USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 916 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -153:sc= -0.0326 (180deg=-0.357) USER MOD Single : A 5 LYS NZ :NH3+ -147:sc= 0.165 (180deg=0.00279) USER MOD Single : A 6 ASN : amide:sc= -0.166 K(o=-0.17,f=-1.3) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.22) USER MOD Single : A 14 HIS : no HD1:sc= -0.598 X(o=-0.6,f=-0.95) USER MOD Single : A 20 THR OG1 : rot 33:sc= 0.228 USER MOD Single : A 22 ASN : amide:sc= -0.184 K(o=-0.18,f=-2.3) USER MOD Single : A 23 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.13) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= 0.996 (180deg=0.589) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -23:sc= -1.44 USER MOD Single : A 50 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.038) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0953 USER MOD Single : A 57 HIS : no HE2:sc= -1.89 K(o=-1.9,f=-4.4!) USER MOD Single : A 59 GLN : amide:sc= -3.31 X(o=-3.3,f=-3.4) USER MOD Single : A 63 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.17 K(o=-1.2,f=-3.5) USER MOD Single : A 69 THR OG1 : rot -140:sc= -0.426 USER MOD Single : A 71 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.0042) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= -0.0248 (180deg=-0.224) USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.38 (180deg=-0.534) USER MOD Single : A 76 TYR OH : rot 130:sc= -0.231 USER MOD Single : A 81 CYS SG : rot 180:sc= -0.721 USER MOD Single : A 82 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.22) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0658 USER MOD Single : A 91 GLN :FLIP amide:sc= -0.25 F(o=-0.87,f=-0.25) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 93 ASN : amide:sc= -1.92 K(o=-1.9,f=-2.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 72:sc= 0.159 USER MOD Single : A 98 SER OG : rot -42:sc= 0.685 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -2.1 X(o=-2.1,f=-1.8!) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.44 (180deg=-2.36) USER MOD Single : A 107 CYS SG : rot 28:sc= 0.307 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.078) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 43.976 -5.724 12.557 1.00 63.55 N ATOM 2 CA PRO A 2 43.167 -4.810 11.745 1.00 21.22 C ATOM 3 C PRO A 2 41.720 -4.739 12.221 1.00 61.41 C ATOM 4 O PRO A 2 40.903 -5.595 11.882 1.00 32.33 O ATOM 5 CB PRO A 2 43.240 -5.421 10.344 1.00 51.05 C ATOM 6 CG PRO A 2 43.509 -6.868 10.574 1.00 11.03 C ATOM 7 CD PRO A 2 44.355 -6.939 11.815 1.00 22.12 C ATOM 0 HA PRO A 2 43.534 -3.785 11.797 1.00 21.22 H new ATOM 0 HB2 PRO A 2 42.308 -5.274 9.799 1.00 51.05 H new ATOM 0 HB3 PRO A 2 44.031 -4.961 9.752 1.00 51.05 H new ATOM 0 HG2 PRO A 2 42.579 -7.422 10.703 1.00 11.03 H new ATOM 0 HG3 PRO A 2 44.027 -7.309 9.722 1.00 11.03 H new ATOM 0 HD2 PRO A 2 44.149 -7.842 12.390 1.00 22.12 H new ATOM 0 HD3 PRO A 2 45.418 -6.949 11.576 1.00 22.12 H new ATOM 15 N SER A 3 41.410 -3.714 13.007 1.00 10.42 N ATOM 16 CA SER A 3 40.062 -3.533 13.532 1.00 35.11 C ATOM 17 C SER A 3 39.207 -2.718 12.566 1.00 2.33 C ATOM 18 O SER A 3 39.674 -1.744 11.976 1.00 43.34 O ATOM 19 CB SER A 3 40.111 -2.842 14.896 1.00 53.51 C ATOM 20 OG SER A 3 39.244 -3.475 15.821 1.00 60.43 O ATOM 0 H SER A 3 42.074 -2.996 13.295 1.00 10.42 H new ATOM 0 HA SER A 3 39.609 -4.518 13.648 1.00 35.11 H new ATOM 0 HB2 SER A 3 41.131 -2.859 15.279 1.00 53.51 H new ATOM 0 HB3 SER A 3 39.829 -1.795 14.787 1.00 53.51 H new ATOM 0 HG SER A 3 39.295 -3.015 16.685 1.00 60.43 H new ATOM 26 N LYS A 4 37.951 -3.123 12.410 1.00 25.03 N ATOM 27 CA LYS A 4 37.029 -2.431 11.518 1.00 71.41 C ATOM 28 C LYS A 4 35.581 -2.733 11.892 1.00 42.31 C ATOM 29 O LYS A 4 35.303 -3.685 12.621 1.00 75.24 O ATOM 30 CB LYS A 4 37.288 -2.841 10.066 1.00 34.22 C ATOM 31 CG LYS A 4 36.861 -4.265 9.751 1.00 44.51 C ATOM 32 CD LYS A 4 37.804 -4.922 8.757 1.00 40.55 C ATOM 33 CE LYS A 4 37.057 -5.431 7.533 1.00 2.33 C ATOM 34 NZ LYS A 4 35.994 -6.408 7.899 1.00 4.51 N ATOM 0 H LYS A 4 37.548 -3.928 12.890 1.00 25.03 H new ATOM 0 HA LYS A 4 37.197 -1.359 11.622 1.00 71.41 H new ATOM 0 HB2 LYS A 4 36.758 -2.157 9.404 1.00 34.22 H new ATOM 0 HB3 LYS A 4 38.351 -2.733 9.851 1.00 34.22 H new ATOM 0 HG2 LYS A 4 36.835 -4.850 10.670 1.00 44.51 H new ATOM 0 HG3 LYS A 4 35.849 -4.261 9.346 1.00 44.51 H new ATOM 0 HD2 LYS A 4 38.565 -4.206 8.448 1.00 40.55 H new ATOM 0 HD3 LYS A 4 38.323 -5.751 9.239 1.00 40.55 H new ATOM 0 HE2 LYS A 4 36.610 -4.589 7.004 1.00 2.33 H new ATOM 0 HE3 LYS A 4 37.762 -5.901 6.847 1.00 2.33 H new ATOM 0 HZ1 LYS A 4 35.827 -7.054 7.101 1.00 4.51 H new ATOM 0 HZ2 LYS A 4 36.297 -6.955 8.730 1.00 4.51 H new ATOM 0 HZ3 LYS A 4 35.115 -5.898 8.122 1.00 4.51 H new ATOM 48 N LYS A 5 34.662 -1.916 11.388 1.00 44.03 N ATOM 49 CA LYS A 5 33.243 -2.096 11.666 1.00 15.01 C ATOM 50 C LYS A 5 32.452 -2.268 10.373 1.00 40.41 C ATOM 51 O LYS A 5 32.828 -1.736 9.329 1.00 3.34 O ATOM 52 CB LYS A 5 32.700 -0.901 12.453 1.00 44.51 C ATOM 53 CG LYS A 5 32.244 -1.253 13.858 1.00 63.40 C ATOM 54 CD LYS A 5 33.386 -1.154 14.856 1.00 34.12 C ATOM 55 CE LYS A 5 33.314 -2.261 15.897 1.00 71.23 C ATOM 56 NZ LYS A 5 34.343 -3.311 15.661 1.00 62.31 N ATOM 0 H LYS A 5 34.876 -1.122 10.784 1.00 44.03 H new ATOM 0 HA LYS A 5 33.128 -3.000 12.264 1.00 15.01 H new ATOM 0 HB2 LYS A 5 33.473 -0.135 12.512 1.00 44.51 H new ATOM 0 HB3 LYS A 5 31.863 -0.467 11.906 1.00 44.51 H new ATOM 0 HG2 LYS A 5 31.438 -0.584 14.158 1.00 63.40 H new ATOM 0 HG3 LYS A 5 31.838 -2.265 13.867 1.00 63.40 H new ATOM 0 HD2 LYS A 5 34.338 -1.211 14.328 1.00 34.12 H new ATOM 0 HD3 LYS A 5 33.354 -0.184 15.352 1.00 34.12 H new ATOM 0 HE2 LYS A 5 33.451 -1.835 16.891 1.00 71.23 H new ATOM 0 HE3 LYS A 5 32.322 -2.713 15.878 1.00 71.23 H new ATOM 0 HZ1 LYS A 5 33.969 -4.236 15.956 1.00 62.31 H new ATOM 0 HZ2 LYS A 5 34.583 -3.341 14.649 1.00 62.31 H new ATOM 0 HZ3 LYS A 5 35.197 -3.091 16.213 1.00 62.31 H new ATOM 70 N ASN A 6 31.354 -3.013 10.450 1.00 0.52 N ATOM 71 CA ASN A 6 30.510 -3.253 9.285 1.00 10.04 C ATOM 72 C ASN A 6 29.078 -3.568 9.707 1.00 11.30 C ATOM 73 O ASN A 6 28.746 -3.530 10.891 1.00 54.31 O ATOM 74 CB ASN A 6 31.073 -4.405 8.451 1.00 32.40 C ATOM 75 CG ASN A 6 31.217 -5.684 9.254 1.00 52.13 C ATOM 76 OD1 ASN A 6 31.961 -5.735 10.233 1.00 43.31 O ATOM 77 ND2 ASN A 6 30.503 -6.725 8.841 1.00 10.12 N ATOM 0 H ASN A 6 31.028 -3.461 11.307 1.00 0.52 H new ATOM 0 HA ASN A 6 30.501 -2.346 8.680 1.00 10.04 H new ATOM 0 HB2 ASN A 6 30.419 -4.586 7.598 1.00 32.40 H new ATOM 0 HB3 ASN A 6 32.046 -4.119 8.051 1.00 32.40 H new ATOM 0 HD21 ASN A 6 30.559 -7.612 9.341 1.00 10.12 H new ATOM 0 HD22 ASN A 6 29.899 -6.637 8.024 1.00 10.12 H new ATOM 84 N GLY A 7 28.233 -3.879 8.728 1.00 24.34 N ATOM 85 CA GLY A 7 26.847 -4.197 9.018 1.00 41.42 C ATOM 86 C GLY A 7 26.338 -5.368 8.201 1.00 12.41 C ATOM 87 O GLY A 7 27.118 -6.214 7.764 1.00 74.01 O ATOM 0 H GLY A 7 28.484 -3.916 7.740 1.00 24.34 H new ATOM 0 HA2 GLY A 7 26.744 -4.426 10.079 1.00 41.42 H new ATOM 0 HA3 GLY A 7 26.227 -3.323 8.819 1.00 41.42 H new ATOM 91 N ARG A 8 25.026 -5.418 7.996 1.00 14.12 N ATOM 92 CA ARG A 8 24.413 -6.496 7.229 1.00 11.32 C ATOM 93 C ARG A 8 23.356 -5.950 6.273 1.00 44.01 C ATOM 94 O ARG A 8 22.715 -4.938 6.553 1.00 13.42 O ATOM 95 CB ARG A 8 23.782 -7.525 8.169 1.00 4.22 C ATOM 96 CG ARG A 8 24.035 -8.965 7.754 1.00 42.25 C ATOM 97 CD ARG A 8 22.740 -9.678 7.400 1.00 34.34 C ATOM 98 NE ARG A 8 22.977 -11.032 6.907 1.00 22.22 N ATOM 99 CZ ARG A 8 23.379 -11.304 5.670 1.00 14.04 C ATOM 100 NH1 ARG A 8 23.587 -10.320 4.806 1.00 35.32 N ATOM 101 NH2 ARG A 8 23.573 -12.562 5.296 1.00 24.02 N ATOM 0 H ARG A 8 24.367 -4.725 8.350 1.00 14.12 H new ATOM 0 HA ARG A 8 25.194 -6.980 6.643 1.00 11.32 H new ATOM 0 HB2 ARG A 8 24.172 -7.372 9.175 1.00 4.22 H new ATOM 0 HB3 ARG A 8 22.707 -7.352 8.214 1.00 4.22 H new ATOM 0 HG2 ARG A 8 24.709 -8.985 6.897 1.00 42.25 H new ATOM 0 HG3 ARG A 8 24.534 -9.496 8.564 1.00 42.25 H new ATOM 0 HD2 ARG A 8 22.097 -9.720 8.279 1.00 34.34 H new ATOM 0 HD3 ARG A 8 22.206 -9.105 6.642 1.00 34.34 H new ATOM 0 HE ARG A 8 22.826 -11.812 7.547 1.00 22.22 H new ATOM 0 HH11 ARG A 8 23.438 -9.352 5.090 1.00 35.32 H new ATOM 0 HH12 ARG A 8 23.896 -10.531 3.857 1.00 35.32 H new ATOM 0 HH21 ARG A 8 23.414 -13.321 5.958 1.00 24.02 H new ATOM 0 HH22 ARG A 8 23.882 -12.770 4.346 1.00 24.02 H new ATOM 115 N SER A 9 23.182 -6.628 5.143 1.00 51.42 N ATOM 116 CA SER A 9 22.207 -6.208 4.143 1.00 73.50 C ATOM 117 C SER A 9 20.848 -6.851 4.406 1.00 23.22 C ATOM 118 O SER A 9 20.631 -7.465 5.450 1.00 64.42 O ATOM 119 CB SER A 9 22.694 -6.575 2.740 1.00 73.13 C ATOM 120 OG SER A 9 22.467 -7.946 2.463 1.00 22.44 O ATOM 0 H SER A 9 23.703 -7.470 4.897 1.00 51.42 H new ATOM 0 HA SER A 9 22.097 -5.126 4.210 1.00 73.50 H new ATOM 0 HB2 SER A 9 22.179 -5.961 2.001 1.00 73.13 H new ATOM 0 HB3 SER A 9 23.758 -6.354 2.652 1.00 73.13 H new ATOM 0 HG SER A 9 22.785 -8.154 1.560 1.00 22.44 H new ATOM 126 N GLY A 10 19.936 -6.704 3.450 1.00 33.33 N ATOM 127 CA GLY A 10 18.610 -7.275 3.597 1.00 75.12 C ATOM 128 C GLY A 10 17.511 -6.273 3.301 1.00 62.23 C ATOM 129 O GLY A 10 17.760 -5.178 2.797 1.00 41.14 O ATOM 0 H GLY A 10 20.092 -6.200 2.577 1.00 33.33 H new ATOM 0 HA2 GLY A 10 18.509 -8.129 2.927 1.00 75.12 H new ATOM 0 HA3 GLY A 10 18.490 -7.651 4.613 1.00 75.12 H new ATOM 133 N PRO A 11 16.262 -6.648 3.616 1.00 45.20 N ATOM 134 CA PRO A 11 15.097 -5.788 3.388 1.00 31.42 C ATOM 135 C PRO A 11 15.075 -4.582 4.320 1.00 2.05 C ATOM 136 O PRO A 11 15.451 -4.682 5.488 1.00 63.31 O ATOM 137 CB PRO A 11 13.912 -6.712 3.682 1.00 63.43 C ATOM 138 CG PRO A 11 14.455 -7.740 4.614 1.00 10.31 C ATOM 139 CD PRO A 11 15.892 -7.939 4.220 1.00 43.14 C ATOM 0 HA PRO A 11 15.090 -5.369 2.382 1.00 31.42 H new ATOM 0 HB2 PRO A 11 13.086 -6.164 4.135 1.00 63.43 H new ATOM 0 HB3 PRO A 11 13.530 -7.168 2.769 1.00 63.43 H new ATOM 0 HG2 PRO A 11 14.377 -7.408 5.649 1.00 10.31 H new ATOM 0 HG3 PRO A 11 13.896 -8.672 4.535 1.00 10.31 H new ATOM 0 HD2 PRO A 11 16.516 -8.173 5.082 1.00 43.14 H new ATOM 0 HD3 PRO A 11 16.005 -8.761 3.513 1.00 43.14 H new ATOM 147 N GLN A 12 14.632 -3.443 3.797 1.00 24.40 N ATOM 148 CA GLN A 12 14.562 -2.218 4.584 1.00 43.21 C ATOM 149 C GLN A 12 13.189 -1.568 4.458 1.00 55.44 C ATOM 150 O GLN A 12 12.479 -1.745 3.467 1.00 63.30 O ATOM 151 CB GLN A 12 15.647 -1.237 4.136 1.00 1.42 C ATOM 152 CG GLN A 12 16.980 -1.901 3.832 1.00 3.22 C ATOM 153 CD GLN A 12 18.158 -1.127 4.390 1.00 5.10 C ATOM 154 OE1 GLN A 12 18.160 0.104 4.398 1.00 54.42 O ATOM 155 NE2 GLN A 12 19.170 -1.847 4.861 1.00 2.41 N ATOM 0 H GLN A 12 14.316 -3.343 2.832 1.00 24.40 H new ATOM 0 HA GLN A 12 14.726 -2.478 5.630 1.00 43.21 H new ATOM 0 HB2 GLN A 12 15.303 -0.709 3.247 1.00 1.42 H new ATOM 0 HB3 GLN A 12 15.793 -0.489 4.915 1.00 1.42 H new ATOM 0 HG2 GLN A 12 16.983 -2.909 4.247 1.00 3.22 H new ATOM 0 HG3 GLN A 12 17.094 -2.001 2.753 1.00 3.22 H new ATOM 0 HE21 GLN A 12 19.127 -2.866 4.835 1.00 2.41 H new ATOM 0 HE22 GLN A 12 19.990 -1.381 5.249 1.00 2.41 H new ATOM 164 N PRO A 13 12.802 -0.796 5.484 1.00 11.13 N ATOM 165 CA PRO A 13 11.510 -0.103 5.512 1.00 62.44 C ATOM 166 C PRO A 13 11.442 1.037 4.501 1.00 23.15 C ATOM 167 O PRO A 13 12.450 1.682 4.210 1.00 13.41 O ATOM 168 CB PRO A 13 11.430 0.442 6.940 1.00 61.23 C ATOM 169 CG PRO A 13 12.849 0.576 7.374 1.00 52.10 C ATOM 170 CD PRO A 13 13.596 -0.539 6.697 1.00 24.54 C ATOM 0 HA PRO A 13 10.686 -0.766 5.248 1.00 62.44 H new ATOM 0 HB2 PRO A 13 10.915 1.402 6.969 1.00 61.23 H new ATOM 0 HB3 PRO A 13 10.879 -0.236 7.592 1.00 61.23 H new ATOM 0 HG2 PRO A 13 13.254 1.547 7.089 1.00 52.10 H new ATOM 0 HG3 PRO A 13 12.934 0.501 8.458 1.00 52.10 H new ATOM 0 HD2 PRO A 13 14.618 -0.248 6.454 1.00 24.54 H new ATOM 0 HD3 PRO A 13 13.659 -1.423 7.331 1.00 24.54 H new ATOM 178 N HIS A 14 10.248 1.280 3.970 1.00 4.30 N ATOM 179 CA HIS A 14 10.049 2.344 2.993 1.00 43.55 C ATOM 180 C HIS A 14 8.771 3.122 3.289 1.00 12.52 C ATOM 181 O HIS A 14 8.043 2.806 4.230 1.00 32.23 O ATOM 182 CB HIS A 14 9.990 1.763 1.580 1.00 42.44 C ATOM 183 CG HIS A 14 11.267 1.110 1.147 1.00 53.33 C ATOM 184 ND1 HIS A 14 11.515 -0.236 1.308 1.00 64.40 N ATOM 185 CD2 HIS A 14 12.368 1.626 0.554 1.00 44.55 C ATOM 186 CE1 HIS A 14 12.716 -0.520 0.834 1.00 14.04 C ATOM 187 NE2 HIS A 14 13.254 0.593 0.370 1.00 1.23 N ATOM 0 H HIS A 14 9.404 0.755 4.200 1.00 4.30 H new ATOM 0 HA HIS A 14 10.894 3.029 3.062 1.00 43.55 H new ATOM 0 HB2 HIS A 14 9.183 1.032 1.530 1.00 42.44 H new ATOM 0 HB3 HIS A 14 9.743 2.560 0.878 1.00 42.44 H new ATOM 0 HD2 HIS A 14 12.522 2.658 0.277 1.00 44.55 H new ATOM 0 HE1 HIS A 14 13.178 -1.496 0.827 1.00 14.04 H new ATOM 0 HE2 HIS A 14 14.177 0.673 -0.056 1.00 1.23 H new ATOM 195 N LYS A 15 8.504 4.143 2.481 1.00 73.41 N ATOM 196 CA LYS A 15 7.313 4.966 2.655 1.00 4.43 C ATOM 197 C LYS A 15 6.247 4.607 1.626 1.00 61.34 C ATOM 198 O LYS A 15 5.321 5.380 1.381 1.00 43.52 O ATOM 199 CB LYS A 15 7.672 6.449 2.537 1.00 44.33 C ATOM 200 CG LYS A 15 8.512 6.776 1.314 1.00 73.14 C ATOM 201 CD LYS A 15 9.909 7.230 1.701 1.00 20.02 C ATOM 202 CE LYS A 15 10.670 7.777 0.503 1.00 32.21 C ATOM 203 NZ LYS A 15 11.359 9.058 0.821 1.00 24.34 N ATOM 0 H LYS A 15 9.097 4.420 1.699 1.00 73.41 H new ATOM 0 HA LYS A 15 6.911 4.773 3.650 1.00 4.43 H new ATOM 0 HB2 LYS A 15 6.754 7.035 2.504 1.00 44.33 H new ATOM 0 HB3 LYS A 15 8.214 6.755 3.432 1.00 44.33 H new ATOM 0 HG2 LYS A 15 8.579 5.897 0.672 1.00 73.14 H new ATOM 0 HG3 LYS A 15 8.022 7.558 0.734 1.00 73.14 H new ATOM 0 HD2 LYS A 15 9.843 7.997 2.472 1.00 20.02 H new ATOM 0 HD3 LYS A 15 10.459 6.393 2.131 1.00 20.02 H new ATOM 0 HE2 LYS A 15 11.404 7.042 0.173 1.00 32.21 H new ATOM 0 HE3 LYS A 15 9.979 7.932 -0.326 1.00 32.21 H new ATOM 0 HZ1 LYS A 15 11.866 9.398 -0.021 1.00 24.34 H new ATOM 0 HZ2 LYS A 15 10.656 9.767 1.112 1.00 24.34 H new ATOM 0 HZ3 LYS A 15 12.037 8.905 1.595 1.00 24.34 H new ATOM 217 N ARG A 16 6.383 3.428 1.027 1.00 51.12 N ATOM 218 CA ARG A 16 5.431 2.966 0.024 1.00 53.41 C ATOM 219 C ARG A 16 5.149 1.476 0.187 1.00 64.41 C ATOM 220 O ARG A 16 6.070 0.658 0.203 1.00 50.53 O ATOM 221 CB ARG A 16 5.964 3.245 -1.383 1.00 32.13 C ATOM 222 CG ARG A 16 6.277 4.711 -1.636 1.00 72.53 C ATOM 223 CD ARG A 16 6.774 4.937 -3.056 1.00 34.54 C ATOM 224 NE ARG A 16 7.504 6.194 -3.186 1.00 51.51 N ATOM 225 CZ ARG A 16 8.265 6.497 -4.232 1.00 4.24 C ATOM 226 NH1 ARG A 16 8.395 5.637 -5.233 1.00 1.35 N ATOM 227 NH2 ARG A 16 8.899 7.662 -4.278 1.00 14.34 N ATOM 0 H ARG A 16 7.143 2.776 1.219 1.00 51.12 H new ATOM 0 HA ARG A 16 4.498 3.512 0.166 1.00 53.41 H new ATOM 0 HB2 ARG A 16 6.867 2.656 -1.544 1.00 32.13 H new ATOM 0 HB3 ARG A 16 5.229 2.908 -2.114 1.00 32.13 H new ATOM 0 HG2 ARG A 16 5.383 5.310 -1.462 1.00 72.53 H new ATOM 0 HG3 ARG A 16 7.032 5.051 -0.927 1.00 72.53 H new ATOM 0 HD2 ARG A 16 7.421 4.110 -3.350 1.00 34.54 H new ATOM 0 HD3 ARG A 16 5.926 4.938 -3.741 1.00 34.54 H new ATOM 0 HE ARG A 16 7.426 6.877 -2.433 1.00 51.51 H new ATOM 0 HH11 ARG A 16 7.910 4.740 -5.201 1.00 1.35 H new ATOM 0 HH12 ARG A 16 8.980 5.872 -6.035 1.00 1.35 H new ATOM 0 HH21 ARG A 16 8.802 8.326 -3.510 1.00 14.34 H new ATOM 0 HH22 ARG A 16 9.483 7.893 -5.082 1.00 14.34 H new ATOM 241 N TRP A 17 3.873 1.130 0.308 1.00 30.22 N ATOM 242 CA TRP A 17 3.471 -0.263 0.471 1.00 53.23 C ATOM 243 C TRP A 17 2.094 -0.506 -0.138 1.00 64.43 C ATOM 244 O TRP A 17 1.172 0.288 0.049 1.00 64.40 O ATOM 245 CB TRP A 17 3.461 -0.643 1.952 1.00 10.33 C ATOM 246 CG TRP A 17 4.833 -0.804 2.533 1.00 22.31 C ATOM 247 CD1 TRP A 17 5.545 0.132 3.227 1.00 42.34 C ATOM 248 CD2 TRP A 17 5.659 -1.972 2.469 1.00 72.31 C ATOM 249 NE1 TRP A 17 6.764 -0.383 3.597 1.00 32.13 N ATOM 250 CE2 TRP A 17 6.858 -1.673 3.145 1.00 15.23 C ATOM 251 CE3 TRP A 17 5.501 -3.242 1.908 1.00 64.42 C ATOM 252 CZ2 TRP A 17 7.891 -2.597 3.273 1.00 72.20 C ATOM 253 CZ3 TRP A 17 6.528 -4.159 2.035 1.00 11.32 C ATOM 254 CH2 TRP A 17 7.710 -3.833 2.714 1.00 72.01 C ATOM 0 H TRP A 17 3.099 1.794 0.296 1.00 30.22 H new ATOM 0 HA TRP A 17 4.195 -0.888 -0.052 1.00 53.23 H new ATOM 0 HB2 TRP A 17 2.924 0.122 2.513 1.00 10.33 H new ATOM 0 HB3 TRP A 17 2.910 -1.575 2.077 1.00 10.33 H new ATOM 0 HD1 TRP A 17 5.201 1.131 3.452 1.00 42.34 H new ATOM 0 HE1 TRP A 17 7.483 0.114 4.123 1.00 32.13 H new ATOM 0 HE3 TRP A 17 4.593 -3.503 1.385 1.00 64.42 H new ATOM 0 HZ2 TRP A 17 8.803 -2.347 3.795 1.00 72.20 H new ATOM 0 HZ3 TRP A 17 6.418 -5.143 1.604 1.00 11.32 H new ATOM 0 HH2 TRP A 17 8.493 -4.572 2.798 1.00 72.01 H new ATOM 265 N VAL A 18 1.962 -1.609 -0.868 1.00 74.52 N ATOM 266 CA VAL A 18 0.697 -1.958 -1.504 1.00 34.03 C ATOM 267 C VAL A 18 0.049 -3.156 -0.819 1.00 23.33 C ATOM 268 O VAL A 18 0.725 -3.952 -0.166 1.00 42.10 O ATOM 269 CB VAL A 18 0.888 -2.277 -2.998 1.00 44.23 C ATOM 270 CG1 VAL A 18 1.440 -1.066 -3.736 1.00 74.32 C ATOM 271 CG2 VAL A 18 1.803 -3.480 -3.173 1.00 11.11 C ATOM 0 H VAL A 18 2.716 -2.276 -1.034 1.00 74.52 H new ATOM 0 HA VAL A 18 0.045 -1.090 -1.406 1.00 34.03 H new ATOM 0 HB VAL A 18 -0.084 -2.523 -3.426 1.00 44.23 H new ATOM 0 HG11 VAL A 18 1.569 -1.310 -4.791 1.00 74.32 H new ATOM 0 HG12 VAL A 18 0.745 -0.232 -3.639 1.00 74.32 H new ATOM 0 HG13 VAL A 18 2.403 -0.787 -3.308 1.00 74.32 H new ATOM 0 HG21 VAL A 18 1.927 -3.691 -4.235 1.00 11.11 H new ATOM 0 HG22 VAL A 18 2.775 -3.265 -2.730 1.00 11.11 H new ATOM 0 HG23 VAL A 18 1.363 -4.347 -2.680 1.00 11.11 H new ATOM 281 N PHE A 19 -1.265 -3.280 -0.972 1.00 40.21 N ATOM 282 CA PHE A 19 -2.005 -4.381 -0.368 1.00 30.52 C ATOM 283 C PHE A 19 -2.995 -4.981 -1.362 1.00 35.23 C ATOM 284 O PHE A 19 -3.577 -4.271 -2.183 1.00 4.00 O ATOM 285 CB PHE A 19 -2.746 -3.901 0.882 1.00 75.25 C ATOM 286 CG PHE A 19 -3.638 -2.719 0.632 1.00 50.51 C ATOM 287 CD1 PHE A 19 -3.112 -1.438 0.573 1.00 72.03 C ATOM 288 CD2 PHE A 19 -5.002 -2.887 0.457 1.00 31.30 C ATOM 289 CE1 PHE A 19 -3.930 -0.347 0.343 1.00 62.52 C ATOM 290 CE2 PHE A 19 -5.825 -1.801 0.226 1.00 5.34 C ATOM 291 CZ PHE A 19 -5.288 -0.529 0.170 1.00 21.25 C ATOM 0 H PHE A 19 -1.840 -2.631 -1.510 1.00 40.21 H new ATOM 0 HA PHE A 19 -1.290 -5.153 -0.083 1.00 30.52 H new ATOM 0 HB2 PHE A 19 -3.345 -4.721 1.277 1.00 75.25 H new ATOM 0 HB3 PHE A 19 -2.017 -3.640 1.649 1.00 75.25 H new ATOM 0 HD1 PHE A 19 -2.051 -1.290 0.708 1.00 72.03 H new ATOM 0 HD2 PHE A 19 -5.427 -3.879 0.502 1.00 31.30 H new ATOM 0 HE1 PHE A 19 -3.507 0.646 0.299 1.00 62.52 H new ATOM 0 HE2 PHE A 19 -6.886 -1.946 0.089 1.00 5.34 H new ATOM 0 HZ PHE A 19 -5.929 0.321 -0.009 1.00 21.25 H new ATOM 301 N THR A 20 -3.183 -6.295 -1.282 1.00 1.03 N ATOM 302 CA THR A 20 -4.101 -6.992 -2.174 1.00 3.21 C ATOM 303 C THR A 20 -4.718 -8.206 -1.489 1.00 12.51 C ATOM 304 O THR A 20 -4.009 -9.045 -0.932 1.00 11.42 O ATOM 305 CB THR A 20 -3.392 -7.449 -3.463 1.00 33.30 C ATOM 306 OG1 THR A 20 -2.430 -8.466 -3.159 1.00 54.51 O ATOM 307 CG2 THR A 20 -2.702 -6.278 -4.146 1.00 21.23 C ATOM 0 H THR A 20 -2.711 -6.898 -0.608 1.00 1.03 H new ATOM 0 HA THR A 20 -4.889 -6.285 -2.432 1.00 3.21 H new ATOM 0 HB THR A 20 -4.144 -7.852 -4.141 1.00 33.30 H new ATOM 0 HG1 THR A 20 -2.749 -9.003 -2.404 1.00 54.51 H new ATOM 0 HG21 THR A 20 -2.208 -6.626 -5.054 1.00 21.23 H new ATOM 0 HG22 THR A 20 -3.441 -5.519 -4.403 1.00 21.23 H new ATOM 0 HG23 THR A 20 -1.961 -5.849 -3.472 1.00 21.23 H new ATOM 315 N LEU A 21 -6.043 -8.294 -1.534 1.00 1.01 N ATOM 316 CA LEU A 21 -6.757 -9.407 -0.918 1.00 2.03 C ATOM 317 C LEU A 21 -7.918 -9.862 -1.796 1.00 14.35 C ATOM 318 O LEU A 21 -8.763 -9.059 -2.189 1.00 13.23 O ATOM 319 CB LEU A 21 -7.274 -9.004 0.464 1.00 33.13 C ATOM 320 CG LEU A 21 -7.982 -10.100 1.262 1.00 64.31 C ATOM 321 CD1 LEU A 21 -7.005 -10.793 2.200 1.00 40.33 C ATOM 322 CD2 LEU A 21 -9.153 -9.521 2.042 1.00 50.03 C ATOM 0 H LEU A 21 -6.644 -7.608 -1.990 1.00 1.01 H new ATOM 0 HA LEU A 21 -6.061 -10.239 -0.810 1.00 2.03 H new ATOM 0 HB2 LEU A 21 -6.432 -8.640 1.053 1.00 33.13 H new ATOM 0 HB3 LEU A 21 -7.963 -8.168 0.343 1.00 33.13 H new ATOM 0 HG LEU A 21 -8.369 -10.840 0.561 1.00 64.31 H new ATOM 0 HD11 LEU A 21 -7.526 -11.570 2.759 1.00 40.33 H new ATOM 0 HD12 LEU A 21 -6.200 -11.243 1.619 1.00 40.33 H new ATOM 0 HD13 LEU A 21 -6.588 -10.064 2.894 1.00 40.33 H new ATOM 0 HD21 LEU A 21 -9.645 -10.315 2.604 1.00 50.03 H new ATOM 0 HD22 LEU A 21 -8.790 -8.760 2.732 1.00 50.03 H new ATOM 0 HD23 LEU A 21 -9.865 -9.072 1.349 1.00 50.03 H new ATOM 334 N ASN A 22 -7.954 -11.156 -2.097 1.00 52.31 N ATOM 335 CA ASN A 22 -9.013 -11.718 -2.927 1.00 54.11 C ATOM 336 C ASN A 22 -10.291 -11.916 -2.118 1.00 34.32 C ATOM 337 O ASN A 22 -10.257 -12.432 -1.001 1.00 52.04 O ATOM 338 CB ASN A 22 -8.565 -13.051 -3.528 1.00 70.45 C ATOM 339 CG ASN A 22 -9.623 -13.667 -4.424 1.00 11.13 C ATOM 340 OD1 ASN A 22 -10.511 -12.974 -4.920 1.00 73.15 O ATOM 341 ND2 ASN A 22 -9.533 -14.975 -4.633 1.00 64.04 N ATOM 0 H ASN A 22 -7.262 -11.835 -1.779 1.00 52.31 H new ATOM 0 HA ASN A 22 -9.220 -11.015 -3.734 1.00 54.11 H new ATOM 0 HB2 ASN A 22 -7.651 -12.899 -4.102 1.00 70.45 H new ATOM 0 HB3 ASN A 22 -8.324 -13.746 -2.724 1.00 70.45 H new ATOM 0 HD21 ASN A 22 -10.217 -15.445 -5.226 1.00 64.04 H new ATOM 0 HD22 ASN A 22 -8.780 -15.510 -4.201 1.00 64.04 H new ATOM 348 N ASN A 23 -11.418 -11.503 -2.690 1.00 23.41 N ATOM 349 CA ASN A 23 -12.707 -11.636 -2.022 1.00 14.21 C ATOM 350 C ASN A 23 -12.653 -11.052 -0.613 1.00 61.13 C ATOM 351 O ASN A 23 -12.755 -11.765 0.385 1.00 3.03 O ATOM 352 CB ASN A 23 -13.125 -13.106 -1.961 1.00 30.42 C ATOM 353 CG ASN A 23 -14.507 -13.291 -1.365 1.00 14.41 C ATOM 354 OD1 ASN A 23 -14.703 -14.104 -0.462 1.00 2.13 O ATOM 355 ND2 ASN A 23 -15.475 -12.534 -1.870 1.00 3.22 N ATOM 0 H ASN A 23 -11.464 -11.074 -3.614 1.00 23.41 H new ATOM 0 HA ASN A 23 -13.445 -11.079 -2.599 1.00 14.21 H new ATOM 0 HB2 ASN A 23 -13.106 -13.528 -2.966 1.00 30.42 H new ATOM 0 HB3 ASN A 23 -12.399 -13.663 -1.368 1.00 30.42 H new ATOM 0 HD21 ASN A 23 -16.426 -12.614 -1.509 1.00 3.22 H new ATOM 0 HD22 ASN A 23 -15.267 -11.873 -2.618 1.00 3.22 H new ATOM 362 N PRO A 24 -12.489 -9.723 -0.529 1.00 61.54 N ATOM 363 CA PRO A 24 -12.418 -9.014 0.751 1.00 13.14 C ATOM 364 C PRO A 24 -13.759 -8.993 1.477 1.00 13.21 C ATOM 365 O PRO A 24 -14.817 -9.037 0.849 1.00 43.35 O ATOM 366 CB PRO A 24 -12.006 -7.596 0.349 1.00 4.11 C ATOM 367 CG PRO A 24 -12.479 -7.448 -1.056 1.00 3.12 C ATOM 368 CD PRO A 24 -12.360 -8.812 -1.678 1.00 53.54 C ATOM 0 HA PRO A 24 -11.727 -9.493 1.444 1.00 13.14 H new ATOM 0 HB2 PRO A 24 -12.463 -6.851 1.001 1.00 4.11 H new ATOM 0 HB3 PRO A 24 -10.927 -7.462 0.419 1.00 4.11 H new ATOM 0 HG2 PRO A 24 -13.509 -7.094 -1.086 1.00 3.12 H new ATOM 0 HG3 PRO A 24 -11.876 -6.719 -1.596 1.00 3.12 H new ATOM 0 HD2 PRO A 24 -13.141 -8.986 -2.418 1.00 53.54 H new ATOM 0 HD3 PRO A 24 -11.405 -8.940 -2.187 1.00 53.54 H new ATOM 376 N SER A 25 -13.708 -8.925 2.804 1.00 51.14 N ATOM 377 CA SER A 25 -14.919 -8.901 3.615 1.00 35.30 C ATOM 378 C SER A 25 -15.364 -7.467 3.886 1.00 72.25 C ATOM 379 O SER A 25 -14.575 -6.530 3.772 1.00 21.14 O ATOM 380 CB SER A 25 -14.687 -9.633 4.938 1.00 23.31 C ATOM 381 OG SER A 25 -15.643 -10.662 5.127 1.00 13.52 O ATOM 0 H SER A 25 -12.841 -8.886 3.340 1.00 51.14 H new ATOM 0 HA SER A 25 -15.708 -9.409 3.060 1.00 35.30 H new ATOM 0 HB2 SER A 25 -13.683 -10.058 4.951 1.00 23.31 H new ATOM 0 HB3 SER A 25 -14.743 -8.924 5.764 1.00 23.31 H new ATOM 0 HG SER A 25 -15.472 -11.115 5.979 1.00 13.52 H new ATOM 387 N GLU A 26 -16.634 -7.306 4.243 1.00 13.44 N ATOM 388 CA GLU A 26 -17.185 -5.986 4.529 1.00 2.02 C ATOM 389 C GLU A 26 -16.462 -5.339 5.707 1.00 13.42 C ATOM 390 O GLU A 26 -16.356 -4.115 5.787 1.00 4.31 O ATOM 391 CB GLU A 26 -18.682 -6.087 4.828 1.00 20.22 C ATOM 392 CG GLU A 26 -19.028 -7.162 5.845 1.00 53.01 C ATOM 393 CD GLU A 26 -19.870 -6.633 6.989 1.00 14.45 C ATOM 394 OE1 GLU A 26 -21.069 -6.362 6.769 1.00 52.20 O ATOM 395 OE2 GLU A 26 -19.330 -6.490 8.106 1.00 2.32 O ATOM 0 H GLU A 26 -17.300 -8.072 4.341 1.00 13.44 H new ATOM 0 HA GLU A 26 -17.040 -5.361 3.648 1.00 2.02 H new ATOM 0 HB2 GLU A 26 -19.036 -5.124 5.195 1.00 20.22 H new ATOM 0 HB3 GLU A 26 -19.216 -6.291 3.900 1.00 20.22 H new ATOM 0 HG2 GLU A 26 -19.565 -7.969 5.347 1.00 53.01 H new ATOM 0 HG3 GLU A 26 -18.108 -7.590 6.243 1.00 53.01 H new ATOM 402 N ASP A 27 -15.969 -6.169 6.619 1.00 1.23 N ATOM 403 CA ASP A 27 -15.256 -5.679 7.793 1.00 10.33 C ATOM 404 C ASP A 27 -13.822 -5.298 7.439 1.00 60.13 C ATOM 405 O ASP A 27 -13.354 -4.214 7.785 1.00 32.03 O ATOM 406 CB ASP A 27 -15.258 -6.738 8.897 1.00 63.15 C ATOM 407 CG ASP A 27 -15.867 -6.228 10.188 1.00 60.43 C ATOM 408 OD1 ASP A 27 -16.999 -5.703 10.143 1.00 35.42 O ATOM 409 OD2 ASP A 27 -15.212 -6.355 11.243 1.00 22.20 O ATOM 0 H ASP A 27 -16.050 -7.185 6.568 1.00 1.23 H new ATOM 0 HA ASP A 27 -15.771 -4.788 8.154 1.00 10.33 H new ATOM 0 HB2 ASP A 27 -15.814 -7.612 8.557 1.00 63.15 H new ATOM 0 HB3 ASP A 27 -14.235 -7.064 9.085 1.00 63.15 H new ATOM 414 N GLU A 28 -13.130 -6.198 6.747 1.00 61.01 N ATOM 415 CA GLU A 28 -11.748 -5.956 6.348 1.00 75.24 C ATOM 416 C GLU A 28 -11.662 -4.791 5.366 1.00 61.21 C ATOM 417 O GLU A 28 -10.852 -3.880 5.537 1.00 23.23 O ATOM 418 CB GLU A 28 -11.149 -7.215 5.717 1.00 42.32 C ATOM 419 CG GLU A 28 -9.766 -7.559 6.243 1.00 65.14 C ATOM 420 CD GLU A 28 -8.802 -6.391 6.158 1.00 22.41 C ATOM 421 OE1 GLU A 28 -8.655 -5.823 5.056 1.00 50.22 O ATOM 422 OE2 GLU A 28 -8.195 -6.046 7.193 1.00 24.41 O ATOM 0 H GLU A 28 -13.503 -7.100 6.451 1.00 61.01 H new ATOM 0 HA GLU A 28 -11.178 -5.699 7.241 1.00 75.24 H new ATOM 0 HB2 GLU A 28 -11.818 -8.056 5.899 1.00 42.32 H new ATOM 0 HB3 GLU A 28 -11.095 -7.079 4.637 1.00 42.32 H new ATOM 0 HG2 GLU A 28 -9.846 -7.884 7.280 1.00 65.14 H new ATOM 0 HG3 GLU A 28 -9.364 -8.399 5.676 1.00 65.14 H new ATOM 429 N ARG A 29 -12.502 -4.828 4.337 1.00 72.51 N ATOM 430 CA ARG A 29 -12.520 -3.778 3.327 1.00 41.44 C ATOM 431 C ARG A 29 -12.849 -2.426 3.954 1.00 73.04 C ATOM 432 O ARG A 29 -12.281 -1.400 3.579 1.00 71.24 O ATOM 433 CB ARG A 29 -13.540 -4.107 2.235 1.00 64.51 C ATOM 434 CG ARG A 29 -13.662 -3.029 1.170 1.00 35.45 C ATOM 435 CD ARG A 29 -15.116 -2.668 0.909 1.00 72.34 C ATOM 436 NE ARG A 29 -15.655 -3.373 -0.251 1.00 61.34 N ATOM 437 CZ ARG A 29 -16.726 -2.969 -0.925 1.00 41.32 C ATOM 438 NH1 ARG A 29 -17.369 -1.869 -0.556 1.00 60.55 N ATOM 439 NH2 ARG A 29 -17.155 -3.664 -1.971 1.00 34.15 N ATOM 0 H ARG A 29 -13.179 -5.575 4.181 1.00 72.51 H new ATOM 0 HA ARG A 29 -11.527 -3.721 2.881 1.00 41.44 H new ATOM 0 HB2 ARG A 29 -13.259 -5.046 1.759 1.00 64.51 H new ATOM 0 HB3 ARG A 29 -14.515 -4.262 2.696 1.00 64.51 H new ATOM 0 HG2 ARG A 29 -13.116 -2.140 1.486 1.00 35.45 H new ATOM 0 HG3 ARG A 29 -13.200 -3.375 0.245 1.00 35.45 H new ATOM 0 HD2 ARG A 29 -15.713 -2.908 1.789 1.00 72.34 H new ATOM 0 HD3 ARG A 29 -15.200 -1.593 0.751 1.00 72.34 H new ATOM 0 HE ARG A 29 -15.183 -4.223 -0.561 1.00 61.34 H new ATOM 0 HH11 ARG A 29 -17.041 -1.332 0.247 1.00 60.55 H new ATOM 0 HH12 ARG A 29 -18.191 -1.561 -1.075 1.00 60.55 H new ATOM 0 HH21 ARG A 29 -16.662 -4.510 -2.258 1.00 34.15 H new ATOM 0 HH22 ARG A 29 -17.978 -3.353 -2.488 1.00 34.15 H new ATOM 453 N LYS A 30 -13.771 -2.433 4.910 1.00 14.52 N ATOM 454 CA LYS A 30 -14.177 -1.208 5.591 1.00 71.52 C ATOM 455 C LYS A 30 -13.060 -0.691 6.492 1.00 35.41 C ATOM 456 O LYS A 30 -12.876 0.517 6.639 1.00 41.15 O ATOM 457 CB LYS A 30 -15.441 -1.455 6.417 1.00 32.13 C ATOM 458 CG LYS A 30 -15.959 -0.213 7.122 1.00 30.31 C ATOM 459 CD LYS A 30 -17.227 -0.506 7.908 1.00 45.54 C ATOM 460 CE LYS A 30 -18.346 -0.989 6.999 1.00 54.31 C ATOM 461 NZ LYS A 30 -19.690 -0.723 7.584 1.00 4.43 N ATOM 0 H LYS A 30 -14.252 -3.273 5.231 1.00 14.52 H new ATOM 0 HA LYS A 30 -14.387 -0.453 4.834 1.00 71.52 H new ATOM 0 HB2 LYS A 30 -16.222 -1.844 5.763 1.00 32.13 H new ATOM 0 HB3 LYS A 30 -15.235 -2.225 7.160 1.00 32.13 H new ATOM 0 HG2 LYS A 30 -15.193 0.170 7.796 1.00 30.31 H new ATOM 0 HG3 LYS A 30 -16.157 0.568 6.387 1.00 30.31 H new ATOM 0 HD2 LYS A 30 -17.020 -1.262 8.666 1.00 45.54 H new ATOM 0 HD3 LYS A 30 -17.547 0.394 8.434 1.00 45.54 H new ATOM 0 HE2 LYS A 30 -18.267 -0.494 6.031 1.00 54.31 H new ATOM 0 HE3 LYS A 30 -18.233 -2.058 6.820 1.00 54.31 H new ATOM 0 HZ1 LYS A 30 -20.426 -1.067 6.934 1.00 4.43 H new ATOM 0 HZ2 LYS A 30 -19.775 -1.216 8.496 1.00 4.43 H new ATOM 0 HZ3 LYS A 30 -19.808 0.300 7.731 1.00 4.43 H new ATOM 475 N LYS A 31 -12.317 -1.614 7.094 1.00 42.34 N ATOM 476 CA LYS A 31 -11.216 -1.252 7.979 1.00 50.04 C ATOM 477 C LYS A 31 -10.156 -0.451 7.229 1.00 12.33 C ATOM 478 O LYS A 31 -9.734 0.613 7.683 1.00 42.43 O ATOM 479 CB LYS A 31 -10.587 -2.509 8.584 1.00 41.11 C ATOM 480 CG LYS A 31 -9.282 -2.244 9.315 1.00 33.42 C ATOM 481 CD LYS A 31 -8.703 -3.521 9.902 1.00 41.24 C ATOM 482 CE LYS A 31 -7.217 -3.648 9.602 1.00 52.33 C ATOM 483 NZ LYS A 31 -6.408 -2.671 10.382 1.00 54.41 N ATOM 0 H LYS A 31 -12.457 -2.618 6.985 1.00 42.34 H new ATOM 0 HA LYS A 31 -11.616 -0.631 8.781 1.00 50.04 H new ATOM 0 HB2 LYS A 31 -11.296 -2.963 9.276 1.00 41.11 H new ATOM 0 HB3 LYS A 31 -10.408 -3.234 7.790 1.00 41.11 H new ATOM 0 HG2 LYS A 31 -8.562 -1.799 8.627 1.00 33.42 H new ATOM 0 HG3 LYS A 31 -9.451 -1.520 10.112 1.00 33.42 H new ATOM 0 HD2 LYS A 31 -8.860 -3.531 10.981 1.00 41.24 H new ATOM 0 HD3 LYS A 31 -9.232 -4.383 9.495 1.00 41.24 H new ATOM 0 HE2 LYS A 31 -6.885 -4.660 9.833 1.00 52.33 H new ATOM 0 HE3 LYS A 31 -7.047 -3.492 8.537 1.00 52.33 H new ATOM 0 HZ1 LYS A 31 -5.495 -2.520 9.908 1.00 54.41 H new ATOM 0 HZ2 LYS A 31 -6.920 -1.768 10.444 1.00 54.41 H new ATOM 0 HZ3 LYS A 31 -6.244 -3.042 11.339 1.00 54.41 H new ATOM 497 N ILE A 32 -9.732 -0.968 6.081 1.00 13.40 N ATOM 498 CA ILE A 32 -8.724 -0.298 5.269 1.00 71.24 C ATOM 499 C ILE A 32 -9.252 1.021 4.715 1.00 64.14 C ATOM 500 O ILE A 32 -8.542 2.027 4.698 1.00 32.03 O ATOM 501 CB ILE A 32 -8.264 -1.187 4.098 1.00 51.54 C ATOM 502 CG1 ILE A 32 -7.280 -2.249 4.591 1.00 62.01 C ATOM 503 CG2 ILE A 32 -7.632 -0.337 3.005 1.00 24.22 C ATOM 504 CD1 ILE A 32 -6.931 -3.283 3.543 1.00 15.02 C ATOM 0 H ILE A 32 -10.071 -1.848 5.692 1.00 13.40 H new ATOM 0 HA ILE A 32 -7.873 -0.100 5.921 1.00 71.24 H new ATOM 0 HB ILE A 32 -9.135 -1.692 3.681 1.00 51.54 H new ATOM 0 HG12 ILE A 32 -6.365 -1.758 4.924 1.00 62.01 H new ATOM 0 HG13 ILE A 32 -7.706 -2.753 5.459 1.00 62.01 H new ATOM 0 HG21 ILE A 32 -7.312 -0.979 2.184 1.00 24.22 H new ATOM 0 HG22 ILE A 32 -8.362 0.385 2.638 1.00 24.22 H new ATOM 0 HG23 ILE A 32 -6.769 0.193 3.409 1.00 24.22 H new ATOM 0 HD11 ILE A 32 -6.229 -4.004 3.963 1.00 15.02 H new ATOM 0 HD12 ILE A 32 -7.837 -3.800 3.226 1.00 15.02 H new ATOM 0 HD13 ILE A 32 -6.475 -2.791 2.684 1.00 15.02 H new ATOM 516 N ARG A 33 -10.501 1.009 4.263 1.00 15.21 N ATOM 517 CA ARG A 33 -11.125 2.205 3.709 1.00 62.12 C ATOM 518 C ARG A 33 -11.407 3.229 4.805 1.00 61.34 C ATOM 519 O ARG A 33 -11.566 4.418 4.531 1.00 44.45 O ATOM 520 CB ARG A 33 -12.425 1.841 2.989 1.00 42.20 C ATOM 521 CG ARG A 33 -13.244 3.049 2.564 1.00 31.12 C ATOM 522 CD ARG A 33 -14.267 2.682 1.500 1.00 21.13 C ATOM 523 NE ARG A 33 -15.615 2.572 2.052 1.00 42.24 N ATOM 524 CZ ARG A 33 -16.705 2.437 1.305 1.00 33.23 C ATOM 525 NH1 ARG A 33 -16.607 2.394 -0.016 1.00 51.33 N ATOM 526 NH2 ARG A 33 -17.897 2.343 1.881 1.00 52.22 N ATOM 0 H ARG A 33 -11.101 0.184 4.269 1.00 15.21 H new ATOM 0 HA ARG A 33 -10.432 2.647 2.993 1.00 62.12 H new ATOM 0 HB2 ARG A 33 -12.188 1.245 2.108 1.00 42.20 H new ATOM 0 HB3 ARG A 33 -13.030 1.214 3.644 1.00 42.20 H new ATOM 0 HG2 ARG A 33 -13.754 3.468 3.432 1.00 31.12 H new ATOM 0 HG3 ARG A 33 -12.580 3.823 2.180 1.00 31.12 H new ATOM 0 HD2 ARG A 33 -14.258 3.436 0.713 1.00 21.13 H new ATOM 0 HD3 ARG A 33 -13.986 1.736 1.038 1.00 21.13 H new ATOM 0 HE ARG A 33 -15.725 2.600 3.066 1.00 42.24 H new ATOM 0 HH11 ARG A 33 -15.692 2.465 -0.462 1.00 51.33 H new ATOM 0 HH12 ARG A 33 -17.446 2.290 -0.587 1.00 51.33 H new ATOM 0 HH21 ARG A 33 -17.976 2.374 2.897 1.00 52.22 H new ATOM 0 HH22 ARG A 33 -18.734 2.239 1.307 1.00 52.22 H new ATOM 540 N ASP A 34 -11.468 2.758 6.045 1.00 34.32 N ATOM 541 CA ASP A 34 -11.731 3.632 7.183 1.00 62.23 C ATOM 542 C ASP A 34 -10.433 4.002 7.894 1.00 32.35 C ATOM 543 O ASP A 34 -10.452 4.596 8.973 1.00 21.34 O ATOM 544 CB ASP A 34 -12.690 2.954 8.163 1.00 4.41 C ATOM 545 CG ASP A 34 -13.236 3.918 9.198 1.00 42.20 C ATOM 546 OD1 ASP A 34 -13.147 5.144 8.973 1.00 23.34 O ATOM 547 OD2 ASP A 34 -13.753 3.447 10.232 1.00 12.21 O ATOM 0 H ASP A 34 -11.339 1.776 6.288 1.00 34.32 H new ATOM 0 HA ASP A 34 -12.193 4.546 6.810 1.00 62.23 H new ATOM 0 HB2 ASP A 34 -13.518 2.512 7.609 1.00 4.41 H new ATOM 0 HB3 ASP A 34 -12.173 2.138 8.668 1.00 4.41 H new ATOM 552 N LEU A 35 -9.308 3.646 7.285 1.00 61.13 N ATOM 553 CA LEU A 35 -8.000 3.939 7.860 1.00 0.43 C ATOM 554 C LEU A 35 -7.753 5.444 7.911 1.00 23.35 C ATOM 555 O LEU A 35 -8.389 6.227 7.206 1.00 71.41 O ATOM 556 CB LEU A 35 -6.898 3.257 7.047 1.00 14.33 C ATOM 557 CG LEU A 35 -6.621 1.793 7.389 1.00 4.03 C ATOM 558 CD1 LEU A 35 -5.661 1.182 6.380 1.00 4.04 C ATOM 559 CD2 LEU A 35 -6.063 1.671 8.800 1.00 12.31 C ATOM 0 H LEU A 35 -9.275 3.154 6.392 1.00 61.13 H new ATOM 0 HA LEU A 35 -7.983 3.551 8.879 1.00 0.43 H new ATOM 0 HB2 LEU A 35 -7.162 3.319 5.991 1.00 14.33 H new ATOM 0 HB3 LEU A 35 -5.975 3.821 7.179 1.00 14.33 H new ATOM 0 HG LEU A 35 -7.562 1.245 7.343 1.00 4.03 H new ATOM 0 HD11 LEU A 35 -5.475 0.140 6.639 1.00 4.04 H new ATOM 0 HD12 LEU A 35 -6.098 1.236 5.383 1.00 4.04 H new ATOM 0 HD13 LEU A 35 -4.720 1.732 6.393 1.00 4.04 H new ATOM 0 HD21 LEU A 35 -5.872 0.622 9.026 1.00 12.31 H new ATOM 0 HD22 LEU A 35 -5.132 2.233 8.873 1.00 12.31 H new ATOM 0 HD23 LEU A 35 -6.785 2.070 9.513 1.00 12.31 H new ATOM 571 N PRO A 36 -6.805 5.859 8.765 1.00 44.15 N ATOM 572 CA PRO A 36 -6.449 7.272 8.926 1.00 12.11 C ATOM 573 C PRO A 36 -5.732 7.833 7.703 1.00 53.03 C ATOM 574 O PRO A 36 -4.655 7.365 7.334 1.00 23.34 O ATOM 575 CB PRO A 36 -5.514 7.266 10.138 1.00 51.31 C ATOM 576 CG PRO A 36 -4.933 5.895 10.162 1.00 72.44 C ATOM 577 CD PRO A 36 -6.006 4.981 9.637 1.00 53.43 C ATOM 0 HA PRO A 36 -7.329 7.902 9.052 1.00 12.11 H new ATOM 0 HB2 PRO A 36 -4.736 8.024 10.042 1.00 51.31 H new ATOM 0 HB3 PRO A 36 -6.057 7.482 11.058 1.00 51.31 H new ATOM 0 HG2 PRO A 36 -4.037 5.840 9.544 1.00 72.44 H new ATOM 0 HG3 PRO A 36 -4.640 5.613 11.173 1.00 72.44 H new ATOM 0 HD2 PRO A 36 -5.584 4.142 9.084 1.00 53.43 H new ATOM 0 HD3 PRO A 36 -6.607 4.561 10.444 1.00 53.43 H new ATOM 585 N ILE A 37 -6.337 8.838 7.078 1.00 65.12 N ATOM 586 CA ILE A 37 -5.754 9.463 5.897 1.00 51.11 C ATOM 587 C ILE A 37 -4.497 10.249 6.254 1.00 31.23 C ATOM 588 O ILE A 37 -3.550 10.314 5.471 1.00 41.41 O ATOM 589 CB ILE A 37 -6.757 10.407 5.207 1.00 61.41 C ATOM 590 CG1 ILE A 37 -7.332 11.402 6.217 1.00 70.22 C ATOM 591 CG2 ILE A 37 -7.872 9.606 4.550 1.00 3.22 C ATOM 592 CD1 ILE A 37 -8.268 12.417 5.599 1.00 32.31 C ATOM 0 H ILE A 37 -7.230 9.236 7.369 1.00 65.12 H new ATOM 0 HA ILE A 37 -5.493 8.658 5.210 1.00 51.11 H new ATOM 0 HB ILE A 37 -6.233 10.967 4.432 1.00 61.41 H new ATOM 0 HG12 ILE A 37 -7.866 10.853 6.993 1.00 70.22 H new ATOM 0 HG13 ILE A 37 -6.511 11.927 6.706 1.00 70.22 H new ATOM 0 HG21 ILE A 37 -8.573 10.287 4.067 1.00 3.22 H new ATOM 0 HG22 ILE A 37 -7.447 8.934 3.805 1.00 3.22 H new ATOM 0 HG23 ILE A 37 -8.396 9.023 5.307 1.00 3.22 H new ATOM 0 HD11 ILE A 37 -8.637 13.090 6.373 1.00 32.31 H new ATOM 0 HD12 ILE A 37 -7.733 12.992 4.843 1.00 32.31 H new ATOM 0 HD13 ILE A 37 -9.109 11.901 5.135 1.00 32.31 H new ATOM 604 N SER A 38 -4.495 10.843 7.444 1.00 71.55 N ATOM 605 CA SER A 38 -3.355 11.626 7.905 1.00 60.12 C ATOM 606 C SER A 38 -2.137 10.734 8.126 1.00 42.35 C ATOM 607 O SER A 38 -0.999 11.207 8.130 1.00 13.00 O ATOM 608 CB SER A 38 -3.705 12.361 9.200 1.00 22.34 C ATOM 609 OG SER A 38 -3.742 11.467 10.299 1.00 34.14 O ATOM 0 H SER A 38 -5.270 10.797 8.105 1.00 71.55 H new ATOM 0 HA SER A 38 -3.112 12.358 7.134 1.00 60.12 H new ATOM 0 HB2 SER A 38 -2.970 13.143 9.388 1.00 22.34 H new ATOM 0 HB3 SER A 38 -4.672 12.852 9.093 1.00 22.34 H new ATOM 0 HG SER A 38 -3.966 11.961 11.115 1.00 34.14 H new ATOM 615 N LEU A 39 -2.383 9.442 8.309 1.00 71.15 N ATOM 616 CA LEU A 39 -1.307 8.482 8.530 1.00 33.20 C ATOM 617 C LEU A 39 -0.545 8.210 7.237 1.00 11.10 C ATOM 618 O LEU A 39 0.643 7.887 7.260 1.00 12.34 O ATOM 619 CB LEU A 39 -1.871 7.174 9.088 1.00 72.35 C ATOM 620 CG LEU A 39 -1.029 6.483 10.161 1.00 40.13 C ATOM 621 CD1 LEU A 39 -1.922 5.869 11.227 1.00 34.21 C ATOM 622 CD2 LEU A 39 -0.134 5.422 9.536 1.00 54.41 C ATOM 0 H LEU A 39 -3.318 9.035 8.309 1.00 71.15 H new ATOM 0 HA LEU A 39 -0.614 8.910 9.254 1.00 33.20 H new ATOM 0 HB2 LEU A 39 -2.858 7.376 9.503 1.00 72.35 H new ATOM 0 HB3 LEU A 39 -2.009 6.479 8.260 1.00 72.35 H new ATOM 0 HG LEU A 39 -0.394 7.232 10.635 1.00 40.13 H new ATOM 0 HD11 LEU A 39 -1.305 5.382 11.982 1.00 34.21 H new ATOM 0 HD12 LEU A 39 -2.519 6.651 11.696 1.00 34.21 H new ATOM 0 HD13 LEU A 39 -2.583 5.133 10.769 1.00 34.21 H new ATOM 0 HD21 LEU A 39 0.458 4.941 10.314 1.00 54.41 H new ATOM 0 HD22 LEU A 39 -0.750 4.675 9.035 1.00 54.41 H new ATOM 0 HD23 LEU A 39 0.532 5.889 8.810 1.00 54.41 H new ATOM 634 N PHE A 40 -1.236 8.345 6.110 1.00 44.13 N ATOM 635 CA PHE A 40 -0.624 8.115 4.806 1.00 4.41 C ATOM 636 C PHE A 40 -0.788 9.336 3.906 1.00 43.34 C ATOM 637 O PHE A 40 -1.905 9.713 3.550 1.00 5.55 O ATOM 638 CB PHE A 40 -1.244 6.887 4.137 1.00 0.11 C ATOM 639 CG PHE A 40 -1.511 5.757 5.089 1.00 31.34 C ATOM 640 CD1 PHE A 40 -2.713 5.680 5.774 1.00 30.14 C ATOM 641 CD2 PHE A 40 -0.561 4.771 5.299 1.00 63.40 C ATOM 642 CE1 PHE A 40 -2.961 4.641 6.652 1.00 41.22 C ATOM 643 CE2 PHE A 40 -0.803 3.729 6.175 1.00 51.12 C ATOM 644 CZ PHE A 40 -2.005 3.664 6.851 1.00 34.03 C ATOM 0 H PHE A 40 -2.220 8.612 6.073 1.00 44.13 H new ATOM 0 HA PHE A 40 0.441 7.938 4.958 1.00 4.41 H new ATOM 0 HB2 PHE A 40 -2.179 7.177 3.659 1.00 0.11 H new ATOM 0 HB3 PHE A 40 -0.578 6.537 3.348 1.00 0.11 H new ATOM 0 HD1 PHE A 40 -3.465 6.440 5.620 1.00 30.14 H new ATOM 0 HD2 PHE A 40 0.381 4.817 4.772 1.00 63.40 H new ATOM 0 HE1 PHE A 40 -3.901 4.593 7.182 1.00 41.22 H new ATOM 0 HE2 PHE A 40 -0.053 2.967 6.330 1.00 51.12 H new ATOM 0 HZ PHE A 40 -2.198 2.850 7.535 1.00 34.03 H new ATOM 654 N ASP A 41 0.333 9.950 3.541 1.00 72.51 N ATOM 655 CA ASP A 41 0.315 11.128 2.681 1.00 32.45 C ATOM 656 C ASP A 41 -0.512 10.871 1.425 1.00 3.22 C ATOM 657 O ASP A 41 -1.100 11.792 0.858 1.00 0.32 O ATOM 658 CB ASP A 41 1.740 11.526 2.297 1.00 43.34 C ATOM 659 CG ASP A 41 2.044 12.976 2.622 1.00 71.43 C ATOM 660 OD1 ASP A 41 2.138 13.308 3.822 1.00 35.21 O ATOM 661 OD2 ASP A 41 2.189 13.778 1.676 1.00 72.43 O ATOM 0 H ASP A 41 1.265 9.651 3.827 1.00 72.51 H new ATOM 0 HA ASP A 41 -0.145 11.946 3.235 1.00 32.45 H new ATOM 0 HB2 ASP A 41 2.447 10.883 2.821 1.00 43.34 H new ATOM 0 HB3 ASP A 41 1.886 11.357 1.230 1.00 43.34 H new ATOM 666 N TYR A 42 -0.551 9.615 0.995 1.00 4.02 N ATOM 667 CA TYR A 42 -1.302 9.238 -0.196 1.00 60.11 C ATOM 668 C TYR A 42 -1.998 7.894 0.001 1.00 4.51 C ATOM 669 O TYR A 42 -1.359 6.893 0.325 1.00 61.00 O ATOM 670 CB TYR A 42 -0.374 9.171 -1.410 1.00 63.10 C ATOM 671 CG TYR A 42 -1.079 8.784 -2.691 1.00 5.24 C ATOM 672 CD1 TYR A 42 -2.352 9.262 -2.977 1.00 63.42 C ATOM 673 CD2 TYR A 42 -0.472 7.941 -3.613 1.00 72.23 C ATOM 674 CE1 TYR A 42 -3.000 8.910 -4.146 1.00 1.54 C ATOM 675 CE2 TYR A 42 -1.112 7.586 -4.785 1.00 33.32 C ATOM 676 CZ TYR A 42 -2.376 8.073 -5.046 1.00 60.23 C ATOM 677 OH TYR A 42 -3.017 7.720 -6.212 1.00 15.25 O ATOM 0 H TYR A 42 -0.071 8.841 1.454 1.00 4.02 H new ATOM 0 HA TYR A 42 -2.063 9.999 -0.370 1.00 60.11 H new ATOM 0 HB2 TYR A 42 0.103 10.142 -1.546 1.00 63.10 H new ATOM 0 HB3 TYR A 42 0.420 8.451 -1.211 1.00 63.10 H new ATOM 0 HD1 TYR A 42 -2.843 9.919 -2.275 1.00 63.42 H new ATOM 0 HD2 TYR A 42 0.517 7.557 -3.410 1.00 72.23 H new ATOM 0 HE1 TYR A 42 -3.990 9.289 -4.353 1.00 1.54 H new ATOM 0 HE2 TYR A 42 -0.625 6.931 -5.493 1.00 33.32 H new ATOM 0 HH TYR A 42 -3.985 7.819 -6.096 1.00 15.25 H new ATOM 687 N PHE A 43 -3.311 7.881 -0.197 1.00 55.25 N ATOM 688 CA PHE A 43 -4.096 6.662 -0.042 1.00 20.13 C ATOM 689 C PHE A 43 -5.047 6.473 -1.220 1.00 30.22 C ATOM 690 O PHE A 43 -5.964 7.268 -1.424 1.00 55.33 O ATOM 691 CB PHE A 43 -4.889 6.704 1.266 1.00 25.35 C ATOM 692 CG PHE A 43 -5.001 5.367 1.943 1.00 44.25 C ATOM 693 CD1 PHE A 43 -4.894 4.195 1.211 1.00 2.15 C ATOM 694 CD2 PHE A 43 -5.213 5.283 3.309 1.00 13.01 C ATOM 695 CE1 PHE A 43 -4.996 2.963 1.831 1.00 40.55 C ATOM 696 CE2 PHE A 43 -5.316 4.054 3.934 1.00 41.43 C ATOM 697 CZ PHE A 43 -5.208 2.893 3.193 1.00 14.24 C ATOM 0 H PHE A 43 -3.855 8.701 -0.465 1.00 55.25 H new ATOM 0 HA PHE A 43 -3.407 5.818 -0.015 1.00 20.13 H new ATOM 0 HB2 PHE A 43 -4.413 7.409 1.948 1.00 25.35 H new ATOM 0 HB3 PHE A 43 -5.890 7.084 1.063 1.00 25.35 H new ATOM 0 HD1 PHE A 43 -4.729 4.244 0.145 1.00 2.15 H new ATOM 0 HD2 PHE A 43 -5.299 6.188 3.893 1.00 13.01 H new ATOM 0 HE1 PHE A 43 -4.910 2.057 1.250 1.00 40.55 H new ATOM 0 HE2 PHE A 43 -5.481 4.002 5.000 1.00 41.43 H new ATOM 0 HZ PHE A 43 -5.289 1.932 3.679 1.00 14.24 H new ATOM 707 N ILE A 44 -4.820 5.415 -1.991 1.00 55.04 N ATOM 708 CA ILE A 44 -5.657 5.121 -3.148 1.00 63.14 C ATOM 709 C ILE A 44 -5.972 3.631 -3.234 1.00 40.45 C ATOM 710 O ILE A 44 -5.074 2.804 -3.392 1.00 32.12 O ATOM 711 CB ILE A 44 -4.982 5.568 -4.459 1.00 32.02 C ATOM 712 CG1 ILE A 44 -5.707 4.964 -5.663 1.00 55.11 C ATOM 713 CG2 ILE A 44 -3.514 5.168 -4.462 1.00 74.22 C ATOM 714 CD1 ILE A 44 -5.801 5.903 -6.845 1.00 64.15 C ATOM 0 H ILE A 44 -4.064 4.748 -1.836 1.00 55.04 H new ATOM 0 HA ILE A 44 -6.584 5.679 -3.017 1.00 63.14 H new ATOM 0 HB ILE A 44 -5.043 6.654 -4.530 1.00 32.02 H new ATOM 0 HG12 ILE A 44 -5.189 4.056 -5.971 1.00 55.11 H new ATOM 0 HG13 ILE A 44 -6.713 4.670 -5.362 1.00 55.11 H new ATOM 0 HG21 ILE A 44 -3.051 5.491 -5.395 1.00 74.22 H new ATOM 0 HG22 ILE A 44 -3.006 5.642 -3.622 1.00 74.22 H new ATOM 0 HG23 ILE A 44 -3.432 4.085 -4.372 1.00 74.22 H new ATOM 0 HD11 ILE A 44 -6.327 5.408 -7.662 1.00 64.15 H new ATOM 0 HD12 ILE A 44 -6.346 6.801 -6.554 1.00 64.15 H new ATOM 0 HD13 ILE A 44 -4.798 6.177 -7.173 1.00 64.15 H new ATOM 726 N VAL A 45 -7.254 3.297 -3.132 1.00 33.40 N ATOM 727 CA VAL A 45 -7.689 1.907 -3.201 1.00 74.32 C ATOM 728 C VAL A 45 -8.665 1.693 -4.353 1.00 15.13 C ATOM 729 O VAL A 45 -9.501 2.549 -4.639 1.00 12.31 O ATOM 730 CB VAL A 45 -8.358 1.462 -1.887 1.00 21.22 C ATOM 731 CG1 VAL A 45 -8.335 -0.054 -1.763 1.00 34.13 C ATOM 732 CG2 VAL A 45 -7.673 2.113 -0.694 1.00 74.25 C ATOM 0 H VAL A 45 -8.010 3.970 -3.001 1.00 33.40 H new ATOM 0 HA VAL A 45 -6.796 1.304 -3.368 1.00 74.32 H new ATOM 0 HB VAL A 45 -9.399 1.786 -1.901 1.00 21.22 H new ATOM 0 HG11 VAL A 45 -8.812 -0.350 -0.829 1.00 34.13 H new ATOM 0 HG12 VAL A 45 -8.874 -0.496 -2.601 1.00 34.13 H new ATOM 0 HG13 VAL A 45 -7.303 -0.404 -1.770 1.00 34.13 H new ATOM 0 HG21 VAL A 45 -8.158 1.788 0.226 1.00 74.25 H new ATOM 0 HG22 VAL A 45 -6.623 1.821 -0.673 1.00 74.25 H new ATOM 0 HG23 VAL A 45 -7.746 3.197 -0.779 1.00 74.25 H new ATOM 742 N GLY A 46 -8.554 0.543 -5.011 1.00 5.12 N ATOM 743 CA GLY A 46 -9.433 0.237 -6.124 1.00 23.10 C ATOM 744 C GLY A 46 -10.097 -1.118 -5.982 1.00 70.24 C ATOM 745 O GLY A 46 -9.485 -2.068 -5.495 1.00 12.12 O ATOM 0 H GLY A 46 -7.871 -0.182 -4.793 1.00 5.12 H new ATOM 0 HA2 GLY A 46 -10.200 1.008 -6.200 1.00 23.10 H new ATOM 0 HA3 GLY A 46 -8.862 0.263 -7.052 1.00 23.10 H new ATOM 749 N GLU A 47 -11.353 -1.207 -6.408 1.00 72.32 N ATOM 750 CA GLU A 47 -12.101 -2.456 -6.324 1.00 30.35 C ATOM 751 C GLU A 47 -12.354 -3.034 -7.713 1.00 54.00 C ATOM 752 O GLU A 47 -12.754 -2.318 -8.630 1.00 44.43 O ATOM 753 CB GLU A 47 -13.432 -2.232 -5.602 1.00 44.10 C ATOM 754 CG GLU A 47 -14.131 -0.943 -6.001 1.00 63.32 C ATOM 755 CD GLU A 47 -15.442 -0.739 -5.267 1.00 24.12 C ATOM 756 OE1 GLU A 47 -16.118 -1.745 -4.969 1.00 34.20 O ATOM 757 OE2 GLU A 47 -15.790 0.428 -4.990 1.00 31.22 O ATOM 0 H GLU A 47 -11.874 -0.430 -6.814 1.00 72.32 H new ATOM 0 HA GLU A 47 -11.504 -3.169 -5.756 1.00 30.35 H new ATOM 0 HB2 GLU A 47 -14.094 -3.073 -5.808 1.00 44.10 H new ATOM 0 HB3 GLU A 47 -13.255 -2.222 -4.526 1.00 44.10 H new ATOM 0 HG2 GLU A 47 -13.471 -0.099 -5.800 1.00 63.32 H new ATOM 0 HG3 GLU A 47 -14.318 -0.953 -7.075 1.00 63.32 H new ATOM 764 N GLU A 48 -12.119 -4.334 -7.859 1.00 23.10 N ATOM 765 CA GLU A 48 -12.320 -5.008 -9.137 1.00 0.44 C ATOM 766 C GLU A 48 -13.243 -6.213 -8.977 1.00 4.50 C ATOM 767 O GLU A 48 -12.877 -7.211 -8.358 1.00 44.22 O ATOM 768 CB GLU A 48 -10.978 -5.453 -9.721 1.00 23.04 C ATOM 769 CG GLU A 48 -11.111 -6.299 -10.976 1.00 2.21 C ATOM 770 CD GLU A 48 -12.065 -5.695 -11.988 1.00 34.14 C ATOM 771 OE1 GLU A 48 -11.911 -4.497 -12.307 1.00 31.53 O ATOM 772 OE2 GLU A 48 -12.966 -6.419 -12.460 1.00 31.40 O ATOM 0 H GLU A 48 -11.789 -4.941 -7.109 1.00 23.10 H new ATOM 0 HA GLU A 48 -12.789 -4.301 -9.822 1.00 0.44 H new ATOM 0 HB2 GLU A 48 -10.380 -4.571 -9.949 1.00 23.04 H new ATOM 0 HB3 GLU A 48 -10.433 -6.020 -8.966 1.00 23.04 H new ATOM 0 HG2 GLU A 48 -10.129 -6.419 -11.434 1.00 2.21 H new ATOM 0 HG3 GLU A 48 -11.460 -7.295 -10.703 1.00 2.21 H new ATOM 779 N GLY A 49 -14.443 -6.110 -9.540 1.00 61.32 N ATOM 780 CA GLY A 49 -15.400 -7.197 -9.449 1.00 30.30 C ATOM 781 C GLY A 49 -16.572 -7.019 -10.394 1.00 65.12 C ATOM 782 O GLY A 49 -17.698 -7.398 -10.076 1.00 24.51 O ATOM 0 H GLY A 49 -14.769 -5.294 -10.057 1.00 61.32 H new ATOM 0 HA2 GLY A 49 -14.898 -8.139 -9.671 1.00 30.30 H new ATOM 0 HA3 GLY A 49 -15.770 -7.267 -8.426 1.00 30.30 H new ATOM 786 N ASN A 50 -16.306 -6.438 -11.560 1.00 33.41 N ATOM 787 CA ASN A 50 -17.348 -6.208 -12.554 1.00 34.31 C ATOM 788 C ASN A 50 -17.344 -7.308 -13.611 1.00 61.13 C ATOM 789 O ASN A 50 -17.551 -7.044 -14.795 1.00 62.53 O ATOM 790 CB ASN A 50 -17.155 -4.844 -13.220 1.00 31.43 C ATOM 791 CG ASN A 50 -18.469 -4.124 -13.453 1.00 43.34 C ATOM 792 OD1 ASN A 50 -18.777 -3.720 -14.575 1.00 32.22 O ATOM 793 ND2 ASN A 50 -19.250 -3.959 -12.392 1.00 43.51 N ATOM 0 H ASN A 50 -15.379 -6.118 -11.839 1.00 33.41 H new ATOM 0 HA ASN A 50 -18.311 -6.222 -12.044 1.00 34.31 H new ATOM 0 HB2 ASN A 50 -16.511 -4.225 -12.595 1.00 31.43 H new ATOM 0 HB3 ASN A 50 -16.643 -4.977 -14.173 1.00 31.43 H new ATOM 0 HD21 ASN A 50 -20.146 -3.481 -12.488 1.00 43.51 H new ATOM 0 HD22 ASN A 50 -18.954 -4.310 -11.481 1.00 43.51 H new ATOM 800 N GLU A 51 -17.107 -8.541 -13.174 1.00 71.01 N ATOM 801 CA GLU A 51 -17.076 -9.680 -14.084 1.00 24.44 C ATOM 802 C GLU A 51 -17.738 -10.901 -13.450 1.00 42.42 C ATOM 803 O GLU A 51 -17.181 -11.522 -12.546 1.00 2.44 O ATOM 804 CB GLU A 51 -15.633 -10.013 -14.471 1.00 10.34 C ATOM 805 CG GLU A 51 -15.135 -9.242 -15.681 1.00 44.52 C ATOM 806 CD GLU A 51 -14.648 -10.151 -16.792 1.00 62.35 C ATOM 807 OE1 GLU A 51 -14.055 -11.205 -16.481 1.00 2.15 O ATOM 808 OE2 GLU A 51 -14.861 -9.809 -17.975 1.00 5.14 O ATOM 0 H GLU A 51 -16.934 -8.776 -12.197 1.00 71.01 H new ATOM 0 HA GLU A 51 -17.633 -9.410 -14.981 1.00 24.44 H new ATOM 0 HB2 GLU A 51 -14.981 -9.803 -13.623 1.00 10.34 H new ATOM 0 HB3 GLU A 51 -15.558 -11.081 -14.675 1.00 10.34 H new ATOM 0 HG2 GLU A 51 -15.938 -8.610 -16.060 1.00 44.52 H new ATOM 0 HG3 GLU A 51 -14.324 -8.580 -15.377 1.00 44.52 H new ATOM 815 N GLU A 52 -18.930 -11.237 -13.932 1.00 52.34 N ATOM 816 CA GLU A 52 -19.669 -12.381 -13.412 1.00 63.43 C ATOM 817 C GLU A 52 -18.819 -13.648 -13.467 1.00 50.33 C ATOM 818 O GLU A 52 -17.988 -13.812 -14.359 1.00 61.53 O ATOM 819 CB GLU A 52 -20.961 -12.586 -14.206 1.00 22.20 C ATOM 820 CG GLU A 52 -22.207 -12.630 -13.338 1.00 75.15 C ATOM 821 CD GLU A 52 -23.401 -11.966 -13.998 1.00 22.40 C ATOM 822 OE1 GLU A 52 -23.552 -10.736 -13.848 1.00 12.31 O ATOM 823 OE2 GLU A 52 -24.183 -12.677 -14.663 1.00 41.34 O ATOM 0 H GLU A 52 -19.404 -10.733 -14.682 1.00 52.34 H new ATOM 0 HA GLU A 52 -19.920 -12.176 -12.371 1.00 63.43 H new ATOM 0 HB2 GLU A 52 -21.063 -11.780 -14.933 1.00 22.20 H new ATOM 0 HB3 GLU A 52 -20.888 -13.516 -14.770 1.00 22.20 H new ATOM 0 HG2 GLU A 52 -22.452 -13.668 -13.112 1.00 75.15 H new ATOM 0 HG3 GLU A 52 -22.001 -12.137 -12.388 1.00 75.15 H new ATOM 830 N GLY A 53 -19.034 -14.540 -12.505 1.00 71.24 N ATOM 831 CA GLY A 53 -18.281 -15.780 -12.461 1.00 42.25 C ATOM 832 C GLY A 53 -17.061 -15.686 -11.566 1.00 52.42 C ATOM 833 O GLY A 53 -16.537 -16.702 -11.111 1.00 60.32 O ATOM 0 H GLY A 53 -19.716 -14.426 -11.755 1.00 71.24 H new ATOM 0 HA2 GLY A 53 -18.928 -16.582 -12.105 1.00 42.25 H new ATOM 0 HA3 GLY A 53 -17.968 -16.047 -13.470 1.00 42.25 H new ATOM 837 N ARG A 54 -16.607 -14.462 -11.314 1.00 33.20 N ATOM 838 CA ARG A 54 -15.440 -14.240 -10.470 1.00 2.53 C ATOM 839 C ARG A 54 -15.781 -13.318 -9.302 1.00 41.03 C ATOM 840 O ARG A 54 -16.630 -12.434 -9.422 1.00 33.33 O ATOM 841 CB ARG A 54 -14.297 -13.639 -11.291 1.00 13.23 C ATOM 842 CG ARG A 54 -13.010 -13.461 -10.503 1.00 44.42 C ATOM 843 CD ARG A 54 -11.789 -13.528 -11.408 1.00 53.52 C ATOM 844 NE ARG A 54 -10.888 -12.398 -11.196 1.00 53.14 N ATOM 845 CZ ARG A 54 -9.847 -12.132 -11.977 1.00 40.02 C ATOM 846 NH1 ARG A 54 -9.577 -12.910 -13.016 1.00 73.40 N ATOM 847 NH2 ARG A 54 -9.073 -11.085 -11.720 1.00 33.23 N ATOM 0 H ARG A 54 -17.030 -13.610 -11.682 1.00 33.20 H new ATOM 0 HA ARG A 54 -15.124 -15.203 -10.070 1.00 2.53 H new ATOM 0 HB2 ARG A 54 -14.101 -14.281 -12.150 1.00 13.23 H new ATOM 0 HB3 ARG A 54 -14.611 -12.671 -11.681 1.00 13.23 H new ATOM 0 HG2 ARG A 54 -13.029 -12.502 -9.986 1.00 44.42 H new ATOM 0 HG3 ARG A 54 -12.940 -14.235 -9.738 1.00 44.42 H new ATOM 0 HD2 ARG A 54 -11.252 -14.459 -11.225 1.00 53.52 H new ATOM 0 HD3 ARG A 54 -12.110 -13.545 -12.449 1.00 53.52 H new ATOM 0 HE ARG A 54 -11.068 -11.779 -10.405 1.00 53.14 H new ATOM 0 HH11 ARG A 54 -10.169 -13.715 -13.218 1.00 73.40 H new ATOM 0 HH12 ARG A 54 -8.777 -12.703 -13.614 1.00 73.40 H new ATOM 0 HH21 ARG A 54 -9.277 -10.483 -10.922 1.00 33.23 H new ATOM 0 HH22 ARG A 54 -8.274 -10.882 -12.321 1.00 33.23 H new ATOM 861 N THR A 55 -15.113 -13.530 -8.172 1.00 71.45 N ATOM 862 CA THR A 55 -15.346 -12.721 -6.983 1.00 52.12 C ATOM 863 C THR A 55 -14.529 -11.435 -7.025 1.00 11.32 C ATOM 864 O THR A 55 -13.533 -11.327 -7.740 1.00 4.42 O ATOM 865 CB THR A 55 -14.997 -13.496 -5.699 1.00 31.13 C ATOM 866 OG1 THR A 55 -14.183 -14.630 -6.017 1.00 24.11 O ATOM 867 CG2 THR A 55 -16.259 -13.956 -4.984 1.00 61.14 C ATOM 0 H THR A 55 -14.406 -14.256 -8.056 1.00 71.45 H new ATOM 0 HA THR A 55 -16.408 -12.474 -6.972 1.00 52.12 H new ATOM 0 HB THR A 55 -14.446 -12.828 -5.037 1.00 31.13 H new ATOM 0 HG1 THR A 55 -13.964 -15.116 -5.195 1.00 24.11 H new ATOM 0 HG21 THR A 55 -15.987 -14.501 -4.080 1.00 61.14 H new ATOM 0 HG22 THR A 55 -16.863 -13.089 -4.717 1.00 61.14 H new ATOM 0 HG23 THR A 55 -16.833 -14.608 -5.642 1.00 61.14 H new ATOM 875 N PRO A 56 -14.958 -10.435 -6.240 1.00 42.34 N ATOM 876 CA PRO A 56 -14.279 -9.138 -6.169 1.00 42.53 C ATOM 877 C PRO A 56 -12.923 -9.230 -5.477 1.00 51.03 C ATOM 878 O PRO A 56 -12.781 -9.904 -4.456 1.00 44.43 O ATOM 879 CB PRO A 56 -15.242 -8.278 -5.346 1.00 44.25 C ATOM 880 CG PRO A 56 -16.010 -9.252 -4.523 1.00 33.42 C ATOM 881 CD PRO A 56 -16.138 -10.494 -5.362 1.00 12.41 C ATOM 0 HA PRO A 56 -14.066 -8.735 -7.159 1.00 42.53 H new ATOM 0 HB2 PRO A 56 -14.702 -7.569 -4.719 1.00 44.25 H new ATOM 0 HB3 PRO A 56 -15.902 -7.696 -5.990 1.00 44.25 H new ATOM 0 HG2 PRO A 56 -15.493 -9.465 -3.587 1.00 33.42 H new ATOM 0 HG3 PRO A 56 -16.991 -8.855 -4.262 1.00 33.42 H new ATOM 0 HD2 PRO A 56 -16.138 -11.395 -4.749 1.00 12.41 H new ATOM 0 HD3 PRO A 56 -17.065 -10.498 -5.935 1.00 12.41 H new ATOM 889 N HIS A 57 -11.929 -8.549 -6.039 1.00 54.20 N ATOM 890 CA HIS A 57 -10.584 -8.554 -5.475 1.00 14.44 C ATOM 891 C HIS A 57 -10.163 -7.146 -5.063 1.00 31.33 C ATOM 892 O HIS A 57 -10.483 -6.168 -5.739 1.00 55.02 O ATOM 893 CB HIS A 57 -9.587 -9.122 -6.484 1.00 61.32 C ATOM 894 CG HIS A 57 -8.162 -9.034 -6.033 1.00 5.32 C ATOM 895 ND1 HIS A 57 -7.510 -10.065 -5.390 1.00 33.12 N ATOM 896 CD2 HIS A 57 -7.261 -8.029 -6.136 1.00 41.45 C ATOM 897 CE1 HIS A 57 -6.271 -9.698 -5.116 1.00 13.42 C ATOM 898 NE2 HIS A 57 -6.094 -8.466 -5.559 1.00 13.00 N ATOM 0 H HIS A 57 -12.030 -7.987 -6.884 1.00 54.20 H new ATOM 0 HA HIS A 57 -10.591 -9.187 -4.588 1.00 14.44 H new ATOM 0 HB2 HIS A 57 -9.834 -10.166 -6.678 1.00 61.32 H new ATOM 0 HB3 HIS A 57 -9.694 -8.588 -7.428 1.00 61.32 H new ATOM 0 HD1 HIS A 57 -7.921 -10.970 -5.161 1.00 33.12 H new ATOM 0 HD2 HIS A 57 -7.429 -7.063 -6.588 1.00 41.45 H new ATOM 0 HE1 HIS A 57 -5.529 -10.302 -4.615 1.00 13.42 H new ATOM 906 N LEU A 58 -9.444 -7.051 -3.950 1.00 33.23 N ATOM 907 CA LEU A 58 -8.979 -5.763 -3.447 1.00 33.12 C ATOM 908 C LEU A 58 -7.569 -5.461 -3.944 1.00 31.44 C ATOM 909 O LEU A 58 -6.682 -6.311 -3.874 1.00 23.24 O ATOM 910 CB LEU A 58 -9.007 -5.750 -1.917 1.00 72.44 C ATOM 911 CG LEU A 58 -9.824 -4.631 -1.270 1.00 61.42 C ATOM 912 CD1 LEU A 58 -9.639 -4.640 0.239 1.00 33.23 C ATOM 913 CD2 LEU A 58 -9.430 -3.280 -1.850 1.00 34.44 C ATOM 0 H LEU A 58 -9.170 -7.850 -3.379 1.00 33.23 H new ATOM 0 HA LEU A 58 -9.650 -4.991 -3.823 1.00 33.12 H new ATOM 0 HB2 LEU A 58 -9.401 -6.706 -1.573 1.00 72.44 H new ATOM 0 HB3 LEU A 58 -7.981 -5.679 -1.555 1.00 72.44 H new ATOM 0 HG LEU A 58 -10.878 -4.804 -1.487 1.00 61.42 H new ATOM 0 HD11 LEU A 58 -10.228 -3.837 0.683 1.00 33.23 H new ATOM 0 HD12 LEU A 58 -9.971 -5.598 0.641 1.00 33.23 H new ATOM 0 HD13 LEU A 58 -8.586 -4.492 0.477 1.00 33.23 H new ATOM 0 HD21 LEU A 58 -10.021 -2.495 -1.378 1.00 34.44 H new ATOM 0 HD22 LEU A 58 -8.371 -3.099 -1.663 1.00 34.44 H new ATOM 0 HD23 LEU A 58 -9.615 -3.277 -2.924 1.00 34.44 H new ATOM 925 N GLN A 59 -7.371 -4.246 -4.443 1.00 43.21 N ATOM 926 CA GLN A 59 -6.068 -3.832 -4.950 1.00 24.11 C ATOM 927 C GLN A 59 -5.892 -2.322 -4.832 1.00 52.31 C ATOM 928 O GLN A 59 -6.563 -1.553 -5.520 1.00 31.33 O ATOM 929 CB GLN A 59 -5.903 -4.264 -6.408 1.00 32.41 C ATOM 930 CG GLN A 59 -4.723 -3.610 -7.107 1.00 42.12 C ATOM 931 CD GLN A 59 -3.396 -3.961 -6.464 1.00 64.03 C ATOM 932 OE1 GLN A 59 -2.816 -5.011 -6.744 1.00 5.40 O ATOM 933 NE2 GLN A 59 -2.907 -3.082 -5.597 1.00 22.31 N ATOM 0 H GLN A 59 -8.096 -3.531 -4.507 1.00 43.21 H new ATOM 0 HA GLN A 59 -5.301 -4.317 -4.346 1.00 24.11 H new ATOM 0 HB2 GLN A 59 -5.782 -5.347 -6.446 1.00 32.41 H new ATOM 0 HB3 GLN A 59 -6.816 -4.026 -6.954 1.00 32.41 H new ATOM 0 HG2 GLN A 59 -4.709 -3.918 -8.152 1.00 42.12 H new ATOM 0 HG3 GLN A 59 -4.853 -2.528 -7.095 1.00 42.12 H new ATOM 0 HE21 GLN A 59 -3.421 -2.225 -5.395 1.00 22.31 H new ATOM 0 HE22 GLN A 59 -2.017 -3.264 -5.133 1.00 22.31 H new ATOM 942 N GLY A 60 -4.985 -1.903 -3.955 1.00 11.32 N ATOM 943 CA GLY A 60 -4.738 -0.486 -3.763 1.00 13.44 C ATOM 944 C GLY A 60 -3.330 -0.203 -3.278 1.00 12.23 C ATOM 945 O GLY A 60 -2.580 -1.124 -2.956 1.00 20.35 O ATOM 0 H GLY A 60 -4.417 -2.520 -3.374 1.00 11.32 H new ATOM 0 HA2 GLY A 60 -4.908 0.040 -4.703 1.00 13.44 H new ATOM 0 HA3 GLY A 60 -5.454 -0.090 -3.042 1.00 13.44 H new ATOM 949 N PHE A 61 -2.969 1.075 -3.227 1.00 10.01 N ATOM 950 CA PHE A 61 -1.640 1.477 -2.780 1.00 72.34 C ATOM 951 C PHE A 61 -1.729 2.587 -1.738 1.00 13.50 C ATOM 952 O PHE A 61 -2.556 3.492 -1.849 1.00 13.15 O ATOM 953 CB PHE A 61 -0.799 1.944 -3.970 1.00 11.51 C ATOM 954 CG PHE A 61 0.436 2.700 -3.570 1.00 51.34 C ATOM 955 CD1 PHE A 61 1.376 2.123 -2.732 1.00 44.43 C ATOM 956 CD2 PHE A 61 0.657 3.987 -4.034 1.00 14.45 C ATOM 957 CE1 PHE A 61 2.513 2.817 -2.363 1.00 2.13 C ATOM 958 CE2 PHE A 61 1.792 4.686 -3.668 1.00 31.14 C ATOM 959 CZ PHE A 61 2.722 4.099 -2.832 1.00 12.32 C ATOM 0 H PHE A 61 -3.578 1.850 -3.490 1.00 10.01 H new ATOM 0 HA PHE A 61 -1.160 0.612 -2.322 1.00 72.34 H new ATOM 0 HB2 PHE A 61 -0.509 1.076 -4.562 1.00 11.51 H new ATOM 0 HB3 PHE A 61 -1.412 2.577 -4.612 1.00 11.51 H new ATOM 0 HD1 PHE A 61 1.219 1.120 -2.363 1.00 44.43 H new ATOM 0 HD2 PHE A 61 -0.066 4.449 -4.689 1.00 14.45 H new ATOM 0 HE1 PHE A 61 3.238 2.357 -1.708 1.00 2.13 H new ATOM 0 HE2 PHE A 61 1.951 5.689 -4.035 1.00 31.14 H new ATOM 0 HZ PHE A 61 3.611 4.642 -2.546 1.00 12.32 H new ATOM 969 N ALA A 62 -0.872 2.511 -0.726 1.00 23.14 N ATOM 970 CA ALA A 62 -0.852 3.509 0.336 1.00 41.50 C ATOM 971 C ALA A 62 0.575 3.942 0.657 1.00 70.43 C ATOM 972 O ALA A 62 1.436 3.110 0.940 1.00 43.23 O ATOM 973 CB ALA A 62 -1.534 2.967 1.583 1.00 12.42 C ATOM 0 H ALA A 62 -0.182 1.768 -0.619 1.00 23.14 H new ATOM 0 HA ALA A 62 -1.399 4.385 -0.013 1.00 41.50 H new ATOM 0 HB1 ALA A 62 -1.512 3.723 2.368 1.00 12.42 H new ATOM 0 HB2 ALA A 62 -2.569 2.715 1.351 1.00 12.42 H new ATOM 0 HB3 ALA A 62 -1.011 2.074 1.925 1.00 12.42 H new ATOM 979 N ASN A 63 0.818 5.248 0.610 1.00 74.55 N ATOM 980 CA ASN A 63 2.141 5.790 0.894 1.00 62.30 C ATOM 981 C ASN A 63 2.280 6.138 2.373 1.00 50.42 C ATOM 982 O ASN A 63 1.598 7.030 2.878 1.00 2.40 O ATOM 983 CB ASN A 63 2.401 7.032 0.039 1.00 31.21 C ATOM 984 CG ASN A 63 3.814 7.558 0.199 1.00 40.43 C ATOM 985 OD1 ASN A 63 4.277 7.796 1.314 1.00 4.32 O ATOM 986 ND2 ASN A 63 4.506 7.743 -0.919 1.00 41.44 N ATOM 0 H ASN A 63 0.116 5.950 0.378 1.00 74.55 H new ATOM 0 HA ASN A 63 2.879 5.027 0.648 1.00 62.30 H new ATOM 0 HB2 ASN A 63 2.222 6.792 -1.009 1.00 31.21 H new ATOM 0 HB3 ASN A 63 1.692 7.813 0.313 1.00 31.21 H new ATOM 0 HD21 ASN A 63 5.462 8.096 -0.875 1.00 41.44 H new ATOM 0 HD22 ASN A 63 4.082 7.532 -1.822 1.00 41.44 H new ATOM 993 N PHE A 64 3.168 5.429 3.062 1.00 72.15 N ATOM 994 CA PHE A 64 3.396 5.663 4.483 1.00 64.43 C ATOM 995 C PHE A 64 4.108 6.993 4.707 1.00 2.54 C ATOM 996 O PHE A 64 5.143 7.268 4.099 1.00 30.53 O ATOM 997 CB PHE A 64 4.222 4.522 5.082 1.00 13.34 C ATOM 998 CG PHE A 64 3.420 3.595 5.950 1.00 25.43 C ATOM 999 CD1 PHE A 64 3.211 3.885 7.289 1.00 24.30 C ATOM 1000 CD2 PHE A 64 2.876 2.433 5.428 1.00 70.35 C ATOM 1001 CE1 PHE A 64 2.475 3.032 8.090 1.00 42.21 C ATOM 1002 CE2 PHE A 64 2.138 1.577 6.224 1.00 64.44 C ATOM 1003 CZ PHE A 64 1.937 1.877 7.556 1.00 0.53 C ATOM 0 H PHE A 64 3.741 4.688 2.659 1.00 72.15 H new ATOM 0 HA PHE A 64 2.427 5.702 4.980 1.00 64.43 H new ATOM 0 HB2 PHE A 64 4.676 3.949 4.273 1.00 13.34 H new ATOM 0 HB3 PHE A 64 5.037 4.944 5.670 1.00 13.34 H new ATOM 0 HD1 PHE A 64 3.628 4.787 7.711 1.00 24.30 H new ATOM 0 HD2 PHE A 64 3.030 2.193 4.386 1.00 70.35 H new ATOM 0 HE1 PHE A 64 2.321 3.268 9.132 1.00 42.21 H new ATOM 0 HE2 PHE A 64 1.719 0.674 5.804 1.00 64.44 H new ATOM 0 HZ PHE A 64 1.360 1.210 8.180 1.00 0.53 H new ATOM 1013 N VAL A 65 3.545 7.818 5.585 1.00 25.13 N ATOM 1014 CA VAL A 65 4.125 9.120 5.892 1.00 43.13 C ATOM 1015 C VAL A 65 5.529 8.975 6.469 1.00 72.41 C ATOM 1016 O VAL A 65 6.351 9.886 6.370 1.00 15.25 O ATOM 1017 CB VAL A 65 3.251 9.903 6.889 1.00 53.44 C ATOM 1018 CG1 VAL A 65 3.974 11.153 7.367 1.00 24.20 C ATOM 1019 CG2 VAL A 65 1.913 10.260 6.257 1.00 5.54 C ATOM 0 H VAL A 65 2.688 7.607 6.096 1.00 25.13 H new ATOM 0 HA VAL A 65 4.176 9.672 4.954 1.00 43.13 H new ATOM 0 HB VAL A 65 3.061 9.269 7.755 1.00 53.44 H new ATOM 0 HG11 VAL A 65 3.341 11.693 8.071 1.00 24.20 H new ATOM 0 HG12 VAL A 65 4.904 10.869 7.860 1.00 24.20 H new ATOM 0 HG13 VAL A 65 4.196 11.794 6.514 1.00 24.20 H new ATOM 0 HG21 VAL A 65 1.307 10.813 6.975 1.00 5.54 H new ATOM 0 HG22 VAL A 65 2.081 10.876 5.373 1.00 5.54 H new ATOM 0 HG23 VAL A 65 1.391 9.347 5.969 1.00 5.54 H new ATOM 1029 N LYS A 66 5.798 7.822 7.072 1.00 60.53 N ATOM 1030 CA LYS A 66 7.103 7.554 7.664 1.00 21.32 C ATOM 1031 C LYS A 66 7.685 6.248 7.132 1.00 51.24 C ATOM 1032 O LYS A 66 7.114 5.620 6.239 1.00 3.34 O ATOM 1033 CB LYS A 66 6.990 7.490 9.189 1.00 23.51 C ATOM 1034 CG LYS A 66 5.851 6.612 9.678 1.00 11.33 C ATOM 1035 CD LYS A 66 4.598 7.427 9.954 1.00 44.21 C ATOM 1036 CE LYS A 66 4.549 7.902 11.398 1.00 31.11 C ATOM 1037 NZ LYS A 66 3.709 9.122 11.552 1.00 5.24 N ATOM 0 H LYS A 66 5.129 7.058 7.164 1.00 60.53 H new ATOM 0 HA LYS A 66 7.773 8.368 7.388 1.00 21.32 H new ATOM 0 HB2 LYS A 66 7.928 7.116 9.599 1.00 23.51 H new ATOM 0 HB3 LYS A 66 6.852 8.499 9.577 1.00 23.51 H new ATOM 0 HG2 LYS A 66 5.632 5.848 8.931 1.00 11.33 H new ATOM 0 HG3 LYS A 66 6.155 6.092 10.586 1.00 11.33 H new ATOM 0 HD2 LYS A 66 4.568 8.287 9.286 1.00 44.21 H new ATOM 0 HD3 LYS A 66 3.716 6.824 9.738 1.00 44.21 H new ATOM 0 HE2 LYS A 66 4.153 7.106 12.029 1.00 31.11 H new ATOM 0 HE3 LYS A 66 5.561 8.111 11.746 1.00 31.11 H new ATOM 0 HZ1 LYS A 66 3.701 9.414 12.550 1.00 5.24 H new ATOM 0 HZ2 LYS A 66 4.101 9.889 10.970 1.00 5.24 H new ATOM 0 HZ3 LYS A 66 2.737 8.916 11.244 1.00 5.24 H new ATOM 1051 N LYS A 67 8.823 5.844 7.685 1.00 21.30 N ATOM 1052 CA LYS A 67 9.482 4.611 7.268 1.00 14.43 C ATOM 1053 C LYS A 67 8.982 3.424 8.086 1.00 41.33 C ATOM 1054 O LYS A 67 9.076 3.422 9.313 1.00 60.53 O ATOM 1055 CB LYS A 67 10.999 4.744 7.417 1.00 51.21 C ATOM 1056 CG LYS A 67 11.583 5.926 6.662 1.00 31.12 C ATOM 1057 CD LYS A 67 11.791 5.601 5.192 1.00 11.24 C ATOM 1058 CE LYS A 67 12.978 6.358 4.617 1.00 24.32 C ATOM 1059 NZ LYS A 67 12.630 7.767 4.286 1.00 45.14 N ATOM 0 H LYS A 67 9.309 6.352 8.424 1.00 21.30 H new ATOM 0 HA LYS A 67 9.240 4.435 6.220 1.00 14.43 H new ATOM 0 HB2 LYS A 67 11.245 4.842 8.474 1.00 51.21 H new ATOM 0 HB3 LYS A 67 11.472 3.828 7.063 1.00 51.21 H new ATOM 0 HG2 LYS A 67 10.917 6.784 6.755 1.00 31.12 H new ATOM 0 HG3 LYS A 67 12.535 6.211 7.111 1.00 31.12 H new ATOM 0 HD2 LYS A 67 11.950 4.529 5.074 1.00 11.24 H new ATOM 0 HD3 LYS A 67 10.891 5.853 4.631 1.00 11.24 H new ATOM 0 HE2 LYS A 67 13.799 6.346 5.334 1.00 24.32 H new ATOM 0 HE3 LYS A 67 13.332 5.851 3.719 1.00 24.32 H new ATOM 0 HZ1 LYS A 67 13.466 8.249 3.897 1.00 45.14 H new ATOM 0 HZ2 LYS A 67 11.864 7.779 3.582 1.00 45.14 H new ATOM 0 HZ3 LYS A 67 12.317 8.259 5.147 1.00 45.14 H new ATOM 1073 N GLN A 68 8.453 2.418 7.397 1.00 0.20 N ATOM 1074 CA GLN A 68 7.940 1.225 8.061 1.00 51.44 C ATOM 1075 C GLN A 68 8.401 -0.038 7.342 1.00 60.22 C ATOM 1076 O GLN A 68 8.683 -0.016 6.143 1.00 21.42 O ATOM 1077 CB GLN A 68 6.412 1.265 8.118 1.00 51.35 C ATOM 1078 CG GLN A 68 5.863 2.445 8.903 1.00 51.52 C ATOM 1079 CD GLN A 68 6.496 2.579 10.274 1.00 52.31 C ATOM 1080 OE1 GLN A 68 6.871 3.675 10.693 1.00 63.42 O ATOM 1081 NE2 GLN A 68 6.617 1.462 10.982 1.00 44.34 N ATOM 0 H GLN A 68 8.368 2.405 6.381 1.00 0.20 H new ATOM 0 HA GLN A 68 8.334 1.207 9.077 1.00 51.44 H new ATOM 0 HB2 GLN A 68 6.020 1.301 7.102 1.00 51.35 H new ATOM 0 HB3 GLN A 68 6.049 0.340 8.567 1.00 51.35 H new ATOM 0 HG2 GLN A 68 6.031 3.362 8.338 1.00 51.52 H new ATOM 0 HG3 GLN A 68 4.785 2.332 9.014 1.00 51.52 H new ATOM 0 HE21 GLN A 68 6.293 0.576 10.596 1.00 44.34 H new ATOM 0 HE22 GLN A 68 7.034 1.491 11.912 1.00 44.34 H new ATOM 1090 N THR A 69 8.476 -1.140 8.082 1.00 62.22 N ATOM 1091 CA THR A 69 8.904 -2.413 7.516 1.00 65.10 C ATOM 1092 C THR A 69 7.709 -3.244 7.064 1.00 50.22 C ATOM 1093 O THR A 69 6.559 -2.890 7.326 1.00 3.32 O ATOM 1094 CB THR A 69 9.729 -3.229 8.529 1.00 34.53 C ATOM 1095 OG1 THR A 69 8.858 -3.848 9.483 1.00 24.05 O ATOM 1096 CG2 THR A 69 10.732 -2.342 9.251 1.00 72.22 C ATOM 0 H THR A 69 8.246 -1.176 9.075 1.00 62.22 H new ATOM 0 HA THR A 69 9.528 -2.181 6.653 1.00 65.10 H new ATOM 0 HB THR A 69 10.276 -3.998 7.983 1.00 34.53 H new ATOM 0 HG1 THR A 69 9.263 -3.801 10.374 1.00 24.05 H new ATOM 0 HG21 THR A 69 11.302 -2.941 9.961 1.00 72.22 H new ATOM 0 HG22 THR A 69 11.411 -1.895 8.525 1.00 72.22 H new ATOM 0 HG23 THR A 69 10.202 -1.553 9.785 1.00 72.22 H new ATOM 1104 N PHE A 70 7.987 -4.351 6.383 1.00 1.05 N ATOM 1105 CA PHE A 70 6.934 -5.233 5.894 1.00 14.34 C ATOM 1106 C PHE A 70 6.122 -5.805 7.053 1.00 53.32 C ATOM 1107 O PHE A 70 4.897 -5.696 7.079 1.00 34.31 O ATOM 1108 CB PHE A 70 7.535 -6.371 5.067 1.00 11.22 C ATOM 1109 CG PHE A 70 6.596 -7.526 4.865 1.00 3.13 C ATOM 1110 CD1 PHE A 70 5.445 -7.376 4.110 1.00 53.05 C ATOM 1111 CD2 PHE A 70 6.865 -8.761 5.432 1.00 62.52 C ATOM 1112 CE1 PHE A 70 4.579 -8.437 3.921 1.00 10.03 C ATOM 1113 CE2 PHE A 70 6.004 -9.826 5.247 1.00 75.03 C ATOM 1114 CZ PHE A 70 4.858 -9.663 4.492 1.00 64.33 C ATOM 0 H PHE A 70 8.933 -4.658 6.157 1.00 1.05 H new ATOM 0 HA PHE A 70 6.268 -4.646 5.261 1.00 14.34 H new ATOM 0 HB2 PHE A 70 7.835 -5.983 4.094 1.00 11.22 H new ATOM 0 HB3 PHE A 70 8.439 -6.730 5.560 1.00 11.22 H new ATOM 0 HD1 PHE A 70 5.221 -6.419 3.663 1.00 53.05 H new ATOM 0 HD2 PHE A 70 7.758 -8.893 6.025 1.00 62.52 H new ATOM 0 HE1 PHE A 70 3.686 -8.307 3.328 1.00 10.03 H new ATOM 0 HE2 PHE A 70 6.226 -10.785 5.692 1.00 75.03 H new ATOM 0 HZ PHE A 70 4.182 -10.493 4.349 1.00 64.33 H new ATOM 1124 N ASN A 71 6.815 -6.415 8.009 1.00 53.31 N ATOM 1125 CA ASN A 71 6.159 -7.005 9.170 1.00 71.31 C ATOM 1126 C ASN A 71 5.415 -5.943 9.973 1.00 33.13 C ATOM 1127 O ASN A 71 4.296 -6.168 10.435 1.00 55.05 O ATOM 1128 CB ASN A 71 7.187 -7.707 10.060 1.00 34.11 C ATOM 1129 CG ASN A 71 8.009 -8.729 9.299 1.00 41.32 C ATOM 1130 OD1 ASN A 71 7.555 -9.845 9.047 1.00 54.20 O ATOM 1131 ND2 ASN A 71 9.227 -8.350 8.929 1.00 60.43 N ATOM 0 H ASN A 71 7.830 -6.514 8.003 1.00 53.31 H new ATOM 0 HA ASN A 71 5.435 -7.738 8.814 1.00 71.31 H new ATOM 0 HB2 ASN A 71 7.852 -6.963 10.498 1.00 34.11 H new ATOM 0 HB3 ASN A 71 6.673 -8.200 10.885 1.00 34.11 H new ATOM 0 HD21 ASN A 71 9.827 -8.994 8.414 1.00 60.43 H new ATOM 0 HD22 ASN A 71 9.562 -7.415 9.160 1.00 60.43 H new ATOM 1138 N LYS A 72 6.044 -4.784 10.137 1.00 73.14 N ATOM 1139 CA LYS A 72 5.442 -3.685 10.882 1.00 1.12 C ATOM 1140 C LYS A 72 4.193 -3.167 10.176 1.00 63.44 C ATOM 1141 O LYS A 72 3.138 -3.015 10.791 1.00 40.40 O ATOM 1142 CB LYS A 72 6.451 -2.547 11.056 1.00 32.34 C ATOM 1143 CG LYS A 72 6.272 -1.768 12.348 1.00 61.40 C ATOM 1144 CD LYS A 72 4.864 -1.211 12.473 1.00 60.03 C ATOM 1145 CE LYS A 72 4.737 -0.279 13.668 1.00 45.32 C ATOM 1146 NZ LYS A 72 5.242 -0.909 14.919 1.00 32.21 N ATOM 0 H LYS A 72 6.971 -4.582 9.764 1.00 73.14 H new ATOM 0 HA LYS A 72 5.153 -4.061 11.864 1.00 1.12 H new ATOM 0 HB2 LYS A 72 7.460 -2.959 11.027 1.00 32.34 H new ATOM 0 HB3 LYS A 72 6.362 -1.862 10.213 1.00 32.34 H new ATOM 0 HG2 LYS A 72 6.484 -2.417 13.198 1.00 61.40 H new ATOM 0 HG3 LYS A 72 6.992 -0.951 12.384 1.00 61.40 H new ATOM 0 HD2 LYS A 72 4.602 -0.673 11.562 1.00 60.03 H new ATOM 0 HD3 LYS A 72 4.154 -2.032 12.574 1.00 60.03 H new ATOM 0 HE2 LYS A 72 5.293 0.638 13.474 1.00 45.32 H new ATOM 0 HE3 LYS A 72 3.692 0.003 13.799 1.00 45.32 H new ATOM 0 HZ1 LYS A 72 4.928 -0.352 15.739 1.00 32.21 H new ATOM 0 HZ2 LYS A 72 4.870 -1.877 14.995 1.00 32.21 H new ATOM 0 HZ3 LYS A 72 6.281 -0.938 14.898 1.00 32.21 H new ATOM 1160 N VAL A 73 4.320 -2.901 8.880 1.00 52.55 N ATOM 1161 CA VAL A 73 3.201 -2.403 8.089 1.00 54.23 C ATOM 1162 C VAL A 73 1.990 -3.321 8.212 1.00 55.42 C ATOM 1163 O VAL A 73 0.849 -2.890 8.037 1.00 45.05 O ATOM 1164 CB VAL A 73 3.580 -2.268 6.602 1.00 71.10 C ATOM 1165 CG1 VAL A 73 2.336 -2.064 5.750 1.00 65.11 C ATOM 1166 CG2 VAL A 73 4.565 -1.125 6.405 1.00 35.42 C ATOM 0 H VAL A 73 5.186 -3.022 8.356 1.00 52.55 H new ATOM 0 HA VAL A 73 2.949 -1.418 8.483 1.00 54.23 H new ATOM 0 HB VAL A 73 4.062 -3.192 6.282 1.00 71.10 H new ATOM 0 HG11 VAL A 73 2.624 -1.971 4.703 1.00 65.11 H new ATOM 0 HG12 VAL A 73 1.670 -2.918 5.869 1.00 65.11 H new ATOM 0 HG13 VAL A 73 1.822 -1.157 6.067 1.00 65.11 H new ATOM 0 HG21 VAL A 73 4.822 -1.044 5.349 1.00 35.42 H new ATOM 0 HG22 VAL A 73 4.112 -0.192 6.741 1.00 35.42 H new ATOM 0 HG23 VAL A 73 5.468 -1.319 6.984 1.00 35.42 H new ATOM 1176 N LYS A 74 2.244 -4.589 8.515 1.00 32.01 N ATOM 1177 CA LYS A 74 1.175 -5.570 8.664 1.00 1.41 C ATOM 1178 C LYS A 74 0.274 -5.217 9.843 1.00 32.21 C ATOM 1179 O LYS A 74 -0.809 -5.782 9.999 1.00 23.23 O ATOM 1180 CB LYS A 74 1.763 -6.969 8.858 1.00 33.32 C ATOM 1181 CG LYS A 74 2.653 -7.419 7.713 1.00 24.21 C ATOM 1182 CD LYS A 74 2.347 -8.848 7.296 1.00 14.12 C ATOM 1183 CE LYS A 74 1.392 -8.890 6.113 1.00 71.40 C ATOM 1184 NZ LYS A 74 1.214 -10.275 5.593 1.00 2.42 N ATOM 0 H LYS A 74 3.182 -4.962 8.662 1.00 32.01 H new ATOM 0 HA LYS A 74 0.575 -5.558 7.754 1.00 1.41 H new ATOM 0 HB2 LYS A 74 2.339 -6.987 9.783 1.00 33.32 H new ATOM 0 HB3 LYS A 74 0.948 -7.683 8.976 1.00 33.32 H new ATOM 0 HG2 LYS A 74 2.515 -6.753 6.861 1.00 24.21 H new ATOM 0 HG3 LYS A 74 3.698 -7.342 8.012 1.00 24.21 H new ATOM 0 HD2 LYS A 74 3.274 -9.359 7.035 1.00 14.12 H new ATOM 0 HD3 LYS A 74 1.911 -9.388 8.136 1.00 14.12 H new ATOM 0 HE2 LYS A 74 0.424 -8.487 6.413 1.00 71.40 H new ATOM 0 HE3 LYS A 74 1.771 -8.249 5.317 1.00 71.40 H new ATOM 0 HZ1 LYS A 74 0.413 -10.297 4.930 1.00 2.42 H new ATOM 0 HZ2 LYS A 74 2.080 -10.575 5.100 1.00 2.42 H new ATOM 0 HZ3 LYS A 74 1.025 -10.922 6.385 1.00 2.42 H new ATOM 1198 N TRP A 75 0.726 -4.280 10.668 1.00 25.33 N ATOM 1199 CA TRP A 75 -0.041 -3.852 11.832 1.00 3.14 C ATOM 1200 C TRP A 75 -1.299 -3.102 11.409 1.00 2.23 C ATOM 1201 O TRP A 75 -2.250 -2.980 12.182 1.00 62.31 O ATOM 1202 CB TRP A 75 0.817 -2.965 12.736 1.00 44.20 C ATOM 1203 CG TRP A 75 0.947 -1.558 12.237 1.00 41.42 C ATOM 1204 CD1 TRP A 75 1.109 -1.160 10.940 1.00 4.55 C ATOM 1205 CD2 TRP A 75 0.927 -0.363 13.026 1.00 63.11 C ATOM 1206 NE1 TRP A 75 1.192 0.211 10.876 1.00 32.42 N ATOM 1207 CE2 TRP A 75 1.082 0.723 12.142 1.00 71.31 C ATOM 1208 CE3 TRP A 75 0.792 -0.105 14.393 1.00 51.15 C ATOM 1209 CZ2 TRP A 75 1.106 2.043 12.583 1.00 52.35 C ATOM 1210 CZ3 TRP A 75 0.816 1.206 14.828 1.00 2.33 C ATOM 1211 CH2 TRP A 75 0.971 2.267 13.926 1.00 63.12 C ATOM 0 H TRP A 75 1.620 -3.802 10.553 1.00 25.33 H new ATOM 0 HA TRP A 75 -0.340 -4.742 12.386 1.00 3.14 H new ATOM 0 HB2 TRP A 75 0.383 -2.950 13.736 1.00 44.20 H new ATOM 0 HB3 TRP A 75 1.811 -3.404 12.827 1.00 44.20 H new ATOM 0 HD1 TRP A 75 1.164 -1.824 10.090 1.00 4.55 H new ATOM 0 HE1 TRP A 75 1.315 0.758 10.024 1.00 32.42 H new ATOM 0 HE3 TRP A 75 0.671 -0.916 15.096 1.00 51.15 H new ATOM 0 HZ2 TRP A 75 1.227 2.862 11.889 1.00 52.35 H new ATOM 0 HZ3 TRP A 75 0.713 1.417 15.882 1.00 2.33 H new ATOM 0 HH2 TRP A 75 0.984 3.281 14.298 1.00 63.12 H new ATOM 1222 N TYR A 76 -1.298 -2.601 10.179 1.00 1.32 N ATOM 1223 CA TYR A 76 -2.439 -1.860 9.655 1.00 73.33 C ATOM 1224 C TYR A 76 -3.110 -2.626 8.518 1.00 21.13 C ATOM 1225 O TYR A 76 -4.326 -2.819 8.517 1.00 74.23 O ATOM 1226 CB TYR A 76 -1.997 -0.481 9.164 1.00 40.24 C ATOM 1227 CG TYR A 76 -2.331 0.639 10.123 1.00 42.21 C ATOM 1228 CD1 TYR A 76 -3.557 0.680 10.775 1.00 21.20 C ATOM 1229 CD2 TYR A 76 -1.419 1.656 10.378 1.00 52.51 C ATOM 1230 CE1 TYR A 76 -3.866 1.702 11.652 1.00 72.44 C ATOM 1231 CE2 TYR A 76 -1.719 2.682 11.254 1.00 34.51 C ATOM 1232 CZ TYR A 76 -2.944 2.700 11.888 1.00 33.11 C ATOM 1233 OH TYR A 76 -3.248 3.719 12.762 1.00 71.23 O ATOM 0 H TYR A 76 -0.520 -2.694 9.526 1.00 1.32 H new ATOM 0 HA TYR A 76 -3.161 -1.736 10.462 1.00 73.33 H new ATOM 0 HB2 TYR A 76 -0.920 -0.493 8.994 1.00 40.24 H new ATOM 0 HB3 TYR A 76 -2.470 -0.278 8.203 1.00 40.24 H new ATOM 0 HD1 TYR A 76 -4.281 -0.100 10.593 1.00 21.20 H new ATOM 0 HD2 TYR A 76 -0.459 1.644 9.883 1.00 52.51 H new ATOM 0 HE1 TYR A 76 -4.824 1.719 12.150 1.00 72.44 H new ATOM 0 HE2 TYR A 76 -0.999 3.465 11.441 1.00 34.51 H new ATOM 0 HH TYR A 76 -2.517 3.827 13.406 1.00 71.23 H new ATOM 1243 N LEU A 77 -2.308 -3.061 7.553 1.00 42.23 N ATOM 1244 CA LEU A 77 -2.822 -3.807 6.409 1.00 5.03 C ATOM 1245 C LEU A 77 -3.218 -5.222 6.817 1.00 74.45 C ATOM 1246 O LEU A 77 -3.888 -5.931 6.066 1.00 43.33 O ATOM 1247 CB LEU A 77 -1.773 -3.859 5.297 1.00 71.24 C ATOM 1248 CG LEU A 77 -1.433 -2.525 4.631 1.00 13.05 C ATOM 1249 CD1 LEU A 77 -0.428 -2.729 3.509 1.00 70.03 C ATOM 1250 CD2 LEU A 77 -2.694 -1.855 4.106 1.00 52.24 C ATOM 0 H LEU A 77 -1.299 -2.910 7.539 1.00 42.23 H new ATOM 0 HA LEU A 77 -3.709 -3.293 6.039 1.00 5.03 H new ATOM 0 HB2 LEU A 77 -0.856 -4.280 5.709 1.00 71.24 H new ATOM 0 HB3 LEU A 77 -2.122 -4.548 4.528 1.00 71.24 H new ATOM 0 HG LEU A 77 -0.983 -1.872 5.378 1.00 13.05 H new ATOM 0 HD11 LEU A 77 -0.198 -1.769 3.047 1.00 70.03 H new ATOM 0 HD12 LEU A 77 0.486 -3.165 3.914 1.00 70.03 H new ATOM 0 HD13 LEU A 77 -0.849 -3.400 2.761 1.00 70.03 H new ATOM 0 HD21 LEU A 77 -2.433 -0.907 3.635 1.00 52.24 H new ATOM 0 HD22 LEU A 77 -3.173 -2.504 3.373 1.00 52.24 H new ATOM 0 HD23 LEU A 77 -3.380 -1.673 4.933 1.00 52.24 H new ATOM 1262 N GLY A 78 -2.802 -5.627 8.013 1.00 70.44 N ATOM 1263 CA GLY A 78 -3.125 -6.956 8.500 1.00 13.40 C ATOM 1264 C GLY A 78 -2.432 -8.048 7.710 1.00 55.25 C ATOM 1265 O GLY A 78 -2.068 -7.849 6.551 1.00 11.11 O ATOM 0 H GLY A 78 -2.247 -5.059 8.653 1.00 70.44 H new ATOM 0 HA2 GLY A 78 -2.840 -7.034 9.549 1.00 13.40 H new ATOM 0 HA3 GLY A 78 -4.204 -7.105 8.451 1.00 13.40 H new ATOM 1269 N ALA A 79 -2.249 -9.205 8.337 1.00 4.44 N ATOM 1270 CA ALA A 79 -1.595 -10.332 7.685 1.00 71.40 C ATOM 1271 C ALA A 79 -2.525 -10.997 6.676 1.00 33.42 C ATOM 1272 O ALA A 79 -2.072 -11.590 5.697 1.00 54.24 O ATOM 1273 CB ALA A 79 -1.128 -11.344 8.722 1.00 40.54 C ATOM 0 H ALA A 79 -2.545 -9.386 9.296 1.00 4.44 H new ATOM 0 HA ALA A 79 -0.727 -9.954 7.146 1.00 71.40 H new ATOM 0 HB1 ALA A 79 -0.641 -12.181 8.221 1.00 40.54 H new ATOM 0 HB2 ALA A 79 -0.422 -10.868 9.402 1.00 40.54 H new ATOM 0 HB3 ALA A 79 -1.986 -11.709 9.286 1.00 40.54 H new ATOM 1279 N ARG A 80 -3.827 -10.896 6.923 1.00 74.04 N ATOM 1280 CA ARG A 80 -4.821 -11.490 6.036 1.00 11.33 C ATOM 1281 C ARG A 80 -4.614 -11.024 4.598 1.00 60.31 C ATOM 1282 O ARG A 80 -4.723 -11.813 3.658 1.00 10.21 O ATOM 1283 CB ARG A 80 -6.232 -11.128 6.502 1.00 15.35 C ATOM 1284 CG ARG A 80 -6.519 -11.525 7.941 1.00 34.41 C ATOM 1285 CD ARG A 80 -7.677 -12.507 8.027 1.00 32.53 C ATOM 1286 NE ARG A 80 -7.345 -13.799 7.431 1.00 11.25 N ATOM 1287 CZ ARG A 80 -8.032 -14.912 7.661 1.00 71.45 C ATOM 1288 NH1 ARG A 80 -9.084 -14.892 8.468 1.00 63.22 N ATOM 1289 NH2 ARG A 80 -7.668 -16.049 7.081 1.00 21.21 N ATOM 0 H ARG A 80 -4.218 -10.409 7.729 1.00 74.04 H new ATOM 0 HA ARG A 80 -4.701 -12.573 6.070 1.00 11.33 H new ATOM 0 HB2 ARG A 80 -6.376 -10.053 6.395 1.00 15.35 H new ATOM 0 HB3 ARG A 80 -6.957 -11.613 5.849 1.00 15.35 H new ATOM 0 HG2 ARG A 80 -5.628 -11.972 8.381 1.00 34.41 H new ATOM 0 HG3 ARG A 80 -6.751 -10.635 8.526 1.00 34.41 H new ATOM 0 HD2 ARG A 80 -7.954 -12.650 9.071 1.00 32.53 H new ATOM 0 HD3 ARG A 80 -8.547 -12.087 7.521 1.00 32.53 H new ATOM 0 HE ARG A 80 -6.542 -13.849 6.804 1.00 11.25 H new ATOM 0 HH11 ARG A 80 -9.368 -14.020 8.914 1.00 63.22 H new ATOM 0 HH12 ARG A 80 -9.609 -15.749 8.642 1.00 63.22 H new ATOM 0 HH21 ARG A 80 -6.860 -16.068 6.458 1.00 21.21 H new ATOM 0 HH22 ARG A 80 -8.196 -16.904 7.258 1.00 21.21 H new ATOM 1303 N CYS A 81 -4.316 -9.740 4.434 1.00 24.34 N ATOM 1304 CA CYS A 81 -4.094 -9.169 3.111 1.00 75.35 C ATOM 1305 C CYS A 81 -2.614 -9.203 2.744 1.00 13.12 C ATOM 1306 O CYS A 81 -1.754 -8.876 3.562 1.00 2.13 O ATOM 1307 CB CYS A 81 -4.612 -7.731 3.060 1.00 75.35 C ATOM 1308 SG CYS A 81 -6.271 -7.519 3.748 1.00 70.23 S ATOM 0 H CYS A 81 -4.223 -9.075 5.201 1.00 24.34 H new ATOM 0 HA CYS A 81 -4.642 -9.771 2.386 1.00 75.35 H new ATOM 0 HB2 CYS A 81 -3.920 -7.087 3.603 1.00 75.35 H new ATOM 0 HB3 CYS A 81 -4.614 -7.394 2.024 1.00 75.35 H new ATOM 0 HG CYS A 81 -6.620 -6.270 3.662 1.00 70.23 H new ATOM 1314 N HIS A 82 -2.324 -9.602 1.510 1.00 53.12 N ATOM 1315 CA HIS A 82 -0.947 -9.680 1.035 1.00 13.51 C ATOM 1316 C HIS A 82 -0.380 -8.286 0.784 1.00 40.34 C ATOM 1317 O HIS A 82 -1.019 -7.452 0.142 1.00 15.40 O ATOM 1318 CB HIS A 82 -0.873 -10.512 -0.245 1.00 51.23 C ATOM 1319 CG HIS A 82 0.509 -10.989 -0.570 1.00 51.14 C ATOM 1320 ND1 HIS A 82 1.341 -11.575 0.360 1.00 72.42 N ATOM 1321 CD2 HIS A 82 1.203 -10.965 -1.732 1.00 23.20 C ATOM 1322 CE1 HIS A 82 2.488 -11.890 -0.215 1.00 72.21 C ATOM 1323 NE2 HIS A 82 2.430 -11.531 -1.485 1.00 11.23 N ATOM 0 H HIS A 82 -3.024 -9.876 0.821 1.00 53.12 H new ATOM 0 HA HIS A 82 -0.349 -10.163 1.808 1.00 13.51 H new ATOM 0 HB2 HIS A 82 -1.532 -11.374 -0.147 1.00 51.23 H new ATOM 0 HB3 HIS A 82 -1.248 -9.917 -1.078 1.00 51.23 H new ATOM 0 HD2 HIS A 82 0.857 -10.574 -2.677 1.00 23.20 H new ATOM 0 HE1 HIS A 82 3.330 -12.361 0.271 1.00 72.21 H new ATOM 0 HE2 HIS A 82 3.175 -11.654 -2.171 1.00 11.23 H new ATOM 1331 N ILE A 83 0.822 -8.041 1.293 1.00 3.34 N ATOM 1332 CA ILE A 83 1.475 -6.748 1.123 1.00 32.43 C ATOM 1333 C ILE A 83 2.703 -6.866 0.227 1.00 20.44 C ATOM 1334 O ILE A 83 3.416 -7.869 0.264 1.00 11.45 O ATOM 1335 CB ILE A 83 1.897 -6.148 2.477 1.00 32.35 C ATOM 1336 CG1 ILE A 83 0.840 -6.445 3.543 1.00 30.53 C ATOM 1337 CG2 ILE A 83 2.118 -4.649 2.346 1.00 13.24 C ATOM 1338 CD1 ILE A 83 1.138 -5.810 4.883 1.00 14.32 C ATOM 0 H ILE A 83 1.364 -8.720 1.827 1.00 3.34 H new ATOM 0 HA ILE A 83 0.747 -6.086 0.653 1.00 32.43 H new ATOM 0 HB ILE A 83 2.836 -6.608 2.785 1.00 32.35 H new ATOM 0 HG12 ILE A 83 -0.129 -6.092 3.190 1.00 30.53 H new ATOM 0 HG13 ILE A 83 0.759 -7.524 3.672 1.00 30.53 H new ATOM 0 HG21 ILE A 83 2.416 -4.239 3.311 1.00 13.24 H new ATOM 0 HG22 ILE A 83 2.903 -4.460 1.614 1.00 13.24 H new ATOM 0 HG23 ILE A 83 1.194 -4.172 2.019 1.00 13.24 H new ATOM 0 HD11 ILE A 83 0.347 -6.063 5.589 1.00 14.32 H new ATOM 0 HD12 ILE A 83 2.092 -6.182 5.258 1.00 14.32 H new ATOM 0 HD13 ILE A 83 1.190 -4.727 4.769 1.00 14.32 H new ATOM 1350 N GLU A 84 2.944 -5.835 -0.576 1.00 4.24 N ATOM 1351 CA GLU A 84 4.088 -5.823 -1.480 1.00 72.15 C ATOM 1352 C GLU A 84 4.646 -4.411 -1.634 1.00 74.12 C ATOM 1353 O GLU A 84 3.991 -3.430 -1.280 1.00 20.32 O ATOM 1354 CB GLU A 84 3.689 -6.378 -2.850 1.00 14.54 C ATOM 1355 CG GLU A 84 3.459 -7.879 -2.855 1.00 35.44 C ATOM 1356 CD GLU A 84 3.244 -8.432 -4.250 1.00 65.23 C ATOM 1357 OE1 GLU A 84 3.312 -7.645 -5.217 1.00 75.35 O ATOM 1358 OE2 GLU A 84 3.010 -9.653 -4.375 1.00 1.42 O ATOM 0 H GLU A 84 2.363 -4.998 -0.619 1.00 4.24 H new ATOM 0 HA GLU A 84 4.864 -6.456 -1.051 1.00 72.15 H new ATOM 0 HB2 GLU A 84 2.780 -5.879 -3.184 1.00 14.54 H new ATOM 0 HB3 GLU A 84 4.469 -6.136 -3.572 1.00 14.54 H new ATOM 0 HG2 GLU A 84 4.316 -8.375 -2.400 1.00 35.44 H new ATOM 0 HG3 GLU A 84 2.591 -8.112 -2.238 1.00 35.44 H new ATOM 1365 N LYS A 85 5.860 -4.316 -2.165 1.00 10.42 N ATOM 1366 CA LYS A 85 6.508 -3.025 -2.367 1.00 72.12 C ATOM 1367 C LYS A 85 6.042 -2.380 -3.669 1.00 34.44 C ATOM 1368 O LYS A 85 6.003 -3.028 -4.714 1.00 62.31 O ATOM 1369 CB LYS A 85 8.029 -3.192 -2.385 1.00 31.04 C ATOM 1370 CG LYS A 85 8.592 -3.774 -1.100 1.00 33.34 C ATOM 1371 CD LYS A 85 10.088 -3.534 -0.987 1.00 31.30 C ATOM 1372 CE LYS A 85 10.748 -4.552 -0.069 1.00 10.41 C ATOM 1373 NZ LYS A 85 11.870 -5.262 -0.743 1.00 51.53 N ATOM 0 H LYS A 85 6.415 -5.118 -2.463 1.00 10.42 H new ATOM 0 HA LYS A 85 6.230 -2.373 -1.539 1.00 72.12 H new ATOM 0 HB2 LYS A 85 8.305 -3.838 -3.218 1.00 31.04 H new ATOM 0 HB3 LYS A 85 8.491 -2.222 -2.567 1.00 31.04 H new ATOM 0 HG2 LYS A 85 8.085 -3.327 -0.245 1.00 33.34 H new ATOM 0 HG3 LYS A 85 8.391 -4.845 -1.066 1.00 33.34 H new ATOM 0 HD2 LYS A 85 10.542 -3.587 -1.977 1.00 31.30 H new ATOM 0 HD3 LYS A 85 10.269 -2.529 -0.607 1.00 31.30 H new ATOM 0 HE2 LYS A 85 11.121 -4.049 0.823 1.00 10.41 H new ATOM 0 HE3 LYS A 85 10.005 -5.278 0.262 1.00 10.41 H new ATOM 0 HZ1 LYS A 85 12.293 -5.947 -0.084 1.00 51.53 H new ATOM 0 HZ2 LYS A 85 11.510 -5.764 -1.580 1.00 51.53 H new ATOM 0 HZ3 LYS A 85 12.591 -4.572 -1.036 1.00 51.53 H new ATOM 1387 N ALA A 86 5.690 -1.101 -3.597 1.00 13.11 N ATOM 1388 CA ALA A 86 5.230 -0.368 -4.770 1.00 72.21 C ATOM 1389 C ALA A 86 6.399 0.269 -5.512 1.00 43.45 C ATOM 1390 O ALA A 86 7.467 0.489 -4.939 1.00 73.04 O ATOM 1391 CB ALA A 86 4.217 0.693 -4.366 1.00 60.01 C ATOM 0 H ALA A 86 5.715 -0.551 -2.739 1.00 13.11 H new ATOM 0 HA ALA A 86 4.748 -1.076 -5.444 1.00 72.21 H new ATOM 0 HB1 ALA A 86 3.882 1.232 -5.252 1.00 60.01 H new ATOM 0 HB2 ALA A 86 3.362 0.216 -3.887 1.00 60.01 H new ATOM 0 HB3 ALA A 86 4.680 1.392 -3.669 1.00 60.01 H new ATOM 1397 N LYS A 87 6.192 0.564 -6.791 1.00 41.24 N ATOM 1398 CA LYS A 87 7.229 1.177 -7.613 1.00 53.34 C ATOM 1399 C LYS A 87 6.621 2.152 -8.617 1.00 4.41 C ATOM 1400 O LYS A 87 5.489 1.974 -9.063 1.00 13.44 O ATOM 1401 CB LYS A 87 8.027 0.100 -8.352 1.00 14.24 C ATOM 1402 CG LYS A 87 7.212 -0.659 -9.385 1.00 24.12 C ATOM 1403 CD LYS A 87 8.105 -1.445 -10.330 1.00 60.52 C ATOM 1404 CE LYS A 87 8.586 -2.741 -9.694 1.00 41.33 C ATOM 1405 NZ LYS A 87 10.032 -2.682 -9.342 1.00 13.15 N ATOM 0 H LYS A 87 5.315 0.388 -7.281 1.00 41.24 H new ATOM 0 HA LYS A 87 7.900 1.730 -6.955 1.00 53.34 H new ATOM 0 HB2 LYS A 87 8.880 0.566 -8.845 1.00 14.24 H new ATOM 0 HB3 LYS A 87 8.426 -0.607 -7.625 1.00 14.24 H new ATOM 0 HG2 LYS A 87 6.526 -1.339 -8.881 1.00 24.12 H new ATOM 0 HG3 LYS A 87 6.603 0.042 -9.956 1.00 24.12 H new ATOM 0 HD2 LYS A 87 7.559 -1.669 -11.246 1.00 60.52 H new ATOM 0 HD3 LYS A 87 8.964 -0.836 -10.612 1.00 60.52 H new ATOM 0 HE2 LYS A 87 8.002 -2.944 -8.797 1.00 41.33 H new ATOM 0 HE3 LYS A 87 8.413 -3.569 -10.381 1.00 41.33 H new ATOM 0 HZ1 LYS A 87 10.322 -3.583 -8.911 1.00 13.15 H new ATOM 0 HZ2 LYS A 87 10.592 -2.513 -10.202 1.00 13.15 H new ATOM 0 HZ3 LYS A 87 10.194 -1.908 -8.666 1.00 13.15 H new ATOM 1419 N GLY A 88 7.384 3.183 -8.970 1.00 13.35 N ATOM 1420 CA GLY A 88 6.904 4.170 -9.919 1.00 52.21 C ATOM 1421 C GLY A 88 6.584 5.499 -9.263 1.00 22.31 C ATOM 1422 O GLY A 88 7.170 5.851 -8.239 1.00 0.53 O ATOM 0 H GLY A 88 8.325 3.352 -8.615 1.00 13.35 H new ATOM 0 HA2 GLY A 88 7.657 4.322 -10.692 1.00 52.21 H new ATOM 0 HA3 GLY A 88 6.011 3.789 -10.414 1.00 52.21 H new ATOM 1426 N THR A 89 5.653 6.240 -9.854 1.00 55.32 N ATOM 1427 CA THR A 89 5.258 7.539 -9.323 1.00 30.33 C ATOM 1428 C THR A 89 3.800 7.530 -8.877 1.00 42.42 C ATOM 1429 O THR A 89 3.084 6.550 -9.081 1.00 64.30 O ATOM 1430 CB THR A 89 5.459 8.656 -10.364 1.00 15.34 C ATOM 1431 OG1 THR A 89 4.482 8.538 -11.404 1.00 32.10 O ATOM 1432 CG2 THR A 89 6.855 8.593 -10.963 1.00 3.31 C ATOM 0 H THR A 89 5.158 5.963 -10.701 1.00 55.32 H new ATOM 0 HA THR A 89 5.897 7.737 -8.462 1.00 30.33 H new ATOM 0 HB THR A 89 5.340 9.616 -9.862 1.00 15.34 H new ATOM 0 HG1 THR A 89 4.616 9.253 -12.061 1.00 32.10 H new ATOM 0 HG21 THR A 89 6.973 9.392 -11.695 1.00 3.31 H new ATOM 0 HG22 THR A 89 7.596 8.713 -10.173 1.00 3.31 H new ATOM 0 HG23 THR A 89 6.998 7.629 -11.451 1.00 3.31 H new ATOM 1440 N ASP A 90 3.366 8.629 -8.269 1.00 62.20 N ATOM 1441 CA ASP A 90 1.992 8.749 -7.796 1.00 71.30 C ATOM 1442 C ASP A 90 1.003 8.478 -8.925 1.00 71.25 C ATOM 1443 O ASP A 90 -0.035 7.850 -8.716 1.00 43.15 O ATOM 1444 CB ASP A 90 1.750 10.142 -7.213 1.00 63.11 C ATOM 1445 CG ASP A 90 0.373 10.280 -6.595 1.00 51.00 C ATOM 1446 OD1 ASP A 90 -0.593 10.528 -7.347 1.00 51.00 O ATOM 1447 OD2 ASP A 90 0.261 10.139 -5.359 1.00 53.25 O ATOM 0 H ASP A 90 3.946 9.449 -8.092 1.00 62.20 H new ATOM 0 HA ASP A 90 1.837 8.005 -7.015 1.00 71.30 H new ATOM 0 HB2 ASP A 90 2.507 10.353 -6.457 1.00 63.11 H new ATOM 0 HB3 ASP A 90 1.868 10.887 -7.999 1.00 63.11 H new ATOM 1452 N GLN A 91 1.332 8.956 -10.121 1.00 1.41 N ATOM 1453 CA GLN A 91 0.471 8.767 -11.283 1.00 23.15 C ATOM 1454 C GLN A 91 0.437 7.301 -11.702 1.00 23.15 C ATOM 1455 O GLN A 91 -0.595 6.796 -12.142 1.00 41.11 O ATOM 1456 CB GLN A 91 0.954 9.632 -12.448 1.00 64.31 C ATOM 1457 CG GLN A 91 0.264 10.984 -12.530 1.00 31.51 C ATOM 1458 CD GLN A 91 -1.215 10.865 -12.842 1.00 41.50 C ATOM 1459 OE1 GLN A 91 -2.045 10.926 -11.808 1.00 51.13 O flip ATOM 1460 NE2 GLN A 91 -1.607 10.721 -14.000 1.00 13.35 N flip ATOM 0 H GLN A 91 2.188 9.477 -10.311 1.00 1.41 H new ATOM 0 HA GLN A 91 -0.539 9.071 -11.009 1.00 23.15 H new ATOM 0 HB2 GLN A 91 2.029 9.787 -12.353 1.00 64.31 H new ATOM 0 HB3 GLN A 91 0.791 9.093 -13.381 1.00 64.31 H new ATOM 0 HG2 GLN A 91 0.391 11.511 -11.584 1.00 31.51 H new ATOM 0 HG3 GLN A 91 0.746 11.588 -13.298 1.00 31.51 H new ATOM 0 HE21 GLN A 91 -0.934 10.679 -14.765 1.00 13.35 H new ATOM 0 HE22 GLN A 91 -2.605 10.643 -14.195 1.00 13.35 H new ATOM 1469 N GLN A 92 1.572 6.624 -11.561 1.00 64.03 N ATOM 1470 CA GLN A 92 1.672 5.216 -11.927 1.00 33.13 C ATOM 1471 C GLN A 92 0.815 4.353 -11.007 1.00 35.05 C ATOM 1472 O GLN A 92 0.154 3.417 -11.455 1.00 55.51 O ATOM 1473 CB GLN A 92 3.129 4.753 -11.868 1.00 14.50 C ATOM 1474 CG GLN A 92 4.020 5.417 -12.906 1.00 33.32 C ATOM 1475 CD GLN A 92 5.080 4.479 -13.449 1.00 52.35 C ATOM 1476 OE1 GLN A 92 4.767 3.454 -14.055 1.00 32.32 O ATOM 1477 NE2 GLN A 92 6.344 4.827 -13.236 1.00 75.12 N ATOM 0 H GLN A 92 2.435 7.027 -11.196 1.00 64.03 H new ATOM 0 HA GLN A 92 1.304 5.105 -12.947 1.00 33.13 H new ATOM 0 HB2 GLN A 92 3.527 4.959 -10.874 1.00 14.50 H new ATOM 0 HB3 GLN A 92 3.164 3.673 -12.008 1.00 14.50 H new ATOM 0 HG2 GLN A 92 3.405 5.780 -13.729 1.00 33.32 H new ATOM 0 HG3 GLN A 92 4.503 6.287 -12.462 1.00 33.32 H new ATOM 0 HE21 GLN A 92 6.558 5.686 -12.729 1.00 75.12 H new ATOM 0 HE22 GLN A 92 7.101 4.236 -13.580 1.00 75.12 H new ATOM 1486 N ASN A 93 0.831 4.674 -9.717 1.00 4.21 N ATOM 1487 CA ASN A 93 0.056 3.927 -8.733 1.00 41.31 C ATOM 1488 C ASN A 93 -1.411 4.346 -8.764 1.00 44.53 C ATOM 1489 O ASN A 93 -2.309 3.515 -8.634 1.00 62.51 O ATOM 1490 CB ASN A 93 0.630 4.142 -7.331 1.00 52.21 C ATOM 1491 CG ASN A 93 1.907 3.357 -7.102 1.00 73.33 C ATOM 1492 OD1 ASN A 93 2.001 2.562 -6.166 1.00 53.44 O ATOM 1493 ND2 ASN A 93 2.898 3.576 -7.959 1.00 14.13 N ATOM 0 H ASN A 93 1.372 5.447 -9.329 1.00 4.21 H new ATOM 0 HA ASN A 93 0.119 2.869 -8.986 1.00 41.31 H new ATOM 0 HB2 ASN A 93 0.828 5.203 -7.181 1.00 52.21 H new ATOM 0 HB3 ASN A 93 -0.112 3.848 -6.589 1.00 52.21 H new ATOM 0 HD21 ASN A 93 3.781 3.076 -7.856 1.00 14.13 H new ATOM 0 HD22 ASN A 93 2.776 4.244 -8.720 1.00 14.13 H new ATOM 1500 N LYS A 94 -1.646 5.642 -8.938 1.00 51.53 N ATOM 1501 CA LYS A 94 -3.003 6.174 -8.989 1.00 20.00 C ATOM 1502 C LYS A 94 -3.776 5.581 -10.163 1.00 10.23 C ATOM 1503 O LYS A 94 -4.915 5.142 -10.008 1.00 61.32 O ATOM 1504 CB LYS A 94 -2.971 7.700 -9.104 1.00 31.31 C ATOM 1505 CG LYS A 94 -4.327 8.353 -8.901 1.00 10.30 C ATOM 1506 CD LYS A 94 -4.600 9.411 -9.957 1.00 4.51 C ATOM 1507 CE LYS A 94 -5.650 10.407 -9.490 1.00 12.32 C ATOM 1508 NZ LYS A 94 -5.067 11.756 -9.247 1.00 71.21 N ATOM 0 H LYS A 94 -0.914 6.344 -9.046 1.00 51.53 H new ATOM 0 HA LYS A 94 -3.510 5.896 -8.065 1.00 20.00 H new ATOM 0 HB2 LYS A 94 -2.272 8.097 -8.368 1.00 31.31 H new ATOM 0 HB3 LYS A 94 -2.588 7.974 -10.087 1.00 31.31 H new ATOM 0 HG2 LYS A 94 -5.107 7.592 -8.936 1.00 10.30 H new ATOM 0 HG3 LYS A 94 -4.369 8.807 -7.911 1.00 10.30 H new ATOM 0 HD2 LYS A 94 -3.676 9.939 -10.192 1.00 4.51 H new ATOM 0 HD3 LYS A 94 -4.936 8.931 -10.876 1.00 4.51 H new ATOM 0 HE2 LYS A 94 -6.438 10.482 -10.239 1.00 12.32 H new ATOM 0 HE3 LYS A 94 -6.115 10.042 -8.574 1.00 12.32 H new ATOM 0 HZ1 LYS A 94 -5.815 12.405 -8.930 1.00 71.21 H new ATOM 0 HZ2 LYS A 94 -4.332 11.690 -8.514 1.00 71.21 H new ATOM 0 HZ3 LYS A 94 -4.646 12.116 -10.127 1.00 71.21 H new ATOM 1522 N GLU A 95 -3.148 5.572 -11.335 1.00 34.44 N ATOM 1523 CA GLU A 95 -3.779 5.032 -12.534 1.00 23.45 C ATOM 1524 C GLU A 95 -3.884 3.511 -12.455 1.00 42.33 C ATOM 1525 O GLU A 95 -4.855 2.920 -12.928 1.00 42.12 O ATOM 1526 CB GLU A 95 -2.987 5.436 -13.779 1.00 21.31 C ATOM 1527 CG GLU A 95 -3.171 6.892 -14.171 1.00 5.21 C ATOM 1528 CD GLU A 95 -4.152 7.070 -15.313 1.00 31.30 C ATOM 1529 OE1 GLU A 95 -3.836 6.636 -16.440 1.00 73.14 O ATOM 1530 OE2 GLU A 95 -5.237 7.643 -15.078 1.00 61.44 O ATOM 0 H GLU A 95 -2.205 5.932 -11.480 1.00 34.44 H new ATOM 0 HA GLU A 95 -4.785 5.445 -12.602 1.00 23.45 H new ATOM 0 HB2 GLU A 95 -1.928 5.247 -13.603 1.00 21.31 H new ATOM 0 HB3 GLU A 95 -3.289 4.803 -14.613 1.00 21.31 H new ATOM 0 HG2 GLU A 95 -3.520 7.456 -13.306 1.00 5.21 H new ATOM 0 HG3 GLU A 95 -2.207 7.312 -14.457 1.00 5.21 H new ATOM 1537 N TYR A 96 -2.878 2.885 -11.856 1.00 24.13 N ATOM 1538 CA TYR A 96 -2.854 1.434 -11.718 1.00 33.42 C ATOM 1539 C TYR A 96 -4.101 0.935 -10.993 1.00 3.22 C ATOM 1540 O TYR A 96 -4.764 0.001 -11.446 1.00 12.54 O ATOM 1541 CB TYR A 96 -1.600 0.992 -10.961 1.00 51.25 C ATOM 1542 CG TYR A 96 -1.524 -0.501 -10.734 1.00 51.31 C ATOM 1543 CD1 TYR A 96 -0.959 -1.341 -11.686 1.00 11.44 C ATOM 1544 CD2 TYR A 96 -2.017 -1.071 -9.567 1.00 23.13 C ATOM 1545 CE1 TYR A 96 -0.888 -2.705 -11.482 1.00 74.02 C ATOM 1546 CE2 TYR A 96 -1.949 -2.434 -9.354 1.00 61.51 C ATOM 1547 CZ TYR A 96 -1.384 -3.247 -10.315 1.00 33.21 C ATOM 1548 OH TYR A 96 -1.314 -4.606 -10.108 1.00 15.22 O ATOM 0 H TYR A 96 -2.068 3.360 -11.458 1.00 24.13 H new ATOM 0 HA TYR A 96 -2.838 1.000 -12.718 1.00 33.42 H new ATOM 0 HB2 TYR A 96 -0.719 1.312 -11.517 1.00 51.25 H new ATOM 0 HB3 TYR A 96 -1.570 1.500 -9.997 1.00 51.25 H new ATOM 0 HD1 TYR A 96 -0.569 -0.920 -12.601 1.00 11.44 H new ATOM 0 HD2 TYR A 96 -2.461 -0.438 -8.813 1.00 23.13 H new ATOM 0 HE1 TYR A 96 -0.446 -3.344 -12.232 1.00 74.02 H new ATOM 0 HE2 TYR A 96 -2.336 -2.861 -8.440 1.00 61.51 H new ATOM 0 HH TYR A 96 -1.706 -4.825 -9.237 1.00 15.22 H new ATOM 1558 N CYS A 97 -4.413 1.565 -9.866 1.00 22.03 N ATOM 1559 CA CYS A 97 -5.580 1.187 -9.076 1.00 64.43 C ATOM 1560 C CYS A 97 -6.870 1.521 -9.818 1.00 44.30 C ATOM 1561 O CYS A 97 -7.861 0.800 -9.716 1.00 34.54 O ATOM 1562 CB CYS A 97 -5.557 1.897 -7.722 1.00 21.51 C ATOM 1563 SG CYS A 97 -4.023 1.666 -6.793 1.00 63.12 S ATOM 0 H CYS A 97 -3.874 2.340 -9.479 1.00 22.03 H new ATOM 0 HA CYS A 97 -5.545 0.110 -8.913 1.00 64.43 H new ATOM 0 HB2 CYS A 97 -5.716 2.964 -7.880 1.00 21.51 H new ATOM 0 HB3 CYS A 97 -6.391 1.536 -7.120 1.00 21.51 H new ATOM 0 HG CYS A 97 -3.070 2.351 -7.352 1.00 63.12 H new ATOM 1569 N SER A 98 -6.849 2.622 -10.564 1.00 31.54 N ATOM 1570 CA SER A 98 -8.019 3.055 -11.318 1.00 41.43 C ATOM 1571 C SER A 98 -8.195 2.214 -12.579 1.00 31.35 C ATOM 1572 O SER A 98 -9.238 2.263 -13.232 1.00 23.43 O ATOM 1573 CB SER A 98 -7.891 4.533 -11.692 1.00 54.42 C ATOM 1574 OG SER A 98 -7.145 4.695 -12.886 1.00 20.01 O ATOM 0 H SER A 98 -6.035 3.229 -10.662 1.00 31.54 H new ATOM 0 HA SER A 98 -8.898 2.921 -10.687 1.00 41.43 H new ATOM 0 HB2 SER A 98 -8.883 4.967 -11.818 1.00 54.42 H new ATOM 0 HB3 SER A 98 -7.407 5.076 -10.880 1.00 54.42 H new ATOM 0 HG SER A 98 -6.377 4.087 -12.877 1.00 20.01 H new ATOM 1580 N LYS A 99 -7.168 1.441 -12.915 1.00 3.12 N ATOM 1581 CA LYS A 99 -7.207 0.586 -14.095 1.00 43.54 C ATOM 1582 C LYS A 99 -8.403 -0.359 -14.044 1.00 1.52 C ATOM 1583 O LYS A 99 -8.885 -0.821 -15.077 1.00 43.45 O ATOM 1584 CB LYS A 99 -5.911 -0.220 -14.210 1.00 1.32 C ATOM 1585 CG LYS A 99 -5.870 -1.137 -15.420 1.00 1.22 C ATOM 1586 CD LYS A 99 -5.732 -2.594 -15.011 1.00 2.30 C ATOM 1587 CE LYS A 99 -4.441 -2.838 -14.244 1.00 51.53 C ATOM 1588 NZ LYS A 99 -3.683 -3.997 -14.790 1.00 25.13 N ATOM 0 H LYS A 99 -6.297 1.389 -12.386 1.00 3.12 H new ATOM 0 HA LYS A 99 -7.309 1.225 -14.972 1.00 43.54 H new ATOM 0 HB2 LYS A 99 -5.068 0.469 -14.258 1.00 1.32 H new ATOM 0 HB3 LYS A 99 -5.783 -0.818 -13.307 1.00 1.32 H new ATOM 0 HG2 LYS A 99 -6.779 -1.007 -16.007 1.00 1.22 H new ATOM 0 HG3 LYS A 99 -5.034 -0.857 -16.061 1.00 1.22 H new ATOM 0 HD2 LYS A 99 -6.583 -2.882 -14.394 1.00 2.30 H new ATOM 0 HD3 LYS A 99 -5.754 -3.226 -15.899 1.00 2.30 H new ATOM 0 HE2 LYS A 99 -3.819 -1.944 -14.287 1.00 51.53 H new ATOM 0 HE3 LYS A 99 -4.671 -3.016 -13.194 1.00 51.53 H new ATOM 0 HZ1 LYS A 99 -2.810 -4.131 -14.241 1.00 25.13 H new ATOM 0 HZ2 LYS A 99 -4.267 -4.855 -14.726 1.00 25.13 H new ATOM 0 HZ3 LYS A 99 -3.441 -3.816 -15.785 1.00 25.13 H new ATOM 1602 N GLU A 100 -8.878 -0.640 -12.834 1.00 45.23 N ATOM 1603 CA GLU A 100 -10.018 -1.529 -12.650 1.00 31.31 C ATOM 1604 C GLU A 100 -11.314 -0.850 -13.083 1.00 1.51 C ATOM 1605 O GLU A 100 -12.294 -1.513 -13.417 1.00 34.33 O ATOM 1606 CB GLU A 100 -10.122 -1.965 -11.187 1.00 11.02 C ATOM 1607 CG GLU A 100 -8.815 -2.484 -10.612 1.00 2.32 C ATOM 1608 CD GLU A 100 -8.240 -3.634 -11.415 1.00 42.02 C ATOM 1609 OE1 GLU A 100 -9.012 -4.293 -12.143 1.00 1.11 O ATOM 1610 OE2 GLU A 100 -7.019 -3.875 -11.316 1.00 63.53 O ATOM 0 H GLU A 100 -8.491 -0.265 -11.968 1.00 45.23 H new ATOM 0 HA GLU A 100 -9.864 -2.409 -13.274 1.00 31.31 H new ATOM 0 HB2 GLU A 100 -10.462 -1.120 -10.588 1.00 11.02 H new ATOM 0 HB3 GLU A 100 -10.881 -2.743 -11.102 1.00 11.02 H new ATOM 0 HG2 GLU A 100 -8.089 -1.671 -10.578 1.00 2.32 H new ATOM 0 HG3 GLU A 100 -8.978 -2.809 -9.585 1.00 2.32 H new ATOM 1617 N GLY A 101 -11.310 0.480 -13.074 1.00 4.22 N ATOM 1618 CA GLY A 101 -12.489 1.228 -13.466 1.00 54.54 C ATOM 1619 C GLY A 101 -13.361 1.599 -12.283 1.00 51.41 C ATOM 1620 O GLY A 101 -14.288 2.398 -12.413 1.00 21.13 O ATOM 0 H GLY A 101 -10.511 1.052 -12.802 1.00 4.22 H new ATOM 0 HA2 GLY A 101 -12.183 2.136 -13.987 1.00 54.54 H new ATOM 0 HA3 GLY A 101 -13.072 0.637 -14.172 1.00 54.54 H new ATOM 1624 N ASN A 102 -13.065 1.017 -11.126 1.00 24.30 N ATOM 1625 CA ASN A 102 -13.830 1.289 -9.915 1.00 31.12 C ATOM 1626 C ASN A 102 -12.903 1.533 -8.728 1.00 65.43 C ATOM 1627 O ASN A 102 -12.064 0.693 -8.399 1.00 31.53 O ATOM 1628 CB ASN A 102 -14.772 0.123 -9.609 1.00 71.30 C ATOM 1629 CG ASN A 102 -16.000 0.559 -8.833 1.00 5.23 C ATOM 1630 OD1 ASN A 102 -16.485 1.679 -8.995 1.00 61.14 O ATOM 1631 ND2 ASN A 102 -16.507 -0.326 -7.983 1.00 13.44 N ATOM 0 H ASN A 102 -12.300 0.354 -11.001 1.00 24.30 H new ATOM 0 HA ASN A 102 -14.420 2.190 -10.083 1.00 31.12 H new ATOM 0 HB2 ASN A 102 -15.083 -0.344 -10.544 1.00 71.30 H new ATOM 0 HB3 ASN A 102 -14.235 -0.634 -9.038 1.00 71.30 H new ATOM 0 HD21 ASN A 102 -17.332 -0.089 -7.432 1.00 13.44 H new ATOM 0 HD22 ASN A 102 -16.072 -1.243 -7.881 1.00 13.44 H new ATOM 1638 N LEU A 103 -13.059 2.687 -8.090 1.00 21.13 N ATOM 1639 CA LEU A 103 -12.236 3.042 -6.938 1.00 71.05 C ATOM 1640 C LEU A 103 -12.987 2.792 -5.635 1.00 31.14 C ATOM 1641 O LEU A 103 -14.130 3.222 -5.472 1.00 21.35 O ATOM 1642 CB LEU A 103 -11.812 4.509 -7.023 1.00 12.31 C ATOM 1643 CG LEU A 103 -11.004 4.905 -8.260 1.00 34.45 C ATOM 1644 CD1 LEU A 103 -10.457 6.316 -8.111 1.00 31.40 C ATOM 1645 CD2 LEU A 103 -9.874 3.914 -8.497 1.00 3.21 C ATOM 0 H LEU A 103 -13.747 3.393 -8.350 1.00 21.13 H new ATOM 0 HA LEU A 103 -11.347 2.412 -6.949 1.00 71.05 H new ATOM 0 HB2 LEU A 103 -12.708 5.128 -6.986 1.00 12.31 H new ATOM 0 HB3 LEU A 103 -11.223 4.748 -6.137 1.00 12.31 H new ATOM 0 HG LEU A 103 -11.666 4.885 -9.126 1.00 34.45 H new ATOM 0 HD11 LEU A 103 -9.885 6.580 -9.000 1.00 31.40 H new ATOM 0 HD12 LEU A 103 -11.284 7.016 -7.990 1.00 31.40 H new ATOM 0 HD13 LEU A 103 -9.809 6.365 -7.236 1.00 31.40 H new ATOM 0 HD21 LEU A 103 -9.309 4.211 -9.381 1.00 3.21 H new ATOM 0 HD22 LEU A 103 -9.213 3.902 -7.631 1.00 3.21 H new ATOM 0 HD23 LEU A 103 -10.290 2.918 -8.649 1.00 3.21 H new ATOM 1657 N LEU A 104 -12.337 2.096 -4.708 1.00 14.41 N ATOM 1658 CA LEU A 104 -12.943 1.791 -3.416 1.00 64.32 C ATOM 1659 C LEU A 104 -12.701 2.921 -2.421 1.00 14.02 C ATOM 1660 O LEU A 104 -13.471 3.106 -1.478 1.00 65.51 O ATOM 1661 CB LEU A 104 -12.379 0.480 -2.864 1.00 3.41 C ATOM 1662 CG LEU A 104 -13.034 -0.047 -1.587 1.00 10.11 C ATOM 1663 CD1 LEU A 104 -14.279 -0.855 -1.920 1.00 43.30 C ATOM 1664 CD2 LEU A 104 -12.048 -0.888 -0.789 1.00 42.35 C ATOM 0 H LEU A 104 -11.391 1.733 -4.827 1.00 14.41 H new ATOM 0 HA LEU A 104 -14.018 1.685 -3.562 1.00 64.32 H new ATOM 0 HB2 LEU A 104 -12.468 -0.284 -3.636 1.00 3.41 H new ATOM 0 HB3 LEU A 104 -11.315 0.618 -2.673 1.00 3.41 H new ATOM 0 HG LEU A 104 -13.331 0.805 -0.976 1.00 10.11 H new ATOM 0 HD11 LEU A 104 -14.732 -1.222 -0.999 1.00 43.30 H new ATOM 0 HD12 LEU A 104 -14.993 -0.223 -2.448 1.00 43.30 H new ATOM 0 HD13 LEU A 104 -14.006 -1.700 -2.552 1.00 43.30 H new ATOM 0 HD21 LEU A 104 -12.532 -1.255 0.116 1.00 42.35 H new ATOM 0 HD22 LEU A 104 -11.719 -1.734 -1.393 1.00 42.35 H new ATOM 0 HD23 LEU A 104 -11.186 -0.279 -0.518 1.00 42.35 H new ATOM 1676 N MET A 105 -11.629 3.676 -2.639 1.00 34.23 N ATOM 1677 CA MET A 105 -11.289 4.791 -1.762 1.00 72.43 C ATOM 1678 C MET A 105 -10.354 5.769 -2.466 1.00 14.44 C ATOM 1679 O MET A 105 -9.409 5.362 -3.140 1.00 1.33 O ATOM 1680 CB MET A 105 -10.636 4.276 -0.478 1.00 43.50 C ATOM 1681 CG MET A 105 -9.804 5.325 0.242 1.00 0.15 C ATOM 1682 SD MET A 105 -9.897 5.173 2.037 1.00 63.33 S ATOM 1683 CE MET A 105 -8.430 4.201 2.370 1.00 23.42 C ATOM 0 H MET A 105 -10.981 3.536 -3.415 1.00 34.23 H new ATOM 0 HA MET A 105 -12.210 5.316 -1.507 1.00 72.43 H new ATOM 0 HB2 MET A 105 -11.413 3.915 0.196 1.00 43.50 H new ATOM 0 HB3 MET A 105 -10.001 3.423 -0.719 1.00 43.50 H new ATOM 0 HG2 MET A 105 -8.764 5.237 -0.073 1.00 0.15 H new ATOM 0 HG3 MET A 105 -10.144 6.318 -0.053 1.00 0.15 H new ATOM 0 HE1 MET A 105 -8.167 4.288 3.424 1.00 23.42 H new ATOM 0 HE2 MET A 105 -8.624 3.156 2.129 1.00 23.42 H new ATOM 0 HE3 MET A 105 -7.605 4.567 1.759 1.00 23.42 H new ATOM 1693 N GLU A 106 -10.626 7.061 -2.304 1.00 30.32 N ATOM 1694 CA GLU A 106 -9.809 8.096 -2.925 1.00 42.21 C ATOM 1695 C GLU A 106 -9.483 9.204 -1.927 1.00 64.41 C ATOM 1696 O GLU A 106 -10.338 10.024 -1.593 1.00 0.31 O ATOM 1697 CB GLU A 106 -10.529 8.685 -4.140 1.00 11.32 C ATOM 1698 CG GLU A 106 -9.594 9.072 -5.273 1.00 51.23 C ATOM 1699 CD GLU A 106 -9.144 10.518 -5.191 1.00 33.13 C ATOM 1700 OE1 GLU A 106 -8.303 10.828 -4.321 1.00 40.03 O ATOM 1701 OE2 GLU A 106 -9.633 11.339 -5.995 1.00 31.24 O ATOM 0 H GLU A 106 -11.405 7.415 -1.749 1.00 30.32 H new ATOM 0 HA GLU A 106 -8.875 7.638 -3.252 1.00 42.21 H new ATOM 0 HB2 GLU A 106 -11.253 7.959 -4.510 1.00 11.32 H new ATOM 0 HB3 GLU A 106 -11.091 9.565 -3.827 1.00 11.32 H new ATOM 0 HG2 GLU A 106 -8.719 8.422 -5.255 1.00 51.23 H new ATOM 0 HG3 GLU A 106 -10.096 8.905 -6.226 1.00 51.23 H new ATOM 1708 N CYS A 107 -8.241 9.219 -1.455 1.00 51.41 N ATOM 1709 CA CYS A 107 -7.801 10.225 -0.494 1.00 72.40 C ATOM 1710 C CYS A 107 -6.298 10.460 -0.603 1.00 31.43 C ATOM 1711 O CYS A 107 -5.613 9.809 -1.391 1.00 30.04 O ATOM 1712 CB CYS A 107 -8.161 9.792 0.928 1.00 5.22 C ATOM 1713 SG CYS A 107 -9.817 10.291 1.455 1.00 22.11 S ATOM 0 H CYS A 107 -7.522 8.547 -1.722 1.00 51.41 H new ATOM 0 HA CYS A 107 -8.313 11.160 -0.722 1.00 72.40 H new ATOM 0 HB2 CYS A 107 -8.081 8.707 0.997 1.00 5.22 H new ATOM 0 HB3 CYS A 107 -7.430 10.210 1.620 1.00 5.22 H new ATOM 0 HG CYS A 107 -10.594 10.380 0.417 1.00 22.11 H new ATOM 1719 N GLY A 108 -5.791 11.396 0.194 1.00 55.12 N ATOM 1720 CA GLY A 108 -4.373 11.702 0.170 1.00 10.04 C ATOM 1721 C GLY A 108 -4.038 12.826 -0.790 1.00 71.43 C ATOM 1722 O GLY A 108 -4.926 13.392 -1.427 1.00 63.25 O ATOM 0 H GLY A 108 -6.337 11.948 0.856 1.00 55.12 H new ATOM 0 HA2 GLY A 108 -4.047 11.976 1.173 1.00 10.04 H new ATOM 0 HA3 GLY A 108 -3.817 10.809 -0.113 1.00 10.04 H new ATOM 1726 N ALA A 109 -2.754 13.151 -0.894 1.00 25.54 N ATOM 1727 CA ALA A 109 -2.304 14.214 -1.783 1.00 64.35 C ATOM 1728 C ALA A 109 -1.505 13.649 -2.954 1.00 15.03 C ATOM 1729 O ALA A 109 -0.985 12.535 -2.901 1.00 62.41 O ATOM 1730 CB ALA A 109 -1.470 15.228 -1.015 1.00 14.35 C ATOM 0 H ALA A 109 -2.006 12.693 -0.373 1.00 25.54 H new ATOM 0 HA ALA A 109 -3.185 14.714 -2.185 1.00 64.35 H new ATOM 0 HB1 ALA A 109 -1.141 16.016 -1.692 1.00 14.35 H new ATOM 0 HB2 ALA A 109 -2.071 15.663 -0.217 1.00 14.35 H new ATOM 0 HB3 ALA A 109 -0.600 14.732 -0.585 1.00 14.35 H new ATOM 1736 N PRO A 110 -1.406 14.434 -4.037 1.00 31.02 N ATOM 1737 CA PRO A 110 -0.673 14.032 -5.241 1.00 2.41 C ATOM 1738 C PRO A 110 0.834 13.988 -5.014 1.00 4.10 C ATOM 1739 O PRO A 110 1.505 15.020 -5.035 1.00 3.13 O ATOM 1740 CB PRO A 110 -1.029 15.123 -6.254 1.00 12.53 C ATOM 1741 CG PRO A 110 -1.373 16.313 -5.424 1.00 65.54 C ATOM 1742 CD PRO A 110 -2.002 15.774 -4.169 1.00 44.31 C ATOM 0 HA PRO A 110 -0.941 13.026 -5.565 1.00 2.41 H new ATOM 0 HB2 PRO A 110 -0.192 15.333 -6.920 1.00 12.53 H new ATOM 0 HB3 PRO A 110 -1.868 14.822 -6.882 1.00 12.53 H new ATOM 0 HG2 PRO A 110 -0.483 16.899 -5.194 1.00 65.54 H new ATOM 0 HG3 PRO A 110 -2.061 16.972 -5.953 1.00 65.54 H new ATOM 0 HD2 PRO A 110 -1.777 16.401 -3.306 1.00 44.31 H new ATOM 0 HD3 PRO A 110 -3.088 15.724 -4.253 1.00 44.31 H new ATOM 1750 N ARG A 111 1.361 12.787 -4.798 1.00 35.11 N ATOM 1751 CA ARG A 111 2.789 12.609 -4.566 1.00 71.14 C ATOM 1752 C ARG A 111 3.582 12.857 -5.846 1.00 2.30 C ATOM 1753 O ARG A 111 3.063 12.700 -6.951 1.00 15.12 O ATOM 1754 CB ARG A 111 3.071 11.199 -4.045 1.00 32.25 C ATOM 1755 CG ARG A 111 3.005 11.085 -2.530 1.00 44.42 C ATOM 1756 CD ARG A 111 4.086 11.921 -1.862 1.00 13.31 C ATOM 1757 NE ARG A 111 5.407 11.662 -2.428 1.00 31.03 N ATOM 1758 CZ ARG A 111 6.448 12.470 -2.263 1.00 43.13 C ATOM 1759 NH1 ARG A 111 6.323 13.583 -1.553 1.00 73.41 N ATOM 1760 NH2 ARG A 111 7.619 12.166 -2.810 1.00 34.45 N ATOM 0 H ARG A 111 0.820 11.923 -4.779 1.00 35.11 H new ATOM 0 HA ARG A 111 3.103 13.336 -3.817 1.00 71.14 H new ATOM 0 HB2 ARG A 111 2.352 10.508 -4.485 1.00 32.25 H new ATOM 0 HB3 ARG A 111 4.060 10.887 -4.382 1.00 32.25 H new ATOM 0 HG2 ARG A 111 2.025 11.410 -2.182 1.00 44.42 H new ATOM 0 HG3 ARG A 111 3.117 10.041 -2.237 1.00 44.42 H new ATOM 0 HD2 ARG A 111 3.846 12.979 -1.972 1.00 13.31 H new ATOM 0 HD3 ARG A 111 4.101 11.707 -0.793 1.00 13.31 H new ATOM 0 HE ARG A 111 5.537 10.814 -2.980 1.00 31.03 H new ATOM 0 HH11 ARG A 111 5.425 13.821 -1.131 1.00 73.41 H new ATOM 0 HH12 ARG A 111 7.125 14.201 -1.428 1.00 73.41 H new ATOM 0 HH21 ARG A 111 7.720 11.311 -3.358 1.00 34.45 H new ATOM 0 HH22 ARG A 111 8.418 12.787 -2.683 1.00 34.45 H new ATOM 1774 N SER A 112 4.843 13.246 -5.688 1.00 43.52 N ATOM 1775 CA SER A 112 5.707 13.521 -6.830 1.00 62.15 C ATOM 1776 C SER A 112 7.162 13.656 -6.391 1.00 50.02 C ATOM 1777 O SER A 112 7.448 14.141 -5.297 1.00 51.20 O ATOM 1778 CB SER A 112 5.257 14.798 -7.542 1.00 52.12 C ATOM 1779 OG SER A 112 5.185 15.887 -6.638 1.00 53.24 O ATOM 0 H SER A 112 5.289 13.378 -4.780 1.00 43.52 H new ATOM 0 HA SER A 112 5.631 12.682 -7.522 1.00 62.15 H new ATOM 0 HB2 SER A 112 5.953 15.034 -8.346 1.00 52.12 H new ATOM 0 HB3 SER A 112 4.282 14.638 -8.002 1.00 52.12 H new ATOM 0 HG SER A 112 4.897 16.692 -7.117 1.00 53.24 H new ATOM 1785 N GLN A 113 8.076 13.223 -7.253 1.00 64.11 N ATOM 1786 CA GLN A 113 9.502 13.295 -6.954 1.00 73.52 C ATOM 1787 C GLN A 113 10.092 14.617 -7.431 1.00 42.24 C ATOM 1788 O GLN A 113 10.757 15.322 -6.673 1.00 32.43 O ATOM 1789 CB GLN A 113 10.241 12.127 -7.609 1.00 70.52 C ATOM 1790 CG GLN A 113 10.360 10.903 -6.714 1.00 44.53 C ATOM 1791 CD GLN A 113 11.338 11.108 -5.574 1.00 14.25 C ATOM 1792 OE1 GLN A 113 12.545 10.932 -5.736 1.00 63.41 O ATOM 1793 NE2 GLN A 113 10.819 11.483 -4.410 1.00 3.21 N ATOM 0 H GLN A 113 7.855 12.819 -8.163 1.00 64.11 H new ATOM 0 HA GLN A 113 9.625 13.233 -5.873 1.00 73.52 H new ATOM 0 HB2 GLN A 113 9.721 11.847 -8.526 1.00 70.52 H new ATOM 0 HB3 GLN A 113 11.240 12.455 -7.896 1.00 70.52 H new ATOM 0 HG2 GLN A 113 9.379 10.658 -6.307 1.00 44.53 H new ATOM 0 HG3 GLN A 113 10.679 10.049 -7.312 1.00 44.53 H new ATOM 0 HE21 GLN A 113 9.812 11.617 -4.320 1.00 3.21 H new ATOM 0 HE22 GLN A 113 11.428 11.637 -3.606 1.00 3.21 H new ATOM 1802 N GLY A 114 9.845 14.949 -8.695 1.00 60.42 N ATOM 1803 CA GLY A 114 10.360 16.186 -9.252 1.00 71.21 C ATOM 1804 C GLY A 114 11.489 15.953 -10.236 1.00 50.13 C ATOM 1805 O GLY A 114 11.281 15.375 -11.303 1.00 1.23 O ATOM 0 H GLY A 114 9.297 14.383 -9.343 1.00 60.42 H new ATOM 0 HA2 GLY A 114 9.552 16.720 -9.751 1.00 71.21 H new ATOM 0 HA3 GLY A 114 10.713 16.826 -8.443 1.00 71.21 H new ATOM 1809 N GLN A 115 12.686 16.405 -9.879 1.00 4.44 N ATOM 1810 CA GLN A 115 13.852 16.245 -10.740 1.00 72.02 C ATOM 1811 C GLN A 115 14.822 15.221 -10.159 1.00 55.31 C ATOM 1812 O GLN A 115 15.912 15.572 -9.707 1.00 71.53 O ATOM 1813 CB GLN A 115 14.561 17.587 -10.929 1.00 61.04 C ATOM 1814 CG GLN A 115 13.668 18.670 -11.513 1.00 2.12 C ATOM 1815 CD GLN A 115 14.393 19.546 -12.516 1.00 14.11 C ATOM 1816 OE1 GLN A 115 14.428 19.245 -13.709 1.00 74.13 O ATOM 1817 NE2 GLN A 115 14.976 20.638 -12.036 1.00 1.11 N ATOM 0 H GLN A 115 12.874 16.885 -8.999 1.00 4.44 H new ATOM 0 HA GLN A 115 13.509 15.884 -11.710 1.00 72.02 H new ATOM 0 HB2 GLN A 115 14.945 17.924 -9.966 1.00 61.04 H new ATOM 0 HB3 GLN A 115 15.421 17.445 -11.583 1.00 61.04 H new ATOM 0 HG2 GLN A 115 12.809 18.205 -11.996 1.00 2.12 H new ATOM 0 HG3 GLN A 115 13.282 19.292 -10.705 1.00 2.12 H new ATOM 0 HE21 GLN A 115 14.922 20.849 -11.040 1.00 1.11 H new ATOM 0 HE22 GLN A 115 15.478 21.266 -12.664 1.00 1.11 H new ATOM 1826 N ARG A 116 14.417 13.955 -10.174 1.00 10.52 N ATOM 1827 CA ARG A 116 15.250 12.881 -9.647 1.00 13.12 C ATOM 1828 C ARG A 116 15.666 13.172 -8.208 1.00 31.22 C ATOM 1829 O ARG A 116 14.941 12.852 -7.265 1.00 44.22 O ATOM 1830 CB ARG A 116 16.492 12.694 -10.520 1.00 55.24 C ATOM 1831 CG ARG A 116 16.180 12.567 -12.003 1.00 0.44 C ATOM 1832 CD ARG A 116 17.430 12.251 -12.809 1.00 54.24 C ATOM 1833 NE ARG A 116 18.159 13.459 -13.185 1.00 11.50 N ATOM 1834 CZ ARG A 116 17.793 14.260 -14.180 1.00 74.51 C ATOM 1835 NH1 ARG A 116 16.712 13.981 -14.895 1.00 54.04 N ATOM 1836 NH2 ARG A 116 18.508 15.341 -14.461 1.00 41.11 N ATOM 0 H ARG A 116 13.518 13.648 -10.545 1.00 10.52 H new ATOM 0 HA ARG A 116 14.664 11.962 -9.659 1.00 13.12 H new ATOM 0 HB2 ARG A 116 17.162 13.540 -10.369 1.00 55.24 H new ATOM 0 HB3 ARG A 116 17.026 11.802 -10.192 1.00 55.24 H new ATOM 0 HG2 ARG A 116 15.440 11.781 -12.154 1.00 0.44 H new ATOM 0 HG3 ARG A 116 15.738 13.496 -12.364 1.00 0.44 H new ATOM 0 HD2 ARG A 116 18.082 11.601 -12.226 1.00 54.24 H new ATOM 0 HD3 ARG A 116 17.152 11.701 -13.708 1.00 54.24 H new ATOM 0 HE ARG A 116 18.996 13.701 -12.654 1.00 11.50 H new ATOM 0 HH11 ARG A 116 16.160 13.150 -14.682 1.00 54.04 H new ATOM 0 HH12 ARG A 116 16.433 14.597 -15.658 1.00 54.04 H new ATOM 0 HH21 ARG A 116 19.340 15.559 -13.913 1.00 41.11 H new ATOM 0 HH22 ARG A 116 18.226 15.955 -15.225 1.00 41.11 H new TER 1850 ARG A 116