USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 777 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 83 LYS NZ :NH3+ 145:sc= 0.224 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot -128:sc= -1.3! USER MOD Set 2.1: A 86 ASN : amide:sc= -5.55! C(o=-4.2!,f=-14!) USER MOD Set 2.2: A 88 THR OG1 : rot -119:sc= 1.32 USER MOD Set 3.1: A 73 HIS : no HD1:sc= -0.191 X(o=0.22,f=-0.092) USER MOD Set 3.2: A 76 SER OG : rot 92:sc= -0.142 USER MOD Set 3.3: A 101 THR OG1 : rot 180:sc= 0.553 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 68 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 29:sc= 1.08 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -112:sc= 0.0529 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.156 F(o=-1.1,f=-0.16) USER MOD Single : A 20 CYS SG : rot 180:sc= 0.00264 USER MOD Single : A 21 CYS SG : rot 34:sc= 0.252 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 24 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.65) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 26 SER OG : rot 21:sc= 1.08 USER MOD Single : A 30 SER OG : rot 52:sc= 1.15 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 37 SER OG : rot 120:sc= -0.187 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 110:sc= -0.12 USER MOD Single : A 52 ASN : amide:sc= -0.0381 K(o=-0.038,f=-2.2!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 13:sc= 0.167 USER MOD Single : A 63 LYS NZ :NH3+ 141:sc= 0.201 (180deg=0.00842) USER MOD Single : A 65 THR OG1 : rot 118:sc= 0.444 USER MOD Single : A 66 MET CE :methyl 144:sc= -0.13 (180deg=-1.42) USER MOD Single : A 67 CYS SG : rot 131:sc= -1.46 USER MOD Single : A 75 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.025) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.786 USER MOD Single : A 79 ASN : amide:sc= -2.27! C(o=-2.3!,f=-4.4!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -171:sc= 1.15 USER MOD Single : A 94 SER OG : rot 160:sc= -1.33 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 100 GLN :FLIP amide:sc= -1.57! F(o=-2.1,f=-1.6!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -57:sc= 0.0553 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.870 -13.121 -17.337 1.00 0.00 N ATOM 2 CA GLY A 1 17.821 -13.023 -16.339 1.00 0.00 C ATOM 3 C GLY A 1 18.362 -12.714 -14.958 1.00 0.00 C ATOM 4 O GLY A 1 18.251 -11.586 -14.477 1.00 0.00 O ATOM 0 H1 GLY A 1 18.449 -13.333 -18.264 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.385 -12.219 -17.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.529 -13.881 -17.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.116 -12.245 -16.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.266 -13.960 -16.307 1.00 0.00 H new ATOM 8 N SER A 2 18.949 -13.719 -14.315 1.00 0.00 N ATOM 9 CA SER A 2 19.505 -13.551 -12.978 1.00 0.00 C ATOM 10 C SER A 2 20.917 -14.124 -12.900 1.00 0.00 C ATOM 11 O SER A 2 21.109 -15.339 -12.955 1.00 0.00 O ATOM 12 CB SER A 2 18.609 -14.231 -11.941 1.00 0.00 C ATOM 13 OG SER A 2 18.608 -15.638 -12.111 1.00 0.00 O ATOM 0 H SER A 2 19.052 -14.658 -14.699 1.00 0.00 H new ATOM 0 HA SER A 2 19.553 -12.483 -12.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.956 -13.983 -10.938 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.592 -13.850 -12.030 1.00 0.00 H new ATOM 0 HG SER A 2 19.462 -15.921 -12.499 1.00 0.00 H new ATOM 19 N SER A 3 21.901 -13.241 -12.772 1.00 0.00 N ATOM 20 CA SER A 3 23.297 -13.657 -12.691 1.00 0.00 C ATOM 21 C SER A 3 23.801 -13.588 -11.253 1.00 0.00 C ATOM 22 O SER A 3 24.664 -14.365 -10.848 1.00 0.00 O ATOM 23 CB SER A 3 24.167 -12.777 -13.591 1.00 0.00 C ATOM 24 OG SER A 3 24.015 -13.135 -14.954 1.00 0.00 O ATOM 0 H SER A 3 21.758 -12.232 -12.722 1.00 0.00 H new ATOM 0 HA SER A 3 23.363 -14.690 -13.032 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.895 -11.730 -13.454 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.213 -12.876 -13.300 1.00 0.00 H new ATOM 0 HG SER A 3 24.580 -12.557 -15.509 1.00 0.00 H new ATOM 30 N GLY A 4 23.254 -12.650 -10.485 1.00 0.00 N ATOM 31 CA GLY A 4 23.661 -12.496 -9.100 1.00 0.00 C ATOM 32 C GLY A 4 22.536 -11.990 -8.219 1.00 0.00 C ATOM 33 O GLY A 4 21.498 -11.551 -8.715 1.00 0.00 O ATOM 0 H GLY A 4 22.537 -11.995 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.014 -13.455 -8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.501 -11.803 -9.046 1.00 0.00 H new ATOM 37 N SER A 5 22.739 -12.054 -6.907 1.00 0.00 N ATOM 38 CA SER A 5 21.731 -11.604 -5.954 1.00 0.00 C ATOM 39 C SER A 5 22.232 -10.400 -5.162 1.00 0.00 C ATOM 40 O SER A 5 23.091 -10.531 -4.290 1.00 0.00 O ATOM 41 CB SER A 5 21.360 -12.740 -4.998 1.00 0.00 C ATOM 42 OG SER A 5 20.396 -13.601 -5.579 1.00 0.00 O ATOM 0 H SER A 5 23.593 -12.413 -6.480 1.00 0.00 H new ATOM 0 HA SER A 5 20.844 -11.305 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.253 -13.310 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.969 -12.325 -4.069 1.00 0.00 H new ATOM 0 HG SER A 5 20.177 -14.319 -4.949 1.00 0.00 H new ATOM 48 N SER A 6 21.687 -9.228 -5.471 1.00 0.00 N ATOM 49 CA SER A 6 22.080 -7.999 -4.792 1.00 0.00 C ATOM 50 C SER A 6 21.316 -7.836 -3.481 1.00 0.00 C ATOM 51 O SER A 6 21.913 -7.737 -2.410 1.00 0.00 O ATOM 52 CB SER A 6 21.830 -6.790 -5.695 1.00 0.00 C ATOM 53 OG SER A 6 22.246 -5.590 -5.066 1.00 0.00 O ATOM 0 H SER A 6 20.972 -9.104 -6.187 1.00 0.00 H new ATOM 0 HA SER A 6 23.145 -8.061 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.367 -6.917 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.770 -6.728 -5.940 1.00 0.00 H new ATOM 0 HG SER A 6 22.077 -4.832 -5.664 1.00 0.00 H new ATOM 59 N GLY A 7 19.990 -7.808 -3.575 1.00 0.00 N ATOM 60 CA GLY A 7 19.165 -7.655 -2.391 1.00 0.00 C ATOM 61 C GLY A 7 17.734 -8.100 -2.620 1.00 0.00 C ATOM 62 O GLY A 7 17.153 -7.871 -3.681 1.00 0.00 O ATOM 0 H GLY A 7 19.472 -7.889 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.596 -8.234 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.172 -6.610 -2.080 1.00 0.00 H new ATOM 66 N PRO A 8 17.144 -8.753 -1.608 1.00 0.00 N ATOM 67 CA PRO A 8 15.765 -9.246 -1.681 1.00 0.00 C ATOM 68 C PRO A 8 14.744 -8.113 -1.675 1.00 0.00 C ATOM 69 O PRO A 8 15.098 -6.945 -1.512 1.00 0.00 O ATOM 70 CB PRO A 8 15.626 -10.098 -0.417 1.00 0.00 C ATOM 71 CG PRO A 8 16.629 -9.537 0.531 1.00 0.00 C ATOM 72 CD PRO A 8 17.777 -9.061 -0.315 1.00 0.00 C ATOM 0 HA PRO A 8 15.576 -9.794 -2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.618 -10.037 -0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.823 -11.150 -0.625 1.00 0.00 H new ATOM 0 HG2 PRO A 8 16.204 -8.717 1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 8 16.957 -10.293 1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.257 -8.183 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.546 -9.827 -0.416 1.00 0.00 H new ATOM 80 N VAL A 9 13.475 -8.466 -1.852 1.00 0.00 N ATOM 81 CA VAL A 9 12.402 -7.479 -1.865 1.00 0.00 C ATOM 82 C VAL A 9 12.402 -6.650 -0.586 1.00 0.00 C ATOM 83 O VAL A 9 12.856 -7.092 0.470 1.00 0.00 O ATOM 84 CB VAL A 9 11.025 -8.149 -2.029 1.00 0.00 C ATOM 85 CG1 VAL A 9 10.822 -8.608 -3.466 1.00 0.00 C ATOM 86 CG2 VAL A 9 10.882 -9.315 -1.063 1.00 0.00 C ATOM 0 H VAL A 9 13.165 -9.428 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 9 12.584 -6.825 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 9 10.253 -7.416 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.844 -9.079 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.879 -7.748 -4.134 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.598 -9.326 -3.732 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.903 -9.777 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.660 -10.051 -1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.980 -8.954 -0.039 1.00 0.00 H new ATOM 96 N PRO A 10 11.880 -5.418 -0.679 1.00 0.00 N ATOM 97 CA PRO A 10 11.807 -4.500 0.462 1.00 0.00 C ATOM 98 C PRO A 10 10.796 -4.956 1.508 1.00 0.00 C ATOM 99 O PRO A 10 9.606 -5.085 1.220 1.00 0.00 O ATOM 100 CB PRO A 10 11.363 -3.180 -0.172 1.00 0.00 C ATOM 101 CG PRO A 10 10.639 -3.580 -1.411 1.00 0.00 C ATOM 102 CD PRO A 10 11.321 -4.825 -1.906 1.00 0.00 C ATOM 0 HA PRO A 10 12.756 -4.434 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.716 -2.616 0.500 1.00 0.00 H new ATOM 0 HB3 PRO A 10 12.218 -2.543 -0.401 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.586 -3.768 -1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.680 -2.789 -2.160 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.619 -5.500 -2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.100 -4.595 -2.632 1.00 0.00 H new ATOM 110 N ALA A 11 11.276 -5.197 2.724 1.00 0.00 N ATOM 111 CA ALA A 11 10.413 -5.636 3.813 1.00 0.00 C ATOM 112 C ALA A 11 9.038 -4.983 3.720 1.00 0.00 C ATOM 113 O ALA A 11 8.924 -3.766 3.572 1.00 0.00 O ATOM 114 CB ALA A 11 11.058 -5.324 5.155 1.00 0.00 C ATOM 0 H ALA A 11 12.258 -5.095 2.979 1.00 0.00 H new ATOM 0 HA ALA A 11 10.281 -6.715 3.728 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.403 -5.657 5.960 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.015 -5.842 5.228 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.220 -4.249 5.240 1.00 0.00 H new ATOM 120 N THR A 12 7.993 -5.801 3.808 1.00 0.00 N ATOM 121 CA THR A 12 6.625 -5.304 3.732 1.00 0.00 C ATOM 122 C THR A 12 6.399 -4.164 4.719 1.00 0.00 C ATOM 123 O THR A 12 6.809 -4.224 5.878 1.00 0.00 O ATOM 124 CB THR A 12 5.604 -6.422 4.014 1.00 0.00 C ATOM 125 OG1 THR A 12 5.663 -7.411 2.980 1.00 0.00 O ATOM 126 CG2 THR A 12 4.194 -5.858 4.105 1.00 0.00 C ATOM 0 H THR A 12 8.069 -6.811 3.932 1.00 0.00 H new ATOM 0 HA THR A 12 6.478 -4.937 2.716 1.00 0.00 H new ATOM 0 HB THR A 12 5.856 -6.881 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.832 -7.392 2.461 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.491 -6.667 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.146 -5.127 4.913 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.934 -5.375 3.163 1.00 0.00 H new ATOM 134 N PRO A 13 5.730 -3.100 4.252 1.00 0.00 N ATOM 135 CA PRO A 13 5.433 -1.926 5.078 1.00 0.00 C ATOM 136 C PRO A 13 4.398 -2.225 6.158 1.00 0.00 C ATOM 137 O PRO A 13 3.502 -3.046 5.962 1.00 0.00 O ATOM 138 CB PRO A 13 4.878 -0.915 4.072 1.00 0.00 C ATOM 139 CG PRO A 13 4.329 -1.745 2.963 1.00 0.00 C ATOM 140 CD PRO A 13 5.212 -2.960 2.880 1.00 0.00 C ATOM 0 HA PRO A 13 6.313 -1.573 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.104 -0.293 4.522 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.658 -0.243 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.295 -2.027 3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.334 -1.193 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.653 -3.843 2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.017 -2.823 2.158 1.00 0.00 H new ATOM 148 N ILE A 14 4.528 -1.553 7.297 1.00 0.00 N ATOM 149 CA ILE A 14 3.604 -1.745 8.407 1.00 0.00 C ATOM 150 C ILE A 14 2.399 -0.818 8.286 1.00 0.00 C ATOM 151 O ILE A 14 2.548 0.397 8.153 1.00 0.00 O ATOM 152 CB ILE A 14 4.292 -1.500 9.763 1.00 0.00 C ATOM 153 CG1 ILE A 14 5.675 -2.155 9.783 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.431 -2.033 10.898 1.00 0.00 C ATOM 155 CD1 ILE A 14 6.782 -1.245 9.299 1.00 0.00 C ATOM 0 H ILE A 14 5.265 -0.870 7.475 1.00 0.00 H new ATOM 0 HA ILE A 14 3.269 -2.781 8.362 1.00 0.00 H new ATOM 0 HB ILE A 14 4.417 -0.426 9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.900 -2.479 10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.653 -3.050 9.161 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.931 -1.852 11.850 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.467 -1.525 10.893 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.278 -3.104 10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.733 -1.775 9.341 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.580 -0.941 8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.831 -0.361 9.935 1.00 0.00 H new ATOM 167 N LEU A 15 1.205 -1.399 8.335 1.00 0.00 N ATOM 168 CA LEU A 15 -0.027 -0.625 8.234 1.00 0.00 C ATOM 169 C LEU A 15 -0.498 -0.168 9.610 1.00 0.00 C ATOM 170 O LEU A 15 -1.271 -0.859 10.273 1.00 0.00 O ATOM 171 CB LEU A 15 -1.120 -1.455 7.558 1.00 0.00 C ATOM 172 CG LEU A 15 -1.165 -1.389 6.031 1.00 0.00 C ATOM 173 CD1 LEU A 15 -2.113 -2.443 5.479 1.00 0.00 C ATOM 174 CD2 LEU A 15 -1.583 0.000 5.570 1.00 0.00 C ATOM 0 H LEU A 15 1.064 -2.403 8.444 1.00 0.00 H new ATOM 0 HA LEU A 15 0.177 0.258 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.992 -2.496 7.853 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.086 -1.130 7.944 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.165 -1.592 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.132 -2.381 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.771 -3.433 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.116 -2.271 5.870 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.610 0.029 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.573 0.231 5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.866 0.736 5.935 1.00 0.00 H new ATOM 186 N GLN A 16 -0.029 1.002 10.032 1.00 0.00 N ATOM 187 CA GLN A 16 -0.404 1.552 11.330 1.00 0.00 C ATOM 188 C GLN A 16 -1.276 2.792 11.164 1.00 0.00 C ATOM 189 O GLN A 16 -0.813 3.919 11.344 1.00 0.00 O ATOM 190 CB GLN A 16 0.846 1.899 12.141 1.00 0.00 C ATOM 191 CG GLN A 16 2.023 2.341 11.286 1.00 0.00 C ATOM 192 CD GLN A 16 2.929 3.323 12.003 1.00 0.00 C ATOM 193 OE1 GLN A 16 4.128 2.874 12.354 1.00 0.00 O flip ATOM 194 NE2 GLN A 16 2.555 4.472 12.240 1.00 0.00 N flip ATOM 0 H GLN A 16 0.611 1.587 9.495 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.978 0.795 11.865 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.602 2.693 12.847 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.141 1.029 12.729 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.602 1.466 10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.650 2.799 10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.625 4.775 11.952 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.176 5.121 12.724 1.00 0.00 H new ATOM 203 N LEU A 17 -2.541 2.577 10.819 1.00 0.00 N ATOM 204 CA LEU A 17 -3.480 3.677 10.628 1.00 0.00 C ATOM 205 C LEU A 17 -3.286 4.749 11.696 1.00 0.00 C ATOM 206 O LEU A 17 -3.188 4.445 12.884 1.00 0.00 O ATOM 207 CB LEU A 17 -4.918 3.158 10.665 1.00 0.00 C ATOM 208 CG LEU A 17 -5.956 4.004 9.926 1.00 0.00 C ATOM 209 CD1 LEU A 17 -6.107 5.364 10.590 1.00 0.00 C ATOM 210 CD2 LEU A 17 -5.570 4.163 8.463 1.00 0.00 C ATOM 0 H LEU A 17 -2.940 1.651 10.666 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.287 4.123 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.931 2.153 10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.225 3.071 11.707 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.916 3.490 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.850 5.952 10.050 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.430 5.231 11.623 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.150 5.885 10.574 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.320 4.768 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.599 4.654 8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.514 3.181 7.993 1.00 0.00 H new ATOM 222 N GLU A 18 -3.234 6.005 11.263 1.00 0.00 N ATOM 223 CA GLU A 18 -3.053 7.122 12.182 1.00 0.00 C ATOM 224 C GLU A 18 -4.253 8.064 12.137 1.00 0.00 C ATOM 225 O GLU A 18 -4.676 8.597 13.162 1.00 0.00 O ATOM 226 CB GLU A 18 -1.775 7.891 11.841 1.00 0.00 C ATOM 227 CG GLU A 18 -1.214 8.687 13.008 1.00 0.00 C ATOM 228 CD GLU A 18 -2.061 9.897 13.350 1.00 0.00 C ATOM 229 OE1 GLU A 18 -2.033 10.879 12.580 1.00 0.00 O ATOM 230 OE2 GLU A 18 -2.753 9.861 14.390 1.00 0.00 O ATOM 0 H GLU A 18 -3.315 6.274 10.282 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.967 6.718 13.191 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.018 7.187 11.495 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.980 8.570 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.141 8.040 13.882 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.202 9.013 12.768 1.00 0.00 H new ATOM 237 N GLU A 19 -4.797 8.263 10.940 1.00 0.00 N ATOM 238 CA GLU A 19 -5.947 9.141 10.761 1.00 0.00 C ATOM 239 C GLU A 19 -7.252 8.378 10.970 1.00 0.00 C ATOM 240 O GLU A 19 -7.946 8.040 10.010 1.00 0.00 O ATOM 241 CB GLU A 19 -5.927 9.766 9.364 1.00 0.00 C ATOM 242 CG GLU A 19 -7.096 10.699 9.098 1.00 0.00 C ATOM 243 CD GLU A 19 -7.391 11.613 10.271 1.00 0.00 C ATOM 244 OE1 GLU A 19 -6.709 12.652 10.400 1.00 0.00 O ATOM 245 OE2 GLU A 19 -8.304 11.291 11.060 1.00 0.00 O ATOM 0 H GLU A 19 -4.460 7.828 10.081 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.886 9.934 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.996 10.318 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.931 8.970 8.619 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.881 11.303 8.217 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.983 10.108 8.870 1.00 0.00 H new ATOM 252 N CYS A 20 -7.578 8.110 12.229 1.00 0.00 N ATOM 253 CA CYS A 20 -8.799 7.386 12.565 1.00 0.00 C ATOM 254 C CYS A 20 -9.987 7.926 11.775 1.00 0.00 C ATOM 255 O CYS A 20 -10.659 7.182 11.060 1.00 0.00 O ATOM 256 CB CYS A 20 -9.080 7.486 14.065 1.00 0.00 C ATOM 257 SG CYS A 20 -7.817 6.717 15.106 1.00 0.00 S ATOM 0 H CYS A 20 -7.014 8.383 13.034 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.655 6.339 12.299 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.169 8.538 14.338 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.042 7.019 14.275 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.142 6.855 16.357 1.00 0.00 H new ATOM 263 N CYS A 21 -10.240 9.223 11.911 1.00 0.00 N ATOM 264 CA CYS A 21 -11.348 9.863 11.212 1.00 0.00 C ATOM 265 C CYS A 21 -11.283 11.379 11.363 1.00 0.00 C ATOM 266 O CYS A 21 -11.457 11.914 12.458 1.00 0.00 O ATOM 267 CB CYS A 21 -12.684 9.342 11.746 1.00 0.00 C ATOM 268 SG CYS A 21 -12.941 9.643 13.511 1.00 0.00 S ATOM 0 H CYS A 21 -9.693 9.852 12.499 1.00 0.00 H new ATOM 0 HA CYS A 21 -11.267 9.618 10.153 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.494 9.810 11.187 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.745 8.270 11.558 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.382 10.768 13.845 1.00 0.00 H new ATOM 274 N THR A 22 -11.030 12.068 10.254 1.00 0.00 N ATOM 275 CA THR A 22 -10.938 13.523 10.263 1.00 0.00 C ATOM 276 C THR A 22 -11.868 14.138 9.223 1.00 0.00 C ATOM 277 O THR A 22 -12.631 15.057 9.525 1.00 0.00 O ATOM 278 CB THR A 22 -9.498 13.997 9.991 1.00 0.00 C ATOM 279 OG1 THR A 22 -9.454 15.427 9.942 1.00 0.00 O ATOM 280 CG2 THR A 22 -8.978 13.424 8.681 1.00 0.00 C ATOM 0 H THR A 22 -10.885 11.642 9.339 1.00 0.00 H new ATOM 0 HA THR A 22 -11.239 13.853 11.257 1.00 0.00 H new ATOM 0 HB THR A 22 -8.863 13.642 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.535 15.720 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.959 13.773 8.510 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.985 12.335 8.732 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.616 13.753 7.861 1.00 0.00 H new ATOM 288 N HIS A 23 -11.801 13.626 7.999 1.00 0.00 N ATOM 289 CA HIS A 23 -12.639 14.125 6.914 1.00 0.00 C ATOM 290 C HIS A 23 -13.934 13.325 6.816 1.00 0.00 C ATOM 291 O HIS A 23 -14.169 12.407 7.601 1.00 0.00 O ATOM 292 CB HIS A 23 -11.884 14.060 5.586 1.00 0.00 C ATOM 293 CG HIS A 23 -12.306 15.111 4.605 1.00 0.00 C ATOM 294 ND1 HIS A 23 -13.183 14.865 3.570 1.00 0.00 N ATOM 295 CD2 HIS A 23 -11.967 16.417 4.507 1.00 0.00 C ATOM 296 CE1 HIS A 23 -13.364 15.974 2.877 1.00 0.00 C ATOM 297 NE2 HIS A 23 -12.638 16.932 3.425 1.00 0.00 N ATOM 0 H HIS A 23 -11.175 12.866 7.733 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.889 15.164 7.130 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.816 14.163 5.779 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.034 13.077 5.140 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.294 16.955 5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.998 16.080 2.009 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -12.585 17.897 3.098 1.00 0.00 H new ATOM 306 N ASN A 24 -14.772 13.680 5.847 1.00 0.00 N ATOM 307 CA ASN A 24 -16.044 12.996 5.647 1.00 0.00 C ATOM 308 C ASN A 24 -15.823 11.522 5.320 1.00 0.00 C ATOM 309 O ASN A 24 -16.104 10.646 6.137 1.00 0.00 O ATOM 310 CB ASN A 24 -16.837 13.666 4.523 1.00 0.00 C ATOM 311 CG ASN A 24 -17.054 15.146 4.771 1.00 0.00 C ATOM 312 OD1 ASN A 24 -17.034 15.604 5.914 1.00 0.00 O ATOM 313 ND2 ASN A 24 -17.263 15.901 3.699 1.00 0.00 N ATOM 0 H ASN A 24 -14.593 14.438 5.188 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.614 13.063 6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.308 13.532 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.803 13.172 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.416 16.904 3.804 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -17.271 15.478 2.771 1.00 0.00 H new ATOM 320 N ASN A 25 -15.318 11.257 4.120 1.00 0.00 N ATOM 321 CA ASN A 25 -15.059 9.889 3.685 1.00 0.00 C ATOM 322 C ASN A 25 -13.627 9.741 3.180 1.00 0.00 C ATOM 323 O ASN A 25 -13.385 9.128 2.140 1.00 0.00 O ATOM 324 CB ASN A 25 -16.043 9.487 2.585 1.00 0.00 C ATOM 325 CG ASN A 25 -17.488 9.602 3.032 1.00 0.00 C ATOM 326 OD1 ASN A 25 -17.858 9.125 4.105 1.00 0.00 O ATOM 327 ND2 ASN A 25 -18.313 10.237 2.207 1.00 0.00 N ATOM 0 H ASN A 25 -15.080 11.971 3.431 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.193 9.230 4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -15.885 10.119 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -15.841 8.461 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.297 10.345 2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -17.963 10.617 1.328 1.00 0.00 H new ATOM 334 N SER A 26 -12.681 10.305 3.925 1.00 0.00 N ATOM 335 CA SER A 26 -11.273 10.238 3.552 1.00 0.00 C ATOM 336 C SER A 26 -10.481 9.419 4.566 1.00 0.00 C ATOM 337 O SER A 26 -10.765 9.451 5.763 1.00 0.00 O ATOM 338 CB SER A 26 -10.685 11.646 3.445 1.00 0.00 C ATOM 339 OG SER A 26 -9.618 11.684 2.513 1.00 0.00 O ATOM 0 H SER A 26 -12.864 10.813 4.790 1.00 0.00 H new ATOM 0 HA SER A 26 -11.202 9.748 2.581 1.00 0.00 H new ATOM 0 HB2 SER A 26 -11.463 12.346 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.329 11.970 4.423 1.00 0.00 H new ATOM 0 HG SER A 26 -9.685 10.917 1.907 1.00 0.00 H new ATOM 345 N ALA A 27 -9.485 8.687 4.078 1.00 0.00 N ATOM 346 CA ALA A 27 -8.650 7.861 4.940 1.00 0.00 C ATOM 347 C ALA A 27 -7.170 8.069 4.634 1.00 0.00 C ATOM 348 O ALA A 27 -6.703 7.759 3.537 1.00 0.00 O ATOM 349 CB ALA A 27 -9.021 6.393 4.787 1.00 0.00 C ATOM 0 H ALA A 27 -9.237 8.650 3.089 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.827 8.163 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.389 5.788 5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.066 6.251 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.874 6.087 3.751 1.00 0.00 H new ATOM 355 N THR A 28 -6.437 8.596 5.609 1.00 0.00 N ATOM 356 CA THR A 28 -5.011 8.847 5.443 1.00 0.00 C ATOM 357 C THR A 28 -4.187 7.629 5.847 1.00 0.00 C ATOM 358 O THR A 28 -4.464 6.989 6.862 1.00 0.00 O ATOM 359 CB THR A 28 -4.553 10.060 6.274 1.00 0.00 C ATOM 360 OG1 THR A 28 -5.360 11.201 5.961 1.00 0.00 O ATOM 361 CG2 THR A 28 -3.090 10.379 6.007 1.00 0.00 C ATOM 0 H THR A 28 -6.808 8.858 6.523 1.00 0.00 H new ATOM 0 HA THR A 28 -4.849 9.058 4.386 1.00 0.00 H new ATOM 0 HB THR A 28 -4.667 9.813 7.329 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.064 11.968 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.790 11.239 6.605 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.476 9.519 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.954 10.607 4.950 1.00 0.00 H new ATOM 369 N LEU A 29 -3.174 7.314 5.048 1.00 0.00 N ATOM 370 CA LEU A 29 -2.309 6.172 5.323 1.00 0.00 C ATOM 371 C LEU A 29 -0.884 6.628 5.622 1.00 0.00 C ATOM 372 O LEU A 29 -0.302 7.411 4.871 1.00 0.00 O ATOM 373 CB LEU A 29 -2.309 5.209 4.134 1.00 0.00 C ATOM 374 CG LEU A 29 -3.469 4.215 4.077 1.00 0.00 C ATOM 375 CD1 LEU A 29 -3.122 2.946 4.840 1.00 0.00 C ATOM 376 CD2 LEU A 29 -4.739 4.843 4.632 1.00 0.00 C ATOM 0 H LEU A 29 -2.931 7.833 4.204 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.698 5.656 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.315 5.797 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.375 4.647 4.147 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.645 3.951 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.959 2.250 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.239 2.485 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.918 3.192 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.554 4.120 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.576 5.137 5.669 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.998 5.722 4.042 1.00 0.00 H new ATOM 388 N SER A 30 -0.329 6.132 6.723 1.00 0.00 N ATOM 389 CA SER A 30 1.027 6.490 7.123 1.00 0.00 C ATOM 390 C SER A 30 1.821 5.249 7.522 1.00 0.00 C ATOM 391 O SER A 30 2.021 4.983 8.707 1.00 0.00 O ATOM 392 CB SER A 30 0.994 7.484 8.285 1.00 0.00 C ATOM 393 OG SER A 30 0.480 6.879 9.459 1.00 0.00 O ATOM 0 H SER A 30 -0.797 5.481 7.354 1.00 0.00 H new ATOM 0 HA SER A 30 1.519 6.957 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.000 7.859 8.476 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.379 8.343 8.016 1.00 0.00 H new ATOM 0 HG SER A 30 0.965 6.046 9.637 1.00 0.00 H new ATOM 399 N TRP A 31 2.269 4.496 6.525 1.00 0.00 N ATOM 400 CA TRP A 31 3.041 3.283 6.771 1.00 0.00 C ATOM 401 C TRP A 31 4.537 3.576 6.752 1.00 0.00 C ATOM 402 O TRP A 31 4.983 4.540 6.129 1.00 0.00 O ATOM 403 CB TRP A 31 2.704 2.218 5.726 1.00 0.00 C ATOM 404 CG TRP A 31 3.148 2.583 4.342 1.00 0.00 C ATOM 405 CD1 TRP A 31 4.307 2.204 3.727 1.00 0.00 C ATOM 406 CD2 TRP A 31 2.441 3.400 3.403 1.00 0.00 C ATOM 407 NE1 TRP A 31 4.363 2.736 2.461 1.00 0.00 N ATOM 408 CE2 TRP A 31 3.230 3.473 2.238 1.00 0.00 C ATOM 409 CE3 TRP A 31 1.218 4.075 3.431 1.00 0.00 C ATOM 410 CZ2 TRP A 31 2.835 4.196 1.116 1.00 0.00 C ATOM 411 CZ3 TRP A 31 0.827 4.792 2.316 1.00 0.00 C ATOM 412 CH2 TRP A 31 1.632 4.847 1.171 1.00 0.00 C ATOM 0 H TRP A 31 2.111 4.703 5.539 1.00 0.00 H new ATOM 0 HA TRP A 31 2.776 2.908 7.760 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.172 1.276 6.013 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.627 2.051 5.722 1.00 0.00 H new ATOM 0 HD1 TRP A 31 5.068 1.578 4.170 1.00 0.00 H new ATOM 0 HE1 TRP A 31 5.125 2.604 1.796 1.00 0.00 H new ATOM 0 HE3 TRP A 31 0.589 4.037 4.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.456 4.242 0.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.116 5.319 2.328 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.297 5.414 0.315 1.00 0.00 H new ATOM 423 N LYS A 32 5.309 2.739 7.437 1.00 0.00 N ATOM 424 CA LYS A 32 6.756 2.908 7.498 1.00 0.00 C ATOM 425 C LYS A 32 7.466 1.565 7.353 1.00 0.00 C ATOM 426 O LYS A 32 6.827 0.535 7.144 1.00 0.00 O ATOM 427 CB LYS A 32 7.158 3.570 8.817 1.00 0.00 C ATOM 428 CG LYS A 32 6.971 2.674 10.030 1.00 0.00 C ATOM 429 CD LYS A 32 7.870 3.096 11.179 1.00 0.00 C ATOM 430 CE LYS A 32 7.490 2.392 12.472 1.00 0.00 C ATOM 431 NZ LYS A 32 8.503 2.610 13.542 1.00 0.00 N ATOM 0 H LYS A 32 4.956 1.936 7.958 1.00 0.00 H new ATOM 0 HA LYS A 32 7.057 3.550 6.671 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.203 3.873 8.758 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.570 4.478 8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.930 2.707 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.188 1.641 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.907 2.871 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.803 4.175 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.520 2.755 12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.383 1.323 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.207 2.114 14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.424 2.241 13.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.587 3.628 13.738 1.00 0.00 H new ATOM 445 N GLN A 33 8.790 1.587 7.468 1.00 0.00 N ATOM 446 CA GLN A 33 9.586 0.370 7.350 1.00 0.00 C ATOM 447 C GLN A 33 9.930 -0.190 8.726 1.00 0.00 C ATOM 448 O GLN A 33 10.230 0.546 9.666 1.00 0.00 O ATOM 449 CB GLN A 33 10.869 0.649 6.565 1.00 0.00 C ATOM 450 CG GLN A 33 10.658 0.717 5.061 1.00 0.00 C ATOM 451 CD GLN A 33 11.893 0.313 4.280 1.00 0.00 C ATOM 452 OE1 GLN A 33 12.726 1.152 3.936 1.00 0.00 O ATOM 453 NE2 GLN A 33 12.019 -0.978 3.996 1.00 0.00 N ATOM 0 H GLN A 33 9.334 2.432 7.642 1.00 0.00 H new ATOM 0 HA GLN A 33 8.994 -0.371 6.813 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.297 1.592 6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.598 -0.131 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.829 0.066 4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.373 1.732 4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.305 -1.639 4.301 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.830 -1.308 3.473 1.00 0.00 H new ATOM 462 N PRO A 34 9.885 -1.525 8.850 1.00 0.00 N ATOM 463 CA PRO A 34 10.189 -2.214 10.108 1.00 0.00 C ATOM 464 C PRO A 34 11.668 -2.131 10.471 1.00 0.00 C ATOM 465 O PRO A 34 12.550 -2.340 9.638 1.00 0.00 O ATOM 466 CB PRO A 34 9.789 -3.664 9.824 1.00 0.00 C ATOM 467 CG PRO A 34 9.902 -3.805 8.345 1.00 0.00 C ATOM 468 CD PRO A 34 9.536 -2.465 7.771 1.00 0.00 C ATOM 0 HA PRO A 34 9.663 -1.770 10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.446 -4.364 10.340 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.774 -3.869 10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 34 10.914 -4.090 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.234 -4.583 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.093 -2.253 6.858 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.477 -2.412 7.518 1.00 0.00 H new ATOM 476 N PRO A 35 11.948 -1.820 11.745 1.00 0.00 N ATOM 477 CA PRO A 35 13.320 -1.703 12.248 1.00 0.00 C ATOM 478 C PRO A 35 14.028 -3.052 12.320 1.00 0.00 C ATOM 479 O PRO A 35 15.231 -3.121 12.577 1.00 0.00 O ATOM 480 CB PRO A 35 13.135 -1.121 13.652 1.00 0.00 C ATOM 481 CG PRO A 35 11.763 -1.537 14.057 1.00 0.00 C ATOM 482 CD PRO A 35 10.948 -1.557 12.793 1.00 0.00 C ATOM 0 HA PRO A 35 13.942 -1.090 11.596 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.885 -1.506 14.342 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.234 -0.036 13.647 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.776 -2.520 14.529 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.342 -0.841 14.782 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.182 -2.332 12.821 1.00 0.00 H new ATOM 0 HD3 PRO A 35 10.436 -0.609 12.630 1.00 0.00 H new ATOM 490 N LEU A 36 13.276 -4.122 12.090 1.00 0.00 N ATOM 491 CA LEU A 36 13.831 -5.471 12.128 1.00 0.00 C ATOM 492 C LEU A 36 14.439 -5.847 10.780 1.00 0.00 C ATOM 493 O LEU A 36 15.267 -6.754 10.693 1.00 0.00 O ATOM 494 CB LEU A 36 12.747 -6.480 12.510 1.00 0.00 C ATOM 495 CG LEU A 36 11.870 -6.102 13.704 1.00 0.00 C ATOM 496 CD1 LEU A 36 10.663 -5.297 13.246 1.00 0.00 C ATOM 497 CD2 LEU A 36 11.427 -7.348 14.457 1.00 0.00 C ATOM 0 H LEU A 36 12.280 -4.082 11.875 1.00 0.00 H new ATOM 0 HA LEU A 36 14.619 -5.492 12.881 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.102 -6.635 11.645 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.227 -7.435 12.725 1.00 0.00 H new ATOM 0 HG LEU A 36 12.459 -5.483 14.381 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.050 -5.037 14.109 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.000 -4.386 12.752 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.073 -5.891 12.548 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.804 -7.059 15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.856 -7.993 13.789 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.304 -7.886 14.819 1.00 0.00 H new ATOM 509 N SER A 37 14.024 -5.142 9.732 1.00 0.00 N ATOM 510 CA SER A 37 14.527 -5.403 8.388 1.00 0.00 C ATOM 511 C SER A 37 15.597 -4.387 8.001 1.00 0.00 C ATOM 512 O SER A 37 15.529 -3.219 8.387 1.00 0.00 O ATOM 513 CB SER A 37 13.380 -5.365 7.376 1.00 0.00 C ATOM 514 OG SER A 37 12.538 -6.496 7.516 1.00 0.00 O ATOM 0 H SER A 37 13.341 -4.386 9.788 1.00 0.00 H new ATOM 0 HA SER A 37 14.976 -6.396 8.381 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.797 -4.455 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.785 -5.332 6.364 1.00 0.00 H new ATOM 0 HG SER A 37 11.628 -6.202 7.731 1.00 0.00 H new ATOM 520 N THR A 38 16.585 -4.839 7.236 1.00 0.00 N ATOM 521 CA THR A 38 17.670 -3.972 6.797 1.00 0.00 C ATOM 522 C THR A 38 17.760 -3.930 5.276 1.00 0.00 C ATOM 523 O THR A 38 18.849 -4.007 4.706 1.00 0.00 O ATOM 524 CB THR A 38 19.025 -4.433 7.368 1.00 0.00 C ATOM 525 OG1 THR A 38 18.915 -4.642 8.780 1.00 0.00 O ATOM 526 CG2 THR A 38 20.110 -3.405 7.084 1.00 0.00 C ATOM 0 H THR A 38 16.656 -5.802 6.907 1.00 0.00 H new ATOM 0 HA THR A 38 17.447 -2.973 7.173 1.00 0.00 H new ATOM 0 HB THR A 38 19.300 -5.370 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 38 19.780 -4.936 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 38 21.057 -3.752 7.497 1.00 0.00 H new ATOM 0 HG22 THR A 38 20.211 -3.270 6.007 1.00 0.00 H new ATOM 0 HG23 THR A 38 19.840 -2.455 7.545 1.00 0.00 H new ATOM 534 N VAL A 39 16.609 -3.807 4.623 1.00 0.00 N ATOM 535 CA VAL A 39 16.558 -3.754 3.166 1.00 0.00 C ATOM 536 C VAL A 39 15.961 -2.436 2.686 1.00 0.00 C ATOM 537 O VAL A 39 14.836 -2.074 3.030 1.00 0.00 O ATOM 538 CB VAL A 39 15.733 -4.920 2.590 1.00 0.00 C ATOM 539 CG1 VAL A 39 15.723 -4.867 1.070 1.00 0.00 C ATOM 540 CG2 VAL A 39 16.278 -6.252 3.083 1.00 0.00 C ATOM 0 H VAL A 39 15.699 -3.742 5.079 1.00 0.00 H new ATOM 0 HA VAL A 39 17.585 -3.836 2.809 1.00 0.00 H new ATOM 0 HB VAL A 39 14.705 -4.823 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.135 -5.698 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.282 -3.926 0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.745 -4.939 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.683 -7.065 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 39 17.315 -6.361 2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 39 16.227 -6.286 4.171 1.00 0.00 H new ATOM 550 N PRO A 40 16.730 -1.701 1.869 1.00 0.00 N ATOM 551 CA PRO A 40 16.297 -0.412 1.322 1.00 0.00 C ATOM 552 C PRO A 40 15.181 -0.564 0.294 1.00 0.00 C ATOM 553 O PRO A 40 15.183 -1.500 -0.505 1.00 0.00 O ATOM 554 CB PRO A 40 17.563 0.136 0.659 1.00 0.00 C ATOM 555 CG PRO A 40 18.372 -1.072 0.332 1.00 0.00 C ATOM 556 CD PRO A 40 18.081 -2.071 1.417 1.00 0.00 C ATOM 0 HA PRO A 40 15.887 0.240 2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.325 0.708 -0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.103 0.805 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.102 -1.469 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.435 -0.832 0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.113 -3.093 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.807 -2.007 2.227 1.00 0.00 H new ATOM 564 N ALA A 41 14.229 0.363 0.320 1.00 0.00 N ATOM 565 CA ALA A 41 13.108 0.333 -0.612 1.00 0.00 C ATOM 566 C ALA A 41 13.208 1.466 -1.628 1.00 0.00 C ATOM 567 O ALA A 41 13.872 2.473 -1.385 1.00 0.00 O ATOM 568 CB ALA A 41 11.790 0.414 0.145 1.00 0.00 C ATOM 0 H ALA A 41 14.212 1.144 0.976 1.00 0.00 H new ATOM 0 HA ALA A 41 13.144 -0.611 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.962 0.391 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.709 -0.433 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.754 1.343 0.715 1.00 0.00 H new ATOM 574 N ASP A 42 12.545 1.294 -2.766 1.00 0.00 N ATOM 575 CA ASP A 42 12.558 2.302 -3.819 1.00 0.00 C ATOM 576 C ASP A 42 11.199 2.985 -3.936 1.00 0.00 C ATOM 577 O ASP A 42 11.115 4.176 -4.233 1.00 0.00 O ATOM 578 CB ASP A 42 12.941 1.668 -5.157 1.00 0.00 C ATOM 579 CG ASP A 42 14.442 1.597 -5.356 1.00 0.00 C ATOM 580 OD1 ASP A 42 15.152 2.486 -4.839 1.00 0.00 O ATOM 581 OD2 ASP A 42 14.908 0.653 -6.028 1.00 0.00 O ATOM 0 H ASP A 42 11.991 0.465 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 42 13.301 3.055 -3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.522 0.663 -5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.497 2.244 -5.969 1.00 0.00 H new ATOM 586 N GLY A 43 10.137 2.221 -3.700 1.00 0.00 N ATOM 587 CA GLY A 43 8.796 2.769 -3.785 1.00 0.00 C ATOM 588 C GLY A 43 7.795 1.983 -2.961 1.00 0.00 C ATOM 589 O GLY A 43 8.142 0.975 -2.346 1.00 0.00 O ATOM 0 H GLY A 43 10.181 1.233 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.808 3.805 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.476 2.779 -4.827 1.00 0.00 H new ATOM 593 N TYR A 44 6.550 2.446 -2.946 1.00 0.00 N ATOM 594 CA TYR A 44 5.497 1.782 -2.188 1.00 0.00 C ATOM 595 C TYR A 44 4.165 1.849 -2.930 1.00 0.00 C ATOM 596 O TYR A 44 3.674 2.932 -3.248 1.00 0.00 O ATOM 597 CB TYR A 44 5.355 2.420 -0.805 1.00 0.00 C ATOM 598 CG TYR A 44 6.654 2.491 -0.034 1.00 0.00 C ATOM 599 CD1 TYR A 44 7.611 3.452 -0.333 1.00 0.00 C ATOM 600 CD2 TYR A 44 6.923 1.595 0.994 1.00 0.00 C ATOM 601 CE1 TYR A 44 8.799 3.519 0.368 1.00 0.00 C ATOM 602 CE2 TYR A 44 8.108 1.656 1.701 1.00 0.00 C ATOM 603 CZ TYR A 44 9.043 2.619 1.384 1.00 0.00 C ATOM 604 OH TYR A 44 10.225 2.684 2.086 1.00 0.00 O ATOM 0 H TYR A 44 6.246 3.279 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 44 5.775 0.734 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.954 3.427 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.629 1.851 -0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.423 4.159 -1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.194 0.839 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.533 4.272 0.122 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.301 0.953 2.498 1.00 0.00 H new ATOM 0 HH TYR A 44 10.047 2.997 2.998 1.00 0.00 H new ATOM 614 N ILE A 45 3.588 0.684 -3.202 1.00 0.00 N ATOM 615 CA ILE A 45 2.313 0.609 -3.905 1.00 0.00 C ATOM 616 C ILE A 45 1.159 0.400 -2.931 1.00 0.00 C ATOM 617 O ILE A 45 1.245 -0.422 -2.017 1.00 0.00 O ATOM 618 CB ILE A 45 2.308 -0.530 -4.942 1.00 0.00 C ATOM 619 CG1 ILE A 45 3.276 -0.214 -6.084 1.00 0.00 C ATOM 620 CG2 ILE A 45 0.902 -0.751 -5.479 1.00 0.00 C ATOM 621 CD1 ILE A 45 3.873 -1.445 -6.728 1.00 0.00 C ATOM 0 H ILE A 45 3.983 -0.221 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 45 2.181 1.560 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 45 2.638 -1.447 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.752 0.366 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.082 0.414 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.915 -1.559 -6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.236 -1.016 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.546 0.163 -5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.549 -1.145 -7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.426 -2.015 -5.981 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.075 -2.064 -7.139 1.00 0.00 H new ATOM 633 N LEU A 46 0.079 1.146 -3.132 1.00 0.00 N ATOM 634 CA LEU A 46 -1.095 1.042 -2.272 1.00 0.00 C ATOM 635 C LEU A 46 -2.232 0.321 -2.989 1.00 0.00 C ATOM 636 O LEU A 46 -2.211 0.169 -4.210 1.00 0.00 O ATOM 637 CB LEU A 46 -1.554 2.432 -1.832 1.00 0.00 C ATOM 638 CG LEU A 46 -0.953 2.956 -0.527 1.00 0.00 C ATOM 639 CD1 LEU A 46 -1.321 4.417 -0.319 1.00 0.00 C ATOM 640 CD2 LEU A 46 -1.419 2.114 0.651 1.00 0.00 C ATOM 0 H LEU A 46 -0.009 1.830 -3.883 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.820 0.462 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.318 3.139 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.639 2.419 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 46 0.132 2.882 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.885 4.773 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.937 5.011 -1.149 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.406 4.516 -0.274 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.981 2.502 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.506 2.156 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.104 1.081 0.507 1.00 0.00 H new ATOM 652 N GLU A 47 -3.224 -0.119 -2.221 1.00 0.00 N ATOM 653 CA GLU A 47 -4.371 -0.823 -2.784 1.00 0.00 C ATOM 654 C GLU A 47 -5.629 -0.556 -1.962 1.00 0.00 C ATOM 655 O GLU A 47 -5.564 -0.381 -0.745 1.00 0.00 O ATOM 656 CB GLU A 47 -4.096 -2.327 -2.843 1.00 0.00 C ATOM 657 CG GLU A 47 -3.460 -2.779 -4.147 1.00 0.00 C ATOM 658 CD GLU A 47 -3.756 -4.231 -4.468 1.00 0.00 C ATOM 659 OE1 GLU A 47 -4.021 -5.004 -3.523 1.00 0.00 O ATOM 660 OE2 GLU A 47 -3.723 -4.594 -5.662 1.00 0.00 O ATOM 0 H GLU A 47 -3.257 -0.001 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.533 -0.451 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.442 -2.601 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.033 -2.865 -2.700 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.822 -2.150 -4.960 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.381 -2.636 -4.089 1.00 0.00 H new ATOM 667 N LEU A 48 -6.773 -0.526 -2.637 1.00 0.00 N ATOM 668 CA LEU A 48 -8.048 -0.281 -1.971 1.00 0.00 C ATOM 669 C LEU A 48 -9.214 -0.736 -2.843 1.00 0.00 C ATOM 670 O LEU A 48 -9.285 -0.400 -4.025 1.00 0.00 O ATOM 671 CB LEU A 48 -8.194 1.205 -1.638 1.00 0.00 C ATOM 672 CG LEU A 48 -9.524 1.625 -1.011 1.00 0.00 C ATOM 673 CD1 LEU A 48 -10.558 1.903 -2.090 1.00 0.00 C ATOM 674 CD2 LEU A 48 -10.024 0.552 -0.054 1.00 0.00 C ATOM 0 H LEU A 48 -6.844 -0.668 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.064 -0.858 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.390 1.485 -0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.050 1.778 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.364 2.543 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.498 2.200 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.203 2.706 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.716 1.002 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.971 0.867 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.168 -0.382 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.291 0.401 0.739 1.00 0.00 H new ATOM 686 N ASP A 49 -10.126 -1.499 -2.251 1.00 0.00 N ATOM 687 CA ASP A 49 -11.291 -1.997 -2.972 1.00 0.00 C ATOM 688 C ASP A 49 -12.490 -1.075 -2.771 1.00 0.00 C ATOM 689 O ASP A 49 -12.545 -0.314 -1.805 1.00 0.00 O ATOM 690 CB ASP A 49 -11.637 -3.413 -2.509 1.00 0.00 C ATOM 691 CG ASP A 49 -11.990 -3.470 -1.036 1.00 0.00 C ATOM 692 OD1 ASP A 49 -11.457 -2.644 -0.266 1.00 0.00 O ATOM 693 OD2 ASP A 49 -12.798 -4.342 -0.653 1.00 0.00 O ATOM 0 H ASP A 49 -10.081 -1.786 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 49 -11.048 -2.020 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.475 -3.789 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.791 -4.072 -2.703 1.00 0.00 H new ATOM 698 N ASP A 50 -13.447 -1.148 -3.689 1.00 0.00 N ATOM 699 CA ASP A 50 -14.645 -0.321 -3.613 1.00 0.00 C ATOM 700 C ASP A 50 -15.663 -0.926 -2.651 1.00 0.00 C ATOM 701 O ASP A 50 -16.855 -0.989 -2.952 1.00 0.00 O ATOM 702 CB ASP A 50 -15.268 -0.159 -5.000 1.00 0.00 C ATOM 703 CG ASP A 50 -14.435 0.723 -5.909 1.00 0.00 C ATOM 704 OD1 ASP A 50 -13.198 0.747 -5.741 1.00 0.00 O ATOM 705 OD2 ASP A 50 -15.021 1.390 -6.789 1.00 0.00 O ATOM 0 H ASP A 50 -13.416 -1.772 -4.495 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.356 0.660 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.386 -1.141 -5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.266 0.268 -4.899 1.00 0.00 H new ATOM 710 N GLY A 51 -15.185 -1.372 -1.494 1.00 0.00 N ATOM 711 CA GLY A 51 -16.066 -1.968 -0.507 1.00 0.00 C ATOM 712 C GLY A 51 -17.010 -2.987 -1.113 1.00 0.00 C ATOM 713 O GLY A 51 -18.111 -3.201 -0.607 1.00 0.00 O ATOM 0 H GLY A 51 -14.203 -1.331 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.467 -2.447 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.646 -1.183 -0.021 1.00 0.00 H new ATOM 717 N ASN A 52 -16.580 -3.616 -2.202 1.00 0.00 N ATOM 718 CA ASN A 52 -17.397 -4.617 -2.879 1.00 0.00 C ATOM 719 C ASN A 52 -16.923 -6.027 -2.538 1.00 0.00 C ATOM 720 O ASN A 52 -17.721 -6.961 -2.469 1.00 0.00 O ATOM 721 CB ASN A 52 -17.350 -4.403 -4.394 1.00 0.00 C ATOM 722 CG ASN A 52 -18.273 -3.290 -4.849 1.00 0.00 C ATOM 723 OD1 ASN A 52 -17.822 -2.205 -5.214 1.00 0.00 O ATOM 724 ND2 ASN A 52 -19.574 -3.556 -4.830 1.00 0.00 N ATOM 0 H ASN A 52 -15.671 -3.451 -2.634 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.425 -4.505 -2.534 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.328 -4.169 -4.694 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.626 -5.329 -4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.244 -2.846 -5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.903 -4.470 -4.519 1.00 0.00 H new ATOM 731 N GLY A 53 -15.619 -6.172 -2.325 1.00 0.00 N ATOM 732 CA GLY A 53 -15.062 -7.470 -1.994 1.00 0.00 C ATOM 733 C GLY A 53 -14.505 -8.190 -3.207 1.00 0.00 C ATOM 734 O GLY A 53 -14.413 -9.416 -3.222 1.00 0.00 O ATOM 0 H GLY A 53 -14.939 -5.414 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.271 -7.344 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.834 -8.086 -1.533 1.00 0.00 H new ATOM 738 N GLY A 54 -14.135 -7.424 -4.229 1.00 0.00 N ATOM 739 CA GLY A 54 -13.591 -8.013 -5.438 1.00 0.00 C ATOM 740 C GLY A 54 -12.076 -7.976 -5.471 1.00 0.00 C ATOM 741 O GLY A 54 -11.417 -8.499 -4.572 1.00 0.00 O ATOM 0 H GLY A 54 -14.202 -6.406 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.928 -9.047 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.983 -7.482 -6.305 1.00 0.00 H new ATOM 745 N GLN A 55 -11.523 -7.359 -6.510 1.00 0.00 N ATOM 746 CA GLN A 55 -10.076 -7.259 -6.656 1.00 0.00 C ATOM 747 C GLN A 55 -9.579 -5.883 -6.224 1.00 0.00 C ATOM 748 O GLN A 55 -10.273 -4.880 -6.391 1.00 0.00 O ATOM 749 CB GLN A 55 -9.669 -7.529 -8.105 1.00 0.00 C ATOM 750 CG GLN A 55 -10.406 -6.666 -9.116 1.00 0.00 C ATOM 751 CD GLN A 55 -9.879 -6.839 -10.527 1.00 0.00 C ATOM 752 OE1 GLN A 55 -8.713 -6.559 -10.805 1.00 0.00 O ATOM 753 NE2 GLN A 55 -10.738 -7.303 -11.427 1.00 0.00 N ATOM 0 H GLN A 55 -12.055 -6.921 -7.262 1.00 0.00 H new ATOM 0 HA GLN A 55 -9.618 -8.009 -6.011 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.597 -7.361 -8.210 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.851 -8.579 -8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.467 -6.915 -9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.319 -5.619 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.696 -7.522 -11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.440 -7.440 -12.393 1.00 0.00 H new ATOM 762 N PHE A 56 -8.372 -5.843 -5.668 1.00 0.00 N ATOM 763 CA PHE A 56 -7.783 -4.590 -5.211 1.00 0.00 C ATOM 764 C PHE A 56 -7.000 -3.915 -6.334 1.00 0.00 C ATOM 765 O PHE A 56 -6.146 -4.534 -6.968 1.00 0.00 O ATOM 766 CB PHE A 56 -6.864 -4.841 -4.014 1.00 0.00 C ATOM 767 CG PHE A 56 -7.591 -5.323 -2.791 1.00 0.00 C ATOM 768 CD1 PHE A 56 -8.326 -6.497 -2.823 1.00 0.00 C ATOM 769 CD2 PHE A 56 -7.541 -4.601 -1.609 1.00 0.00 C ATOM 770 CE1 PHE A 56 -8.996 -6.944 -1.700 1.00 0.00 C ATOM 771 CE2 PHE A 56 -8.208 -5.042 -0.483 1.00 0.00 C ATOM 772 CZ PHE A 56 -8.938 -6.215 -0.528 1.00 0.00 C ATOM 0 H PHE A 56 -7.783 -6.663 -5.523 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.593 -3.927 -4.907 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.110 -5.577 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.335 -3.919 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.376 -7.070 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -6.974 -3.683 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.564 -7.862 -1.739 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.159 -4.471 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.462 -6.561 0.351 1.00 0.00 H new ATOM 782 N ARG A 57 -7.300 -2.643 -6.574 1.00 0.00 N ATOM 783 CA ARG A 57 -6.626 -1.884 -7.622 1.00 0.00 C ATOM 784 C ARG A 57 -5.703 -0.828 -7.020 1.00 0.00 C ATOM 785 O ARG A 57 -6.045 -0.185 -6.029 1.00 0.00 O ATOM 786 CB ARG A 57 -7.654 -1.217 -8.538 1.00 0.00 C ATOM 787 CG ARG A 57 -8.423 -0.089 -7.870 1.00 0.00 C ATOM 788 CD ARG A 57 -9.203 0.731 -8.886 1.00 0.00 C ATOM 789 NE ARG A 57 -8.403 1.819 -9.443 1.00 0.00 N ATOM 790 CZ ARG A 57 -8.925 2.884 -10.040 1.00 0.00 C ATOM 791 NH1 ARG A 57 -10.240 3.005 -10.157 1.00 0.00 N ATOM 792 NH2 ARG A 57 -8.131 3.832 -10.521 1.00 0.00 N ATOM 0 H ARG A 57 -8.005 -2.116 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.023 -2.577 -8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.144 -0.826 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.360 -1.970 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.109 -0.503 -7.131 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.729 0.558 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.542 0.081 -9.693 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.094 1.142 -8.412 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.388 1.757 -9.369 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.854 2.279 -9.788 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.638 3.824 -10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -7.119 3.743 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.533 4.650 -10.979 1.00 0.00 H new ATOM 806 N GLU A 58 -4.533 -0.657 -7.627 1.00 0.00 N ATOM 807 CA GLU A 58 -3.561 0.319 -7.150 1.00 0.00 C ATOM 808 C GLU A 58 -4.199 1.698 -7.011 1.00 0.00 C ATOM 809 O GLU A 58 -4.907 2.160 -7.906 1.00 0.00 O ATOM 810 CB GLU A 58 -2.367 0.391 -8.104 1.00 0.00 C ATOM 811 CG GLU A 58 -1.316 -0.676 -7.845 1.00 0.00 C ATOM 812 CD GLU A 58 -1.602 -1.968 -8.586 1.00 0.00 C ATOM 813 OE1 GLU A 58 -1.585 -1.951 -9.835 1.00 0.00 O ATOM 814 OE2 GLU A 58 -1.843 -2.995 -7.917 1.00 0.00 O ATOM 0 H GLU A 58 -4.236 -1.182 -8.450 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.213 -0.002 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.725 0.295 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.903 1.374 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.338 -0.298 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.265 -0.879 -6.775 1.00 0.00 H new ATOM 821 N VAL A 59 -3.942 2.352 -5.882 1.00 0.00 N ATOM 822 CA VAL A 59 -4.490 3.678 -5.626 1.00 0.00 C ATOM 823 C VAL A 59 -3.389 4.732 -5.599 1.00 0.00 C ATOM 824 O VAL A 59 -3.634 5.908 -5.867 1.00 0.00 O ATOM 825 CB VAL A 59 -5.258 3.720 -4.291 1.00 0.00 C ATOM 826 CG1 VAL A 59 -6.515 2.868 -4.371 1.00 0.00 C ATOM 827 CG2 VAL A 59 -4.364 3.260 -3.148 1.00 0.00 C ATOM 0 H VAL A 59 -3.358 1.985 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.180 3.898 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.558 4.750 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.044 2.910 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.162 3.247 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.242 1.836 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.922 3.296 -2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.032 2.238 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.496 3.916 -3.078 1.00 0.00 H new ATOM 837 N TYR A 60 -2.175 4.302 -5.273 1.00 0.00 N ATOM 838 CA TYR A 60 -1.035 5.209 -5.209 1.00 0.00 C ATOM 839 C TYR A 60 0.280 4.436 -5.261 1.00 0.00 C ATOM 840 O TYR A 60 0.365 3.301 -4.791 1.00 0.00 O ATOM 841 CB TYR A 60 -1.095 6.049 -3.932 1.00 0.00 C ATOM 842 CG TYR A 60 0.264 6.447 -3.404 1.00 0.00 C ATOM 843 CD1 TYR A 60 0.958 5.623 -2.525 1.00 0.00 C ATOM 844 CD2 TYR A 60 0.855 7.646 -3.782 1.00 0.00 C ATOM 845 CE1 TYR A 60 2.200 5.983 -2.039 1.00 0.00 C ATOM 846 CE2 TYR A 60 2.097 8.013 -3.302 1.00 0.00 C ATOM 847 CZ TYR A 60 2.766 7.178 -2.431 1.00 0.00 C ATOM 848 OH TYR A 60 4.003 7.541 -1.950 1.00 0.00 O ATOM 0 H TYR A 60 -1.955 3.331 -5.049 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.081 5.871 -6.074 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.678 6.949 -4.127 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.624 5.487 -3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.519 4.686 -2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.334 8.303 -4.463 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.725 5.332 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.542 8.949 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 60 4.429 6.767 -1.527 1.00 0.00 H new ATOM 858 N VAL A 61 1.304 5.060 -5.835 1.00 0.00 N ATOM 859 CA VAL A 61 2.615 4.433 -5.947 1.00 0.00 C ATOM 860 C VAL A 61 3.685 5.459 -6.306 1.00 0.00 C ATOM 861 O VAL A 61 3.573 6.165 -7.307 1.00 0.00 O ATOM 862 CB VAL A 61 2.614 3.316 -7.007 1.00 0.00 C ATOM 863 CG1 VAL A 61 1.936 3.791 -8.283 1.00 0.00 C ATOM 864 CG2 VAL A 61 4.035 2.850 -7.291 1.00 0.00 C ATOM 0 H VAL A 61 1.250 5.999 -6.229 1.00 0.00 H new ATOM 0 HA VAL A 61 2.843 3.999 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 61 2.049 2.470 -6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.945 2.988 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.906 4.072 -8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.471 4.654 -8.680 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.016 2.060 -8.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.626 3.688 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.483 2.467 -6.374 1.00 0.00 H new ATOM 874 N GLY A 62 4.725 5.534 -5.480 1.00 0.00 N ATOM 875 CA GLY A 62 5.801 6.476 -5.727 1.00 0.00 C ATOM 876 C GLY A 62 6.989 6.252 -4.813 1.00 0.00 C ATOM 877 O GLY A 62 7.493 5.134 -4.699 1.00 0.00 O ATOM 0 H GLY A 62 4.841 4.960 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.124 6.390 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.429 7.492 -5.592 1.00 0.00 H new ATOM 881 N LYS A 63 7.440 7.317 -4.159 1.00 0.00 N ATOM 882 CA LYS A 63 8.576 7.234 -3.250 1.00 0.00 C ATOM 883 C LYS A 63 8.139 7.475 -1.809 1.00 0.00 C ATOM 884 O LYS A 63 8.724 6.930 -0.874 1.00 0.00 O ATOM 885 CB LYS A 63 9.649 8.251 -3.646 1.00 0.00 C ATOM 886 CG LYS A 63 9.133 9.677 -3.729 1.00 0.00 C ATOM 887 CD LYS A 63 10.273 10.681 -3.778 1.00 0.00 C ATOM 888 CE LYS A 63 9.782 12.063 -4.180 1.00 0.00 C ATOM 889 NZ LYS A 63 8.855 12.638 -3.166 1.00 0.00 N ATOM 0 H LYS A 63 7.035 8.249 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 63 8.993 6.229 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.462 8.209 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.067 7.968 -4.612 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.510 9.788 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.499 9.886 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.754 10.735 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.028 10.341 -4.487 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.636 12.728 -4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.275 12.003 -5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.043 13.656 -3.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.872 12.497 -3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.002 12.163 -2.253 1.00 0.00 H new ATOM 903 N GLU A 64 7.106 8.294 -1.638 1.00 0.00 N ATOM 904 CA GLU A 64 6.591 8.606 -0.310 1.00 0.00 C ATOM 905 C GLU A 64 5.946 7.378 0.326 1.00 0.00 C ATOM 906 O GLU A 64 5.661 6.390 -0.352 1.00 0.00 O ATOM 907 CB GLU A 64 5.574 9.746 -0.388 1.00 0.00 C ATOM 908 CG GLU A 64 6.157 11.048 -0.912 1.00 0.00 C ATOM 909 CD GLU A 64 7.115 11.695 0.069 1.00 0.00 C ATOM 910 OE1 GLU A 64 6.987 11.432 1.283 1.00 0.00 O ATOM 911 OE2 GLU A 64 7.993 12.463 -0.377 1.00 0.00 O ATOM 0 H GLU A 64 6.610 8.753 -2.402 1.00 0.00 H new ATOM 0 HA GLU A 64 7.430 8.918 0.312 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.749 9.442 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.157 9.918 0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.678 10.857 -1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.346 11.742 -1.133 1.00 0.00 H new ATOM 918 N THR A 65 5.719 7.446 1.634 1.00 0.00 N ATOM 919 CA THR A 65 5.110 6.340 2.363 1.00 0.00 C ATOM 920 C THR A 65 3.802 6.768 3.019 1.00 0.00 C ATOM 921 O THR A 65 3.370 6.176 4.007 1.00 0.00 O ATOM 922 CB THR A 65 6.059 5.791 3.445 1.00 0.00 C ATOM 923 OG1 THR A 65 6.113 6.695 4.554 1.00 0.00 O ATOM 924 CG2 THR A 65 7.457 5.584 2.884 1.00 0.00 C ATOM 0 H THR A 65 5.948 8.256 2.211 1.00 0.00 H new ATOM 0 HA THR A 65 4.908 5.554 1.635 1.00 0.00 H new ATOM 0 HB THR A 65 5.673 4.828 3.781 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.780 6.246 5.359 1.00 0.00 H new ATOM 0 HG21 THR A 65 8.109 5.196 3.666 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.416 4.872 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.849 6.535 2.524 1.00 0.00 H new ATOM 932 N MET A 66 3.176 7.800 2.462 1.00 0.00 N ATOM 933 CA MET A 66 1.916 8.305 2.993 1.00 0.00 C ATOM 934 C MET A 66 1.020 8.820 1.871 1.00 0.00 C ATOM 935 O MET A 66 1.427 9.675 1.083 1.00 0.00 O ATOM 936 CB MET A 66 2.176 9.421 4.007 1.00 0.00 C ATOM 937 CG MET A 66 0.915 10.146 4.449 1.00 0.00 C ATOM 938 SD MET A 66 1.250 11.804 5.073 1.00 0.00 S ATOM 939 CE MET A 66 0.073 11.903 6.420 1.00 0.00 C ATOM 0 H MET A 66 3.521 8.302 1.644 1.00 0.00 H new ATOM 0 HA MET A 66 1.405 7.482 3.492 1.00 0.00 H new ATOM 0 HB2 MET A 66 2.668 8.998 4.883 1.00 0.00 H new ATOM 0 HB3 MET A 66 2.867 10.143 3.571 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.224 10.211 3.608 1.00 0.00 H new ATOM 0 HG3 MET A 66 0.419 9.563 5.225 1.00 0.00 H new ATOM 0 HE1 MET A 66 0.510 12.467 7.244 1.00 0.00 H new ATOM 0 HE2 MET A 66 -0.832 12.404 6.076 1.00 0.00 H new ATOM 0 HE3 MET A 66 -0.176 10.898 6.760 1.00 0.00 H new ATOM 949 N CYS A 67 -0.198 8.295 1.804 1.00 0.00 N ATOM 950 CA CYS A 67 -1.150 8.701 0.776 1.00 0.00 C ATOM 951 C CYS A 67 -2.579 8.643 1.306 1.00 0.00 C ATOM 952 O CYS A 67 -2.935 7.741 2.066 1.00 0.00 O ATOM 953 CB CYS A 67 -1.013 7.808 -0.457 1.00 0.00 C ATOM 954 SG CYS A 67 -1.941 8.389 -1.896 1.00 0.00 S ATOM 0 H CYS A 67 -0.550 7.587 2.449 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.927 9.730 0.495 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.041 7.734 -0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.349 6.803 -0.203 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.168 8.386 -2.941 1.00 0.00 H new ATOM 960 N THR A 68 -3.395 9.611 0.901 1.00 0.00 N ATOM 961 CA THR A 68 -4.785 9.672 1.336 1.00 0.00 C ATOM 962 C THR A 68 -5.737 9.616 0.147 1.00 0.00 C ATOM 963 O THR A 68 -5.498 10.249 -0.882 1.00 0.00 O ATOM 964 CB THR A 68 -5.065 10.953 2.144 1.00 0.00 C ATOM 965 OG1 THR A 68 -4.039 11.148 3.124 1.00 0.00 O ATOM 966 CG2 THR A 68 -6.420 10.874 2.831 1.00 0.00 C ATOM 0 H THR A 68 -3.117 10.364 0.272 1.00 0.00 H new ATOM 0 HA THR A 68 -4.954 8.805 1.974 1.00 0.00 H new ATOM 0 HB THR A 68 -5.073 11.797 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.223 11.965 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.596 11.790 3.395 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.202 10.754 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.435 10.021 3.510 1.00 0.00 H new ATOM 974 N VAL A 69 -6.817 8.856 0.294 1.00 0.00 N ATOM 975 CA VAL A 69 -7.807 8.719 -0.768 1.00 0.00 C ATOM 976 C VAL A 69 -9.052 9.546 -0.468 1.00 0.00 C ATOM 977 O VAL A 69 -9.519 9.593 0.670 1.00 0.00 O ATOM 978 CB VAL A 69 -8.216 7.248 -0.968 1.00 0.00 C ATOM 979 CG1 VAL A 69 -8.848 6.693 0.299 1.00 0.00 C ATOM 980 CG2 VAL A 69 -9.165 7.116 -2.149 1.00 0.00 C ATOM 0 H VAL A 69 -7.029 8.325 1.139 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.343 9.086 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.320 6.665 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.131 5.653 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.132 6.753 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.735 7.276 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.444 6.070 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.060 7.711 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.672 7.473 -3.053 1.00 0.00 H new ATOM 990 N ASP A 70 -9.586 10.196 -1.496 1.00 0.00 N ATOM 991 CA ASP A 70 -10.779 11.020 -1.344 1.00 0.00 C ATOM 992 C ASP A 70 -11.935 10.461 -2.167 1.00 0.00 C ATOM 993 O ASP A 70 -11.732 9.920 -3.253 1.00 0.00 O ATOM 994 CB ASP A 70 -10.487 12.461 -1.766 1.00 0.00 C ATOM 995 CG ASP A 70 -11.730 13.189 -2.239 1.00 0.00 C ATOM 996 OD1 ASP A 70 -12.457 13.737 -1.384 1.00 0.00 O ATOM 997 OD2 ASP A 70 -11.975 13.211 -3.463 1.00 0.00 O ATOM 0 H ASP A 70 -9.211 10.168 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.066 11.008 -0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.051 13.001 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.745 12.459 -2.564 1.00 0.00 H new ATOM 1002 N GLY A 71 -13.149 10.594 -1.640 1.00 0.00 N ATOM 1003 CA GLY A 71 -14.319 10.095 -2.339 1.00 0.00 C ATOM 1004 C GLY A 71 -14.560 8.620 -2.087 1.00 0.00 C ATOM 1005 O GLY A 71 -14.463 7.802 -3.002 1.00 0.00 O ATOM 0 H GLY A 71 -13.343 11.038 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.195 10.662 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -14.198 10.262 -3.409 1.00 0.00 H new ATOM 1009 N LEU A 72 -14.873 8.278 -0.842 1.00 0.00 N ATOM 1010 CA LEU A 72 -15.128 6.890 -0.471 1.00 0.00 C ATOM 1011 C LEU A 72 -16.585 6.693 -0.068 1.00 0.00 C ATOM 1012 O LEU A 72 -17.221 7.601 0.469 1.00 0.00 O ATOM 1013 CB LEU A 72 -14.208 6.472 0.678 1.00 0.00 C ATOM 1014 CG LEU A 72 -12.710 6.462 0.369 1.00 0.00 C ATOM 1015 CD1 LEU A 72 -11.900 6.520 1.654 1.00 0.00 C ATOM 1016 CD2 LEU A 72 -12.342 5.227 -0.441 1.00 0.00 C ATOM 0 H LEU A 72 -14.956 8.942 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.923 6.264 -1.339 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.381 7.144 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.498 5.473 1.004 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.474 7.345 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.837 6.512 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.143 7.434 2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.139 5.656 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.273 5.236 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.592 4.331 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.897 5.228 -1.379 1.00 0.00 H new ATOM 1028 N HIS A 73 -17.110 5.499 -0.328 1.00 0.00 N ATOM 1029 CA HIS A 73 -18.492 5.181 0.010 1.00 0.00 C ATOM 1030 C HIS A 73 -18.724 5.297 1.514 1.00 0.00 C ATOM 1031 O HIS A 73 -17.777 5.430 2.290 1.00 0.00 O ATOM 1032 CB HIS A 73 -18.845 3.771 -0.465 1.00 0.00 C ATOM 1033 CG HIS A 73 -20.306 3.577 -0.732 1.00 0.00 C ATOM 1034 ND1 HIS A 73 -21.088 2.691 -0.021 1.00 0.00 N ATOM 1035 CD2 HIS A 73 -21.126 4.161 -1.636 1.00 0.00 C ATOM 1036 CE1 HIS A 73 -22.327 2.738 -0.478 1.00 0.00 C ATOM 1037 NE2 HIS A 73 -22.377 3.622 -1.458 1.00 0.00 N ATOM 0 H HIS A 73 -16.598 4.736 -0.772 1.00 0.00 H new ATOM 0 HA HIS A 73 -19.138 5.899 -0.496 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -18.286 3.552 -1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -18.523 3.052 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -20.849 4.911 -2.362 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -23.158 2.153 -0.112 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -23.209 3.865 -1.995 1.00 0.00 H new ATOM 1046 N PHE A 74 -19.989 5.245 1.918 1.00 0.00 N ATOM 1047 CA PHE A 74 -20.345 5.346 3.329 1.00 0.00 C ATOM 1048 C PHE A 74 -20.942 4.035 3.834 1.00 0.00 C ATOM 1049 O PHE A 74 -21.379 3.197 3.047 1.00 0.00 O ATOM 1050 CB PHE A 74 -21.339 6.489 3.546 1.00 0.00 C ATOM 1051 CG PHE A 74 -22.251 6.720 2.375 1.00 0.00 C ATOM 1052 CD1 PHE A 74 -21.770 7.281 1.204 1.00 0.00 C ATOM 1053 CD2 PHE A 74 -23.592 6.375 2.447 1.00 0.00 C ATOM 1054 CE1 PHE A 74 -22.607 7.495 0.125 1.00 0.00 C ATOM 1055 CE2 PHE A 74 -24.434 6.586 1.371 1.00 0.00 C ATOM 1056 CZ PHE A 74 -23.941 7.148 0.210 1.00 0.00 C ATOM 0 H PHE A 74 -20.784 5.134 1.289 1.00 0.00 H new ATOM 0 HA PHE A 74 -19.436 5.553 3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -21.941 6.274 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -20.787 7.406 3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -20.728 7.555 1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -23.983 5.937 3.353 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -22.219 7.933 -0.783 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -25.476 6.312 1.438 1.00 0.00 H new ATOM 0 HZ PHE A 74 -24.598 7.316 -0.631 1.00 0.00 H new ATOM 1066 N ASN A 75 -20.956 3.867 5.152 1.00 0.00 N ATOM 1067 CA ASN A 75 -21.498 2.659 5.763 1.00 0.00 C ATOM 1068 C ASN A 75 -21.151 1.427 4.933 1.00 0.00 C ATOM 1069 O ASN A 75 -22.027 0.642 4.572 1.00 0.00 O ATOM 1070 CB ASN A 75 -23.016 2.775 5.914 1.00 0.00 C ATOM 1071 CG ASN A 75 -23.416 3.771 6.985 1.00 0.00 C ATOM 1072 OD1 ASN A 75 -23.005 3.656 8.140 1.00 0.00 O ATOM 1073 ND2 ASN A 75 -24.221 4.757 6.605 1.00 0.00 N ATOM 0 H ASN A 75 -20.598 4.552 5.818 1.00 0.00 H new ATOM 0 HA ASN A 75 -21.049 2.549 6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -23.451 3.076 4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -23.430 1.797 6.159 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -24.523 5.458 7.281 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -24.537 4.813 5.637 1.00 0.00 H new ATOM 1080 N SER A 76 -19.866 1.264 4.634 1.00 0.00 N ATOM 1081 CA SER A 76 -19.403 0.129 3.843 1.00 0.00 C ATOM 1082 C SER A 76 -18.021 -0.325 4.303 1.00 0.00 C ATOM 1083 O SER A 76 -17.182 0.490 4.689 1.00 0.00 O ATOM 1084 CB SER A 76 -19.363 0.497 2.359 1.00 0.00 C ATOM 1085 OG SER A 76 -18.801 1.784 2.167 1.00 0.00 O ATOM 0 H SER A 76 -19.127 1.903 4.927 1.00 0.00 H new ATOM 0 HA SER A 76 -20.104 -0.693 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 76 -18.778 -0.244 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.372 0.472 1.948 1.00 0.00 H new ATOM 0 HG SER A 76 -17.835 1.701 2.021 1.00 0.00 H new ATOM 1091 N THR A 77 -17.790 -1.634 4.259 1.00 0.00 N ATOM 1092 CA THR A 77 -16.511 -2.198 4.672 1.00 0.00 C ATOM 1093 C THR A 77 -15.474 -2.080 3.561 1.00 0.00 C ATOM 1094 O THR A 77 -15.631 -2.660 2.487 1.00 0.00 O ATOM 1095 CB THR A 77 -16.654 -3.680 5.069 1.00 0.00 C ATOM 1096 OG1 THR A 77 -17.832 -3.863 5.862 1.00 0.00 O ATOM 1097 CG2 THR A 77 -15.434 -4.151 5.847 1.00 0.00 C ATOM 0 H THR A 77 -18.472 -2.323 3.942 1.00 0.00 H new ATOM 0 HA THR A 77 -16.178 -1.627 5.539 1.00 0.00 H new ATOM 0 HB THR A 77 -16.735 -4.272 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.917 -4.808 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.557 -5.200 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.543 -4.037 5.230 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.327 -3.554 6.752 1.00 0.00 H new ATOM 1105 N TYR A 78 -14.413 -1.325 3.827 1.00 0.00 N ATOM 1106 CA TYR A 78 -13.350 -1.129 2.849 1.00 0.00 C ATOM 1107 C TYR A 78 -12.028 -1.695 3.360 1.00 0.00 C ATOM 1108 O TYR A 78 -11.643 -1.465 4.505 1.00 0.00 O ATOM 1109 CB TYR A 78 -13.191 0.358 2.529 1.00 0.00 C ATOM 1110 CG TYR A 78 -14.082 0.834 1.404 1.00 0.00 C ATOM 1111 CD1 TYR A 78 -15.461 0.678 1.471 1.00 0.00 C ATOM 1112 CD2 TYR A 78 -13.545 1.438 0.274 1.00 0.00 C ATOM 1113 CE1 TYR A 78 -16.279 1.111 0.445 1.00 0.00 C ATOM 1114 CE2 TYR A 78 -14.356 1.875 -0.756 1.00 0.00 C ATOM 1115 CZ TYR A 78 -15.722 1.709 -0.666 1.00 0.00 C ATOM 1116 OH TYR A 78 -16.533 2.141 -1.690 1.00 0.00 O ATOM 0 H TYR A 78 -14.267 -0.839 4.712 1.00 0.00 H new ATOM 0 HA TYR A 78 -13.625 -1.662 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -13.409 0.939 3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -12.152 0.555 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.901 0.210 2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -12.475 1.568 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.349 0.982 0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.922 2.344 -1.627 1.00 0.00 H new ATOM 0 HH TYR A 78 -15.983 2.540 -2.397 1.00 0.00 H new ATOM 1126 N ASN A 79 -11.338 -2.437 2.500 1.00 0.00 N ATOM 1127 CA ASN A 79 -10.059 -3.037 2.863 1.00 0.00 C ATOM 1128 C ASN A 79 -8.916 -2.396 2.082 1.00 0.00 C ATOM 1129 O ASN A 79 -9.006 -2.215 0.868 1.00 0.00 O ATOM 1130 CB ASN A 79 -10.087 -4.545 2.603 1.00 0.00 C ATOM 1131 CG ASN A 79 -11.038 -5.274 3.531 1.00 0.00 C ATOM 1132 OD1 ASN A 79 -10.792 -5.379 4.733 1.00 0.00 O ATOM 1133 ND2 ASN A 79 -12.132 -5.784 2.977 1.00 0.00 N ATOM 0 H ASN A 79 -11.643 -2.637 1.547 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.892 -2.861 3.926 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.381 -4.727 1.569 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.083 -4.951 2.725 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.808 -6.286 3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.296 -5.673 1.976 1.00 0.00 H new ATOM 1140 N ALA A 80 -7.843 -2.054 2.787 1.00 0.00 N ATOM 1141 CA ALA A 80 -6.682 -1.436 2.160 1.00 0.00 C ATOM 1142 C ALA A 80 -5.392 -2.122 2.596 1.00 0.00 C ATOM 1143 O ALA A 80 -5.259 -2.542 3.746 1.00 0.00 O ATOM 1144 CB ALA A 80 -6.631 0.049 2.492 1.00 0.00 C ATOM 0 H ALA A 80 -7.754 -2.195 3.793 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.778 -1.553 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.759 0.498 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.535 0.535 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.563 0.178 3.572 1.00 0.00 H new ATOM 1150 N ARG A 81 -4.444 -2.232 1.671 1.00 0.00 N ATOM 1151 CA ARG A 81 -3.165 -2.869 1.961 1.00 0.00 C ATOM 1152 C ARG A 81 -2.033 -2.186 1.200 1.00 0.00 C ATOM 1153 O ARG A 81 -2.181 -1.834 0.029 1.00 0.00 O ATOM 1154 CB ARG A 81 -3.216 -4.354 1.595 1.00 0.00 C ATOM 1155 CG ARG A 81 -3.810 -4.623 0.222 1.00 0.00 C ATOM 1156 CD ARG A 81 -4.392 -6.025 0.131 1.00 0.00 C ATOM 1157 NE ARG A 81 -4.667 -6.415 -1.249 1.00 0.00 N ATOM 1158 CZ ARG A 81 -5.559 -7.339 -1.588 1.00 0.00 C ATOM 1159 NH1 ARG A 81 -6.260 -7.963 -0.651 1.00 0.00 N ATOM 1160 NH2 ARG A 81 -5.753 -7.639 -2.866 1.00 0.00 N ATOM 0 H ARG A 81 -4.537 -1.889 0.715 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.973 -2.771 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.206 -4.763 1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.802 -4.885 2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.589 -3.890 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.040 -4.497 -0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.696 -6.736 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.313 -6.074 0.712 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.145 -5.952 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.115 -7.734 0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.944 -8.672 -0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.217 -7.160 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.438 -8.349 -3.125 1.00 0.00 H new ATOM 1174 N VAL A 82 -0.901 -2.001 1.873 1.00 0.00 N ATOM 1175 CA VAL A 82 0.256 -1.360 1.261 1.00 0.00 C ATOM 1176 C VAL A 82 1.444 -2.313 1.201 1.00 0.00 C ATOM 1177 O VAL A 82 1.688 -3.079 2.133 1.00 0.00 O ATOM 1178 CB VAL A 82 0.669 -0.091 2.031 1.00 0.00 C ATOM 1179 CG1 VAL A 82 1.261 -0.457 3.383 1.00 0.00 C ATOM 1180 CG2 VAL A 82 1.653 0.732 1.213 1.00 0.00 C ATOM 0 H VAL A 82 -0.761 -2.286 2.842 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.036 -1.082 0.248 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.220 0.515 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.547 0.452 3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.520 -1.001 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.140 -1.084 3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.934 1.625 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.543 0.137 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.188 1.025 0.272 1.00 0.00 H new ATOM 1190 N LYS A 83 2.182 -2.262 0.097 1.00 0.00 N ATOM 1191 CA LYS A 83 3.347 -3.119 -0.086 1.00 0.00 C ATOM 1192 C LYS A 83 4.529 -2.323 -0.631 1.00 0.00 C ATOM 1193 O LYS A 83 4.359 -1.223 -1.155 1.00 0.00 O ATOM 1194 CB LYS A 83 3.014 -4.272 -1.036 1.00 0.00 C ATOM 1195 CG LYS A 83 2.607 -3.816 -2.426 1.00 0.00 C ATOM 1196 CD LYS A 83 2.854 -4.899 -3.463 1.00 0.00 C ATOM 1197 CE LYS A 83 2.713 -4.359 -4.878 1.00 0.00 C ATOM 1198 NZ LYS A 83 1.302 -4.403 -5.351 1.00 0.00 N ATOM 0 H LYS A 83 1.993 -1.635 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 83 3.623 -3.526 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.881 -4.927 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.206 -4.864 -0.606 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.551 -3.545 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.166 -2.920 -2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.854 -5.312 -3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.148 -5.716 -3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.075 -3.332 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.340 -4.941 -5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.114 -3.580 -5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.145 -5.277 -5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.661 -4.383 -4.532 1.00 0.00 H new ATOM 1212 N ALA A 84 5.725 -2.887 -0.505 1.00 0.00 N ATOM 1213 CA ALA A 84 6.934 -2.231 -0.988 1.00 0.00 C ATOM 1214 C ALA A 84 7.404 -2.846 -2.302 1.00 0.00 C ATOM 1215 O ALA A 84 7.186 -4.030 -2.558 1.00 0.00 O ATOM 1216 CB ALA A 84 8.034 -2.314 0.060 1.00 0.00 C ATOM 0 H ALA A 84 5.883 -3.797 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 84 6.701 -1.182 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 84 8.931 -1.820 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 84 7.703 -1.822 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.257 -3.360 0.271 1.00 0.00 H new ATOM 1222 N PHE A 85 8.050 -2.033 -3.132 1.00 0.00 N ATOM 1223 CA PHE A 85 8.550 -2.497 -4.421 1.00 0.00 C ATOM 1224 C PHE A 85 9.847 -1.784 -4.790 1.00 0.00 C ATOM 1225 O PHE A 85 9.997 -0.585 -4.557 1.00 0.00 O ATOM 1226 CB PHE A 85 7.501 -2.269 -5.511 1.00 0.00 C ATOM 1227 CG PHE A 85 7.620 -0.932 -6.187 1.00 0.00 C ATOM 1228 CD1 PHE A 85 8.566 -0.724 -7.177 1.00 0.00 C ATOM 1229 CD2 PHE A 85 6.786 0.115 -5.830 1.00 0.00 C ATOM 1230 CE1 PHE A 85 8.677 0.504 -7.801 1.00 0.00 C ATOM 1231 CE2 PHE A 85 6.893 1.346 -6.451 1.00 0.00 C ATOM 1232 CZ PHE A 85 7.841 1.541 -7.437 1.00 0.00 C ATOM 0 H PHE A 85 8.239 -1.050 -2.935 1.00 0.00 H new ATOM 0 HA PHE A 85 8.754 -3.565 -4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.590 -3.055 -6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.507 -2.358 -5.072 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.224 -1.531 -7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.044 -0.032 -5.059 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.417 0.653 -8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.236 2.154 -6.165 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.928 2.502 -7.922 1.00 0.00 H new ATOM 1242 N ASN A 86 10.782 -2.531 -5.368 1.00 0.00 N ATOM 1243 CA ASN A 86 12.068 -1.971 -5.769 1.00 0.00 C ATOM 1244 C ASN A 86 12.715 -2.819 -6.860 1.00 0.00 C ATOM 1245 O ASN A 86 12.146 -3.816 -7.306 1.00 0.00 O ATOM 1246 CB ASN A 86 13.004 -1.873 -4.562 1.00 0.00 C ATOM 1247 CG ASN A 86 13.405 -3.235 -4.030 1.00 0.00 C ATOM 1248 OD1 ASN A 86 13.246 -4.250 -4.707 1.00 0.00 O ATOM 1249 ND2 ASN A 86 13.929 -3.262 -2.809 1.00 0.00 N ATOM 0 H ASN A 86 10.674 -3.525 -5.569 1.00 0.00 H new ATOM 0 HA ASN A 86 11.892 -0.972 -6.167 1.00 0.00 H new ATOM 0 HB2 ASN A 86 13.899 -1.318 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.514 -1.307 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.218 -4.149 -2.397 1.00 0.00 H new ATOM 0 HD22 ASN A 86 14.042 -2.395 -2.283 1.00 0.00 H new ATOM 1256 N LYS A 87 13.907 -2.417 -7.285 1.00 0.00 N ATOM 1257 CA LYS A 87 14.634 -3.139 -8.323 1.00 0.00 C ATOM 1258 C LYS A 87 14.379 -4.640 -8.220 1.00 0.00 C ATOM 1259 O LYS A 87 14.146 -5.311 -9.226 1.00 0.00 O ATOM 1260 CB LYS A 87 16.134 -2.857 -8.215 1.00 0.00 C ATOM 1261 CG LYS A 87 16.521 -1.454 -8.650 1.00 0.00 C ATOM 1262 CD LYS A 87 16.308 -1.254 -10.141 1.00 0.00 C ATOM 1263 CE LYS A 87 16.799 0.112 -10.595 1.00 0.00 C ATOM 1264 NZ LYS A 87 18.234 0.081 -10.993 1.00 0.00 N ATOM 0 H LYS A 87 14.391 -1.594 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 87 14.275 -2.792 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.451 -3.009 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.676 -3.580 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.930 -0.724 -8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.567 -1.271 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 87 16.834 -2.033 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.249 -1.358 -10.376 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.196 0.454 -11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.661 0.834 -9.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.531 1.031 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.812 -0.221 -10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.362 -0.589 -11.778 1.00 0.00 H new ATOM 1278 N THR A 88 14.425 -5.161 -6.998 1.00 0.00 N ATOM 1279 CA THR A 88 14.199 -6.582 -6.764 1.00 0.00 C ATOM 1280 C THR A 88 12.893 -7.043 -7.401 1.00 0.00 C ATOM 1281 O THR A 88 12.892 -7.887 -8.296 1.00 0.00 O ATOM 1282 CB THR A 88 14.166 -6.905 -5.259 1.00 0.00 C ATOM 1283 OG1 THR A 88 15.264 -6.269 -4.596 1.00 0.00 O ATOM 1284 CG2 THR A 88 14.228 -8.407 -5.026 1.00 0.00 C ATOM 0 H THR A 88 14.617 -4.620 -6.155 1.00 0.00 H new ATOM 0 HA THR A 88 15.032 -7.115 -7.224 1.00 0.00 H new ATOM 0 HB THR A 88 13.228 -6.528 -4.850 1.00 0.00 H new ATOM 0 HG1 THR A 88 15.837 -6.950 -4.186 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.203 -8.610 -3.955 1.00 0.00 H new ATOM 0 HG22 THR A 88 13.374 -8.885 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 88 15.151 -8.803 -5.449 1.00 0.00 H new ATOM 1292 N GLY A 89 11.782 -6.483 -6.932 1.00 0.00 N ATOM 1293 CA GLY A 89 10.484 -6.850 -7.468 1.00 0.00 C ATOM 1294 C GLY A 89 9.340 -6.211 -6.706 1.00 0.00 C ATOM 1295 O GLY A 89 9.064 -5.022 -6.867 1.00 0.00 O ATOM 0 H GLY A 89 11.758 -5.782 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.430 -6.553 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.375 -7.934 -7.438 1.00 0.00 H new ATOM 1299 N VAL A 90 8.671 -7.003 -5.873 1.00 0.00 N ATOM 1300 CA VAL A 90 7.551 -6.508 -5.082 1.00 0.00 C ATOM 1301 C VAL A 90 7.359 -7.339 -3.819 1.00 0.00 C ATOM 1302 O VAL A 90 7.712 -8.518 -3.780 1.00 0.00 O ATOM 1303 CB VAL A 90 6.242 -6.520 -5.895 1.00 0.00 C ATOM 1304 CG1 VAL A 90 6.036 -5.187 -6.597 1.00 0.00 C ATOM 1305 CG2 VAL A 90 6.249 -7.664 -6.897 1.00 0.00 C ATOM 0 H VAL A 90 8.886 -7.990 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 90 7.789 -5.481 -4.804 1.00 0.00 H new ATOM 0 HB VAL A 90 5.410 -6.673 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 90 5.107 -5.215 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.984 -4.390 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.870 -4.999 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.317 -7.658 -7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.089 -7.544 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.345 -8.611 -6.367 1.00 0.00 H new ATOM 1315 N SER A 91 6.799 -6.717 -2.787 1.00 0.00 N ATOM 1316 CA SER A 91 6.563 -7.398 -1.519 1.00 0.00 C ATOM 1317 C SER A 91 5.085 -7.735 -1.350 1.00 0.00 C ATOM 1318 O SER A 91 4.214 -7.172 -2.013 1.00 0.00 O ATOM 1319 CB SER A 91 7.037 -6.529 -0.353 1.00 0.00 C ATOM 1320 OG SER A 91 8.390 -6.801 -0.031 1.00 0.00 O ATOM 0 H SER A 91 6.500 -5.742 -2.804 1.00 0.00 H new ATOM 0 HA SER A 91 7.131 -8.328 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.926 -5.476 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.409 -6.711 0.519 1.00 0.00 H new ATOM 0 HG SER A 91 8.629 -6.335 0.797 1.00 0.00 H new ATOM 1326 N PRO A 92 4.794 -8.677 -0.440 1.00 0.00 N ATOM 1327 CA PRO A 92 3.422 -9.111 -0.161 1.00 0.00 C ATOM 1328 C PRO A 92 2.607 -8.035 0.548 1.00 0.00 C ATOM 1329 O PRO A 92 3.141 -7.259 1.340 1.00 0.00 O ATOM 1330 CB PRO A 92 3.612 -10.325 0.751 1.00 0.00 C ATOM 1331 CG PRO A 92 4.935 -10.107 1.401 1.00 0.00 C ATOM 1332 CD PRO A 92 5.782 -9.390 0.386 1.00 0.00 C ATOM 0 HA PRO A 92 2.870 -9.330 -1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.814 -10.393 1.490 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.599 -11.254 0.181 1.00 0.00 H new ATOM 0 HG2 PRO A 92 4.830 -9.515 2.310 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.389 -11.055 1.689 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.481 -8.701 0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.374 -10.087 -0.207 1.00 0.00 H new ATOM 1340 N TYR A 93 1.311 -7.994 0.258 1.00 0.00 N ATOM 1341 CA TYR A 93 0.422 -7.011 0.867 1.00 0.00 C ATOM 1342 C TYR A 93 0.412 -7.153 2.386 1.00 0.00 C ATOM 1343 O TYR A 93 0.482 -8.261 2.918 1.00 0.00 O ATOM 1344 CB TYR A 93 -0.998 -7.169 0.320 1.00 0.00 C ATOM 1345 CG TYR A 93 -1.143 -6.735 -1.122 1.00 0.00 C ATOM 1346 CD1 TYR A 93 -0.836 -5.437 -1.511 1.00 0.00 C ATOM 1347 CD2 TYR A 93 -1.587 -7.623 -2.094 1.00 0.00 C ATOM 1348 CE1 TYR A 93 -0.968 -5.036 -2.826 1.00 0.00 C ATOM 1349 CE2 TYR A 93 -1.720 -7.231 -3.411 1.00 0.00 C ATOM 1350 CZ TYR A 93 -1.409 -5.936 -3.773 1.00 0.00 C ATOM 1351 OH TYR A 93 -1.542 -5.542 -5.084 1.00 0.00 O ATOM 0 H TYR A 93 0.853 -8.630 -0.395 1.00 0.00 H new ATOM 0 HA TYR A 93 0.793 -6.018 0.615 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.298 -8.213 0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.683 -6.587 0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.488 -4.730 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.832 -8.637 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -0.727 -4.023 -3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.066 -7.934 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.440 -5.768 -5.404 1.00 0.00 H new ATOM 1361 N SER A 94 0.324 -6.022 3.078 1.00 0.00 N ATOM 1362 CA SER A 94 0.308 -6.018 4.537 1.00 0.00 C ATOM 1363 C SER A 94 -1.050 -6.466 5.066 1.00 0.00 C ATOM 1364 O SER A 94 -2.061 -6.379 4.369 1.00 0.00 O ATOM 1365 CB SER A 94 0.640 -4.621 5.067 1.00 0.00 C ATOM 1366 OG SER A 94 0.097 -4.426 6.361 1.00 0.00 O ATOM 0 H SER A 94 0.263 -5.097 2.653 1.00 0.00 H new ATOM 0 HA SER A 94 1.064 -6.721 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.721 -4.488 5.099 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.246 -3.867 4.386 1.00 0.00 H new ATOM 0 HG SER A 94 0.568 -3.691 6.806 1.00 0.00 H new ATOM 1372 N LYS A 95 -1.066 -6.946 6.305 1.00 0.00 N ATOM 1373 CA LYS A 95 -2.299 -7.407 6.932 1.00 0.00 C ATOM 1374 C LYS A 95 -3.484 -6.548 6.500 1.00 0.00 C ATOM 1375 O LYS A 95 -3.652 -5.422 6.971 1.00 0.00 O ATOM 1376 CB LYS A 95 -2.163 -7.378 8.456 1.00 0.00 C ATOM 1377 CG LYS A 95 -3.241 -8.168 9.178 1.00 0.00 C ATOM 1378 CD LYS A 95 -2.899 -9.647 9.243 1.00 0.00 C ATOM 1379 CE LYS A 95 -1.995 -9.958 10.426 1.00 0.00 C ATOM 1380 NZ LYS A 95 -2.761 -10.051 11.700 1.00 0.00 N ATOM 0 H LYS A 95 -0.238 -7.026 6.895 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.479 -8.432 6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.186 -7.775 8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.194 -6.343 8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.365 -7.777 10.188 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.194 -8.036 8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.816 -10.231 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.407 -9.949 8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -1.473 -10.898 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.234 -9.183 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.109 -10.264 12.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.239 -9.146 11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.470 -10.808 11.624 1.00 0.00 H new ATOM 1394 N THR A 96 -4.304 -7.086 5.603 1.00 0.00 N ATOM 1395 CA THR A 96 -5.472 -6.369 5.109 1.00 0.00 C ATOM 1396 C THR A 96 -6.089 -5.503 6.201 1.00 0.00 C ATOM 1397 O THR A 96 -6.593 -6.014 7.202 1.00 0.00 O ATOM 1398 CB THR A 96 -6.542 -7.339 4.573 1.00 0.00 C ATOM 1399 OG1 THR A 96 -5.934 -8.320 3.725 1.00 0.00 O ATOM 1400 CG2 THR A 96 -7.616 -6.589 3.801 1.00 0.00 C ATOM 0 H THR A 96 -4.180 -8.016 5.204 1.00 0.00 H new ATOM 0 HA THR A 96 -5.129 -5.731 4.294 1.00 0.00 H new ATOM 0 HB THR A 96 -7.009 -7.835 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.621 -8.934 3.390 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.360 -7.296 3.433 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.098 -5.865 4.458 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.162 -6.068 2.958 1.00 0.00 H new ATOM 1408 N LEU A 97 -6.047 -4.190 6.003 1.00 0.00 N ATOM 1409 CA LEU A 97 -6.603 -3.252 6.972 1.00 0.00 C ATOM 1410 C LEU A 97 -8.034 -2.875 6.606 1.00 0.00 C ATOM 1411 O LEU A 97 -8.308 -2.454 5.482 1.00 0.00 O ATOM 1412 CB LEU A 97 -5.736 -1.994 7.049 1.00 0.00 C ATOM 1413 CG LEU A 97 -6.364 -0.787 7.746 1.00 0.00 C ATOM 1414 CD1 LEU A 97 -6.060 -0.813 9.236 1.00 0.00 C ATOM 1415 CD2 LEU A 97 -5.868 0.508 7.121 1.00 0.00 C ATOM 0 H LEU A 97 -5.634 -3.751 5.180 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.613 -3.739 7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.811 -2.246 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.464 -1.702 6.035 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.445 -0.839 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.515 0.054 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.466 -1.725 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.981 -0.787 9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.326 1.356 7.630 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.784 0.568 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.138 0.529 6.065 1.00 0.00 H new ATOM 1427 N VAL A 98 -8.945 -3.028 7.562 1.00 0.00 N ATOM 1428 CA VAL A 98 -10.348 -2.700 7.342 1.00 0.00 C ATOM 1429 C VAL A 98 -10.639 -1.250 7.712 1.00 0.00 C ATOM 1430 O VAL A 98 -10.046 -0.705 8.644 1.00 0.00 O ATOM 1431 CB VAL A 98 -11.274 -3.623 8.157 1.00 0.00 C ATOM 1432 CG1 VAL A 98 -12.731 -3.242 7.941 1.00 0.00 C ATOM 1433 CG2 VAL A 98 -11.035 -5.079 7.787 1.00 0.00 C ATOM 0 H VAL A 98 -8.736 -3.377 8.497 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.544 -2.846 6.280 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.043 -3.498 9.215 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.371 -3.904 8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -12.889 -2.212 8.260 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -12.979 -3.337 6.884 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.698 -5.717 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.237 -5.223 6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.999 -5.343 7.998 1.00 0.00 H new ATOM 1443 N LEU A 99 -11.556 -0.631 6.977 1.00 0.00 N ATOM 1444 CA LEU A 99 -11.927 0.758 7.228 1.00 0.00 C ATOM 1445 C LEU A 99 -13.442 0.929 7.204 1.00 0.00 C ATOM 1446 O LEU A 99 -14.047 1.034 6.138 1.00 0.00 O ATOM 1447 CB LEU A 99 -11.282 1.675 6.187 1.00 0.00 C ATOM 1448 CG LEU A 99 -9.939 1.211 5.624 1.00 0.00 C ATOM 1449 CD1 LEU A 99 -9.741 1.739 4.212 1.00 0.00 C ATOM 1450 CD2 LEU A 99 -8.798 1.659 6.527 1.00 0.00 C ATOM 0 H LEU A 99 -12.056 -1.068 6.203 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.564 1.032 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -11.979 1.796 5.357 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -11.145 2.659 6.634 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.940 0.122 5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.780 1.398 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -10.540 1.369 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -9.761 2.829 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.850 1.320 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.795 2.747 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.931 1.232 7.521 1.00 0.00 H new ATOM 1462 N GLN A 100 -14.048 0.958 8.387 1.00 0.00 N ATOM 1463 CA GLN A 100 -15.493 1.118 8.501 1.00 0.00 C ATOM 1464 C GLN A 100 -15.902 2.565 8.246 1.00 0.00 C ATOM 1465 O GLN A 100 -16.161 3.323 9.181 1.00 0.00 O ATOM 1466 CB GLN A 100 -15.968 0.678 9.887 1.00 0.00 C ATOM 1467 CG GLN A 100 -16.333 -0.795 9.966 1.00 0.00 C ATOM 1468 CD GLN A 100 -15.151 -1.671 10.332 1.00 0.00 C ATOM 1469 OE1 GLN A 100 -15.093 -2.862 9.748 1.00 0.00 O flip ATOM 1470 NE2 GLN A 100 -14.299 -1.281 11.130 1.00 0.00 N flip ATOM 0 H GLN A 100 -13.561 0.873 9.279 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.964 0.488 7.746 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.184 0.889 10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -16.835 1.274 10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.123 -0.930 10.705 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.736 -1.117 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.383 -0.358 11.555 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.509 -1.881 11.366 1.00 0.00 H new ATOM 1479 N THR A 101 -15.958 2.943 6.972 1.00 0.00 N ATOM 1480 CA THR A 101 -16.334 4.299 6.594 1.00 0.00 C ATOM 1481 C THR A 101 -17.430 4.841 7.504 1.00 0.00 C ATOM 1482 O THR A 101 -18.204 4.077 8.081 1.00 0.00 O ATOM 1483 CB THR A 101 -16.819 4.361 5.133 1.00 0.00 C ATOM 1484 OG1 THR A 101 -17.908 3.451 4.940 1.00 0.00 O ATOM 1485 CG2 THR A 101 -15.690 4.019 4.173 1.00 0.00 C ATOM 0 H THR A 101 -15.748 2.329 6.185 1.00 0.00 H new ATOM 0 HA THR A 101 -15.441 4.915 6.700 1.00 0.00 H new ATOM 0 HB THR A 101 -17.154 5.378 4.927 1.00 0.00 H new ATOM 0 HG1 THR A 101 -18.212 3.497 4.009 1.00 0.00 H new ATOM 0 HG21 THR A 101 -16.056 4.069 3.148 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.874 4.730 4.302 1.00 0.00 H new ATOM 0 HG23 THR A 101 -15.329 3.012 4.380 1.00 0.00 H new ATOM 1493 N SER A 102 -17.490 6.163 7.629 1.00 0.00 N ATOM 1494 CA SER A 102 -18.491 6.806 8.472 1.00 0.00 C ATOM 1495 C SER A 102 -19.796 7.010 7.709 1.00 0.00 C ATOM 1496 O SER A 102 -19.828 6.925 6.482 1.00 0.00 O ATOM 1497 CB SER A 102 -17.969 8.151 8.982 1.00 0.00 C ATOM 1498 OG SER A 102 -18.522 8.465 10.249 1.00 0.00 O ATOM 0 H SER A 102 -16.857 6.809 7.157 1.00 0.00 H new ATOM 0 HA SER A 102 -18.687 6.153 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.882 8.119 9.054 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.218 8.936 8.268 1.00 0.00 H new ATOM 0 HG SER A 102 -18.172 9.328 10.554 1.00 0.00 H new ATOM 1504 N GLU A 103 -20.869 7.280 8.445 1.00 0.00 N ATOM 1505 CA GLU A 103 -22.177 7.496 7.837 1.00 0.00 C ATOM 1506 C GLU A 103 -22.100 8.557 6.743 1.00 0.00 C ATOM 1507 O GLU A 103 -21.371 9.539 6.866 1.00 0.00 O ATOM 1508 CB GLU A 103 -23.195 7.916 8.900 1.00 0.00 C ATOM 1509 CG GLU A 103 -22.848 9.223 9.591 1.00 0.00 C ATOM 1510 CD GLU A 103 -23.818 9.569 10.705 1.00 0.00 C ATOM 1511 OE1 GLU A 103 -25.028 9.689 10.421 1.00 0.00 O ATOM 1512 OE2 GLU A 103 -23.367 9.720 11.859 1.00 0.00 O ATOM 0 H GLU A 103 -20.859 7.354 9.462 1.00 0.00 H new ATOM 0 HA GLU A 103 -22.499 6.557 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -24.176 8.010 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -23.272 7.128 9.649 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.840 9.157 10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -22.842 10.028 8.856 1.00 0.00 H new ATOM 1519 N GLY A 104 -22.860 8.349 5.672 1.00 0.00 N ATOM 1520 CA GLY A 104 -22.864 9.295 4.571 1.00 0.00 C ATOM 1521 C GLY A 104 -23.600 10.576 4.909 1.00 0.00 C ATOM 1522 O GLY A 104 -24.567 10.561 5.671 1.00 0.00 O ATOM 0 H GLY A 104 -23.473 7.543 5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -21.836 9.532 4.296 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -23.328 8.832 3.700 1.00 0.00 H new ATOM 1526 N SER A 105 -23.143 11.687 4.342 1.00 0.00 N ATOM 1527 CA SER A 105 -23.762 12.984 4.592 1.00 0.00 C ATOM 1528 C SER A 105 -24.004 13.191 6.084 1.00 0.00 C ATOM 1529 O SER A 105 -25.066 13.658 6.493 1.00 0.00 O ATOM 1530 CB SER A 105 -25.083 13.097 3.829 1.00 0.00 C ATOM 1531 OG SER A 105 -25.496 14.449 3.721 1.00 0.00 O ATOM 0 H SER A 105 -22.346 11.716 3.706 1.00 0.00 H new ATOM 0 HA SER A 105 -23.080 13.759 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 105 -24.969 12.668 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 105 -25.852 12.518 4.340 1.00 0.00 H new ATOM 0 HG SER A 105 -25.570 14.841 4.616 1.00 0.00 H new ATOM 1537 N GLY A 106 -23.009 12.840 6.893 1.00 0.00 N ATOM 1538 CA GLY A 106 -23.131 12.995 8.330 1.00 0.00 C ATOM 1539 C GLY A 106 -22.799 14.400 8.793 1.00 0.00 C ATOM 1540 O GLY A 106 -21.941 15.076 8.226 1.00 0.00 O ATOM 0 H GLY A 106 -22.120 12.451 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -24.148 12.747 8.634 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -22.468 12.286 8.826 1.00 0.00 H new ATOM 1544 N PRO A 107 -23.490 14.860 9.846 1.00 0.00 N ATOM 1545 CA PRO A 107 -23.282 16.198 10.407 1.00 0.00 C ATOM 1546 C PRO A 107 -21.935 16.329 11.110 1.00 0.00 C ATOM 1547 O PRO A 107 -21.752 15.827 12.219 1.00 0.00 O ATOM 1548 CB PRO A 107 -24.427 16.343 11.413 1.00 0.00 C ATOM 1549 CG PRO A 107 -24.774 14.946 11.796 1.00 0.00 C ATOM 1550 CD PRO A 107 -24.529 14.108 10.571 1.00 0.00 C ATOM 0 HA PRO A 107 -23.275 16.967 9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -24.120 16.927 12.281 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -25.281 16.856 10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -24.160 14.606 12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -25.814 14.876 12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -24.191 13.105 10.831 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -25.434 13.995 9.974 1.00 0.00 H new ATOM 1558 N SER A 108 -20.996 17.006 10.458 1.00 0.00 N ATOM 1559 CA SER A 108 -19.664 17.200 11.019 1.00 0.00 C ATOM 1560 C SER A 108 -19.748 17.655 12.473 1.00 0.00 C ATOM 1561 O SER A 108 -19.076 17.108 13.346 1.00 0.00 O ATOM 1562 CB SER A 108 -18.885 18.227 10.195 1.00 0.00 C ATOM 1563 OG SER A 108 -17.580 18.414 10.716 1.00 0.00 O ATOM 0 H SER A 108 -21.133 17.430 9.540 1.00 0.00 H new ATOM 0 HA SER A 108 -19.140 16.245 10.985 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.822 17.895 9.159 1.00 0.00 H new ATOM 0 HB3 SER A 108 -19.419 19.177 10.193 1.00 0.00 H new ATOM 0 HG SER A 108 -17.102 19.074 10.171 1.00 0.00 H new ATOM 1569 N SER A 109 -20.580 18.662 12.724 1.00 0.00 N ATOM 1570 CA SER A 109 -20.751 19.194 14.070 1.00 0.00 C ATOM 1571 C SER A 109 -21.651 18.287 14.904 1.00 0.00 C ATOM 1572 O SER A 109 -22.746 17.921 14.479 1.00 0.00 O ATOM 1573 CB SER A 109 -21.341 20.604 14.013 1.00 0.00 C ATOM 1574 OG SER A 109 -20.935 21.374 15.131 1.00 0.00 O ATOM 0 H SER A 109 -21.145 19.125 12.012 1.00 0.00 H new ATOM 0 HA SER A 109 -19.770 19.237 14.543 1.00 0.00 H new ATOM 0 HB2 SER A 109 -21.024 21.097 13.094 1.00 0.00 H new ATOM 0 HB3 SER A 109 -22.429 20.545 13.984 1.00 0.00 H new ATOM 0 HG SER A 109 -21.324 22.271 15.069 1.00 0.00 H new ATOM 1580 N GLY A 110 -21.180 17.928 16.094 1.00 0.00 N ATOM 1581 CA GLY A 110 -21.954 17.067 16.969 1.00 0.00 C ATOM 1582 C GLY A 110 -23.388 17.533 17.121 1.00 0.00 C ATOM 1583 O GLY A 110 -23.672 18.728 17.036 1.00 0.00 O ATOM 0 H GLY A 110 -20.276 18.218 16.468 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.945 16.051 16.574 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.481 17.032 17.950 1.00 0.00 H new TER 1587 GLY A 110