USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 819 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 15 MET CE :methyl -149:sc= -1.27 (180deg=-2.74) USER MOD Set 1.2: A 31 TYR OH : rot 180:sc= -2.54 USER MOD Single : A 1 VAL N :NH3+ -116:sc= -1.89 (180deg=-2.5!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.152 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= -3.3! USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -38:sc= 0.27 USER MOD Single : A 22 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.1) USER MOD Single : A 25 HIS : no HD1:sc= -3.08 X(o=-3.1,f=-2.6!) USER MOD Single : A 28 MET CE :methyl -142:sc= -3.7! (180deg=-4.89!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0.051) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.15 K(o=-1.1,f=-2.5!) USER MOD Single : A 54 SER OG : rot -92:sc= -2.62! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 111:sc= 0.304 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc=-0.00901 K(o=-0.009,f=-1.6!) USER MOD Single : A 69 ASN : amide:sc= 0.00847 K(o=0.0085,f=-2.7!) USER MOD Single : A 70 SER OG : rot -160:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0.00172 USER MOD Single : A 84 ASN : amide:sc= -0.99 K(o=-0.99,f=-6.5!) USER MOD Single : A 86 ASN : amide:sc= -5.15 K(o=-5.2,f=-11!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 90:sc= -1.02 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.05 K(o=-1,f=-3.3!) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0321 X(o=-0.032,f=-0.47) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0209 USER MOD Single : A 114 ASN : amide:sc= -0.0152 K(o=-0.015,f=-1.7!) USER MOD Single : A 117 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.8!) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.842 -3.083 13.568 1.00 0.00 N ATOM 2 CA VAL A 1 90.708 -3.443 12.127 1.00 0.00 C ATOM 3 C VAL A 1 91.948 -4.196 11.635 1.00 0.00 C ATOM 4 O VAL A 1 93.056 -3.949 12.080 1.00 0.00 O ATOM 5 CB VAL A 1 90.557 -2.107 11.388 1.00 0.00 C ATOM 6 CG1 VAL A 1 89.288 -1.399 11.865 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.757 -1.210 11.666 1.00 0.00 C ATOM 0 H1 VAL A 1 90.111 -3.578 14.119 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.783 -3.364 13.910 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.725 -2.056 13.682 1.00 0.00 H new ATOM 0 HA VAL A 1 89.857 -4.102 11.953 1.00 0.00 H new ATOM 0 HB VAL A 1 90.495 -2.305 10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 1 89.181 -0.450 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 1 88.421 -2.027 11.659 1.00 0.00 H new ATOM 0 HG13 VAL A 1 89.355 -1.215 12.937 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.636 -0.266 11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.827 -1.018 12.737 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.667 -1.704 11.325 1.00 0.00 H new ATOM 17 N SER A 2 91.764 -5.128 10.739 1.00 0.00 N ATOM 18 CA SER A 2 92.920 -5.914 10.220 1.00 0.00 C ATOM 19 C SER A 2 93.135 -5.627 8.734 1.00 0.00 C ATOM 20 O SER A 2 92.194 -5.482 7.977 1.00 0.00 O ATOM 21 CB SER A 2 92.539 -7.375 10.436 1.00 0.00 C ATOM 22 OG SER A 2 93.478 -8.210 9.772 1.00 0.00 O ATOM 0 H SER A 2 90.859 -5.380 10.343 1.00 0.00 H new ATOM 0 HA SER A 2 93.850 -5.658 10.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 92.521 -7.604 11.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.536 -7.561 10.053 1.00 0.00 H new ATOM 0 HG SER A 2 93.236 -9.149 9.911 1.00 0.00 H new ATOM 28 N ILE A 3 94.372 -5.540 8.317 1.00 0.00 N ATOM 29 CA ILE A 3 94.665 -5.259 6.884 1.00 0.00 C ATOM 30 C ILE A 3 95.206 -6.510 6.190 1.00 0.00 C ATOM 31 O ILE A 3 95.891 -7.317 6.789 1.00 0.00 O ATOM 32 CB ILE A 3 95.732 -4.155 6.886 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.992 -4.635 7.620 1.00 0.00 C ATOM 34 CG2 ILE A 3 95.185 -2.909 7.587 1.00 0.00 C ATOM 35 CD1 ILE A 3 98.144 -3.675 7.326 1.00 0.00 C ATOM 0 H ILE A 3 95.193 -5.652 8.911 1.00 0.00 H new ATOM 0 HA ILE A 3 93.767 -4.956 6.346 1.00 0.00 H new ATOM 0 HB ILE A 3 95.988 -3.915 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.806 -4.681 8.693 1.00 0.00 H new ATOM 0 HG13 ILE A 3 97.252 -5.643 7.298 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.945 -2.128 7.586 1.00 0.00 H new ATOM 0 HG22 ILE A 3 94.300 -2.554 7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.920 -3.157 8.615 1.00 0.00 H new ATOM 0 HD11 ILE A 3 99.041 -4.013 7.846 1.00 0.00 H new ATOM 0 HD12 ILE A 3 98.334 -3.652 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.881 -2.675 7.669 1.00 0.00 H new ATOM 47 N SER A 4 94.913 -6.661 4.928 1.00 0.00 N ATOM 48 CA SER A 4 95.411 -7.834 4.158 1.00 0.00 C ATOM 49 C SER A 4 95.645 -7.397 2.715 1.00 0.00 C ATOM 50 O SER A 4 95.556 -6.224 2.400 1.00 0.00 O ATOM 51 CB SER A 4 94.301 -8.881 4.233 1.00 0.00 C ATOM 52 OG SER A 4 94.622 -9.835 5.236 1.00 0.00 O ATOM 0 H SER A 4 94.340 -6.010 4.390 1.00 0.00 H new ATOM 0 HA SER A 4 96.346 -8.235 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.349 -8.402 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.186 -9.375 3.268 1.00 0.00 H new ATOM 0 HG SER A 4 93.911 -10.507 5.288 1.00 0.00 H new ATOM 58 N TYR A 5 95.930 -8.317 1.834 1.00 0.00 N ATOM 59 CA TYR A 5 96.153 -7.935 0.408 1.00 0.00 C ATOM 60 C TYR A 5 95.581 -8.998 -0.536 1.00 0.00 C ATOM 61 O TYR A 5 95.599 -10.177 -0.233 1.00 0.00 O ATOM 62 CB TYR A 5 97.677 -7.841 0.253 1.00 0.00 C ATOM 63 CG TYR A 5 98.319 -9.167 0.601 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.488 -10.143 -0.389 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.738 -9.420 1.913 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.077 -11.371 -0.066 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.327 -10.648 2.235 1.00 0.00 C ATOM 68 CZ TYR A 5 99.496 -11.624 1.245 1.00 0.00 C ATOM 69 OH TYR A 5 100.075 -12.836 1.563 1.00 0.00 O ATOM 0 H TYR A 5 96.018 -9.313 2.037 1.00 0.00 H new ATOM 0 HA TYR A 5 95.657 -6.998 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.930 -7.563 -0.770 1.00 0.00 H new ATOM 0 HB3 TYR A 5 98.069 -7.057 0.902 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.164 -9.948 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.607 -8.667 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.208 -12.124 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.651 -10.843 3.247 1.00 0.00 H new ATOM 0 HH TYR A 5 100.309 -12.847 2.515 1.00 0.00 H new ATOM 79 N ASP A 6 95.098 -8.596 -1.687 1.00 0.00 N ATOM 80 CA ASP A 6 94.554 -9.586 -2.660 1.00 0.00 C ATOM 81 C ASP A 6 95.021 -9.222 -4.076 1.00 0.00 C ATOM 82 O ASP A 6 95.325 -8.075 -4.340 1.00 0.00 O ATOM 83 CB ASP A 6 93.033 -9.483 -2.550 1.00 0.00 C ATOM 84 CG ASP A 6 92.506 -10.606 -1.652 1.00 0.00 C ATOM 85 OD1 ASP A 6 93.016 -10.750 -0.553 1.00 0.00 O ATOM 86 OD2 ASP A 6 91.604 -11.307 -2.082 1.00 0.00 O1- ATOM 0 H ASP A 6 95.058 -7.623 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 6 94.895 -10.600 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.753 -8.513 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.581 -9.552 -3.539 1.00 0.00 H new ATOM 91 N PRO A 7 95.074 -10.202 -4.951 1.00 0.00 N ATOM 92 CA PRO A 7 95.516 -9.948 -6.338 1.00 0.00 C ATOM 93 C PRO A 7 94.328 -9.545 -7.219 1.00 0.00 C ATOM 94 O PRO A 7 94.139 -10.072 -8.299 1.00 0.00 O ATOM 95 CB PRO A 7 96.078 -11.297 -6.773 1.00 0.00 C ATOM 96 CG PRO A 7 95.386 -12.326 -5.920 1.00 0.00 C ATOM 97 CD PRO A 7 94.739 -11.617 -4.751 1.00 0.00 C ATOM 0 HA PRO A 7 96.238 -9.136 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 7 95.889 -11.476 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 7 97.158 -11.334 -6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 7 94.635 -12.860 -6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.101 -13.068 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 7 93.660 -11.772 -4.740 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.124 -11.986 -3.800 1.00 0.00 H new ATOM 105 N ILE A 8 93.523 -8.622 -6.759 1.00 0.00 N ATOM 106 CA ILE A 8 92.337 -8.184 -7.549 1.00 0.00 C ATOM 107 C ILE A 8 92.370 -6.667 -7.812 1.00 0.00 C ATOM 108 O ILE A 8 91.584 -6.157 -8.590 1.00 0.00 O ATOM 109 CB ILE A 8 91.136 -8.582 -6.682 1.00 0.00 C ATOM 110 CG1 ILE A 8 89.839 -8.271 -7.425 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.161 -7.814 -5.350 1.00 0.00 C ATOM 112 CD1 ILE A 8 89.709 -9.188 -8.644 1.00 0.00 C ATOM 0 H ILE A 8 93.639 -8.150 -5.862 1.00 0.00 H new ATOM 0 HA ILE A 8 92.301 -8.645 -8.536 1.00 0.00 H new ATOM 0 HB ILE A 8 91.192 -9.651 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 8 88.986 -8.410 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 8 89.831 -7.228 -7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.303 -8.107 -4.745 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.080 -8.047 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 8 91.118 -6.743 -5.547 1.00 0.00 H new ATOM 0 HD11 ILE A 8 88.782 -8.963 -9.171 1.00 0.00 H new ATOM 0 HD12 ILE A 8 90.555 -9.027 -9.312 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.697 -10.228 -8.317 1.00 0.00 H new ATOM 124 N TYR A 9 93.278 -5.944 -7.200 1.00 0.00 N ATOM 125 CA TYR A 9 93.354 -4.474 -7.450 1.00 0.00 C ATOM 126 C TYR A 9 94.707 -4.091 -8.055 1.00 0.00 C ATOM 127 O TYR A 9 95.502 -3.382 -7.477 1.00 0.00 O ATOM 128 CB TYR A 9 93.097 -3.783 -6.111 1.00 0.00 C ATOM 129 CG TYR A 9 91.718 -4.148 -5.616 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.599 -3.942 -6.436 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.557 -4.698 -4.339 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.323 -4.286 -5.977 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.280 -5.042 -3.882 1.00 0.00 C ATOM 134 CZ TYR A 9 89.168 -4.837 -4.699 1.00 0.00 C ATOM 135 OH TYR A 9 87.918 -5.180 -4.245 1.00 0.00 O ATOM 0 H TYR A 9 93.966 -6.309 -6.541 1.00 0.00 H new ATOM 0 HA TYR A 9 92.607 -4.157 -8.178 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.849 -4.086 -5.382 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.181 -2.702 -6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.722 -3.518 -7.422 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.418 -4.857 -3.707 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.460 -4.127 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 9 90.155 -5.466 -2.897 1.00 0.00 H new ATOM 0 HH TYR A 9 87.989 -5.549 -3.340 1.00 0.00 H new ATOM 145 N ALA A 10 94.916 -4.535 -9.268 1.00 0.00 N ATOM 146 CA ALA A 10 96.153 -4.203 -10.033 1.00 0.00 C ATOM 147 C ALA A 10 95.805 -3.160 -11.100 1.00 0.00 C ATOM 148 O ALA A 10 94.659 -2.800 -11.288 1.00 0.00 O ATOM 149 CB ALA A 10 96.639 -5.512 -10.655 1.00 0.00 C ATOM 0 H ALA A 10 94.260 -5.131 -9.773 1.00 0.00 H new ATOM 0 HA ALA A 10 96.938 -3.780 -9.406 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.547 -5.327 -11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 10 96.850 -6.234 -9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 10 95.867 -5.910 -11.314 1.00 0.00 H new ATOM 155 N ALA A 11 96.810 -2.614 -11.732 1.00 0.00 N ATOM 156 CA ALA A 11 96.594 -1.511 -12.724 1.00 0.00 C ATOM 157 C ALA A 11 95.694 -1.897 -13.904 1.00 0.00 C ATOM 158 O ALA A 11 95.017 -1.036 -14.440 1.00 0.00 O ATOM 159 CB ALA A 11 97.996 -1.138 -13.225 1.00 0.00 C ATOM 0 H ALA A 11 97.785 -2.886 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 11 96.072 -0.685 -12.242 1.00 0.00 H new ATOM 0 HB1 ALA A 11 97.919 -0.334 -13.957 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.606 -0.806 -12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.460 -2.008 -13.689 1.00 0.00 H new ATOM 165 N ASP A 12 95.695 -3.126 -14.367 1.00 0.00 N ATOM 166 CA ASP A 12 94.847 -3.438 -15.565 1.00 0.00 C ATOM 167 C ASP A 12 93.428 -3.873 -15.182 1.00 0.00 C ATOM 168 O ASP A 12 92.697 -4.397 -16.001 1.00 0.00 O ATOM 169 CB ASP A 12 95.581 -4.551 -16.307 1.00 0.00 C ATOM 170 CG ASP A 12 96.863 -3.998 -16.938 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.879 -2.827 -17.280 1.00 0.00 O1- ATOM 172 OD2 ASP A 12 97.807 -4.761 -17.074 1.00 0.00 O ATOM 0 H ASP A 12 96.228 -3.906 -13.982 1.00 0.00 H new ATOM 0 HA ASP A 12 94.714 -2.551 -16.184 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.824 -5.361 -15.619 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.937 -4.972 -17.079 1.00 0.00 H new ATOM 177 N LEU A 13 93.035 -3.662 -13.957 1.00 0.00 N ATOM 178 CA LEU A 13 91.662 -4.062 -13.523 1.00 0.00 C ATOM 179 C LEU A 13 90.613 -3.122 -14.110 1.00 0.00 C ATOM 180 O LEU A 13 90.675 -1.919 -13.932 1.00 0.00 O ATOM 181 CB LEU A 13 91.671 -3.939 -11.995 1.00 0.00 C ATOM 182 CG LEU A 13 90.294 -4.331 -11.436 1.00 0.00 C ATOM 183 CD1 LEU A 13 90.004 -5.798 -11.762 1.00 0.00 C ATOM 184 CD2 LEU A 13 90.283 -4.132 -9.919 1.00 0.00 C ATOM 0 H LEU A 13 93.607 -3.228 -13.232 1.00 0.00 H new ATOM 0 HA LEU A 13 91.414 -5.069 -13.859 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.442 -4.583 -11.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.915 -2.917 -11.704 1.00 0.00 H new ATOM 0 HG LEU A 13 89.528 -3.703 -11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 13 89.027 -6.073 -11.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 90.008 -5.938 -12.843 1.00 0.00 H new ATOM 0 HD13 LEU A 13 90.770 -6.429 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 13 89.306 -4.410 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.051 -4.758 -9.464 1.00 0.00 H new ATOM 0 HD23 LEU A 13 90.484 -3.086 -9.688 1.00 0.00 H new ATOM 196 N SER A 14 89.636 -3.671 -14.782 1.00 0.00 N ATOM 197 CA SER A 14 88.562 -2.817 -15.352 1.00 0.00 C ATOM 198 C SER A 14 87.716 -2.274 -14.199 1.00 0.00 C ATOM 199 O SER A 14 87.385 -2.985 -13.269 1.00 0.00 O ATOM 200 CB SER A 14 87.748 -3.722 -16.274 1.00 0.00 C ATOM 201 OG SER A 14 86.693 -2.970 -16.861 1.00 0.00 O ATOM 0 H SER A 14 89.538 -4.671 -14.959 1.00 0.00 H new ATOM 0 HA SER A 14 88.944 -1.964 -15.912 1.00 0.00 H new ATOM 0 HB2 SER A 14 88.389 -4.139 -17.051 1.00 0.00 H new ATOM 0 HB3 SER A 14 87.341 -4.562 -15.711 1.00 0.00 H new ATOM 0 HG SER A 14 86.170 -3.548 -17.455 1.00 0.00 H new ATOM 207 N MET A 15 87.399 -1.013 -14.244 1.00 0.00 N ATOM 208 CA MET A 15 86.605 -0.387 -13.139 1.00 0.00 C ATOM 209 C MET A 15 85.179 -0.947 -13.066 1.00 0.00 C ATOM 210 O MET A 15 84.494 -0.761 -12.077 1.00 0.00 O ATOM 211 CB MET A 15 86.582 1.109 -13.461 1.00 0.00 C ATOM 212 CG MET A 15 87.997 1.685 -13.333 1.00 0.00 C ATOM 213 SD MET A 15 88.525 1.626 -11.601 1.00 0.00 S ATOM 214 CE MET A 15 87.391 2.889 -10.976 1.00 0.00 C ATOM 0 H MET A 15 87.655 -0.380 -15.002 1.00 0.00 H new ATOM 0 HA MET A 15 87.052 -0.597 -12.167 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.204 1.268 -14.471 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.905 1.627 -12.782 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.689 1.116 -13.954 1.00 0.00 H new ATOM 0 HG3 MET A 15 88.016 2.713 -13.694 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.853 3.410 -10.138 1.00 0.00 H new ATOM 0 HE2 MET A 15 87.169 3.603 -11.769 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.467 2.416 -10.644 1.00 0.00 H new ATOM 224 N GLY A 16 84.714 -1.614 -14.092 1.00 0.00 N ATOM 225 CA GLY A 16 83.322 -2.163 -14.070 1.00 0.00 C ATOM 226 C GLY A 16 83.218 -3.381 -13.148 1.00 0.00 C ATOM 227 O GLY A 16 82.129 -3.820 -12.827 1.00 0.00 O ATOM 0 H GLY A 16 85.239 -1.803 -14.946 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.630 -1.391 -13.735 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.023 -2.443 -15.080 1.00 0.00 H new ATOM 231 N SER A 17 84.324 -3.951 -12.738 1.00 0.00 N ATOM 232 CA SER A 17 84.266 -5.159 -11.861 1.00 0.00 C ATOM 233 C SER A 17 84.208 -4.788 -10.370 1.00 0.00 C ATOM 234 O SER A 17 83.960 -5.638 -9.533 1.00 0.00 O ATOM 235 CB SER A 17 85.548 -5.927 -12.171 1.00 0.00 C ATOM 236 OG SER A 17 85.296 -7.323 -12.070 1.00 0.00 O ATOM 0 H SER A 17 85.264 -3.631 -12.973 1.00 0.00 H new ATOM 0 HA SER A 17 83.366 -5.744 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 17 85.900 -5.681 -13.173 1.00 0.00 H new ATOM 0 HB3 SER A 17 86.336 -5.637 -11.476 1.00 0.00 H new ATOM 0 HG SER A 17 86.117 -7.819 -12.270 1.00 0.00 H new ATOM 242 N VAL A 18 84.435 -3.543 -10.024 1.00 0.00 N ATOM 243 CA VAL A 18 84.392 -3.153 -8.582 1.00 0.00 C ATOM 244 C VAL A 18 82.993 -2.638 -8.218 1.00 0.00 C ATOM 245 O VAL A 18 82.172 -2.396 -9.082 1.00 0.00 O ATOM 246 CB VAL A 18 85.454 -2.053 -8.431 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.118 -0.864 -9.343 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.500 -1.583 -6.979 1.00 0.00 C ATOM 0 H VAL A 18 84.647 -2.786 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 18 84.595 -3.991 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 18 86.425 -2.457 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 18 85.878 -0.091 -9.227 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.094 -1.197 -10.381 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.144 -0.459 -9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.254 -0.803 -6.873 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.525 -1.187 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.754 -2.423 -6.333 1.00 0.00 H new ATOM 258 N ALA A 19 82.716 -2.477 -6.945 1.00 0.00 N ATOM 259 CA ALA A 19 81.362 -1.984 -6.522 1.00 0.00 C ATOM 260 C ALA A 19 81.083 -0.621 -7.161 1.00 0.00 C ATOM 261 O ALA A 19 79.999 -0.366 -7.647 1.00 0.00 O ATOM 262 CB ALA A 19 81.431 -1.864 -4.997 1.00 0.00 C ATOM 0 H ALA A 19 83.366 -2.665 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 19 80.561 -2.655 -6.833 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.474 -1.508 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.653 -2.840 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.216 -1.159 -4.723 1.00 0.00 H new ATOM 268 N CYS A 20 82.064 0.242 -7.184 1.00 0.00 N ATOM 269 CA CYS A 20 81.877 1.586 -7.821 1.00 0.00 C ATOM 270 C CYS A 20 81.918 1.415 -9.350 1.00 0.00 C ATOM 271 O CYS A 20 82.957 1.577 -9.964 1.00 0.00 O ATOM 272 CB CYS A 20 83.080 2.418 -7.341 1.00 0.00 C ATOM 273 SG CYS A 20 82.507 3.932 -6.531 1.00 0.00 S ATOM 0 H CYS A 20 82.990 0.077 -6.789 1.00 0.00 H new ATOM 0 HA CYS A 20 80.931 2.060 -7.561 1.00 0.00 H new ATOM 0 HB2 CYS A 20 83.684 1.832 -6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.719 2.669 -8.187 1.00 0.00 H new ATOM 278 N SER A 21 80.816 1.041 -9.968 1.00 0.00 N ATOM 279 CA SER A 21 80.836 0.812 -11.448 1.00 0.00 C ATOM 280 C SER A 21 80.496 2.079 -12.255 1.00 0.00 C ATOM 281 O SER A 21 81.386 2.731 -12.769 1.00 0.00 O ATOM 282 CB SER A 21 79.823 -0.312 -11.698 1.00 0.00 C ATOM 283 OG SER A 21 79.935 -1.284 -10.667 1.00 0.00 O ATOM 0 H SER A 21 79.915 0.887 -9.515 1.00 0.00 H new ATOM 0 HA SER A 21 81.837 0.541 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 21 78.812 0.093 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.006 -0.772 -12.669 1.00 0.00 H new ATOM 0 HG SER A 21 80.877 -1.393 -10.421 1.00 0.00 H new ATOM 289 N ASN A 22 79.233 2.437 -12.395 1.00 0.00 N ATOM 290 CA ASN A 22 78.898 3.659 -13.199 1.00 0.00 C ATOM 291 C ASN A 22 77.719 4.437 -12.614 1.00 0.00 C ATOM 292 O ASN A 22 77.161 5.300 -13.269 1.00 0.00 O ATOM 293 CB ASN A 22 78.544 3.153 -14.595 1.00 0.00 C ATOM 294 CG ASN A 22 77.401 2.139 -14.518 1.00 0.00 C ATOM 295 OD1 ASN A 22 76.279 2.490 -14.209 1.00 0.00 O ATOM 296 ND2 ASN A 22 77.643 0.888 -14.792 1.00 0.00 N ATOM 0 H ASN A 22 78.436 1.944 -11.994 1.00 0.00 H new ATOM 0 HA ASN A 22 79.742 4.349 -13.203 1.00 0.00 H new ATOM 0 HB2 ASN A 22 78.254 3.990 -15.230 1.00 0.00 H new ATOM 0 HB3 ASN A 22 79.418 2.692 -15.055 1.00 0.00 H new ATOM 0 HD21 ASN A 22 76.890 0.201 -14.747 1.00 0.00 H new ATOM 0 HD22 ASN A 22 78.585 0.596 -15.051 1.00 0.00 H new ATOM 303 N GLY A 23 77.336 4.156 -11.400 1.00 0.00 N ATOM 304 CA GLY A 23 76.195 4.898 -10.786 1.00 0.00 C ATOM 305 C GLY A 23 76.643 6.328 -10.498 1.00 0.00 C ATOM 306 O GLY A 23 77.466 6.883 -11.202 1.00 0.00 O ATOM 0 H GLY A 23 77.762 3.445 -10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 23 75.338 4.898 -11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.877 4.409 -9.865 1.00 0.00 H new ATOM 310 N ASP A 24 76.133 6.912 -9.451 1.00 0.00 N ATOM 311 CA ASP A 24 76.555 8.298 -9.081 1.00 0.00 C ATOM 312 C ASP A 24 78.021 8.263 -8.661 1.00 0.00 C ATOM 313 O ASP A 24 78.798 9.136 -9.001 1.00 0.00 O ATOM 314 CB ASP A 24 75.668 8.690 -7.894 1.00 0.00 C ATOM 315 CG ASP A 24 75.947 10.142 -7.479 1.00 0.00 C ATOM 316 OD1 ASP A 24 77.003 10.655 -7.822 1.00 0.00 O ATOM 317 OD2 ASP A 24 75.097 10.720 -6.822 1.00 0.00 O1- ATOM 0 H ASP A 24 75.440 6.491 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 24 76.453 9.008 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.618 8.576 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.856 8.022 -7.054 1.00 0.00 H new ATOM 322 N HIS A 25 78.402 7.248 -7.931 1.00 0.00 N ATOM 323 CA HIS A 25 79.822 7.128 -7.485 1.00 0.00 C ATOM 324 C HIS A 25 80.639 6.344 -8.519 1.00 0.00 C ATOM 325 O HIS A 25 81.820 6.126 -8.335 1.00 0.00 O ATOM 326 CB HIS A 25 79.783 6.344 -6.172 1.00 0.00 C ATOM 327 CG HIS A 25 78.859 7.006 -5.190 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.967 8.344 -4.848 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.800 6.516 -4.474 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.993 8.613 -3.959 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.252 7.532 -3.695 1.00 0.00 N ATOM 0 H HIS A 25 77.788 6.494 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 25 80.283 8.108 -7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.451 5.323 -6.361 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.786 6.280 -5.750 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.444 5.497 -4.508 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.830 9.583 -3.513 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.457 7.466 -3.060 1.00 0.00 H new ATOM 339 N GLY A 26 80.027 5.914 -9.605 1.00 0.00 N ATOM 340 CA GLY A 26 80.779 5.140 -10.638 1.00 0.00 C ATOM 341 C GLY A 26 81.996 5.934 -11.095 1.00 0.00 C ATOM 342 O GLY A 26 81.910 7.103 -11.425 1.00 0.00 O ATOM 0 H GLY A 26 79.041 6.069 -9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 26 81.093 4.180 -10.229 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.132 4.928 -11.489 1.00 0.00 H new ATOM 346 N LEU A 27 83.124 5.297 -11.102 1.00 0.00 N ATOM 347 CA LEU A 27 84.377 5.975 -11.518 1.00 0.00 C ATOM 348 C LEU A 27 84.808 5.532 -12.926 1.00 0.00 C ATOM 349 O LEU A 27 85.757 6.054 -13.481 1.00 0.00 O ATOM 350 CB LEU A 27 85.395 5.528 -10.478 1.00 0.00 C ATOM 351 CG LEU A 27 84.986 6.051 -9.099 1.00 0.00 C ATOM 352 CD1 LEU A 27 85.858 5.403 -8.023 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.170 7.570 -9.058 1.00 0.00 C ATOM 0 H LEU A 27 83.235 4.319 -10.833 1.00 0.00 H new ATOM 0 HA LEU A 27 84.268 7.058 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.458 4.440 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.385 5.901 -10.740 1.00 0.00 H new ATOM 0 HG LEU A 27 83.941 5.803 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.564 5.777 -7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 27 85.728 4.321 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 27 86.904 5.648 -8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 27 84.879 7.945 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.215 7.815 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.546 8.033 -9.823 1.00 0.00 H new ATOM 365 N MET A 28 84.126 4.572 -13.502 1.00 0.00 N ATOM 366 CA MET A 28 84.494 4.090 -14.870 1.00 0.00 C ATOM 367 C MET A 28 84.405 5.230 -15.892 1.00 0.00 C ATOM 368 O MET A 28 85.156 5.279 -16.849 1.00 0.00 O ATOM 369 CB MET A 28 83.463 3.005 -15.205 1.00 0.00 C ATOM 370 CG MET A 28 83.766 2.414 -16.586 1.00 0.00 C ATOM 371 SD MET A 28 82.395 1.354 -17.107 1.00 0.00 S ATOM 372 CE MET A 28 82.487 0.173 -15.741 1.00 0.00 C ATOM 0 H MET A 28 83.326 4.099 -13.081 1.00 0.00 H new ATOM 0 HA MET A 28 85.517 3.715 -14.901 1.00 0.00 H new ATOM 0 HB2 MET A 28 83.488 2.220 -14.449 1.00 0.00 H new ATOM 0 HB3 MET A 28 82.458 3.428 -15.192 1.00 0.00 H new ATOM 0 HG2 MET A 28 83.916 3.215 -17.310 1.00 0.00 H new ATOM 0 HG3 MET A 28 84.691 1.839 -16.551 1.00 0.00 H new ATOM 0 HE1 MET A 28 82.284 -0.831 -16.114 1.00 0.00 H new ATOM 0 HE2 MET A 28 83.484 0.202 -15.301 1.00 0.00 H new ATOM 0 HE3 MET A 28 81.748 0.435 -14.983 1.00 0.00 H new ATOM 382 N ALA A 29 83.454 6.106 -15.722 1.00 0.00 N ATOM 383 CA ALA A 29 83.255 7.213 -16.711 1.00 0.00 C ATOM 384 C ALA A 29 84.533 8.024 -16.970 1.00 0.00 C ATOM 385 O ALA A 29 85.010 8.079 -18.089 1.00 0.00 O ATOM 386 CB ALA A 29 82.189 8.117 -16.087 1.00 0.00 C ATOM 0 H ALA A 29 82.801 6.106 -14.938 1.00 0.00 H new ATOM 0 HA ALA A 29 82.966 6.804 -17.679 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.987 8.955 -16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 29 81.273 7.547 -15.933 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.547 8.494 -15.129 1.00 0.00 H new ATOM 392 N GLN A 30 85.062 8.691 -15.972 1.00 0.00 N ATOM 393 CA GLN A 30 86.275 9.537 -16.205 1.00 0.00 C ATOM 394 C GLN A 30 87.500 8.674 -16.546 1.00 0.00 C ATOM 395 O GLN A 30 88.282 9.019 -17.413 1.00 0.00 O ATOM 396 CB GLN A 30 86.470 10.342 -14.921 1.00 0.00 C ATOM 397 CG GLN A 30 87.694 11.243 -15.061 1.00 0.00 C ATOM 398 CD GLN A 30 87.904 12.026 -13.765 1.00 0.00 C ATOM 399 OE1 GLN A 30 88.879 11.820 -13.068 1.00 0.00 O ATOM 400 NE2 GLN A 30 87.021 12.916 -13.403 1.00 0.00 N ATOM 0 H GLN A 30 84.710 8.687 -15.015 1.00 0.00 H new ATOM 0 HA GLN A 30 86.148 10.200 -17.061 1.00 0.00 H new ATOM 0 HB2 GLN A 30 85.584 10.944 -14.720 1.00 0.00 H new ATOM 0 HB3 GLN A 30 86.597 9.668 -14.074 1.00 0.00 H new ATOM 0 HG2 GLN A 30 88.577 10.643 -15.283 1.00 0.00 H new ATOM 0 HG3 GLN A 30 87.558 11.931 -15.896 1.00 0.00 H new ATOM 0 HE21 GLN A 30 86.203 13.090 -13.987 1.00 0.00 H new ATOM 0 HE22 GLN A 30 87.149 13.438 -12.536 1.00 0.00 H new ATOM 409 N TYR A 31 87.664 7.559 -15.891 1.00 0.00 N ATOM 410 CA TYR A 31 88.825 6.670 -16.190 1.00 0.00 C ATOM 411 C TYR A 31 88.382 5.201 -16.061 1.00 0.00 C ATOM 412 O TYR A 31 88.035 4.761 -14.983 1.00 0.00 O ATOM 413 CB TYR A 31 89.925 7.039 -15.181 1.00 0.00 C ATOM 414 CG TYR A 31 89.486 6.782 -13.763 1.00 0.00 C ATOM 415 CD1 TYR A 31 88.460 7.542 -13.195 1.00 0.00 C ATOM 416 CD2 TYR A 31 90.126 5.795 -13.007 1.00 0.00 C ATOM 417 CE1 TYR A 31 88.067 7.315 -11.882 1.00 0.00 C ATOM 418 CE2 TYR A 31 89.739 5.569 -11.683 1.00 0.00 C ATOM 419 CZ TYR A 31 88.709 6.326 -11.118 1.00 0.00 C ATOM 420 OH TYR A 31 88.333 6.105 -9.807 1.00 0.00 O ATOM 0 H TYR A 31 87.041 7.222 -15.157 1.00 0.00 H new ATOM 0 HA TYR A 31 89.203 6.798 -17.204 1.00 0.00 H new ATOM 0 HB2 TYR A 31 90.824 6.461 -15.395 1.00 0.00 H new ATOM 0 HB3 TYR A 31 90.187 8.091 -15.296 1.00 0.00 H new ATOM 0 HD1 TYR A 31 87.971 8.308 -13.779 1.00 0.00 H new ATOM 0 HD2 TYR A 31 90.919 5.208 -13.446 1.00 0.00 H new ATOM 0 HE1 TYR A 31 87.268 7.899 -11.449 1.00 0.00 H new ATOM 0 HE2 TYR A 31 90.236 4.810 -11.097 1.00 0.00 H new ATOM 0 HH TYR A 31 88.879 5.385 -9.427 1.00 0.00 H new ATOM 430 N PRO A 32 88.376 4.488 -17.176 1.00 0.00 N ATOM 431 CA PRO A 32 87.927 3.067 -17.171 1.00 0.00 C ATOM 432 C PRO A 32 88.931 2.135 -16.484 1.00 0.00 C ATOM 433 O PRO A 32 88.684 0.947 -16.373 1.00 0.00 O ATOM 434 CB PRO A 32 87.818 2.719 -18.654 1.00 0.00 C ATOM 435 CG PRO A 32 88.746 3.659 -19.345 1.00 0.00 C ATOM 436 CD PRO A 32 88.777 4.919 -18.530 1.00 0.00 C ATOM 0 HA PRO A 32 86.996 2.943 -16.618 1.00 0.00 H new ATOM 0 HB2 PRO A 32 88.100 1.682 -18.837 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.796 2.840 -19.013 1.00 0.00 H new ATOM 0 HG2 PRO A 32 89.743 3.227 -19.426 1.00 0.00 H new ATOM 0 HG3 PRO A 32 88.404 3.864 -20.359 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.771 5.366 -18.527 1.00 0.00 H new ATOM 0 HD3 PRO A 32 88.092 5.667 -18.928 1.00 0.00 H new ATOM 444 N THR A 33 90.049 2.639 -16.018 1.00 0.00 N ATOM 445 CA THR A 33 91.038 1.748 -15.341 1.00 0.00 C ATOM 446 C THR A 33 91.234 2.201 -13.893 1.00 0.00 C ATOM 447 O THR A 33 90.515 3.042 -13.393 1.00 0.00 O ATOM 448 CB THR A 33 92.345 1.884 -16.135 1.00 0.00 C ATOM 449 OG1 THR A 33 92.061 2.195 -17.494 1.00 0.00 O ATOM 450 CG2 THR A 33 93.128 0.568 -16.070 1.00 0.00 C ATOM 0 H THR A 33 90.316 3.622 -16.077 1.00 0.00 H new ATOM 0 HA THR A 33 90.703 0.711 -15.316 1.00 0.00 H new ATOM 0 HB THR A 33 92.940 2.687 -15.699 1.00 0.00 H new ATOM 0 HG1 THR A 33 92.901 2.282 -17.992 1.00 0.00 H new ATOM 0 HG21 THR A 33 94.055 0.668 -16.635 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.359 0.333 -15.031 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.527 -0.234 -16.498 1.00 0.00 H new ATOM 458 N LEU A 34 92.186 1.622 -13.212 1.00 0.00 N ATOM 459 CA LEU A 34 92.429 1.982 -11.787 1.00 0.00 C ATOM 460 C LEU A 34 93.818 2.605 -11.611 1.00 0.00 C ATOM 461 O LEU A 34 94.812 2.053 -12.045 1.00 0.00 O ATOM 462 CB LEU A 34 92.341 0.636 -11.062 1.00 0.00 C ATOM 463 CG LEU A 34 92.600 0.809 -9.563 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.555 1.755 -8.966 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.521 -0.561 -8.869 1.00 0.00 C ATOM 0 H LEU A 34 92.811 0.908 -13.587 1.00 0.00 H new ATOM 0 HA LEU A 34 91.721 2.719 -11.407 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.355 0.198 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 34 93.068 -0.058 -11.484 1.00 0.00 H new ATOM 0 HG LEU A 34 93.593 1.233 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 91.742 1.876 -7.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.619 2.725 -9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.559 1.338 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 34 92.705 -0.439 -7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.530 -0.989 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.272 -1.228 -9.293 1.00 0.00 H new ATOM 477 N GLY A 35 93.893 3.736 -10.956 1.00 0.00 N ATOM 478 CA GLY A 35 95.216 4.378 -10.725 1.00 0.00 C ATOM 479 C GLY A 35 95.117 5.904 -10.849 1.00 0.00 C ATOM 480 O GLY A 35 95.728 6.627 -10.083 1.00 0.00 O ATOM 0 H GLY A 35 93.093 4.240 -10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.584 4.113 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.940 3.997 -11.446 1.00 0.00 H new ATOM 484 N GLU A 36 94.377 6.403 -11.808 1.00 0.00 N ATOM 485 CA GLU A 36 94.273 7.890 -11.974 1.00 0.00 C ATOM 486 C GLU A 36 93.640 8.551 -10.740 1.00 0.00 C ATOM 487 O GLU A 36 94.043 9.624 -10.330 1.00 0.00 O ATOM 488 CB GLU A 36 93.391 8.095 -13.209 1.00 0.00 C ATOM 489 CG GLU A 36 93.249 9.590 -13.500 1.00 0.00 C ATOM 490 CD GLU A 36 92.376 9.792 -14.739 1.00 0.00 C ATOM 491 OE1 GLU A 36 92.886 9.613 -15.833 1.00 0.00 O ATOM 492 OE2 GLU A 36 91.216 10.128 -14.574 1.00 0.00 O1- ATOM 0 H GLU A 36 93.843 5.852 -12.480 1.00 0.00 H new ATOM 0 HA GLU A 36 95.256 8.347 -12.089 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.829 7.588 -14.069 1.00 0.00 H new ATOM 0 HB3 GLU A 36 92.409 7.652 -13.044 1.00 0.00 H new ATOM 0 HG2 GLU A 36 92.805 10.097 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU A 36 94.231 10.035 -13.659 1.00 0.00 H new ATOM 499 N VAL A 37 92.639 7.938 -10.168 1.00 0.00 N ATOM 500 CA VAL A 37 91.951 8.546 -8.982 1.00 0.00 C ATOM 501 C VAL A 37 92.625 8.162 -7.636 1.00 0.00 C ATOM 502 O VAL A 37 93.061 9.033 -6.910 1.00 0.00 O ATOM 503 CB VAL A 37 90.505 8.020 -9.101 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.779 8.007 -7.746 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.745 8.927 -10.064 1.00 0.00 C ATOM 0 H VAL A 37 92.263 7.039 -10.469 1.00 0.00 H new ATOM 0 HA VAL A 37 92.000 9.635 -8.980 1.00 0.00 H new ATOM 0 HB VAL A 37 90.542 6.993 -9.464 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.765 7.629 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.317 7.363 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.739 9.020 -7.345 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.719 8.573 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.742 9.946 -9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 37 90.231 8.910 -11.040 1.00 0.00 H new ATOM 515 N PRO A 38 92.658 6.886 -7.323 1.00 0.00 N ATOM 516 CA PRO A 38 93.244 6.432 -6.024 1.00 0.00 C ATOM 517 C PRO A 38 94.739 6.718 -5.910 1.00 0.00 C ATOM 518 O PRO A 38 95.213 7.204 -4.900 1.00 0.00 O ATOM 519 CB PRO A 38 92.999 4.922 -6.035 1.00 0.00 C ATOM 520 CG PRO A 38 92.852 4.569 -7.472 1.00 0.00 C ATOM 521 CD PRO A 38 92.183 5.745 -8.121 1.00 0.00 C ATOM 0 HA PRO A 38 92.794 6.955 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 38 93.830 4.384 -5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.103 4.663 -5.471 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.823 4.373 -7.927 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.255 3.665 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.466 5.841 -9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.097 5.657 -8.091 1.00 0.00 H new ATOM 529 N GLY A 39 95.480 6.370 -6.911 1.00 0.00 N ATOM 530 CA GLY A 39 96.957 6.554 -6.860 1.00 0.00 C ATOM 531 C GLY A 39 97.573 5.181 -7.090 1.00 0.00 C ATOM 532 O GLY A 39 98.135 4.587 -6.198 1.00 0.00 O ATOM 0 H GLY A 39 95.127 5.960 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 39 97.286 7.259 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.264 6.960 -5.896 1.00 0.00 H new ATOM 536 N PHE A 40 97.405 4.688 -8.291 1.00 0.00 N ATOM 537 CA PHE A 40 97.891 3.333 -8.733 1.00 0.00 C ATOM 538 C PHE A 40 98.197 2.323 -7.570 1.00 0.00 C ATOM 539 O PHE A 40 97.373 1.464 -7.323 1.00 0.00 O ATOM 540 CB PHE A 40 99.083 3.631 -9.655 1.00 0.00 C ATOM 541 CG PHE A 40 99.774 2.345 -10.088 1.00 0.00 C ATOM 542 CD1 PHE A 40 99.018 1.191 -10.364 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.169 2.309 -10.221 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.658 0.013 -10.765 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.806 1.129 -10.622 1.00 0.00 C ATOM 546 CZ PHE A 40 101.052 -0.018 -10.893 1.00 0.00 C ATOM 0 H PHE A 40 96.922 5.199 -9.030 1.00 0.00 H new ATOM 0 HA PHE A 40 97.107 2.788 -9.258 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.740 4.177 -10.534 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.795 4.274 -9.138 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.943 1.214 -10.266 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.753 3.193 -10.014 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.077 -0.872 -10.976 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.881 1.104 -10.722 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.546 -0.928 -11.201 1.00 0.00 H new ATOM 556 N PRO A 41 99.345 2.417 -6.883 1.00 0.00 N ATOM 557 CA PRO A 41 99.633 1.443 -5.781 1.00 0.00 C ATOM 558 C PRO A 41 98.948 1.829 -4.456 1.00 0.00 C ATOM 559 O PRO A 41 99.340 1.356 -3.405 1.00 0.00 O ATOM 560 CB PRO A 41 101.141 1.554 -5.589 1.00 0.00 C ATOM 561 CG PRO A 41 101.492 2.935 -6.037 1.00 0.00 C ATOM 562 CD PRO A 41 100.465 3.367 -7.048 1.00 0.00 C ATOM 0 HA PRO A 41 99.272 0.447 -6.037 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.418 1.396 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.669 0.803 -6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.504 3.620 -5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 102.490 2.952 -6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 41 100.142 4.393 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 41 100.868 3.331 -8.060 1.00 0.00 H new ATOM 570 N ASN A 42 97.956 2.682 -4.479 1.00 0.00 N ATOM 571 CA ASN A 42 97.288 3.088 -3.209 1.00 0.00 C ATOM 572 C ASN A 42 95.792 2.807 -3.288 1.00 0.00 C ATOM 573 O ASN A 42 94.972 3.643 -2.954 1.00 0.00 O ATOM 574 CB ASN A 42 97.556 4.586 -3.088 1.00 0.00 C ATOM 575 CG ASN A 42 98.899 4.809 -2.387 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.368 3.955 -1.660 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.543 5.928 -2.575 1.00 0.00 N ATOM 0 H ASN A 42 97.581 3.114 -5.323 1.00 0.00 H new ATOM 0 HA ASN A 42 97.663 2.538 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.569 5.045 -4.077 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.755 5.065 -2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.438 6.085 -2.112 1.00 0.00 H new ATOM 0 HD22 ASN A 42 99.151 6.646 -3.185 1.00 0.00 H new ATOM 584 N VAL A 43 95.437 1.634 -3.730 1.00 0.00 N ATOM 585 CA VAL A 43 93.998 1.275 -3.843 1.00 0.00 C ATOM 586 C VAL A 43 93.730 -0.075 -3.163 1.00 0.00 C ATOM 587 O VAL A 43 94.521 -1.003 -3.230 1.00 0.00 O ATOM 588 CB VAL A 43 93.707 1.225 -5.350 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.461 0.060 -6.005 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.197 1.057 -5.572 1.00 0.00 C ATOM 0 H VAL A 43 96.087 0.904 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 43 93.349 1.996 -3.346 1.00 0.00 H new ATOM 0 HB VAL A 43 94.044 2.156 -5.806 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.243 0.040 -7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.533 0.191 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.144 -0.879 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.988 1.021 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.862 0.131 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.668 1.900 -5.127 1.00 0.00 H new ATOM 600 N GLY A 44 92.606 -0.168 -2.509 1.00 0.00 N ATOM 601 CA GLY A 44 92.227 -1.427 -1.806 1.00 0.00 C ATOM 602 C GLY A 44 90.749 -1.348 -1.416 1.00 0.00 C ATOM 603 O GLY A 44 90.105 -0.334 -1.601 1.00 0.00 O ATOM 0 H GLY A 44 91.923 0.586 -2.430 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.401 -2.287 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.845 -1.564 -0.919 1.00 0.00 H new ATOM 607 N GLY A 45 90.215 -2.409 -0.870 1.00 0.00 N ATOM 608 CA GLY A 45 88.784 -2.406 -0.457 1.00 0.00 C ATOM 609 C GLY A 45 88.671 -1.884 0.974 1.00 0.00 C ATOM 610 O GLY A 45 89.637 -1.873 1.716 1.00 0.00 O ATOM 0 H GLY A 45 90.713 -3.281 -0.692 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.201 -1.780 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.373 -3.413 -0.522 1.00 0.00 H new ATOM 614 N ILE A 46 87.497 -1.470 1.371 1.00 0.00 N ATOM 615 CA ILE A 46 87.303 -0.965 2.761 1.00 0.00 C ATOM 616 C ILE A 46 85.879 -1.302 3.253 1.00 0.00 C ATOM 617 O ILE A 46 84.967 -1.435 2.460 1.00 0.00 O ATOM 618 CB ILE A 46 87.532 0.558 2.711 1.00 0.00 C ATOM 619 CG1 ILE A 46 86.750 1.189 1.544 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.026 0.840 2.533 1.00 0.00 C ATOM 621 CD1 ILE A 46 85.992 2.427 2.036 1.00 0.00 C ATOM 0 H ILE A 46 86.660 -1.460 0.789 1.00 0.00 H new ATOM 0 HA ILE A 46 87.999 -1.431 3.459 1.00 0.00 H new ATOM 0 HB ILE A 46 87.178 0.995 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 46 87.435 1.465 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.050 0.464 1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.191 1.917 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.579 0.416 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.373 0.389 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.441 2.869 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 46 85.295 2.138 2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 46 86.701 3.155 2.430 1.00 0.00 H new ATOM 633 N PRO A 47 85.742 -1.449 4.554 1.00 0.00 N ATOM 634 CA PRO A 47 84.424 -1.800 5.179 1.00 0.00 C ATOM 635 C PRO A 47 83.346 -0.716 5.003 1.00 0.00 C ATOM 636 O PRO A 47 82.181 -0.974 5.248 1.00 0.00 O ATOM 637 CB PRO A 47 84.774 -1.944 6.662 1.00 0.00 C ATOM 638 CG PRO A 47 86.003 -1.123 6.839 1.00 0.00 C ATOM 639 CD PRO A 47 86.789 -1.303 5.577 1.00 0.00 C ATOM 0 HA PRO A 47 83.996 -2.690 4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.964 -1.586 7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.952 -2.986 6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.754 -0.074 7.000 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.574 -1.453 7.707 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.433 -0.446 5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.433 -2.181 5.624 1.00 0.00 H new ATOM 647 N ASP A 48 83.697 0.490 4.618 1.00 0.00 N ATOM 648 CA ASP A 48 82.650 1.560 4.480 1.00 0.00 C ATOM 649 C ASP A 48 82.052 1.610 3.066 1.00 0.00 C ATOM 650 O ASP A 48 81.499 2.615 2.662 1.00 0.00 O ATOM 651 CB ASP A 48 83.350 2.876 4.825 1.00 0.00 C ATOM 652 CG ASP A 48 83.568 2.984 6.342 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.950 2.225 7.075 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.350 3.829 6.745 1.00 0.00 O ATOM 0 H ASP A 48 84.650 0.779 4.396 1.00 0.00 H new ATOM 0 HA ASP A 48 81.809 1.361 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 48 84.308 2.932 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.750 3.717 4.476 1.00 0.00 H new ATOM 659 N ILE A 49 82.121 0.531 2.332 1.00 0.00 N ATOM 660 CA ILE A 49 81.516 0.506 0.964 1.00 0.00 C ATOM 661 C ILE A 49 80.344 -0.483 0.971 1.00 0.00 C ATOM 662 O ILE A 49 80.487 -1.616 1.389 1.00 0.00 O ATOM 663 CB ILE A 49 82.632 0.020 0.037 1.00 0.00 C ATOM 664 CG1 ILE A 49 83.837 0.969 0.129 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.126 -0.037 -1.410 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.459 2.388 -0.311 1.00 0.00 C ATOM 0 H ILE A 49 82.571 -0.338 2.620 1.00 0.00 H new ATOM 0 HA ILE A 49 81.137 1.476 0.643 1.00 0.00 H new ATOM 0 HB ILE A 49 82.938 -0.979 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.210 0.990 1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 49 84.647 0.595 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 49 82.927 -0.384 -2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.283 -0.725 -1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 49 81.808 0.957 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.331 3.037 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.110 2.368 -1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 49 82.666 2.769 0.332 1.00 0.00 H new ATOM 678 N ALA A 50 79.180 -0.056 0.544 1.00 0.00 N ATOM 679 CA ALA A 50 77.989 -0.963 0.560 1.00 0.00 C ATOM 680 C ALA A 50 77.942 -1.870 -0.667 1.00 0.00 C ATOM 681 O ALA A 50 77.700 -3.057 -0.538 1.00 0.00 O ATOM 682 CB ALA A 50 76.780 -0.030 0.584 1.00 0.00 C ATOM 0 H ALA A 50 79.003 0.882 0.185 1.00 0.00 H new ATOM 0 HA ALA A 50 78.018 -1.633 1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 50 75.864 -0.621 0.597 1.00 0.00 H new ATOM 0 HB2 ALA A 50 76.821 0.595 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.791 0.603 -0.303 1.00 0.00 H new ATOM 688 N GLY A 51 78.154 -1.346 -1.848 1.00 0.00 N ATOM 689 CA GLY A 51 78.095 -2.232 -3.046 1.00 0.00 C ATOM 690 C GLY A 51 78.200 -1.433 -4.347 1.00 0.00 C ATOM 691 O GLY A 51 79.046 -0.576 -4.511 1.00 0.00 O ATOM 0 H GLY A 51 78.361 -0.364 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 51 78.905 -2.960 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.161 -2.793 -3.038 1.00 0.00 H new ATOM 695 N TRP A 52 77.345 -1.751 -5.283 1.00 0.00 N ATOM 696 CA TRP A 52 77.345 -1.087 -6.627 1.00 0.00 C ATOM 697 C TRP A 52 77.459 0.441 -6.550 1.00 0.00 C ATOM 698 O TRP A 52 77.966 1.061 -7.472 1.00 0.00 O ATOM 699 CB TRP A 52 75.998 -1.462 -7.252 1.00 0.00 C ATOM 700 CG TRP A 52 75.982 -1.016 -8.681 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.623 -1.642 -9.694 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.314 0.138 -9.270 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.395 -0.946 -10.867 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.592 0.158 -10.658 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.502 1.157 -8.742 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.084 1.156 -11.491 1.00 0.00 C ATOM 707 CZ3 TRP A 52 73.988 2.164 -9.578 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.279 2.162 -10.950 1.00 0.00 C ATOM 0 H TRP A 52 76.624 -2.464 -5.171 1.00 0.00 H new ATOM 0 HA TRP A 52 78.208 -1.417 -7.205 1.00 0.00 H new ATOM 0 HB2 TRP A 52 75.842 -2.539 -7.192 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.184 -0.991 -6.702 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.216 -2.540 -9.602 1.00 0.00 H new ATOM 0 HE1 TRP A 52 76.773 -1.215 -11.775 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.271 1.166 -7.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.312 1.151 -12.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.366 2.943 -9.162 1.00 0.00 H new ATOM 0 HH2 TRP A 52 73.881 2.937 -11.588 1.00 0.00 H new ATOM 719 N ASP A 53 76.994 1.062 -5.493 1.00 0.00 N ATOM 720 CA ASP A 53 77.082 2.550 -5.414 1.00 0.00 C ATOM 721 C ASP A 53 77.291 3.011 -3.969 1.00 0.00 C ATOM 722 O ASP A 53 76.474 3.717 -3.406 1.00 0.00 O ATOM 723 CB ASP A 53 75.736 3.043 -5.947 1.00 0.00 C ATOM 724 CG ASP A 53 75.810 4.548 -6.209 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.518 4.936 -7.124 1.00 0.00 O1- ATOM 726 OD2 ASP A 53 75.158 5.288 -5.490 1.00 0.00 O ATOM 0 H ASP A 53 76.562 0.606 -4.690 1.00 0.00 H new ATOM 0 HA ASP A 53 77.925 2.942 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.482 2.515 -6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.947 2.827 -5.227 1.00 0.00 H new ATOM 731 N SER A 54 78.375 2.605 -3.363 1.00 0.00 N ATOM 732 CA SER A 54 78.640 3.001 -1.945 1.00 0.00 C ATOM 733 C SER A 54 78.769 4.531 -1.829 1.00 0.00 C ATOM 734 O SER A 54 79.356 5.159 -2.685 1.00 0.00 O ATOM 735 CB SER A 54 79.960 2.327 -1.580 1.00 0.00 C ATOM 736 OG SER A 54 80.945 2.662 -2.546 1.00 0.00 O ATOM 0 H SER A 54 79.091 2.015 -3.788 1.00 0.00 H new ATOM 0 HA SER A 54 77.830 2.699 -1.280 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.283 2.648 -0.589 1.00 0.00 H new ATOM 0 HB3 SER A 54 79.829 1.246 -1.538 1.00 0.00 H new ATOM 0 HG SER A 54 80.956 1.982 -3.252 1.00 0.00 H new ATOM 742 N PRO A 55 78.216 5.091 -0.770 1.00 0.00 N ATOM 743 CA PRO A 55 78.285 6.563 -0.574 1.00 0.00 C ATOM 744 C PRO A 55 79.696 7.001 -0.164 1.00 0.00 C ATOM 745 O PRO A 55 80.063 8.151 -0.322 1.00 0.00 O ATOM 746 CB PRO A 55 77.295 6.824 0.557 1.00 0.00 C ATOM 747 CG PRO A 55 77.220 5.538 1.314 1.00 0.00 C ATOM 748 CD PRO A 55 77.484 4.431 0.328 1.00 0.00 C ATOM 0 HA PRO A 55 78.052 7.116 -1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.634 7.639 1.197 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.318 7.110 0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 55 77.955 5.521 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.239 5.418 1.775 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.074 3.631 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.555 3.983 -0.025 1.00 0.00 H new ATOM 756 N SER A 56 80.482 6.100 0.373 1.00 0.00 N ATOM 757 CA SER A 56 81.863 6.467 0.808 1.00 0.00 C ATOM 758 C SER A 56 82.888 6.175 -0.297 1.00 0.00 C ATOM 759 O SER A 56 84.079 6.157 -0.050 1.00 0.00 O ATOM 760 CB SER A 56 82.135 5.590 2.027 1.00 0.00 C ATOM 761 OG SER A 56 81.135 5.824 3.007 1.00 0.00 O ATOM 0 H SER A 56 80.225 5.125 0.528 1.00 0.00 H new ATOM 0 HA SER A 56 81.946 7.531 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 56 82.139 4.539 1.739 1.00 0.00 H new ATOM 0 HB3 SER A 56 83.120 5.812 2.436 1.00 0.00 H new ATOM 0 HG SER A 56 81.306 5.261 3.790 1.00 0.00 H new ATOM 767 N CYS A 57 82.440 5.930 -1.504 1.00 0.00 N ATOM 768 CA CYS A 57 83.398 5.626 -2.611 1.00 0.00 C ATOM 769 C CYS A 57 84.137 6.893 -3.045 1.00 0.00 C ATOM 770 O CYS A 57 83.584 7.976 -3.054 1.00 0.00 O ATOM 771 CB CYS A 57 82.538 5.096 -3.755 1.00 0.00 C ATOM 772 SG CYS A 57 83.506 3.962 -4.776 1.00 0.00 S ATOM 0 H CYS A 57 81.455 5.927 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 57 84.156 4.906 -2.303 1.00 0.00 H new ATOM 0 HB2 CYS A 57 81.663 4.583 -3.356 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.173 5.925 -4.362 1.00 0.00 H new ATOM 777 N GLY A 58 85.379 6.751 -3.425 1.00 0.00 N ATOM 778 CA GLY A 58 86.169 7.929 -3.889 1.00 0.00 C ATOM 779 C GLY A 58 86.617 8.780 -2.696 1.00 0.00 C ATOM 780 O GLY A 58 86.899 9.955 -2.839 1.00 0.00 O ATOM 0 H GLY A 58 85.883 5.864 -3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.041 7.591 -4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.567 8.533 -4.568 1.00 0.00 H new ATOM 784 N THR A 59 86.686 8.201 -1.525 1.00 0.00 N ATOM 785 CA THR A 59 87.120 8.975 -0.322 1.00 0.00 C ATOM 786 C THR A 59 88.560 8.618 0.063 1.00 0.00 C ATOM 787 O THR A 59 88.982 7.480 0.016 1.00 0.00 O ATOM 788 CB THR A 59 86.140 8.589 0.788 1.00 0.00 C ATOM 789 OG1 THR A 59 84.818 8.901 0.373 1.00 0.00 O ATOM 790 CG2 THR A 59 86.469 9.374 2.059 1.00 0.00 C ATOM 0 H THR A 59 86.460 7.222 -1.349 1.00 0.00 H new ATOM 0 HA THR A 59 87.111 10.049 -0.506 1.00 0.00 H new ATOM 0 HB THR A 59 86.222 7.521 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.319 8.072 0.220 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.770 9.098 2.848 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.486 9.142 2.377 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.386 10.442 1.859 1.00 0.00 H new ATOM 798 N CYS A 60 89.309 9.623 0.429 1.00 0.00 N ATOM 799 CA CYS A 60 90.744 9.432 0.813 1.00 0.00 C ATOM 800 C CYS A 60 90.852 8.919 2.257 1.00 0.00 C ATOM 801 O CYS A 60 90.231 9.447 3.159 1.00 0.00 O ATOM 802 CB CYS A 60 91.354 10.838 0.697 1.00 0.00 C ATOM 803 SG CYS A 60 93.108 10.813 1.160 1.00 0.00 S ATOM 0 H CYS A 60 88.983 10.588 0.480 1.00 0.00 H new ATOM 0 HA CYS A 60 91.251 8.700 0.185 1.00 0.00 H new ATOM 0 HB2 CYS A 60 91.247 11.204 -0.324 1.00 0.00 H new ATOM 0 HB3 CYS A 60 90.812 11.530 1.342 1.00 0.00 H new ATOM 808 N TRP A 61 91.653 7.907 2.479 1.00 0.00 N ATOM 809 CA TRP A 61 91.827 7.364 3.863 1.00 0.00 C ATOM 810 C TRP A 61 93.313 7.138 4.156 1.00 0.00 C ATOM 811 O TRP A 61 94.082 6.810 3.272 1.00 0.00 O ATOM 812 CB TRP A 61 91.076 6.033 3.872 1.00 0.00 C ATOM 813 CG TRP A 61 89.603 6.284 3.835 1.00 0.00 C ATOM 814 CD1 TRP A 61 88.807 6.082 2.761 1.00 0.00 C ATOM 815 CD2 TRP A 61 88.737 6.771 4.901 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.508 6.414 3.099 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.414 6.846 4.407 1.00 0.00 C ATOM 818 CE3 TRP A 61 88.969 7.155 6.236 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.358 7.284 5.207 1.00 0.00 C ATOM 820 CZ3 TRP A 61 87.909 7.596 7.043 1.00 0.00 C ATOM 821 CH2 TRP A 61 86.605 7.660 6.529 1.00 0.00 C ATOM 0 H TRP A 61 92.196 7.431 1.759 1.00 0.00 H new ATOM 0 HA TRP A 61 91.448 8.048 4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.374 5.431 3.013 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.335 5.464 4.765 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.133 5.720 1.797 1.00 0.00 H new ATOM 0 HE1 TRP A 61 86.716 6.348 2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 61 89.969 7.110 6.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.356 7.332 4.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.098 7.888 8.066 1.00 0.00 H new ATOM 0 HH2 TRP A 61 85.793 8.000 7.155 1.00 0.00 H new ATOM 832 N LYS A 62 93.723 7.307 5.388 1.00 0.00 N ATOM 833 CA LYS A 62 95.160 7.098 5.744 1.00 0.00 C ATOM 834 C LYS A 62 95.309 5.809 6.554 1.00 0.00 C ATOM 835 O LYS A 62 94.581 5.582 7.499 1.00 0.00 O ATOM 836 CB LYS A 62 95.532 8.309 6.605 1.00 0.00 C ATOM 837 CG LYS A 62 97.000 8.207 7.033 1.00 0.00 C ATOM 838 CD LYS A 62 97.370 9.417 7.893 1.00 0.00 C ATOM 839 CE LYS A 62 98.842 9.320 8.301 1.00 0.00 C ATOM 840 NZ LYS A 62 99.266 10.724 8.568 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.122 7.582 6.165 1.00 0.00 H new ATOM 0 HA LYS A 62 95.799 7.008 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 62 95.370 9.230 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 62 94.889 8.354 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.163 7.286 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 62 97.643 8.163 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 97.195 10.339 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 62 96.737 9.454 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 62 98.965 8.696 9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 62 99.442 8.871 7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 100.266 10.736 8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.145 11.293 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.683 11.123 9.331 1.00 0.00 H new ATOM 854 N VAL A 63 96.245 4.968 6.188 1.00 0.00 N ATOM 855 CA VAL A 63 96.442 3.690 6.938 1.00 0.00 C ATOM 856 C VAL A 63 97.758 3.734 7.726 1.00 0.00 C ATOM 857 O VAL A 63 98.826 3.927 7.173 1.00 0.00 O ATOM 858 CB VAL A 63 96.465 2.591 5.869 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.663 1.225 6.536 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.138 2.596 5.092 1.00 0.00 C ATOM 0 H VAL A 63 96.880 5.112 5.403 1.00 0.00 H new ATOM 0 HA VAL A 63 95.653 3.512 7.668 1.00 0.00 H new ATOM 0 HB VAL A 63 97.288 2.779 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.679 0.447 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.608 1.219 7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.844 1.037 7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.158 1.814 4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.313 2.413 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.002 3.565 4.611 1.00 0.00 H new ATOM 870 N THR A 64 97.669 3.582 9.024 1.00 0.00 N ATOM 871 CA THR A 64 98.878 3.636 9.901 1.00 0.00 C ATOM 872 C THR A 64 99.053 2.313 10.661 1.00 0.00 C ATOM 873 O THR A 64 98.087 1.664 11.020 1.00 0.00 O ATOM 874 CB THR A 64 98.570 4.774 10.881 1.00 0.00 C ATOM 875 OG1 THR A 64 98.397 5.982 10.154 1.00 0.00 O ATOM 876 CG2 THR A 64 99.723 4.939 11.875 1.00 0.00 C ATOM 0 H THR A 64 96.793 3.420 9.521 1.00 0.00 H new ATOM 0 HA THR A 64 99.798 3.795 9.339 1.00 0.00 H new ATOM 0 HB THR A 64 97.659 4.538 11.431 1.00 0.00 H new ATOM 0 HG1 THR A 64 98.198 6.713 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.494 5.750 12.566 1.00 0.00 H new ATOM 0 HG22 THR A 64 99.857 4.013 12.434 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.640 5.172 11.333 1.00 0.00 H new ATOM 884 N ILE A 65 100.277 1.908 10.900 1.00 0.00 N ATOM 885 CA ILE A 65 100.516 0.618 11.628 1.00 0.00 C ATOM 886 C ILE A 65 101.352 0.851 12.907 1.00 0.00 C ATOM 887 O ILE A 65 101.937 1.902 13.075 1.00 0.00 O ATOM 888 CB ILE A 65 101.256 -0.276 10.622 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.530 0.426 10.136 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.344 -0.555 9.426 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.499 -0.612 9.571 1.00 0.00 C ATOM 0 H ILE A 65 101.120 2.412 10.624 1.00 0.00 H new ATOM 0 HA ILE A 65 99.587 0.157 11.964 1.00 0.00 H new ATOM 0 HB ILE A 65 101.526 -1.214 11.107 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.283 1.163 9.372 1.00 0.00 H new ATOM 0 HG13 ILE A 65 102.998 0.966 10.960 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.867 -1.189 8.710 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.441 -1.061 9.767 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.074 0.386 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.405 -0.114 9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.755 -1.332 10.348 1.00 0.00 H new ATOM 0 HD13 ILE A 65 103.029 -1.132 8.736 1.00 0.00 H new ATOM 903 N PRO A 66 101.357 -0.141 13.788 1.00 0.00 N ATOM 904 CA PRO A 66 102.101 -0.035 15.084 1.00 0.00 C ATOM 905 C PRO A 66 103.610 0.157 14.890 1.00 0.00 C ATOM 906 O PRO A 66 104.279 0.713 15.741 1.00 0.00 O ATOM 907 CB PRO A 66 101.813 -1.377 15.765 1.00 0.00 C ATOM 908 CG PRO A 66 101.467 -2.296 14.646 1.00 0.00 C ATOM 909 CD PRO A 66 100.692 -1.455 13.676 1.00 0.00 C ATOM 0 HA PRO A 66 101.785 0.833 15.662 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.681 -1.735 16.319 1.00 0.00 H new ATOM 0 HB3 PRO A 66 100.992 -1.293 16.478 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.363 -2.708 14.182 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.874 -3.140 14.998 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.746 -1.852 12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.636 -1.399 13.941 1.00 0.00 H new ATOM 917 N ASN A 67 104.151 -0.291 13.788 1.00 0.00 N ATOM 918 CA ASN A 67 105.622 -0.127 13.550 1.00 0.00 C ATOM 919 C ASN A 67 105.969 1.356 13.401 1.00 0.00 C ATOM 920 O ASN A 67 106.974 1.828 13.896 1.00 0.00 O ATOM 921 CB ASN A 67 105.907 -0.880 12.251 1.00 0.00 C ATOM 922 CG ASN A 67 105.767 -2.386 12.488 1.00 0.00 C ATOM 923 OD1 ASN A 67 105.887 -2.851 13.605 1.00 0.00 O ATOM 924 ND2 ASN A 67 105.515 -3.172 11.478 1.00 0.00 N ATOM 0 H ASN A 67 103.642 -0.763 13.041 1.00 0.00 H new ATOM 0 HA ASN A 67 106.218 -0.512 14.377 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.215 -0.558 11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 67 106.912 -0.649 11.898 1.00 0.00 H new ATOM 0 HD21 ASN A 67 105.419 -4.177 11.625 1.00 0.00 H new ATOM 0 HD22 ASN A 67 105.414 -2.782 10.541 1.00 0.00 H new ATOM 931 N GLY A 68 105.125 2.081 12.724 1.00 0.00 N ATOM 932 CA GLY A 68 105.371 3.539 12.530 1.00 0.00 C ATOM 933 C GLY A 68 105.539 3.843 11.045 1.00 0.00 C ATOM 934 O GLY A 68 106.565 4.331 10.611 1.00 0.00 O ATOM 0 H GLY A 68 104.271 1.726 12.294 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.539 4.114 12.936 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.265 3.842 13.076 1.00 0.00 H new ATOM 938 N ASN A 69 104.526 3.576 10.268 1.00 0.00 N ATOM 939 CA ASN A 69 104.592 3.860 8.808 1.00 0.00 C ATOM 940 C ASN A 69 103.172 3.928 8.255 1.00 0.00 C ATOM 941 O ASN A 69 102.269 3.308 8.791 1.00 0.00 O ATOM 942 CB ASN A 69 105.366 2.690 8.196 1.00 0.00 C ATOM 943 CG ASN A 69 105.708 3.005 6.737 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.675 4.147 6.322 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.040 2.031 5.934 1.00 0.00 N ATOM 0 H ASN A 69 103.647 3.169 10.586 1.00 0.00 H new ATOM 0 HA ASN A 69 105.081 4.808 8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.279 2.509 8.763 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.771 1.779 8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.271 2.229 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.068 1.072 6.280 1.00 0.00 H new ATOM 952 N SER A 70 102.951 4.683 7.209 1.00 0.00 N ATOM 953 CA SER A 70 101.569 4.784 6.660 1.00 0.00 C ATOM 954 C SER A 70 101.562 5.172 5.180 1.00 0.00 C ATOM 955 O SER A 70 102.540 5.631 4.625 1.00 0.00 O ATOM 956 CB SER A 70 100.894 5.868 7.495 1.00 0.00 C ATOM 957 OG SER A 70 101.530 7.115 7.248 1.00 0.00 O ATOM 0 H SER A 70 103.660 5.227 6.717 1.00 0.00 H new ATOM 0 HA SER A 70 101.055 3.824 6.715 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.835 5.931 7.243 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.956 5.619 8.554 1.00 0.00 H new ATOM 0 HG SER A 70 101.334 7.733 7.983 1.00 0.00 H new ATOM 963 N ILE A 71 100.433 4.985 4.558 1.00 0.00 N ATOM 964 CA ILE A 71 100.251 5.320 3.119 1.00 0.00 C ATOM 965 C ILE A 71 98.827 5.834 2.930 1.00 0.00 C ATOM 966 O ILE A 71 97.993 5.656 3.801 1.00 0.00 O ATOM 967 CB ILE A 71 100.456 4.004 2.359 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.484 2.935 2.869 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.893 3.520 2.556 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.530 1.725 1.937 1.00 0.00 C ATOM 0 H ILE A 71 99.600 4.600 5.004 1.00 0.00 H new ATOM 0 HA ILE A 71 100.944 6.083 2.764 1.00 0.00 H new ATOM 0 HB ILE A 71 100.266 4.177 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.752 2.638 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.472 3.338 2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 71 102.039 2.585 2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.585 4.271 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 71 102.080 3.359 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.840 0.962 2.297 1.00 0.00 H new ATOM 0 HD12 ILE A 71 99.242 2.030 0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.541 1.319 1.918 1.00 0.00 H new ATOM 982 N PHE A 72 98.522 6.454 1.816 1.00 0.00 N ATOM 983 CA PHE A 72 97.127 6.948 1.624 1.00 0.00 C ATOM 984 C PHE A 72 96.408 6.050 0.617 1.00 0.00 C ATOM 985 O PHE A 72 96.855 5.889 -0.499 1.00 0.00 O ATOM 986 CB PHE A 72 97.267 8.369 1.075 1.00 0.00 C ATOM 987 CG PHE A 72 97.968 9.241 2.089 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.394 9.449 3.348 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.189 9.845 1.767 1.00 0.00 C ATOM 990 CE1 PHE A 72 98.042 10.262 4.286 1.00 0.00 C ATOM 991 CE2 PHE A 72 99.837 10.658 2.705 1.00 0.00 C ATOM 992 CZ PHE A 72 99.263 10.866 3.965 1.00 0.00 C ATOM 0 H PHE A 72 99.166 6.636 1.046 1.00 0.00 H new ATOM 0 HA PHE A 72 96.549 6.937 2.548 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.831 8.355 0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.283 8.779 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.452 8.983 3.596 1.00 0.00 H new ATOM 0 HD2 PHE A 72 99.631 9.684 0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.599 10.423 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 72 100.779 11.124 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 72 99.762 11.493 4.689 1.00 0.00 H new ATOM 1002 N ILE A 73 95.304 5.468 1.005 1.00 0.00 N ATOM 1003 CA ILE A 73 94.559 4.577 0.064 1.00 0.00 C ATOM 1004 C ILE A 73 93.148 5.122 -0.160 1.00 0.00 C ATOM 1005 O ILE A 73 92.449 5.465 0.776 1.00 0.00 O ATOM 1006 CB ILE A 73 94.554 3.193 0.723 1.00 0.00 C ATOM 1007 CG1 ILE A 73 96.005 2.698 0.822 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.731 2.213 -0.124 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.062 1.316 1.483 1.00 0.00 C ATOM 0 H ILE A 73 94.886 5.570 1.930 1.00 0.00 H new ATOM 0 HA ILE A 73 95.021 4.523 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 73 94.109 3.256 1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.447 2.649 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 73 96.598 3.407 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.732 1.232 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.706 2.575 -0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 73 94.169 2.135 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.098 0.984 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.641 1.375 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.487 0.605 0.890 1.00 0.00 H new ATOM 1021 N ARG A 74 92.736 5.219 -1.394 1.00 0.00 N ATOM 1022 CA ARG A 74 91.385 5.759 -1.700 1.00 0.00 C ATOM 1023 C ARG A 74 90.398 4.601 -1.855 1.00 0.00 C ATOM 1024 O ARG A 74 90.695 3.591 -2.466 1.00 0.00 O ATOM 1025 CB ARG A 74 91.587 6.523 -3.006 1.00 0.00 C ATOM 1026 CG ARG A 74 90.354 7.355 -3.350 1.00 0.00 C ATOM 1027 CD ARG A 74 90.618 8.095 -4.666 1.00 0.00 C ATOM 1028 NE ARG A 74 89.482 9.047 -4.814 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.699 10.264 -5.230 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.614 10.996 -4.658 1.00 0.00 N ATOM 1031 NH2 ARG A 74 89.000 10.749 -6.221 1.00 0.00 N1+ ATOM 0 H ARG A 74 93.284 4.944 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 74 90.975 6.402 -0.921 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.457 7.174 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.793 5.821 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.478 6.713 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 74 90.142 8.066 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 74 91.572 8.622 -4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 74 90.662 7.401 -5.506 1.00 0.00 H new ATOM 0 HE ARG A 74 88.533 8.747 -4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 74 91.161 10.617 -3.885 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.783 11.948 -4.984 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.285 10.176 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.169 11.701 -6.547 1.00 0.00 H new ATOM 1045 N GLY A 75 89.229 4.741 -1.283 1.00 0.00 N ATOM 1046 CA GLY A 75 88.208 3.655 -1.359 1.00 0.00 C ATOM 1047 C GLY A 75 87.894 3.322 -2.818 1.00 0.00 C ATOM 1048 O GLY A 75 87.959 4.168 -3.689 1.00 0.00 O ATOM 0 H GLY A 75 88.937 5.568 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.575 2.765 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.298 3.966 -0.846 1.00 0.00 H new ATOM 1052 N VAL A 76 87.544 2.094 -3.080 1.00 0.00 N ATOM 1053 CA VAL A 76 87.205 1.661 -4.467 1.00 0.00 C ATOM 1054 C VAL A 76 86.260 0.440 -4.410 1.00 0.00 C ATOM 1055 O VAL A 76 85.264 0.388 -5.111 1.00 0.00 O ATOM 1056 CB VAL A 76 88.565 1.337 -5.130 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.101 -0.032 -4.685 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.395 1.343 -6.650 1.00 0.00 C ATOM 0 H VAL A 76 87.477 1.357 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 76 86.676 2.420 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 76 89.283 2.096 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.057 -0.224 -5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.237 -0.035 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.390 -0.809 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.350 1.115 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.659 0.592 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 76 88.054 2.326 -6.974 1.00 0.00 H new ATOM 1068 N ASP A 77 86.542 -0.519 -3.555 1.00 0.00 N ATOM 1069 CA ASP A 77 85.653 -1.717 -3.418 1.00 0.00 C ATOM 1070 C ASP A 77 85.371 -1.967 -1.934 1.00 0.00 C ATOM 1071 O ASP A 77 85.984 -1.366 -1.075 1.00 0.00 O ATOM 1072 CB ASP A 77 86.427 -2.894 -4.011 1.00 0.00 C ATOM 1073 CG ASP A 77 85.474 -4.084 -4.205 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.146 -4.723 -3.218 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 85.104 -4.350 -5.337 1.00 0.00 O ATOM 0 H ASP A 77 87.357 -0.521 -2.942 1.00 0.00 H new ATOM 0 HA ASP A 77 84.700 -1.578 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 77 86.870 -2.609 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.247 -3.174 -3.350 1.00 0.00 H new ATOM 1080 N SER A 78 84.440 -2.834 -1.627 1.00 0.00 N ATOM 1081 CA SER A 78 84.110 -3.110 -0.195 1.00 0.00 C ATOM 1082 C SER A 78 84.926 -4.282 0.356 1.00 0.00 C ATOM 1083 O SER A 78 85.409 -5.123 -0.379 1.00 0.00 O ATOM 1084 CB SER A 78 82.619 -3.449 -0.191 1.00 0.00 C ATOM 1085 OG SER A 78 82.406 -4.636 -0.943 1.00 0.00 O ATOM 0 H SER A 78 83.893 -3.363 -2.306 1.00 0.00 H new ATOM 0 HA SER A 78 84.346 -2.255 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.268 -3.585 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.046 -2.626 -0.618 1.00 0.00 H new ATOM 0 HG SER A 78 81.451 -4.857 -0.941 1.00 0.00 H new ATOM 1091 N GLY A 79 85.069 -4.335 1.657 1.00 0.00 N ATOM 1092 CA GLY A 79 85.839 -5.439 2.294 1.00 0.00 C ATOM 1093 C GLY A 79 84.955 -6.143 3.325 1.00 0.00 C ATOM 1094 O GLY A 79 84.137 -5.523 3.979 1.00 0.00 O ATOM 0 H GLY A 79 84.680 -3.653 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 79 86.171 -6.150 1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.734 -5.043 2.775 1.00 0.00 H new ATOM 1098 N ARG A 80 85.125 -7.427 3.481 1.00 0.00 N ATOM 1099 CA ARG A 80 84.309 -8.185 4.481 1.00 0.00 C ATOM 1100 C ARG A 80 84.557 -7.636 5.891 1.00 0.00 C ATOM 1101 O ARG A 80 83.684 -7.659 6.738 1.00 0.00 O ATOM 1102 CB ARG A 80 84.785 -9.633 4.377 1.00 0.00 C ATOM 1103 CG ARG A 80 84.326 -10.224 3.043 1.00 0.00 C ATOM 1104 CD ARG A 80 84.801 -11.674 2.933 1.00 0.00 C ATOM 1105 NE ARG A 80 84.453 -12.086 1.545 1.00 0.00 N ATOM 1106 CZ ARG A 80 83.309 -12.666 1.302 1.00 0.00 C ATOM 1107 NH1 ARG A 80 83.028 -13.813 1.858 1.00 0.00 N1+ ATOM 1108 NH2 ARG A 80 82.446 -12.098 0.505 1.00 0.00 N ATOM 0 H ARG A 80 85.796 -7.989 2.958 1.00 0.00 H new ATOM 0 HA ARG A 80 83.240 -8.098 4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.872 -9.676 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 80 84.385 -10.219 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 80 83.239 -10.180 2.969 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.726 -9.636 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.873 -11.753 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 80 84.307 -12.309 3.669 1.00 0.00 H new ATOM 0 HE ARG A 80 85.109 -11.915 0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 80 83.702 -14.256 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 80 82.134 -14.266 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 80 82.665 -11.201 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 80 81.552 -12.551 0.315 1.00 0.00 H new ATOM 1122 N GLY A 81 85.745 -7.142 6.139 1.00 0.00 N ATOM 1123 CA GLY A 81 86.055 -6.586 7.491 1.00 0.00 C ATOM 1124 C GLY A 81 87.552 -6.297 7.623 1.00 0.00 C ATOM 1125 O GLY A 81 88.273 -7.025 8.280 1.00 0.00 O ATOM 0 H GLY A 81 86.510 -7.100 5.466 1.00 0.00 H new ATOM 0 HA2 GLY A 81 85.486 -5.670 7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.746 -7.293 8.261 1.00 0.00 H new ATOM 1129 N GLY A 82 88.017 -5.225 7.029 1.00 0.00 N ATOM 1130 CA GLY A 82 89.465 -4.882 7.155 1.00 0.00 C ATOM 1131 C GLY A 82 90.003 -4.277 5.857 1.00 0.00 C ATOM 1132 O GLY A 82 89.496 -4.522 4.780 1.00 0.00 O ATOM 0 H GLY A 82 87.462 -4.579 6.468 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.605 -4.176 7.974 1.00 0.00 H new ATOM 0 HA3 GLY A 82 90.034 -5.778 7.405 1.00 0.00 H new ATOM 1136 N PHE A 83 91.044 -3.495 5.969 1.00 0.00 N ATOM 1137 CA PHE A 83 91.668 -2.858 4.764 1.00 0.00 C ATOM 1138 C PHE A 83 92.316 -3.921 3.875 1.00 0.00 C ATOM 1139 O PHE A 83 93.303 -4.522 4.251 1.00 0.00 O ATOM 1140 CB PHE A 83 92.780 -1.947 5.321 1.00 0.00 C ATOM 1141 CG PHE A 83 92.439 -0.494 5.132 1.00 0.00 C ATOM 1142 CD1 PHE A 83 92.107 -0.006 3.862 1.00 0.00 C ATOM 1143 CD2 PHE A 83 92.473 0.373 6.230 1.00 0.00 C ATOM 1144 CE1 PHE A 83 91.806 1.351 3.693 1.00 0.00 C ATOM 1145 CE2 PHE A 83 92.168 1.726 6.063 1.00 0.00 C ATOM 1146 CZ PHE A 83 91.835 2.218 4.794 1.00 0.00 C ATOM 0 H PHE A 83 91.497 -3.266 6.854 1.00 0.00 H new ATOM 0 HA PHE A 83 90.928 -2.321 4.171 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.926 -2.154 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 83 93.722 -2.170 4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 83 92.083 -0.675 3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 83 92.735 -0.004 7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 83 91.551 1.730 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 83 92.189 2.393 6.912 1.00 0.00 H new ATOM 0 HZ PHE A 83 91.601 3.264 4.664 1.00 0.00 H new ATOM 1156 N ASN A 84 91.811 -4.117 2.682 1.00 0.00 N ATOM 1157 CA ASN A 84 92.459 -5.101 1.765 1.00 0.00 C ATOM 1158 C ASN A 84 93.082 -4.293 0.628 1.00 0.00 C ATOM 1159 O ASN A 84 92.382 -3.571 -0.053 1.00 0.00 O ATOM 1160 CB ASN A 84 91.333 -6.008 1.266 1.00 0.00 C ATOM 1161 CG ASN A 84 91.925 -7.134 0.421 1.00 0.00 C ATOM 1162 OD1 ASN A 84 92.468 -6.893 -0.637 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.843 -8.364 0.848 1.00 0.00 N ATOM 0 H ASN A 84 90.988 -3.644 2.308 1.00 0.00 H new ATOM 0 HA ASN A 84 93.236 -5.708 2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.784 -6.423 2.111 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.621 -5.431 0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.236 -9.124 0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 84 91.386 -8.566 1.738 1.00 0.00 H new ATOM 1170 N VAL A 85 94.377 -4.348 0.438 1.00 0.00 N ATOM 1171 CA VAL A 85 94.988 -3.502 -0.638 1.00 0.00 C ATOM 1172 C VAL A 85 95.926 -4.294 -1.539 1.00 0.00 C ATOM 1173 O VAL A 85 96.170 -5.473 -1.340 1.00 0.00 O ATOM 1174 CB VAL A 85 95.786 -2.417 0.103 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.840 -1.537 0.923 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.812 -3.070 1.039 1.00 0.00 C ATOM 0 H VAL A 85 95.027 -4.928 0.968 1.00 0.00 H new ATOM 0 HA VAL A 85 94.211 -3.098 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 85 96.305 -1.801 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.415 -0.772 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.119 -1.060 0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.311 -2.152 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.374 -2.295 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.295 -3.695 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.498 -3.684 0.455 1.00 0.00 H new ATOM 1186 N ASN A 86 96.452 -3.637 -2.543 1.00 0.00 N ATOM 1187 CA ASN A 86 97.392 -4.313 -3.486 1.00 0.00 C ATOM 1188 C ASN A 86 98.567 -4.927 -2.714 1.00 0.00 C ATOM 1189 O ASN A 86 98.954 -4.413 -1.681 1.00 0.00 O ATOM 1190 CB ASN A 86 97.927 -3.199 -4.390 1.00 0.00 C ATOM 1191 CG ASN A 86 96.796 -2.583 -5.210 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.634 -2.853 -4.977 1.00 0.00 O ATOM 1193 ND2 ASN A 86 97.092 -1.750 -6.170 1.00 0.00 N ATOM 0 H ASN A 86 96.269 -2.655 -2.750 1.00 0.00 H new ATOM 0 HA ASN A 86 96.896 -5.109 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.405 -2.429 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.691 -3.600 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 86 96.348 -1.326 -6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 86 98.067 -1.523 -6.366 1.00 0.00 H new ATOM 1200 N PRO A 87 99.121 -5.991 -3.242 1.00 0.00 N ATOM 1201 CA PRO A 87 100.279 -6.633 -2.581 1.00 0.00 C ATOM 1202 C PRO A 87 101.484 -5.689 -2.595 1.00 0.00 C ATOM 1203 O PRO A 87 102.405 -5.862 -1.825 1.00 0.00 O ATOM 1204 CB PRO A 87 100.526 -7.892 -3.411 1.00 0.00 C ATOM 1205 CG PRO A 87 99.933 -7.585 -4.746 1.00 0.00 C ATOM 1206 CD PRO A 87 98.750 -6.692 -4.484 1.00 0.00 C ATOM 0 HA PRO A 87 100.104 -6.871 -1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.591 -8.111 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.054 -8.764 -2.959 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.660 -7.090 -5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.626 -8.499 -5.255 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.583 -5.994 -5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.832 -7.267 -4.362 1.00 0.00 H new ATOM 1214 N THR A 88 101.482 -4.672 -3.428 1.00 0.00 N ATOM 1215 CA THR A 88 102.627 -3.712 -3.439 1.00 0.00 C ATOM 1216 C THR A 88 102.447 -2.700 -2.301 1.00 0.00 C ATOM 1217 O THR A 88 103.392 -2.359 -1.614 1.00 0.00 O ATOM 1218 CB THR A 88 102.572 -3.031 -4.802 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.725 -4.005 -5.824 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.687 -1.988 -4.914 1.00 0.00 C ATOM 0 H THR A 88 100.739 -4.469 -4.096 1.00 0.00 H new ATOM 0 HA THR A 88 103.591 -4.198 -3.288 1.00 0.00 H new ATOM 0 HB THR A 88 101.609 -2.533 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.688 -3.568 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.639 -1.507 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.562 -1.237 -4.134 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.655 -2.476 -4.797 1.00 0.00 H new ATOM 1228 N ALA A 89 101.239 -2.239 -2.079 1.00 0.00 N ATOM 1229 CA ALA A 89 101.002 -1.274 -0.965 1.00 0.00 C ATOM 1230 C ALA A 89 101.267 -1.987 0.356 1.00 0.00 C ATOM 1231 O ALA A 89 101.845 -1.432 1.272 1.00 0.00 O ATOM 1232 CB ALA A 89 99.530 -0.860 -1.081 1.00 0.00 C ATOM 0 H ALA A 89 100.411 -2.490 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 89 101.652 -0.400 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.288 -0.150 -0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.358 -0.395 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.896 -1.741 -0.984 1.00 0.00 H new ATOM 1238 N PHE A 90 100.855 -3.220 0.448 1.00 0.00 N ATOM 1239 CA PHE A 90 101.085 -4.001 1.704 1.00 0.00 C ATOM 1240 C PHE A 90 102.586 -4.116 2.006 1.00 0.00 C ATOM 1241 O PHE A 90 103.022 -3.870 3.115 1.00 0.00 O ATOM 1242 CB PHE A 90 100.506 -5.392 1.415 1.00 0.00 C ATOM 1243 CG PHE A 90 100.609 -6.252 2.652 1.00 0.00 C ATOM 1244 CD1 PHE A 90 99.562 -6.268 3.581 1.00 0.00 C ATOM 1245 CD2 PHE A 90 101.754 -7.030 2.875 1.00 0.00 C ATOM 1246 CE1 PHE A 90 99.656 -7.060 4.731 1.00 0.00 C ATOM 1247 CE2 PHE A 90 101.847 -7.822 4.026 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.799 -7.838 4.953 1.00 0.00 C ATOM 0 H PHE A 90 100.367 -3.725 -0.292 1.00 0.00 H new ATOM 0 HA PHE A 90 100.621 -3.523 2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.464 -5.306 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.046 -5.857 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.680 -5.668 3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.563 -7.018 2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.847 -7.071 5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.729 -8.421 4.198 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.872 -8.450 5.840 1.00 0.00 H new ATOM 1258 N THR A 91 103.370 -4.516 1.038 1.00 0.00 N ATOM 1259 CA THR A 91 104.843 -4.685 1.272 1.00 0.00 C ATOM 1260 C THR A 91 105.490 -3.363 1.686 1.00 0.00 C ATOM 1261 O THR A 91 106.376 -3.323 2.514 1.00 0.00 O ATOM 1262 CB THR A 91 105.418 -5.145 -0.073 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.780 -6.345 -0.465 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.921 -5.407 0.065 1.00 0.00 C ATOM 0 H THR A 91 103.056 -4.734 0.092 1.00 0.00 H new ATOM 0 HA THR A 91 105.036 -5.398 2.074 1.00 0.00 H new ATOM 0 HB THR A 91 105.250 -4.368 -0.819 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.982 -6.134 -0.993 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.323 -5.733 -0.894 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.423 -4.491 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.088 -6.183 0.812 1.00 0.00 H new ATOM 1272 N LYS A 92 105.079 -2.292 1.071 1.00 0.00 N ATOM 1273 CA LYS A 92 105.695 -0.968 1.388 1.00 0.00 C ATOM 1274 C LYS A 92 105.332 -0.509 2.801 1.00 0.00 C ATOM 1275 O LYS A 92 106.154 0.050 3.505 1.00 0.00 O ATOM 1276 CB LYS A 92 105.116 -0.009 0.351 1.00 0.00 C ATOM 1277 CG LYS A 92 105.688 -0.347 -1.028 1.00 0.00 C ATOM 1278 CD LYS A 92 105.114 0.608 -2.077 1.00 0.00 C ATOM 1279 CE LYS A 92 105.694 0.259 -3.453 1.00 0.00 C ATOM 1280 NZ LYS A 92 104.946 1.107 -4.429 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.345 -2.272 0.363 1.00 0.00 H new ATOM 0 HA LYS A 92 106.784 -1.013 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 92 104.029 -0.086 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.359 1.020 0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.775 -0.270 -1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.446 -1.377 -1.290 1.00 0.00 H new ATOM 0 HD2 LYS A 92 104.027 0.532 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.357 1.639 -1.818 1.00 0.00 H new ATOM 0 HE2 LYS A 92 106.763 0.466 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 92 105.566 -0.800 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 105.293 0.918 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.932 0.884 -4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 105.091 2.111 -4.200 1.00 0.00 H new ATOM 1294 N LEU A 93 104.113 -0.722 3.211 1.00 0.00 N ATOM 1295 CA LEU A 93 103.699 -0.275 4.576 1.00 0.00 C ATOM 1296 C LEU A 93 104.302 -1.166 5.668 1.00 0.00 C ATOM 1297 O LEU A 93 104.738 -0.681 6.697 1.00 0.00 O ATOM 1298 CB LEU A 93 102.172 -0.373 4.585 1.00 0.00 C ATOM 1299 CG LEU A 93 101.621 0.065 5.949 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.916 1.550 6.174 1.00 0.00 C ATOM 1301 CD2 LEU A 93 100.109 -0.161 5.983 1.00 0.00 C ATOM 0 H LEU A 93 103.386 -1.184 2.665 1.00 0.00 H new ATOM 0 HA LEU A 93 104.050 0.736 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.755 0.255 3.798 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.865 -1.397 4.372 1.00 0.00 H new ATOM 0 HG LEU A 93 102.098 -0.521 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.523 1.856 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.993 1.715 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.442 2.138 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.716 0.150 6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.636 0.424 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.896 -1.219 5.827 1.00 0.00 H new ATOM 1313 N VAL A 94 104.291 -2.460 5.477 1.00 0.00 N ATOM 1314 CA VAL A 94 104.823 -3.383 6.537 1.00 0.00 C ATOM 1315 C VAL A 94 106.308 -3.683 6.326 1.00 0.00 C ATOM 1316 O VAL A 94 107.084 -3.708 7.263 1.00 0.00 O ATOM 1317 CB VAL A 94 103.991 -4.665 6.406 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.406 -5.672 7.484 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.503 -4.339 6.574 1.00 0.00 C ATOM 0 H VAL A 94 103.939 -2.921 4.638 1.00 0.00 H new ATOM 0 HA VAL A 94 104.744 -2.937 7.528 1.00 0.00 H new ATOM 0 HB VAL A 94 104.164 -5.095 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.810 -6.579 7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.462 -5.916 7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.242 -5.238 8.470 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.917 -5.253 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.335 -3.900 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.196 -3.631 5.804 1.00 0.00 H new ATOM 1329 N GLY A 95 106.700 -3.916 5.107 1.00 0.00 N ATOM 1330 CA GLY A 95 108.129 -4.226 4.815 1.00 0.00 C ATOM 1331 C GLY A 95 108.213 -5.511 3.990 1.00 0.00 C ATOM 1332 O GLY A 95 109.097 -5.672 3.170 1.00 0.00 O ATOM 0 H GLY A 95 106.087 -3.905 4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.587 -3.401 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.685 -4.341 5.746 1.00 0.00 H new ATOM 1336 N SER A 96 107.295 -6.423 4.195 1.00 0.00 N ATOM 1337 CA SER A 96 107.315 -7.699 3.415 1.00 0.00 C ATOM 1338 C SER A 96 105.904 -8.296 3.327 1.00 0.00 C ATOM 1339 O SER A 96 105.007 -7.889 4.041 1.00 0.00 O ATOM 1340 CB SER A 96 108.251 -8.629 4.186 1.00 0.00 C ATOM 1341 OG SER A 96 107.681 -8.925 5.454 1.00 0.00 O ATOM 0 H SER A 96 106.533 -6.339 4.868 1.00 0.00 H new ATOM 0 HA SER A 96 107.654 -7.546 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.413 -9.549 3.624 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.226 -8.158 4.314 1.00 0.00 H new ATOM 0 HG SER A 96 108.279 -9.523 5.950 1.00 0.00 H new ATOM 1347 N THR A 97 105.701 -9.251 2.449 1.00 0.00 N ATOM 1348 CA THR A 97 104.340 -9.869 2.305 1.00 0.00 C ATOM 1349 C THR A 97 104.199 -11.141 3.156 1.00 0.00 C ATOM 1350 O THR A 97 103.166 -11.784 3.149 1.00 0.00 O ATOM 1351 CB THR A 97 104.199 -10.231 0.819 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.134 -11.253 0.490 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.452 -9.001 -0.053 1.00 0.00 C ATOM 0 H THR A 97 106.416 -9.629 1.827 1.00 0.00 H new ATOM 0 HA THR A 97 103.571 -9.175 2.643 1.00 0.00 H new ATOM 0 HB THR A 97 103.186 -10.588 0.635 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.044 -11.486 -0.458 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.349 -9.272 -1.104 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.728 -8.225 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.460 -8.628 0.128 1.00 0.00 H new ATOM 1361 N GLU A 98 105.227 -11.516 3.867 1.00 0.00 N ATOM 1362 CA GLU A 98 105.161 -12.759 4.702 1.00 0.00 C ATOM 1363 C GLU A 98 104.242 -12.577 5.918 1.00 0.00 C ATOM 1364 O GLU A 98 103.705 -13.536 6.441 1.00 0.00 O ATOM 1365 CB GLU A 98 106.597 -13.017 5.155 1.00 0.00 C ATOM 1366 CG GLU A 98 107.479 -13.284 3.932 1.00 0.00 C ATOM 1367 CD GLU A 98 108.930 -13.546 4.364 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.237 -13.350 5.530 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.713 -13.936 3.514 1.00 0.00 O1- ATOM 0 H GLU A 98 106.115 -11.016 3.909 1.00 0.00 H new ATOM 0 HA GLU A 98 104.749 -13.592 4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.975 -12.157 5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.628 -13.871 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.096 -14.143 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.443 -12.430 3.256 1.00 0.00 H new ATOM 1376 N ALA A 99 104.076 -11.366 6.385 1.00 0.00 N ATOM 1377 CA ALA A 99 103.213 -11.134 7.588 1.00 0.00 C ATOM 1378 C ALA A 99 101.778 -11.601 7.329 1.00 0.00 C ATOM 1379 O ALA A 99 101.143 -12.177 8.195 1.00 0.00 O ATOM 1380 CB ALA A 99 103.245 -9.623 7.826 1.00 0.00 C ATOM 0 H ALA A 99 104.499 -10.527 5.988 1.00 0.00 H new ATOM 0 HA ALA A 99 103.573 -11.693 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.633 -9.378 8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.272 -9.304 8.005 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.853 -9.108 6.949 1.00 0.00 H new ATOM 1386 N GLY A 100 101.262 -11.361 6.152 1.00 0.00 N ATOM 1387 CA GLY A 100 99.868 -11.792 5.841 1.00 0.00 C ATOM 1388 C GLY A 100 98.893 -10.659 6.171 1.00 0.00 C ATOM 1389 O GLY A 100 98.282 -10.083 5.290 1.00 0.00 O ATOM 0 H GLY A 100 101.747 -10.884 5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.786 -12.060 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.615 -12.682 6.417 1.00 0.00 H new ATOM 1393 N ARG A 101 98.743 -10.337 7.434 1.00 0.00 N ATOM 1394 CA ARG A 101 97.807 -9.242 7.822 1.00 0.00 C ATOM 1395 C ARG A 101 98.254 -8.574 9.128 1.00 0.00 C ATOM 1396 O ARG A 101 98.998 -9.144 9.904 1.00 0.00 O ATOM 1397 CB ARG A 101 96.454 -9.929 8.005 1.00 0.00 C ATOM 1398 CG ARG A 101 96.546 -10.994 9.103 1.00 0.00 C ATOM 1399 CD ARG A 101 95.165 -11.616 9.310 1.00 0.00 C ATOM 1400 NE ARG A 101 95.403 -12.853 10.108 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.435 -13.709 10.289 1.00 0.00 C ATOM 1402 NH1 ARG A 101 93.938 -14.357 9.271 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 93.962 -13.916 11.488 1.00 0.00 N ATOM 0 H ARG A 101 99.229 -10.786 8.210 1.00 0.00 H new ATOM 0 HA ARG A 101 97.771 -8.453 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.696 -9.191 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 101 96.142 -10.389 7.067 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.267 -11.762 8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.901 -10.547 10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.500 -10.931 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.692 -11.849 8.356 1.00 0.00 H new ATOM 0 HE ARG A 101 96.323 -13.030 10.512 1.00 0.00 H new ATOM 0 HH11 ARG A 101 94.306 -14.194 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 101 93.181 -15.026 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 101 94.349 -13.409 12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 101 93.205 -14.585 11.629 1.00 0.00 H new ATOM 1417 N VAL A 102 97.789 -7.375 9.378 1.00 0.00 N ATOM 1418 CA VAL A 102 98.167 -6.669 10.641 1.00 0.00 C ATOM 1419 C VAL A 102 96.916 -6.118 11.325 1.00 0.00 C ATOM 1420 O VAL A 102 96.262 -5.228 10.819 1.00 0.00 O ATOM 1421 CB VAL A 102 99.098 -5.528 10.213 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.576 -4.763 11.449 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.311 -6.101 9.473 1.00 0.00 C ATOM 0 H VAL A 102 97.164 -6.855 8.762 1.00 0.00 H new ATOM 0 HA VAL A 102 98.655 -7.335 11.353 1.00 0.00 H new ATOM 0 HB VAL A 102 98.555 -4.852 9.553 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.237 -3.953 11.142 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.716 -4.350 11.976 1.00 0.00 H new ATOM 0 HG13 VAL A 102 100.115 -5.441 12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.970 -5.287 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.852 -6.780 10.132 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.975 -6.644 8.589 1.00 0.00 H new ATOM 1433 N ASP A 103 96.578 -6.654 12.465 1.00 0.00 N ATOM 1434 CA ASP A 103 95.365 -6.181 13.194 1.00 0.00 C ATOM 1435 C ASP A 103 95.653 -4.889 13.964 1.00 0.00 C ATOM 1436 O ASP A 103 96.786 -4.468 14.096 1.00 0.00 O ATOM 1437 CB ASP A 103 94.999 -7.326 14.146 1.00 0.00 C ATOM 1438 CG ASP A 103 96.133 -7.583 15.151 1.00 0.00 C ATOM 1439 OD1 ASP A 103 97.252 -7.179 14.882 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 95.856 -8.184 16.175 1.00 0.00 O ATOM 0 H ASP A 103 97.092 -7.404 12.927 1.00 0.00 H new ATOM 0 HA ASP A 103 94.547 -5.945 12.513 1.00 0.00 H new ATOM 0 HB2 ASP A 103 94.081 -7.081 14.681 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.802 -8.232 13.573 1.00 0.00 H new ATOM 1445 N ASN A 104 94.622 -4.263 14.480 1.00 0.00 N ATOM 1446 CA ASN A 104 94.791 -2.992 15.261 1.00 0.00 C ATOM 1447 C ASN A 104 95.438 -1.889 14.412 1.00 0.00 C ATOM 1448 O ASN A 104 96.260 -1.130 14.888 1.00 0.00 O ATOM 1449 CB ASN A 104 95.685 -3.350 16.455 1.00 0.00 C ATOM 1450 CG ASN A 104 95.618 -2.233 17.499 1.00 0.00 C ATOM 1451 OD1 ASN A 104 95.270 -1.111 17.188 1.00 0.00 O ATOM 1452 ND2 ASN A 104 95.935 -2.497 18.738 1.00 0.00 N ATOM 0 H ASN A 104 93.657 -4.582 14.393 1.00 0.00 H new ATOM 0 HA ASN A 104 93.825 -2.601 15.580 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.361 -4.293 16.895 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.714 -3.490 16.123 1.00 0.00 H new ATOM 0 HD21 ASN A 104 95.890 -1.762 19.444 1.00 0.00 H new ATOM 0 HD22 ASN A 104 96.227 -3.438 19.000 1.00 0.00 H new ATOM 1459 N VAL A 105 95.053 -1.791 13.166 1.00 0.00 N ATOM 1460 CA VAL A 105 95.626 -0.724 12.285 1.00 0.00 C ATOM 1461 C VAL A 105 94.833 0.574 12.475 1.00 0.00 C ATOM 1462 O VAL A 105 93.621 0.576 12.411 1.00 0.00 O ATOM 1463 CB VAL A 105 95.478 -1.247 10.852 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.941 -0.185 9.844 1.00 0.00 C ATOM 1465 CG2 VAL A 105 96.332 -2.505 10.681 1.00 0.00 C ATOM 0 H VAL A 105 94.368 -2.401 12.719 1.00 0.00 H new ATOM 0 HA VAL A 105 96.669 -0.508 12.518 1.00 0.00 H new ATOM 0 HB VAL A 105 94.429 -1.478 10.669 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.830 -0.572 8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.335 0.714 9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.988 0.058 10.027 1.00 0.00 H new ATOM 0 HG21 VAL A 105 96.229 -2.879 9.663 1.00 0.00 H new ATOM 0 HG22 VAL A 105 97.377 -2.264 10.875 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.999 -3.269 11.384 1.00 0.00 H new ATOM 1475 N ASN A 106 95.498 1.678 12.707 1.00 0.00 N ATOM 1476 CA ASN A 106 94.744 2.954 12.893 1.00 0.00 C ATOM 1477 C ASN A 106 94.491 3.602 11.531 1.00 0.00 C ATOM 1478 O ASN A 106 95.334 3.596 10.656 1.00 0.00 O ATOM 1479 CB ASN A 106 95.608 3.836 13.791 1.00 0.00 C ATOM 1480 CG ASN A 106 95.746 3.185 15.168 1.00 0.00 C ATOM 1481 OD1 ASN A 106 96.800 2.693 15.517 1.00 0.00 O ATOM 1482 ND2 ASN A 106 94.717 3.161 15.971 1.00 0.00 N ATOM 0 H ASN A 106 96.513 1.751 12.775 1.00 0.00 H new ATOM 0 HA ASN A 106 93.769 2.795 13.353 1.00 0.00 H new ATOM 0 HB2 ASN A 106 96.592 3.975 13.343 1.00 0.00 H new ATOM 0 HB3 ASN A 106 95.159 4.824 13.888 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.798 2.729 16.891 1.00 0.00 H new ATOM 0 HD22 ASN A 106 93.832 3.574 15.678 1.00 0.00 H new ATOM 1489 N TYR A 107 93.315 4.141 11.355 1.00 0.00 N ATOM 1490 CA TYR A 107 92.953 4.780 10.054 1.00 0.00 C ATOM 1491 C TYR A 107 92.196 6.090 10.285 1.00 0.00 C ATOM 1492 O TYR A 107 91.402 6.200 11.200 1.00 0.00 O ATOM 1493 CB TYR A 107 92.035 3.766 9.355 1.00 0.00 C ATOM 1494 CG TYR A 107 90.857 3.432 10.244 1.00 0.00 C ATOM 1495 CD1 TYR A 107 89.695 4.209 10.191 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.940 2.356 11.134 1.00 0.00 C ATOM 1497 CE1 TYR A 107 88.613 3.908 11.025 1.00 0.00 C ATOM 1498 CE2 TYR A 107 89.859 2.054 11.970 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.694 2.830 11.916 1.00 0.00 C ATOM 1500 OH TYR A 107 87.629 2.533 12.741 1.00 0.00 O ATOM 0 H TYR A 107 92.581 4.167 12.063 1.00 0.00 H new ATOM 0 HA TYR A 107 93.837 5.021 9.464 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.682 4.176 8.409 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.593 2.859 9.121 1.00 0.00 H new ATOM 0 HD1 TYR A 107 89.633 5.042 9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 107 91.838 1.758 11.176 1.00 0.00 H new ATOM 0 HE1 TYR A 107 87.715 4.507 10.982 1.00 0.00 H new ATOM 0 HE2 TYR A 107 89.923 1.223 12.657 1.00 0.00 H new ATOM 0 HH TYR A 107 87.851 1.756 13.295 1.00 0.00 H new ATOM 1510 N VAL A 108 92.431 7.079 9.459 1.00 0.00 N ATOM 1511 CA VAL A 108 91.715 8.383 9.631 1.00 0.00 C ATOM 1512 C VAL A 108 91.509 9.069 8.280 1.00 0.00 C ATOM 1513 O VAL A 108 92.310 8.933 7.373 1.00 0.00 O ATOM 1514 CB VAL A 108 92.617 9.235 10.533 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.743 8.570 11.904 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.007 9.373 9.902 1.00 0.00 C ATOM 0 H VAL A 108 93.084 7.042 8.676 1.00 0.00 H new ATOM 0 HA VAL A 108 90.726 8.241 10.067 1.00 0.00 H new ATOM 0 HB VAL A 108 92.176 10.225 10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.384 9.176 12.545 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.756 8.482 12.358 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.179 7.578 11.788 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.641 9.979 10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.451 8.385 9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.918 9.853 8.927 1.00 0.00 H new ATOM 1526 N GLN A 109 90.443 9.816 8.147 1.00 0.00 N ATOM 1527 CA GLN A 109 90.175 10.532 6.865 1.00 0.00 C ATOM 1528 C GLN A 109 91.069 11.762 6.750 1.00 0.00 C ATOM 1529 O GLN A 109 91.282 12.480 7.710 1.00 0.00 O ATOM 1530 CB GLN A 109 88.709 10.958 6.934 1.00 0.00 C ATOM 1531 CG GLN A 109 88.305 11.601 5.607 1.00 0.00 C ATOM 1532 CD GLN A 109 86.838 12.030 5.669 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.391 12.568 6.663 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.063 11.812 4.641 1.00 0.00 N ATOM 0 H GLN A 109 89.744 9.961 8.875 1.00 0.00 H new ATOM 0 HA GLN A 109 90.377 9.900 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.077 10.094 7.140 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.562 11.663 7.752 1.00 0.00 H new ATOM 0 HG2 GLN A 109 88.938 12.464 5.402 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.454 10.895 4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.438 11.361 3.807 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.083 12.093 4.672 1.00 0.00 H new ATOM 1543 N VAL A 110 91.575 12.016 5.576 1.00 0.00 N ATOM 1544 CA VAL A 110 92.439 13.208 5.373 1.00 0.00 C ATOM 1545 C VAL A 110 92.002 13.945 4.104 1.00 0.00 C ATOM 1546 O VAL A 110 91.216 13.432 3.329 1.00 0.00 O ATOM 1547 CB VAL A 110 93.877 12.680 5.254 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.258 11.947 6.540 1.00 0.00 C ATOM 1549 CG2 VAL A 110 93.994 11.715 4.069 1.00 0.00 C ATOM 0 H VAL A 110 91.425 11.445 4.744 1.00 0.00 H new ATOM 0 HA VAL A 110 92.365 13.919 6.196 1.00 0.00 H new ATOM 0 HB VAL A 110 94.549 13.523 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.278 11.572 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.192 12.634 7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.576 11.111 6.698 1.00 0.00 H new ATOM 0 HG21 VAL A 110 95.018 11.349 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.318 10.873 4.217 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.729 12.235 3.149 1.00 0.00 H new ATOM 1559 N ASP A 111 92.489 15.141 3.889 1.00 0.00 N ATOM 1560 CA ASP A 111 92.083 15.908 2.667 1.00 0.00 C ATOM 1561 C ASP A 111 92.411 15.113 1.399 1.00 0.00 C ATOM 1562 O ASP A 111 93.400 14.408 1.334 1.00 0.00 O ATOM 1563 CB ASP A 111 92.897 17.200 2.713 1.00 0.00 C ATOM 1564 CG ASP A 111 92.392 18.084 3.854 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.186 18.150 4.036 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 93.216 18.683 4.525 1.00 0.00 O ATOM 0 H ASP A 111 93.148 15.620 4.503 1.00 0.00 H new ATOM 0 HA ASP A 111 91.011 16.103 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 111 93.953 16.971 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 111 92.812 17.730 1.764 1.00 0.00 H new ATOM 1571 N LEU A 112 91.581 15.222 0.392 1.00 0.00 N ATOM 1572 CA LEU A 112 91.824 14.477 -0.884 1.00 0.00 C ATOM 1573 C LEU A 112 93.162 14.891 -1.490 1.00 0.00 C ATOM 1574 O LEU A 112 93.866 14.088 -2.073 1.00 0.00 O ATOM 1575 CB LEU A 112 90.681 14.885 -1.814 1.00 0.00 C ATOM 1576 CG LEU A 112 90.745 14.056 -3.102 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.359 13.996 -3.748 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.734 14.696 -4.085 1.00 0.00 C ATOM 0 H LEU A 112 90.740 15.799 0.398 1.00 0.00 H new ATOM 0 HA LEU A 112 91.858 13.399 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 112 89.723 14.731 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.752 15.947 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 112 91.078 13.047 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.409 13.406 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 112 88.655 13.534 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.024 15.006 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.775 14.102 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.406 15.708 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.725 14.733 -3.632 1.00 0.00 H new ATOM 1590 N SER A 113 93.510 16.149 -1.374 1.00 0.00 N ATOM 1591 CA SER A 113 94.798 16.637 -1.960 1.00 0.00 C ATOM 1592 C SER A 113 95.973 15.792 -1.453 1.00 0.00 C ATOM 1593 O SER A 113 96.911 15.533 -2.177 1.00 0.00 O ATOM 1594 CB SER A 113 94.933 18.084 -1.482 1.00 0.00 C ATOM 1595 OG SER A 113 95.024 18.104 -0.064 1.00 0.00 O ATOM 0 H SER A 113 92.956 16.861 -0.898 1.00 0.00 H new ATOM 0 HA SER A 113 94.804 16.565 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.819 18.543 -1.921 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.074 18.669 -1.811 1.00 0.00 H new ATOM 0 HG SER A 113 95.112 19.030 0.245 1.00 0.00 H new ATOM 1601 N ASN A 114 95.924 15.366 -0.217 1.00 0.00 N ATOM 1602 CA ASN A 114 97.036 14.534 0.343 1.00 0.00 C ATOM 1603 C ASN A 114 97.105 13.167 -0.345 1.00 0.00 C ATOM 1604 O ASN A 114 98.177 12.666 -0.619 1.00 0.00 O ATOM 1605 CB ASN A 114 96.727 14.376 1.834 1.00 0.00 C ATOM 1606 CG ASN A 114 96.937 15.713 2.549 1.00 0.00 C ATOM 1607 OD1 ASN A 114 97.621 16.585 2.049 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.382 15.910 3.714 1.00 0.00 N ATOM 0 H ASN A 114 95.161 15.558 0.432 1.00 0.00 H new ATOM 0 HA ASN A 114 98.004 15.008 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 114 95.699 14.038 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.373 13.614 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.523 16.794 4.203 1.00 0.00 H new ATOM 0 HD22 ASN A 114 95.808 15.180 4.135 1.00 0.00 H new ATOM 1615 N CYS A 115 95.977 12.562 -0.631 1.00 0.00 N ATOM 1616 CA CYS A 115 95.995 11.227 -1.313 1.00 0.00 C ATOM 1617 C CYS A 115 96.700 11.346 -2.668 1.00 0.00 C ATOM 1618 O CYS A 115 97.570 10.563 -2.997 1.00 0.00 O ATOM 1619 CB CYS A 115 94.521 10.850 -1.519 1.00 0.00 C ATOM 1620 SG CYS A 115 93.995 9.670 -0.249 1.00 0.00 S ATOM 0 H CYS A 115 95.049 12.931 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 115 96.527 10.477 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 115 93.900 11.744 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 115 94.384 10.415 -2.509 1.00 0.00 H new ATOM 1625 N ILE A 116 96.320 12.320 -3.453 1.00 0.00 N ATOM 1626 CA ILE A 116 96.955 12.501 -4.795 1.00 0.00 C ATOM 1627 C ILE A 116 98.408 12.980 -4.648 1.00 0.00 C ATOM 1628 O ILE A 116 99.279 12.549 -5.379 1.00 0.00 O ATOM 1629 CB ILE A 116 96.088 13.547 -5.512 1.00 0.00 C ATOM 1630 CG1 ILE A 116 94.689 12.971 -5.744 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.704 13.916 -6.865 1.00 0.00 C ATOM 1632 CD1 ILE A 116 93.772 14.061 -6.307 1.00 0.00 C ATOM 0 H ILE A 116 95.596 13.000 -3.223 1.00 0.00 H new ATOM 0 HA ILE A 116 97.002 11.569 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 116 96.031 14.440 -4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 116 94.741 12.131 -6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.283 12.587 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.077 14.658 -7.360 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.701 14.328 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.772 13.025 -7.489 1.00 0.00 H new ATOM 0 HD11 ILE A 116 92.776 13.649 -6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.711 14.887 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.176 14.424 -7.252 1.00 0.00 H new ATOM 1644 N ASN A 117 98.673 13.867 -3.722 1.00 0.00 N ATOM 1645 CA ASN A 117 100.074 14.371 -3.547 1.00 0.00 C ATOM 1646 C ASN A 117 101.015 13.242 -3.114 1.00 0.00 C ATOM 1647 O ASN A 117 102.145 13.163 -3.559 1.00 0.00 O ATOM 1648 CB ASN A 117 99.989 15.441 -2.458 1.00 0.00 C ATOM 1649 CG ASN A 117 99.284 16.682 -3.008 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.265 16.905 -4.203 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.703 17.509 -2.183 1.00 0.00 N ATOM 0 H ASN A 117 97.985 14.264 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 117 100.474 14.768 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.445 15.054 -1.596 1.00 0.00 H new ATOM 0 HB3 ASN A 117 100.989 15.702 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.234 18.341 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.718 17.324 -1.180 1.00 0.00 H new ATOM 1658 N GLY A 118 100.562 12.378 -2.244 1.00 0.00 N ATOM 1659 CA GLY A 118 101.427 11.258 -1.767 1.00 0.00 C ATOM 1660 C GLY A 118 101.626 10.228 -2.881 1.00 0.00 C ATOM 1661 O GLY A 118 102.738 9.836 -3.184 1.00 0.00 O ATOM 0 H GLY A 118 99.625 12.400 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.393 11.647 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 118 100.971 10.781 -0.899 1.00 0.00 H new ATOM 1665 N ALA A 119 100.555 9.783 -3.485 1.00 0.00 N ATOM 1666 CA ALA A 119 100.671 8.766 -4.576 1.00 0.00 C ATOM 1667 C ALA A 119 101.500 9.319 -5.740 1.00 0.00 C ATOM 1668 O ALA A 119 102.299 8.617 -6.331 1.00 0.00 O ATOM 1669 CB ALA A 119 99.232 8.483 -5.025 1.00 0.00 C ATOM 0 H ALA A 119 99.603 10.080 -3.271 1.00 0.00 H new ATOM 0 HA ALA A 119 101.173 7.861 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.239 7.744 -5.826 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.657 8.099 -4.182 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.776 9.405 -5.386 1.00 0.00 H new ATOM 1675 N ASN A 120 101.311 10.569 -6.071 1.00 0.00 N ATOM 1676 CA ASN A 120 102.078 11.178 -7.198 1.00 0.00 C ATOM 1677 C ASN A 120 102.372 12.652 -6.898 1.00 0.00 C ATOM 1678 O ASN A 120 101.503 13.471 -7.144 1.00 0.00 O ATOM 1679 CB ASN A 120 101.161 11.046 -8.424 1.00 0.00 C ATOM 1680 CG ASN A 120 101.824 10.151 -9.475 1.00 0.00 C ATOM 1681 OD1 ASN A 120 101.325 9.087 -9.783 1.00 0.00 O ATOM 1682 ND2 ASN A 120 102.933 10.541 -10.041 1.00 0.00 N ATOM 1683 OXT ASN A 120 103.462 12.934 -6.427 1.00 0.00 O ATOM 0 H ASN A 120 100.655 11.198 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 120 103.039 10.689 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 120 100.201 10.624 -8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 120 100.960 12.030 -8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 120 103.382 9.952 -10.743 1.00 0.00 H new ATOM 0 HD22 ASN A 120 103.351 11.435 -9.782 1.00 0.00 H new TER 1690 ASN A 120