.304 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -11.474 -7.154 1.923 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -10.002 -6.584 2.684 1.00 1.33 H new ATOM 2679 N LEU B 71 -9.720 -7.612 0.457 1.00 0.79 N ATOM 2680 CA LEU B 71 -9.849 -8.980 0.218 1.00 0.83 C ATOM 2681 C LEU B 71 -9.611 -9.855 1.448 1.00 0.81 C ATOM 2682 O LEU B 71 -8.731 -9.592 2.256 1.00 0.86 O ATOM 2683 CB LEU B 71 -8.877 -9.304 -0.869 1.00 0.99 C ATOM 2684 CG LEU B 71 -8.742 -10.743 -1.192 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -7.893 -11.494 -0.182 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.109 -11.328 -1.400 1.00 1.25 C ATOM 0 H LEU B 71 -9.012 -7.356 1.145 1.00 0.79 H new ATOM 0 HA LEU B 71 -10.878 -9.199 -0.067 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.178 -8.773 -1.772 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -7.898 -8.919 -0.584 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.188 -10.852 -2.124 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -7.829 -12.543 -0.469 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -6.892 -11.063 -0.156 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.348 -11.415 0.806 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.019 -12.388 -1.638 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -10.698 -11.210 -0.490 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -10.604 -10.812 -2.223 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.450 -10.864 1.597 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.290 -11.881 2.623 1.00 0.80 C ATOM 2700 C ARG B 72 -9.863 -13.174 1.915 1.00 0.69 C ATOM 2701 O ARG B 72 -9.124 -13.988 2.466 1.00 0.76 O ATOM 2702 CB ARG B 72 -11.593 -12.131 3.387 1.00 0.91 C ATOM 2703 CG ARG B 72 -12.479 -10.917 3.540 1.00 1.00 C ATOM 2704 CD ARG B 72 -11.710 -9.719 4.042 1.00 1.06 C ATOM 2705 NE ARG B 72 -10.833 -10.060 5.157 1.00 1.30 N ATOM 2706 CZ ARG B 72 -9.779 -9.336 5.511 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -9.474 -8.237 4.837 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.030 -9.709 6.541 1.00 1.42 N ATOM 0 H ARG B 72 -11.269 -11.003 1.005 1.00 0.77 H new ATOM 0 HA ARG B 72 -9.548 -11.548 3.349 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.155 -12.911 2.874 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.349 -12.513 4.378 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -12.937 -10.678 2.580 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.290 -11.144 4.232 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.116 -9.302 3.228 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.410 -8.944 4.355 1.00 1.06 H new ATOM 0 HE ARG B 72 -11.042 -10.902 5.694 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -10.049 -7.948 4.046 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -8.664 -7.680 5.109 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -9.264 -10.554 7.062 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -8.220 -9.151 6.811 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.328 -13.323 0.656 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.016 -14.486 -0.175 1.00 0.57 C ATOM 2724 C PHE B 73 -8.822 -14.246 -1.180 1.00 0.52 C ATOM 2725 O PHE B 73 -7.692 -14.215 -0.743 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.325 -15.027 -0.826 1.00 0.65 C ATOM 2727 CG PHE B 73 -11.900 -14.293 -2.026 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.295 -12.968 -1.950 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -12.042 -14.941 -3.244 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -12.801 -12.300 -3.031 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.559 -14.278 -4.344 1.00 1.32 C ATOM 2732 CZ PHE B 73 -12.938 -12.952 -4.238 1.00 0.87 C ATOM 0 H PHE B 73 -10.928 -12.638 0.196 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.625 -15.276 0.466 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.143 -16.059 -1.126 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.093 -15.050 -0.053 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.201 -12.446 -1.009 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.746 -15.976 -3.336 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.093 -11.264 -2.939 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.666 -14.796 -5.285 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.339 -12.431 -5.095 1.00 0.87 H new ATOM 2742 N SER B 74 -9.029 -13.980 -2.483 1.00 0.48 N ATOM 2743 CA SER B 74 -7.874 -13.847 -3.413 1.00 0.48 C ATOM 2744 C SER B 74 -7.733 -12.479 -4.041 1.00 0.42 C ATOM 2745 O SER B 74 -6.672 -12.135 -4.563 1.00 0.46 O ATOM 2746 CB SER B 74 -7.927 -14.883 -4.534 1.00 0.63 C ATOM 2747 OG SER B 74 -9.264 -15.205 -4.875 1.00 1.03 O ATOM 0 H SER B 74 -9.946 -13.855 -2.912 1.00 0.48 H new ATOM 0 HA SER B 74 -7.005 -14.013 -2.777 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.408 -14.499 -5.412 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.401 -15.786 -4.223 1.00 0.63 H new ATOM 0 HG SER B 74 -9.267 -15.869 -5.596 1.00 1.03 H new ATOM 2753 N GLU B 75 -8.782 -11.705 -4.000 1.00 0.43 N ATOM 2754 CA GLU B 75 -8.774 -10.355 -4.569 1.00 0.42 C ATOM 2755 C GLU B 75 -7.844 -9.369 -3.825 1.00 0.42 C ATOM 2756 O GLU B 75 -8.063 -8.160 -3.892 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.195 -9.811 -4.528 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.218 -10.733 -5.168 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.274 -10.589 -6.676 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -11.475 -9.454 -7.158 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.112 -11.611 -7.376 1.00 1.41 O ATOM 0 H GLU B 75 -9.670 -11.976 -3.577 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.391 -10.439 -5.586 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.477 -9.634 -3.490 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.221 -8.846 -5.035 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -10.979 -11.766 -4.915 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.202 -10.522 -4.750 1.00 0.59 H new ATOM 2768 N TYR B 76 -6.807 -9.862 -3.125 1.00 0.38 N ATOM 2769 CA TYR B 76 -5.934 -8.981 -2.383 1.00 0.38 C ATOM 2770 C TYR B 76 -5.178 -8.093 -3.348 1.00 0.39 C ATOM 2771 O TYR B 76 -4.725 -7.005 -2.996 1.00 0.42 O ATOM 2772 CB TYR B 76 -4.968 -9.751 -1.478 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.347 -9.748 -0.023 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -5.886 -8.626 0.568 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.214 -10.894 0.740 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -6.282 -8.631 1.880 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -5.612 -10.918 2.057 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.148 -9.783 2.627 1.00 0.48 C ATOM 2779 OH TYR B 76 -6.548 -9.798 3.944 1.00 0.54 O ATOM 0 H TYR B 76 -6.568 -10.852 -3.067 1.00 0.38 H new ATOM 0 HA TYR B 76 -6.550 -8.365 -1.727 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -4.909 -10.783 -1.824 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -3.971 -9.323 -1.583 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -5.999 -7.724 -0.015 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.792 -11.783 0.296 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -6.696 -7.739 2.326 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.505 -11.820 2.641 1.00 1.29 H new ATOM 0 HH TYR B 76 -7.526 -9.747 3.990 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.040 -8.583 -4.578 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.376 -7.828 -5.631 1.00 0.43 C ATOM 2791 C TRP B 77 -5.075 -6.487 -5.848 1.00 0.45 C ATOM 2792 O TRP B 77 -4.528 -5.601 -6.496 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.400 -8.630 -6.931 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.791 -8.818 -7.445 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.625 -7.842 -7.893 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.523 -10.046 -7.536 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -7.824 -8.380 -8.266 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.791 -9.733 -8.058 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.232 -11.375 -7.234 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.766 -10.702 -8.280 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.197 -12.337 -7.452 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.451 -11.997 -7.970 1.00 0.56 C ATOM 0 H TRP B 77 -5.380 -9.500 -4.867 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.344 -7.644 -5.332 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -3.801 -8.118 -7.684 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -3.940 -9.604 -6.765 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.375 -6.793 -7.946 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.617 -7.858 -8.639 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.266 -11.648 -6.835 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.734 -10.441 -8.682 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.981 -13.369 -7.219 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.186 -12.773 -8.129 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.301 -6.350 -5.339 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.030 -5.110 -5.481 1.00 0.47 C ATOM 2815 C ARG B 78 -6.492 -4.092 -4.498 1.00 0.49 C ATOM 2816 O ARG B 78 -6.318 -2.916 -4.816 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.519 -5.348 -5.268 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.184 -6.026 -6.450 1.00 0.61 C ATOM 2819 CD ARG B 78 -9.484 -5.049 -7.574 1.00 0.77 C ATOM 2820 NE ARG B 78 -8.274 -4.594 -8.256 1.00 1.49 N ATOM 2821 CZ ARG B 78 -8.176 -3.432 -8.898 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -9.216 -2.611 -8.961 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -7.036 -3.095 -9.487 1.00 2.83 N ATOM 0 H ARG B 78 -6.798 -7.082 -4.831 1.00 0.43 H new ATOM 0 HA ARG B 78 -6.896 -4.721 -6.490 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -8.660 -5.961 -4.378 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.011 -4.394 -5.079 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.537 -6.820 -6.823 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.111 -6.497 -6.123 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.148 -5.524 -8.296 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -10.016 -4.187 -7.170 1.00 0.77 H new ATOM 0 HE ARG B 78 -7.456 -5.203 -8.239 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -10.097 -2.869 -8.516 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -9.135 -1.722 -9.454 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -6.236 -3.726 -9.448 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -6.960 -2.205 -9.979 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.216 -4.582 -3.305 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.649 -3.776 -2.239 1.00 0.45 C ATOM 2839 C LEU B 79 -4.322 -3.211 -2.700 1.00 0.46 C ATOM 2840 O LEU B 79 -3.847 -2.196 -2.189 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.430 -4.642 -0.999 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.695 -5.122 -0.293 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -7.387 -6.214 -1.076 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -6.381 -5.575 1.128 1.00 0.88 C ATOM 0 H LEU B 79 -6.379 -5.555 -3.046 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.332 -2.963 -1.992 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.844 -5.515 -1.287 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -4.830 -4.077 -0.285 1.00 0.53 H new ATOM 0 HG LEU B 79 -7.384 -4.280 -0.235 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -8.284 -6.531 -0.543 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -7.664 -5.836 -2.060 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -6.713 -7.063 -1.190 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.297 -5.913 1.613 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -5.662 -6.394 1.098 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -5.959 -4.742 1.690 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.731 -3.885 -3.679 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.471 -3.476 -4.250 1.00 0.48 C ATOM 2858 C ILE B 80 -2.512 -1.974 -4.592 1.00 0.48 C ATOM 2859 O ILE B 80 -1.665 -1.198 -4.148 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.150 -4.381 -5.486 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.659 -4.712 -5.533 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -2.585 -3.746 -6.801 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.325 -5.864 -6.454 1.00 1.16 C ATOM 0 H ILE B 80 -4.120 -4.732 -4.095 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.661 -3.608 -3.532 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.723 -5.300 -5.363 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.109 -3.828 -5.856 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.316 -4.951 -4.526 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.340 -4.414 -7.626 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -3.661 -3.572 -6.783 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.066 -2.797 -6.936 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.750 -6.043 -6.438 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.847 -6.760 -6.120 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.637 -5.620 -7.470 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.519 -1.572 -5.363 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.672 -0.173 -5.725 1.00 0.49 C ATOM 2877 C GLY B 81 -4.372 0.644 -4.645 1.00 0.43 C ATOM 2878 O GLY B 81 -4.486 1.864 -4.761 1.00 0.43 O ATOM 0 H GLY B 81 -4.234 -2.192 -5.744 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.689 0.257 -5.919 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.240 -0.103 -6.653 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.846 -0.028 -3.593 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.547 0.639 -2.501 1.00 0.39 C ATOM 2884 C GLU B 82 -4.573 1.282 -1.540 1.00 0.33 C ATOM 2885 O GLU B 82 -4.564 2.499 -1.366 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.396 -0.358 -1.745 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.538 -0.937 -2.565 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.275 0.117 -3.370 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -8.986 0.943 -2.759 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.142 0.117 -4.612 1.00 1.48 O ATOM 0 H GLU B 82 -4.755 -1.037 -3.477 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.179 1.414 -2.935 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.761 -1.173 -1.398 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.806 0.126 -0.859 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.145 -1.696 -3.242 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.241 -1.437 -1.899 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.747 0.451 -0.913 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.755 0.942 0.027 1.00 0.35 C ATOM 2899 C LEU B 83 -1.948 2.042 -0.627 1.00 0.34 C ATOM 2900 O LEU B 83 -1.386 2.909 0.043 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.820 -0.181 0.470 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.407 -1.177 1.469 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.700 -1.780 0.940 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.395 -2.270 1.776 1.00 1.31 C ATOM 0 H LEU B 83 -3.747 -0.561 -1.040 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.270 1.328 0.906 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.497 -0.730 -0.415 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.929 0.266 0.911 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.637 -0.643 2.391 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -4.098 -2.486 1.670 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.428 -0.987 0.768 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.502 -2.300 0.003 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.825 -2.974 2.489 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -1.138 -2.796 0.857 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.496 -1.824 2.203 1.00 1.31 H new ATOM 2916 N ALA B 84 -1.898 1.994 -1.950 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.166 2.984 -2.705 1.00 0.37 C ATOM 2918 C ALA B 84 -1.882 4.330 -2.741 1.00 0.41 C ATOM 2919 O ALA B 84 -1.236 5.376 -2.664 1.00 0.47 O ATOM 2920 CB ALA B 84 -0.923 2.488 -4.106 1.00 0.41 C ATOM 0 H ALA B 84 -2.356 1.280 -2.516 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.212 3.139 -2.200 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.370 3.241 -4.668 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.344 1.565 -4.070 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -1.878 2.298 -4.596 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.219 4.304 -2.872 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.030 5.537 -2.895 1.00 0.51 C ATOM 2928 C LYS B 85 -3.492 6.520 -1.910 1.00 0.50 C ATOM 2929 O LYS B 85 -3.141 7.637 -2.257 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.490 5.210 -2.588 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.043 4.088 -3.456 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.541 3.907 -3.276 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.939 3.862 -1.807 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.147 2.862 -1.043 1.00 2.69 N ATOM 0 H LYS B 85 -3.762 3.445 -2.964 1.00 0.42 H new ATOM 0 HA LYS B 85 -3.978 5.980 -3.890 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.581 4.929 -1.539 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.095 6.105 -2.732 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -5.828 4.302 -4.503 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -5.534 3.156 -3.210 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.067 4.725 -3.769 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.856 2.985 -3.765 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -7.801 4.848 -1.364 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -8.999 3.622 -1.726 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -7.378 2.935 -0.032 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -7.376 1.906 -1.382 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -6.132 3.044 -1.180 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.323 6.036 -0.724 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.818 6.840 0.365 1.00 0.45 C ATOM 2950 C GLU B 86 -1.503 7.496 -0.003 1.00 0.44 C ATOM 2951 O GLU B 86 -1.356 8.715 0.071 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.598 5.992 1.606 1.00 0.48 C ATOM 2953 CG GLU B 86 -3.641 4.917 1.817 1.00 0.98 C ATOM 2954 CD GLU B 86 -5.055 5.466 1.796 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -5.345 6.390 2.584 1.00 2.60 O ATOM 2956 OE2 GLU B 86 -5.873 4.971 0.992 1.00 2.90 O ATOM 0 H GLU B 86 -3.529 5.070 -0.471 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.565 7.608 0.567 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.617 5.522 1.542 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -2.583 6.644 2.479 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.538 4.158 1.041 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -3.461 4.423 2.772 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.546 6.670 -0.400 1.00 0.44 N ATOM 2964 CA VAL B 87 0.774 7.159 -0.752 1.00 0.46 C ATOM 2965 C VAL B 87 0.815 7.763 -2.155 1.00 0.46 C ATOM 2966 O VAL B 87 1.875 8.170 -2.629 1.00 0.54 O ATOM 2967 CB VAL B 87 1.860 6.068 -0.616 1.00 0.55 C ATOM 2968 CG1 VAL B 87 3.162 6.709 -0.173 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.445 4.983 0.371 1.00 0.81 C ATOM 0 H VAL B 87 -0.661 5.660 -0.486 1.00 0.44 H new ATOM 0 HA VAL B 87 0.994 7.950 -0.035 1.00 0.46 H new ATOM 0 HB VAL B 87 1.993 5.593 -1.588 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.931 5.942 -0.076 1.00 1.01 H new ATOM 0 HG12 VAL B 87 3.475 7.445 -0.913 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.017 7.201 0.789 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.233 4.233 0.440 1.00 0.81 H new ATOM 0 HG22 VAL B 87 1.280 5.428 1.352 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.525 4.511 0.027 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.339 7.829 -2.816 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.418 8.410 -4.149 1.00 0.51 C ATOM 2981 C ARG B 88 -0.479 9.931 -4.058 1.00 0.50 C ATOM 2982 O ARG B 88 0.463 10.621 -4.444 1.00 0.58 O ATOM 2983 CB ARG B 88 -1.640 7.868 -4.892 1.00 0.56 C ATOM 2984 CG ARG B 88 -1.704 8.301 -6.348 1.00 0.67 C ATOM 2985 CD ARG B 88 -2.826 7.596 -7.092 1.00 1.33 C ATOM 2986 NE ARG B 88 -4.133 7.864 -6.499 1.00 1.83 N ATOM 2987 CZ ARG B 88 -5.268 7.351 -6.962 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.254 6.548 -8.017 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -6.420 7.641 -6.371 1.00 3.50 N ATOM 0 H ARG B 88 -1.228 7.488 -2.450 1.00 0.49 H new ATOM 0 HA ARG B 88 0.476 8.132 -4.707 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -1.631 6.779 -4.845 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.544 8.202 -4.382 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -1.853 9.380 -6.401 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -0.753 8.086 -6.834 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -2.828 7.918 -8.133 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -2.642 6.522 -7.091 1.00 1.33 H new ATOM 0 HE ARG B 88 -4.177 8.478 -5.686 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -4.371 6.323 -8.475 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.126 6.155 -8.371 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -6.436 8.259 -5.560 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -7.290 7.246 -6.728 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.591 10.447 -3.546 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.755 11.886 -3.389 1.00 0.49 C ATOM 3005 C LYS B 89 -0.610 12.449 -2.564 1.00 0.48 C ATOM 3006 O LYS B 89 -0.183 13.589 -2.747 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.081 12.195 -2.697 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.088 11.904 -1.196 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.352 11.167 -0.804 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.222 9.684 -1.015 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.047 9.232 -2.173 1.00 3.29 N ATOM 0 H LYS B 89 -2.388 9.893 -3.234 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.753 12.347 -4.377 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.323 13.246 -2.853 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.870 11.612 -3.172 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.215 11.307 -0.931 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.017 12.838 -0.638 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.579 11.367 0.243 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.190 11.545 -1.390 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.177 9.428 -1.188 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -4.535 9.157 -0.114 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -4.508 8.544 -2.736 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.920 8.787 -1.825 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -5.289 10.051 -2.767 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.128 11.622 -1.650 1.00 0.47 N ATOM 3026 CA GLU B 90 0.955 11.991 -0.771 1.00 0.52 C ATOM 3027 C GLU B 90 2.256 12.175 -1.549 1.00 0.56 C ATOM 3028 O GLU B 90 3.246 12.665 -1.008 1.00 0.62 O ATOM 3029 CB GLU B 90 1.095 10.923 0.309 1.00 0.56 C ATOM 3030 CG GLU B 90 0.039 11.036 1.395 1.00 0.62 C ATOM 3031 CD GLU B 90 0.182 12.305 2.213 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.919 12.282 3.221 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.442 13.323 1.845 1.00 1.93 O ATOM 0 H GLU B 90 -0.481 10.677 -1.502 1.00 0.47 H new ATOM 0 HA GLU B 90 0.734 12.949 -0.300 1.00 0.52 H new ATOM 0 HB2 GLU B 90 1.030 9.937 -0.152 1.00 0.56 H new ATOM 0 HB3 GLU B 90 2.084 10.999 0.762 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.951 11.011 0.939 1.00 0.62 H new ATOM 0 HG3 GLU B 90 0.108 10.172 2.056 1.00 0.62 H new ATOM 3040 N LYS B 91 2.253 11.776 -2.823 1.00 0.54 N ATOM 3041 CA LYS B 91 3.426 11.933 -3.664 1.00 0.61 C ATOM 3042 C LYS B 91 3.760 13.410 -3.813 1.00 0.63 C ATOM 3043 O LYS B 91 4.921 13.809 -3.736 1.00 0.70 O ATOM 3044 CB LYS B 91 3.201 11.274 -5.030 1.00 0.62 C ATOM 3045 CG LYS B 91 2.385 12.102 -6.009 1.00 0.61 C ATOM 3046 CD LYS B 91 2.340 11.440 -7.377 1.00 0.67 C ATOM 3047 CE LYS B 91 1.516 12.251 -8.364 1.00 0.70 C ATOM 3048 NZ LYS B 91 2.101 13.600 -8.599 1.00 1.38 N ATOM 0 H LYS B 91 1.453 11.345 -3.286 1.00 0.54 H new ATOM 0 HA LYS B 91 4.273 11.435 -3.192 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.171 11.058 -5.478 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.700 10.318 -4.879 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.371 12.227 -5.628 1.00 0.61 H new ATOM 0 HG3 LYS B 91 2.818 13.098 -6.097 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.354 11.323 -7.759 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.917 10.440 -7.284 1.00 0.67 H new ATOM 0 HE2 LYS B 91 1.451 11.714 -9.310 1.00 0.70 H new ATOM 0 HE3 LYS B 91 0.499 12.357 -7.987 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.625 14.049 -9.407 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 1.971 14.187 -7.751 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 3.117 13.507 -8.803 1.00 1.38 H new ATOM 3062 N ALA B 92 2.726 14.213 -4.028 1.00 0.60 N ATOM 3063 CA ALA B 92 2.893 15.655 -4.176 1.00 0.65 C ATOM 3064 C ALA B 92 2.986 16.364 -2.829 1.00 0.63 C ATOM 3065 O ALA B 92 3.713 17.345 -2.692 1.00 0.69 O ATOM 3066 CB ALA B 92 1.755 16.236 -5.002 1.00 0.73 C ATOM 0 H ALA B 92 1.761 13.891 -4.104 1.00 0.60 H new ATOM 0 HA ALA B 92 3.836 15.822 -4.696 1.00 0.65 H new ATOM 0 HB1 ALA B 92 1.892 17.312 -5.104 1.00 0.73 H new ATOM 0 HB2 ALA B 92 1.750 15.775 -5.990 1.00 0.73 H new ATOM 0 HB3 ALA B 92 0.806 16.037 -4.504 1.00 0.73 H new ATOM 3072 N LEU B 93 2.242 15.884 -1.840 1.00 0.62 N ATOM 3073 CA LEU B 93 2.264 16.506 -0.521 1.00 0.65 C ATOM 3074 C LEU B 93 3.464 16.059 0.296 1.00 0.59 C ATOM 3075 O LEU B 93 3.920 16.783 1.180 1.00 0.63 O ATOM 3076 CB LEU B 93 0.996 16.200 0.259 1.00 0.74 C ATOM 3077 CG LEU B 93 0.930 16.900 1.616 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.483 17.374 1.915 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.429 15.978 2.718 1.00 0.95 C ATOM 0 H LEU B 93 1.624 15.077 -1.923 1.00 0.62 H new ATOM 0 HA LEU B 93 2.333 17.580 -0.692 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.132 16.497 -0.336 1.00 0.74 H new ATOM 0 HB3 LEU B 93 0.924 15.123 0.411 1.00 0.74 H new ATOM 0 HG LEU B 93 1.579 17.775 1.577 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.503 17.869 2.886 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.802 18.075 1.144 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.158 16.519 1.930 1.00 1.03 H new ATOM 0 HD21 LEU B 93 1.374 16.494 3.677 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.808 15.083 2.752 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.462 15.696 2.516 1.00 0.95 H new ATOM 3091 N GLY B 94 3.966 14.859 0.010 1.00 0.53 N ATOM 3092 CA GLY B 94 5.113 14.337 0.738 1.00 0.51 C ATOM 3093 C GLY B 94 6.170 15.394 0.969 1.00 0.52 C ATOM 3094 O GLY B 94 6.777 15.466 2.037 1.00 0.57 O ATOM 0 H GLY B 94 3.600 14.239 -0.712 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.782 13.940 1.698 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.547 13.506 0.182 1.00 0.51 H new ATOM 3098 N ILE B 95 6.388 16.213 -0.053 1.00 0.53 N ATOM 3099 CA ILE B 95 7.373 17.272 0.011 1.00 0.57 C ATOM 3100 C ILE B 95 6.966 18.354 0.981 1.00 0.60 C ATOM 3101 O ILE B 95 6.756 19.505 0.596 1.00 0.67 O ATOM 3102 CB ILE B 95 7.614 17.903 -1.364 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.291 18.225 -2.054 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.442 16.971 -2.202 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.432 19.184 -3.218 1.00 1.68 C ATOM 0 H ILE B 95 5.888 16.158 -0.941 1.00 0.53 H new ATOM 0 HA ILE B 95 8.296 16.809 0.359 1.00 0.57 H new ATOM 0 HB ILE B 95 8.154 18.841 -1.236 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.842 17.298 -2.410 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.604 18.652 -1.323 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.615 17.418 -3.181 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.399 16.793 -1.711 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.914 16.025 -2.323 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.452 19.367 -3.660 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.852 20.126 -2.865 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.093 18.751 -3.968 1.00 1.68 H new ATOM 3117 N ARG B 96 6.850 17.985 2.243 1.00 0.64 N ATOM 3118 CA ARG B 96 6.499 18.951 3.259 1.00 0.74 C ATOM 3119 C ARG B 96 7.580 20.024 3.328 1.00 0.82 C ATOM 3120 O ARG B 96 7.362 21.110 3.865 1.00 0.93 O ATOM 3121 CB ARG B 96 6.304 18.261 4.603 1.00 0.84 C ATOM 3122 CG ARG B 96 4.934 17.622 4.731 1.00 1.65 C ATOM 3123 CD ARG B 96 3.833 18.658 4.544 1.00 2.45 C ATOM 3124 NE ARG B 96 2.538 18.185 5.029 1.00 2.91 N ATOM 3125 CZ ARG B 96 1.396 18.840 4.838 1.00 3.85 C ATOM 3126 NH1 ARG B 96 1.388 19.988 4.176 1.00 4.47 N ATOM 3127 NH2 ARG B 96 0.259 18.347 5.313 1.00 4.48 N ATOM 0 H ARG B 96 6.992 17.034 2.583 1.00 0.64 H new ATOM 0 HA ARG B 96 5.554 19.430 3.002 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.071 17.498 4.731 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.440 18.987 5.404 1.00 0.84 H new ATOM 0 HG2 ARG B 96 4.826 16.832 3.988 1.00 1.65 H new ATOM 0 HG3 ARG B 96 4.836 17.154 5.711 1.00 1.65 H new ATOM 0 HD2 ARG B 96 4.104 19.572 5.072 1.00 2.45 H new ATOM 0 HD3 ARG B 96 3.752 18.912 3.487 1.00 2.45 H new ATOM 0 HE ARG B 96 2.508 17.304 5.542 1.00 2.91 H new ATOM 0 HH11 ARG B 96 2.259 20.372 3.811 1.00 4.47 H new ATOM 0 HH12 ARG B 96 0.510 20.487 4.032 1.00 4.47 H new ATOM 0 HH21 ARG B 96 0.260 17.465 5.825 1.00 4.48 H new ATOM 0 HH22 ARG B 96 -0.616 18.850 5.166 1.00 4.48 H new ATOM 3141 N LYS B 97 8.754 19.706 2.772 1.00 0.82 N ATOM 3142 CA LYS B 97 9.856 20.651 2.722 1.00 0.94 C ATOM 3143 C LYS B 97 9.847 21.370 1.383 1.00 0.93 C ATOM 3144 O LYS B 97 10.551 20.984 0.450 1.00 0.98 O ATOM 3145 CB LYS B 97 11.213 19.961 2.944 1.00 1.07 C ATOM 3146 CG LYS B 97 11.226 18.476 2.609 1.00 1.00 C ATOM 3147 CD LYS B 97 10.664 17.651 3.754 1.00 1.56 C ATOM 3148 CE LYS B 97 10.174 16.295 3.280 1.00 1.83 C ATOM 3149 NZ LYS B 97 9.965 15.354 4.416 1.00 2.90 N ATOM 0 H LYS B 97 8.958 18.799 2.352 1.00 0.82 H new ATOM 0 HA LYS B 97 9.721 21.371 3.529 1.00 0.94 H new ATOM 0 HB2 LYS B 97 11.966 20.464 2.338 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.505 20.088 3.986 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.640 18.299 1.707 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.246 18.158 2.394 1.00 1.00 H new ATOM 0 HD2 LYS B 97 11.432 17.515 4.516 1.00 1.56 H new ATOM 0 HD3 LYS B 97 9.842 18.192 4.223 1.00 1.56 H new ATOM 0 HE2 LYS B 97 9.239 16.417 2.733 1.00 1.83 H new ATOM 0 HE3 LYS B 97 10.897 15.870 2.584 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 9.474 14.503 4.076 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 10.886 15.085 4.818 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 9.389 15.816 5.148 1.00 2.90 H new ATOM 3163 N LYS B 98 9.032 22.413 1.297 1.00 0.96 N ATOM 3164 CA LYS B 98 8.908 23.193 0.074 1.00 1.06 C ATOM 3165 C LYS B 98 9.625 24.533 0.207 1.00 1.21 C ATOM 3166 O LYS B 98 10.825 24.597 -0.133 1.00 1.61 O ATOM 3167 CB LYS B 98 7.430 23.419 -0.253 1.00 1.07 C ATOM 3168 CG LYS B 98 6.579 22.163 -0.130 1.00 1.07 C ATOM 3169 CD LYS B 98 5.145 22.419 -0.561 1.00 1.52 C ATOM 3170 CE LYS B 98 4.309 21.152 -0.488 1.00 2.00 C ATOM 3171 NZ LYS B 98 2.922 21.371 -0.983 1.00 2.73 N ATOM 3172 OXT LYS B 98 8.981 25.506 0.650 1.00 1.70 O ATOM 0 H LYS B 98 8.444 22.739 2.064 1.00 0.96 H new ATOM 0 HA LYS B 98 9.375 22.635 -0.738 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.032 24.184 0.414 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.346 23.806 -1.268 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.008 21.370 -0.742 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.593 21.812 0.902 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.703 23.185 0.076 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.133 22.806 -1.580 1.00 1.52 H new ATOM 0 HE2 LYS B 98 4.785 20.369 -1.078 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.275 20.799 0.543 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.385 20.483 -0.916 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.458 22.100 -0.405 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 2.953 21.683 -1.975 1.00 2.73 H new TER 3186 LYS B 98