USER MOD reduce.3.24.130724 H: found=0, std=0, add=1200, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1200 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 119 TYR OH : rot -1:sc= 1.14 USER MOD Set 1.2: A 123 LYS NZ :NH3+ 137:sc= 1.13 (180deg=-0.0755) USER MOD Set 2.1: A 111 GLN : amide:sc= 0.474 K(o=3.3,f=0.044!) USER MOD Set 2.2: A 114 LYS NZ :NH3+ -135:sc= 1.14 (180deg=0) USER MOD Set 2.3: A 115 TYR OH : rot 167:sc= 1.71 USER MOD Set 3.1: A 5 HIS : no HD1:sc=0.000137 X(o=0.5,f=0.47) USER MOD Set 3.2: A 107 THR OG1 : rot 81:sc= 0.504 USER MOD Set 4.1: A 46 MET CE :methyl 158:sc= -6.13! (180deg=-6.6!) USER MOD Set 4.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 44 SER OG : rot 50:sc= -1.68! USER MOD Set 5.2: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0973 (180deg=-0.562) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0396 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.321 K(o=0.32,f=-3.3!) USER MOD Single : A 4 HIS : no HD1:sc= -0.728 K(o=-0.73,f=-0.084) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 7 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.82) USER MOD Single : A 8 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.0041) USER MOD Single : A 9 SER OG : rot 42:sc= 0.697 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.0544 (180deg=-0.365) USER MOD Single : A 14 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0978 K(o=-0.098,f=-0.63) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0.1 X(o=0.1,f=-0.047) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= 0.86 (180deg=0.0272) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0565) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 59 MET CE :methyl 162:sc= -0.0419 (180deg=-0.377) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.043) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -0.0507 (180deg=-0.366) USER MOD Single : A 70 TYR OH : rot 180:sc=-0.00278 USER MOD Single : A 74 THR OG1 : rot -79:sc= 0.851 USER MOD Single : A 76 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.505) USER MOD Single : A 84 ASN : amide:sc= -1.99 K(o=-2,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -128:sc= -0.306 (180deg=-0.739) USER MOD Single : A 92 THR OG1 : rot -177:sc= -0.792 USER MOD Single : A 93 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.04) USER MOD Single : A 96 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.22) USER MOD Single : A 99 THR OG1 : rot -19:sc= 0.458 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -11:sc= 0.747 USER MOD Single : A 113 MET CE :methyl -168:sc= -0.772 (180deg=-0.955) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0423 USER MOD Single : A 121 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot -82:sc= 0.0323 USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= 0.266 X(o=0.27,f=-0.066) USER MOD Single : A 138 SER OG : rot 70:sc= 1.02 USER MOD Single : A 139 ASN : amide:sc= -0.644 K(o=-0.64,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.014 -0.023 -21.689 1.00 45.00 N ATOM 2 CA MET A 1 6.566 0.508 -20.371 1.00 73.34 C ATOM 3 C MET A 1 6.158 -0.631 -19.428 1.00 24.22 C ATOM 4 O MET A 1 5.734 -1.697 -19.878 1.00 44.15 O ATOM 5 CB MET A 1 5.378 1.465 -20.561 1.00 2.40 C ATOM 6 CG MET A 1 4.950 2.186 -19.285 1.00 35.13 C ATOM 7 SD MET A 1 3.423 3.124 -19.488 1.00 21.14 S ATOM 8 CE MET A 1 2.236 1.804 -19.737 1.00 64.12 C ATOM 0 H1 MET A 1 6.520 0.482 -22.453 1.00 45.00 H new ATOM 0 H2 MET A 1 8.040 0.116 -21.789 1.00 45.00 H new ATOM 0 H3 MET A 1 6.795 -1.038 -21.747 1.00 45.00 H new ATOM 0 HA MET A 1 7.402 1.047 -19.925 1.00 73.34 H new ATOM 0 HB2 MET A 1 5.640 2.207 -21.315 1.00 2.40 H new ATOM 0 HB3 MET A 1 4.530 0.902 -20.950 1.00 2.40 H new ATOM 0 HG2 MET A 1 4.818 1.455 -18.487 1.00 35.13 H new ATOM 0 HG3 MET A 1 5.746 2.861 -18.970 1.00 35.13 H new ATOM 0 HE1 MET A 1 1.232 2.173 -19.525 1.00 64.12 H new ATOM 0 HE2 MET A 1 2.286 1.460 -20.770 1.00 64.12 H new ATOM 0 HE3 MET A 1 2.467 0.976 -19.067 1.00 64.12 H new ATOM 20 N GLY A 2 6.295 -0.406 -18.121 1.00 52.44 N ATOM 21 CA GLY A 2 5.830 -1.378 -17.136 1.00 74.15 C ATOM 22 C GLY A 2 6.872 -1.713 -16.075 1.00 4.51 C ATOM 23 O GLY A 2 7.980 -1.172 -16.081 1.00 2.14 O ATOM 0 H GLY A 2 6.720 0.432 -17.724 1.00 52.44 H new ATOM 0 HA2 GLY A 2 4.937 -0.989 -16.647 1.00 74.15 H new ATOM 0 HA3 GLY A 2 5.539 -2.294 -17.650 1.00 74.15 H new ATOM 27 N HIS A 3 6.515 -2.604 -15.151 1.00 12.33 N ATOM 28 CA HIS A 3 7.451 -3.049 -14.114 1.00 12.21 C ATOM 29 C HIS A 3 8.560 -3.931 -14.717 1.00 33.04 C ATOM 30 O HIS A 3 8.474 -5.161 -14.700 1.00 32.45 O ATOM 31 CB HIS A 3 6.713 -3.784 -12.977 1.00 24.43 C ATOM 32 CG HIS A 3 5.684 -4.777 -13.440 1.00 34.45 C ATOM 33 ND1 HIS A 3 5.991 -5.927 -14.135 1.00 33.12 N ATOM 34 CD2 HIS A 3 4.338 -4.781 -13.299 1.00 75.12 C ATOM 35 CE1 HIS A 3 4.883 -6.589 -14.398 1.00 65.24 C ATOM 36 NE2 HIS A 3 3.864 -5.917 -13.905 1.00 75.22 N ATOM 0 H HIS A 3 5.590 -3.031 -15.097 1.00 12.33 H new ATOM 0 HA HIS A 3 7.922 -2.164 -13.685 1.00 12.21 H new ATOM 0 HB2 HIS A 3 7.447 -4.302 -12.360 1.00 24.43 H new ATOM 0 HB3 HIS A 3 6.226 -3.045 -12.340 1.00 24.43 H new ATOM 0 HD1 HIS A 3 6.930 -6.220 -14.404 1.00 33.12 H new ATOM 0 HD2 HIS A 3 3.746 -4.028 -12.801 1.00 75.12 H new ATOM 0 HE1 HIS A 3 4.821 -7.527 -14.930 1.00 65.24 H new ATOM 45 N HIS A 4 9.594 -3.284 -15.263 1.00 41.22 N ATOM 46 CA HIS A 4 10.674 -3.990 -15.970 1.00 34.51 C ATOM 47 C HIS A 4 11.358 -5.067 -15.106 1.00 74.00 C ATOM 48 O HIS A 4 12.326 -4.805 -14.393 1.00 41.14 O ATOM 49 CB HIS A 4 11.712 -2.997 -16.538 1.00 23.24 C ATOM 50 CG HIS A 4 12.171 -1.934 -15.579 1.00 5.43 C ATOM 51 ND1 HIS A 4 11.817 -0.607 -15.707 1.00 63.31 N ATOM 52 CD2 HIS A 4 12.979 -1.994 -14.491 1.00 22.10 C ATOM 53 CE1 HIS A 4 12.381 0.096 -14.748 1.00 22.05 C ATOM 54 NE2 HIS A 4 13.090 -0.718 -13.997 1.00 35.23 N ATOM 0 H HIS A 4 9.709 -2.271 -15.230 1.00 41.22 H new ATOM 0 HA HIS A 4 10.202 -4.513 -16.802 1.00 34.51 H new ATOM 0 HB2 HIS A 4 12.582 -3.559 -16.876 1.00 23.24 H new ATOM 0 HB3 HIS A 4 11.285 -2.512 -17.416 1.00 23.24 H new ATOM 0 HD2 HIS A 4 13.447 -2.880 -14.089 1.00 22.10 H new ATOM 0 HE1 HIS A 4 12.279 1.161 -14.602 1.00 22.05 H new ATOM 0 HE2 HIS A 4 13.635 -0.445 -13.179 1.00 35.23 H new ATOM 63 N HIS A 5 10.808 -6.274 -15.157 1.00 22.52 N ATOM 64 CA HIS A 5 11.439 -7.463 -14.581 1.00 13.43 C ATOM 65 C HIS A 5 11.799 -8.444 -15.704 1.00 50.35 C ATOM 66 O HIS A 5 10.919 -9.068 -16.298 1.00 75.35 O ATOM 67 CB HIS A 5 10.504 -8.138 -13.561 1.00 21.23 C ATOM 68 CG HIS A 5 10.419 -7.436 -12.236 1.00 13.21 C ATOM 69 ND1 HIS A 5 10.803 -8.028 -11.052 1.00 34.21 N ATOM 70 CD2 HIS A 5 9.982 -6.196 -11.904 1.00 40.25 C ATOM 71 CE1 HIS A 5 10.607 -7.193 -10.054 1.00 31.04 C ATOM 72 NE2 HIS A 5 10.111 -6.073 -10.541 1.00 62.53 N ATOM 0 H HIS A 5 9.908 -6.460 -15.600 1.00 22.52 H new ATOM 0 HA HIS A 5 12.347 -7.163 -14.058 1.00 13.43 H new ATOM 0 HB2 HIS A 5 9.504 -8.201 -13.990 1.00 21.23 H new ATOM 0 HB3 HIS A 5 10.845 -9.160 -13.395 1.00 21.23 H new ATOM 0 HD2 HIS A 5 9.604 -5.446 -12.583 1.00 40.25 H new ATOM 0 HE1 HIS A 5 10.817 -7.391 -9.013 1.00 31.04 H new ATOM 0 HE2 HIS A 5 9.863 -5.248 -9.995 1.00 62.53 H new ATOM 81 N HIS A 6 13.088 -8.555 -16.021 1.00 72.34 N ATOM 82 CA HIS A 6 13.536 -9.407 -17.127 1.00 12.13 C ATOM 83 C HIS A 6 13.608 -10.882 -16.711 1.00 72.33 C ATOM 84 O HIS A 6 12.727 -11.666 -17.065 1.00 13.24 O ATOM 85 CB HIS A 6 14.882 -8.913 -17.672 1.00 64.52 C ATOM 86 CG HIS A 6 14.757 -7.685 -18.526 1.00 35.43 C ATOM 87 ND1 HIS A 6 15.005 -7.687 -19.880 1.00 44.33 N ATOM 88 CD2 HIS A 6 14.399 -6.417 -18.216 1.00 4.31 C ATOM 89 CE1 HIS A 6 14.808 -6.479 -20.367 1.00 51.34 C ATOM 90 NE2 HIS A 6 14.438 -5.689 -19.381 1.00 15.32 N ATOM 0 H HIS A 6 13.839 -8.069 -15.532 1.00 72.34 H new ATOM 0 HA HIS A 6 12.798 -9.338 -17.926 1.00 12.13 H new ATOM 0 HB2 HIS A 6 15.549 -8.701 -16.837 1.00 64.52 H new ATOM 0 HB3 HIS A 6 15.345 -9.709 -18.256 1.00 64.52 H new ATOM 0 HD2 HIS A 6 14.133 -6.047 -17.237 1.00 4.31 H new ATOM 0 HE1 HIS A 6 14.929 -6.186 -21.400 1.00 51.34 H new ATOM 0 HE2 HIS A 6 14.216 -4.697 -19.468 1.00 15.32 H new ATOM 99 N HIS A 7 14.647 -11.265 -15.967 1.00 24.25 N ATOM 100 CA HIS A 7 14.730 -12.626 -15.423 1.00 22.14 C ATOM 101 C HIS A 7 13.539 -12.893 -14.485 1.00 51.14 C ATOM 102 O HIS A 7 13.424 -12.279 -13.422 1.00 43.40 O ATOM 103 CB HIS A 7 16.067 -12.847 -14.691 1.00 23.01 C ATOM 104 CG HIS A 7 16.302 -11.903 -13.549 1.00 13.12 C ATOM 105 ND1 HIS A 7 16.001 -12.209 -12.239 1.00 73.43 N ATOM 106 CD2 HIS A 7 16.827 -10.656 -13.525 1.00 74.35 C ATOM 107 CE1 HIS A 7 16.323 -11.194 -11.465 1.00 63.33 C ATOM 108 NE2 HIS A 7 16.829 -10.238 -12.218 1.00 43.44 N ATOM 0 H HIS A 7 15.435 -10.662 -15.728 1.00 24.25 H new ATOM 0 HA HIS A 7 14.686 -13.334 -16.251 1.00 22.14 H new ATOM 0 HB2 HIS A 7 16.099 -13.870 -14.316 1.00 23.01 H new ATOM 0 HB3 HIS A 7 16.882 -12.745 -15.407 1.00 23.01 H new ATOM 0 HD2 HIS A 7 17.179 -10.094 -14.377 1.00 74.35 H new ATOM 0 HE1 HIS A 7 16.194 -11.152 -10.394 1.00 63.33 H new ATOM 0 HE2 HIS A 7 17.167 -9.335 -11.884 1.00 43.44 H new ATOM 117 N HIS A 8 12.648 -13.789 -14.899 1.00 55.53 N ATOM 118 CA HIS A 8 11.401 -14.034 -14.174 1.00 33.21 C ATOM 119 C HIS A 8 11.649 -14.600 -12.766 1.00 72.43 C ATOM 120 O HIS A 8 12.222 -15.679 -12.604 1.00 63.04 O ATOM 121 CB HIS A 8 10.502 -14.985 -14.974 1.00 13.24 C ATOM 122 CG HIS A 8 9.106 -15.087 -14.430 1.00 25.31 C ATOM 123 ND1 HIS A 8 8.127 -14.151 -14.693 1.00 53.42 N ATOM 124 CD2 HIS A 8 8.525 -16.011 -13.626 1.00 44.21 C ATOM 125 CE1 HIS A 8 7.013 -14.492 -14.076 1.00 22.04 C ATOM 126 NE2 HIS A 8 7.226 -15.612 -13.424 1.00 63.15 N ATOM 0 H HIS A 8 12.765 -14.360 -15.736 1.00 55.53 H new ATOM 0 HA HIS A 8 10.900 -13.073 -14.055 1.00 33.21 H new ATOM 0 HB2 HIS A 8 10.457 -14.645 -16.009 1.00 13.24 H new ATOM 0 HB3 HIS A 8 10.953 -15.977 -14.984 1.00 13.24 H new ATOM 0 HD2 HIS A 8 8.995 -16.895 -13.220 1.00 44.21 H new ATOM 0 HE1 HIS A 8 6.083 -13.943 -14.102 1.00 22.04 H new ATOM 0 HE2 HIS A 8 6.537 -16.107 -12.858 1.00 63.15 H new ATOM 135 N SER A 9 11.207 -13.859 -11.753 1.00 12.35 N ATOM 136 CA SER A 9 11.314 -14.298 -10.356 1.00 12.23 C ATOM 137 C SER A 9 10.359 -15.466 -10.067 1.00 12.13 C ATOM 138 O SER A 9 9.159 -15.268 -9.864 1.00 21.25 O ATOM 139 CB SER A 9 11.005 -13.132 -9.404 1.00 63.44 C ATOM 140 OG SER A 9 9.709 -12.599 -9.650 1.00 32.01 O ATOM 0 H SER A 9 10.768 -12.946 -11.870 1.00 12.35 H new ATOM 0 HA SER A 9 12.337 -14.638 -10.192 1.00 12.23 H new ATOM 0 HB2 SER A 9 11.071 -13.475 -8.371 1.00 63.44 H new ATOM 0 HB3 SER A 9 11.753 -12.349 -9.528 1.00 63.44 H new ATOM 0 HG SER A 9 9.079 -13.332 -9.809 1.00 32.01 H new ATOM 146 N HIS A 10 10.894 -16.685 -10.070 1.00 74.00 N ATOM 147 CA HIS A 10 10.099 -17.885 -9.783 1.00 12.40 C ATOM 148 C HIS A 10 10.910 -18.894 -8.957 1.00 44.15 C ATOM 149 O HIS A 10 11.599 -19.759 -9.500 1.00 11.14 O ATOM 150 CB HIS A 10 9.613 -18.518 -11.094 1.00 42.20 C ATOM 151 CG HIS A 10 8.766 -19.742 -10.913 1.00 73.12 C ATOM 152 ND1 HIS A 10 9.141 -20.987 -11.368 1.00 20.11 N ATOM 153 CD2 HIS A 10 7.548 -19.907 -10.342 1.00 20.15 C ATOM 154 CE1 HIS A 10 8.196 -21.860 -11.088 1.00 14.02 C ATOM 155 NE2 HIS A 10 7.218 -21.233 -10.465 1.00 32.43 N ATOM 0 H HIS A 10 11.877 -16.872 -10.268 1.00 74.00 H new ATOM 0 HA HIS A 10 9.230 -17.594 -9.193 1.00 12.40 H new ATOM 0 HB2 HIS A 10 9.043 -17.776 -11.652 1.00 42.20 H new ATOM 0 HB3 HIS A 10 10.480 -18.777 -11.702 1.00 42.20 H new ATOM 0 HD2 HIS A 10 6.949 -19.138 -9.877 1.00 20.15 H new ATOM 0 HE1 HIS A 10 8.218 -22.913 -11.328 1.00 14.02 H new ATOM 0 HE2 HIS A 10 6.356 -21.663 -10.129 1.00 32.43 H new ATOM 164 N MET A 11 10.839 -18.757 -7.636 1.00 22.12 N ATOM 165 CA MET A 11 11.603 -19.606 -6.716 1.00 31.02 C ATOM 166 C MET A 11 10.668 -20.289 -5.703 1.00 34.44 C ATOM 167 O MET A 11 9.674 -19.697 -5.277 1.00 62.41 O ATOM 168 CB MET A 11 12.652 -18.760 -5.974 1.00 21.03 C ATOM 169 CG MET A 11 13.609 -18.012 -6.896 1.00 32.53 C ATOM 170 SD MET A 11 14.728 -16.911 -6.000 1.00 62.12 S ATOM 171 CE MET A 11 15.655 -18.092 -5.018 1.00 52.12 C ATOM 0 H MET A 11 10.256 -18.061 -7.172 1.00 22.12 H new ATOM 0 HA MET A 11 12.107 -20.379 -7.296 1.00 31.02 H new ATOM 0 HB2 MET A 11 12.139 -18.039 -5.338 1.00 21.03 H new ATOM 0 HB3 MET A 11 13.230 -19.410 -5.317 1.00 21.03 H new ATOM 0 HG2 MET A 11 14.195 -18.733 -7.466 1.00 32.53 H new ATOM 0 HG3 MET A 11 13.033 -17.430 -7.615 1.00 32.53 H new ATOM 0 HE1 MET A 11 16.557 -17.617 -4.633 1.00 52.12 H new ATOM 0 HE2 MET A 11 15.041 -18.434 -4.185 1.00 52.12 H new ATOM 0 HE3 MET A 11 15.931 -18.945 -5.639 1.00 52.12 H new ATOM 181 N PRO A 12 10.972 -21.539 -5.298 1.00 53.01 N ATOM 182 CA PRO A 12 10.144 -22.273 -4.325 1.00 52.04 C ATOM 183 C PRO A 12 10.154 -21.625 -2.929 1.00 3.55 C ATOM 184 O PRO A 12 11.062 -21.853 -2.124 1.00 12.20 O ATOM 185 CB PRO A 12 10.781 -23.672 -4.290 1.00 41.21 C ATOM 186 CG PRO A 12 12.186 -23.457 -4.739 1.00 34.15 C ATOM 187 CD PRO A 12 12.133 -22.334 -5.742 1.00 65.43 C ATOM 0 HA PRO A 12 9.093 -22.283 -4.613 1.00 52.04 H new ATOM 0 HB2 PRO A 12 10.746 -24.098 -3.287 1.00 41.21 H new ATOM 0 HB3 PRO A 12 10.256 -24.363 -4.949 1.00 41.21 H new ATOM 0 HG2 PRO A 12 12.829 -23.199 -3.898 1.00 34.15 H new ATOM 0 HG3 PRO A 12 12.595 -24.362 -5.188 1.00 34.15 H new ATOM 0 HD2 PRO A 12 13.050 -21.745 -5.736 1.00 65.43 H new ATOM 0 HD3 PRO A 12 12.001 -22.707 -6.758 1.00 65.43 H new ATOM 195 N ASP A 13 9.152 -20.792 -2.667 1.00 54.11 N ATOM 196 CA ASP A 13 8.998 -20.135 -1.367 1.00 64.03 C ATOM 197 C ASP A 13 8.577 -21.155 -0.282 1.00 22.53 C ATOM 198 O ASP A 13 8.496 -22.357 -0.546 1.00 11.20 O ATOM 199 CB ASP A 13 7.976 -18.996 -1.507 1.00 44.40 C ATOM 200 CG ASP A 13 7.896 -18.126 -0.271 1.00 30.33 C ATOM 201 OD1 ASP A 13 8.879 -17.416 0.020 1.00 52.50 O ATOM 202 OD2 ASP A 13 6.861 -18.173 0.422 1.00 23.25 O ATOM 0 H ASP A 13 8.426 -20.552 -3.343 1.00 54.11 H new ATOM 0 HA ASP A 13 9.952 -19.715 -1.049 1.00 64.03 H new ATOM 0 HB2 ASP A 13 8.242 -18.378 -2.364 1.00 44.40 H new ATOM 0 HB3 ASP A 13 6.993 -19.419 -1.712 1.00 44.40 H new ATOM 207 N HIS A 14 8.332 -20.692 0.944 1.00 72.15 N ATOM 208 CA HIS A 14 7.941 -21.592 2.037 1.00 20.35 C ATOM 209 C HIS A 14 6.553 -21.227 2.606 1.00 24.43 C ATOM 210 O HIS A 14 6.152 -21.732 3.654 1.00 23.44 O ATOM 211 CB HIS A 14 9.010 -21.553 3.141 1.00 3.42 C ATOM 212 CG HIS A 14 9.055 -22.791 3.992 1.00 75.12 C ATOM 213 ND1 HIS A 14 9.844 -23.880 3.689 1.00 52.04 N ATOM 214 CD2 HIS A 14 8.414 -23.111 5.143 1.00 3.05 C ATOM 215 CE1 HIS A 14 9.689 -24.809 4.610 1.00 54.05 C ATOM 216 NE2 HIS A 14 8.829 -24.370 5.503 1.00 71.51 N ATOM 0 H HIS A 14 8.396 -19.709 1.207 1.00 72.15 H new ATOM 0 HA HIS A 14 7.869 -22.605 1.640 1.00 20.35 H new ATOM 0 HB2 HIS A 14 9.987 -21.405 2.681 1.00 3.42 H new ATOM 0 HB3 HIS A 14 8.825 -20.691 3.782 1.00 3.42 H new ATOM 0 HD2 HIS A 14 7.709 -22.492 5.677 1.00 3.05 H new ATOM 0 HE1 HIS A 14 10.184 -25.769 4.629 1.00 54.05 H new ATOM 0 HE2 HIS A 14 8.520 -24.882 6.329 1.00 71.51 H new ATOM 225 N GLY A 15 5.824 -20.357 1.905 1.00 33.45 N ATOM 226 CA GLY A 15 4.484 -19.956 2.341 1.00 2.15 C ATOM 227 C GLY A 15 3.415 -21.033 2.123 1.00 15.13 C ATOM 228 O GLY A 15 3.731 -22.206 1.911 1.00 30.55 O ATOM 0 H GLY A 15 6.136 -19.919 1.038 1.00 33.45 H new ATOM 0 HA2 GLY A 15 4.518 -19.700 3.400 1.00 2.15 H new ATOM 0 HA3 GLY A 15 4.192 -19.053 1.804 1.00 2.15 H new ATOM 232 N ASP A 16 2.144 -20.630 2.158 1.00 12.32 N ATOM 233 CA ASP A 16 1.020 -21.573 2.018 1.00 13.12 C ATOM 234 C ASP A 16 0.874 -22.119 0.581 1.00 44.04 C ATOM 235 O ASP A 16 -0.021 -22.920 0.312 1.00 33.35 O ATOM 236 CB ASP A 16 -0.290 -20.885 2.423 1.00 12.42 C ATOM 237 CG ASP A 16 -0.232 -20.273 3.811 1.00 20.41 C ATOM 238 OD1 ASP A 16 -0.521 -20.984 4.799 1.00 70.54 O ATOM 239 OD2 ASP A 16 0.086 -19.073 3.919 1.00 62.12 O ATOM 0 H ASP A 16 1.861 -19.658 2.282 1.00 12.32 H new ATOM 0 HA ASP A 16 1.233 -22.417 2.674 1.00 13.12 H new ATOM 0 HB2 ASP A 16 -0.525 -20.106 1.698 1.00 12.42 H new ATOM 0 HB3 ASP A 16 -1.102 -21.611 2.385 1.00 12.42 H new ATOM 244 N TRP A 17 1.760 -21.701 -0.328 1.00 64.30 N ATOM 245 CA TRP A 17 1.670 -22.091 -1.749 1.00 55.20 C ATOM 246 C TRP A 17 1.640 -23.622 -1.932 1.00 62.23 C ATOM 247 O TRP A 17 1.126 -24.123 -2.934 1.00 41.30 O ATOM 248 CB TRP A 17 2.847 -21.498 -2.541 1.00 0.04 C ATOM 249 CG TRP A 17 4.144 -22.221 -2.320 1.00 34.34 C ATOM 250 CD1 TRP A 17 4.956 -22.138 -1.227 1.00 35.24 C ATOM 251 CD2 TRP A 17 4.774 -23.143 -3.222 1.00 63.00 C ATOM 252 NE1 TRP A 17 6.045 -22.956 -1.390 1.00 4.24 N ATOM 253 CE2 TRP A 17 5.961 -23.578 -2.607 1.00 4.34 C ATOM 254 CE3 TRP A 17 4.449 -23.640 -4.488 1.00 42.11 C ATOM 255 CZ2 TRP A 17 6.822 -24.488 -3.212 1.00 2.22 C ATOM 256 CZ3 TRP A 17 5.306 -24.542 -5.090 1.00 53.20 C ATOM 257 CH2 TRP A 17 6.481 -24.958 -4.452 1.00 35.32 C ATOM 0 H TRP A 17 2.549 -21.093 -0.111 1.00 64.30 H new ATOM 0 HA TRP A 17 0.731 -21.692 -2.132 1.00 55.20 H new ATOM 0 HB2 TRP A 17 2.606 -21.518 -3.604 1.00 0.04 H new ATOM 0 HB3 TRP A 17 2.972 -20.452 -2.262 1.00 0.04 H new ATOM 0 HD1 TRP A 17 4.769 -21.520 -0.361 1.00 35.24 H new ATOM 0 HE1 TRP A 17 6.797 -23.081 -0.713 1.00 4.24 H new ATOM 0 HE3 TRP A 17 3.544 -23.325 -4.987 1.00 42.11 H new ATOM 0 HZ2 TRP A 17 7.728 -24.812 -2.721 1.00 2.22 H new ATOM 0 HZ3 TRP A 17 5.066 -24.932 -6.068 1.00 53.20 H new ATOM 0 HH2 TRP A 17 7.131 -25.664 -4.948 1.00 35.32 H new ATOM 268 N THR A 18 2.206 -24.354 -0.963 1.00 12.11 N ATOM 269 CA THR A 18 2.232 -25.828 -0.997 1.00 73.33 C ATOM 270 C THR A 18 0.828 -26.408 -1.207 1.00 51.50 C ATOM 271 O THR A 18 0.606 -27.228 -2.101 1.00 25.33 O ATOM 272 CB THR A 18 2.818 -26.420 0.310 1.00 33.34 C ATOM 273 OG1 THR A 18 1.998 -26.052 1.433 1.00 14.40 O ATOM 274 CG2 THR A 18 4.246 -25.935 0.545 1.00 2.33 C ATOM 0 H THR A 18 2.655 -23.950 -0.141 1.00 12.11 H new ATOM 0 HA THR A 18 2.871 -26.103 -1.836 1.00 73.33 H new ATOM 0 HB THR A 18 2.832 -27.505 0.206 1.00 33.34 H new ATOM 0 HG1 THR A 18 2.376 -26.433 2.253 1.00 14.40 H new ATOM 0 HG21 THR A 18 4.630 -26.367 1.469 1.00 2.33 H new ATOM 0 HG22 THR A 18 4.877 -26.243 -0.289 1.00 2.33 H new ATOM 0 HG23 THR A 18 4.253 -24.848 0.623 1.00 2.33 H new ATOM 282 N TYR A 19 -0.112 -25.978 -0.372 1.00 10.23 N ATOM 283 CA TYR A 19 -1.522 -26.358 -0.507 1.00 62.12 C ATOM 284 C TYR A 19 -2.409 -25.109 -0.578 1.00 51.45 C ATOM 285 O TYR A 19 -2.883 -24.606 0.443 1.00 33.23 O ATOM 286 CB TYR A 19 -1.966 -27.256 0.658 1.00 53.31 C ATOM 287 CG TYR A 19 -1.246 -28.592 0.716 1.00 53.22 C ATOM 288 CD1 TYR A 19 -1.409 -29.531 -0.298 1.00 63.42 C ATOM 289 CD2 TYR A 19 -0.410 -28.918 1.781 1.00 72.35 C ATOM 290 CE1 TYR A 19 -0.762 -30.750 -0.251 1.00 52.22 C ATOM 291 CE2 TYR A 19 0.235 -30.139 1.833 1.00 15.42 C ATOM 292 CZ TYR A 19 0.056 -31.051 0.816 1.00 3.35 C ATOM 293 OH TYR A 19 0.691 -32.271 0.871 1.00 21.45 O ATOM 0 H TYR A 19 0.076 -25.358 0.416 1.00 10.23 H new ATOM 0 HA TYR A 19 -1.630 -26.922 -1.434 1.00 62.12 H new ATOM 0 HB2 TYR A 19 -1.802 -26.725 1.596 1.00 53.31 H new ATOM 0 HB3 TYR A 19 -3.038 -27.436 0.577 1.00 53.31 H new ATOM 0 HD1 TYR A 19 -2.052 -29.303 -1.135 1.00 63.42 H new ATOM 0 HD2 TYR A 19 -0.263 -28.205 2.579 1.00 72.35 H new ATOM 0 HE1 TYR A 19 -0.897 -31.466 -1.049 1.00 52.22 H new ATOM 0 HE2 TYR A 19 0.877 -30.378 2.668 1.00 15.42 H new ATOM 0 HH TYR A 19 1.230 -32.323 1.688 1.00 21.45 H new ATOM 303 N GLU A 20 -2.615 -24.604 -1.792 1.00 11.33 N ATOM 304 CA GLU A 20 -3.388 -23.375 -2.000 1.00 11.41 C ATOM 305 C GLU A 20 -4.893 -23.597 -1.770 1.00 23.11 C ATOM 306 O GLU A 20 -5.671 -23.760 -2.713 1.00 34.21 O ATOM 307 CB GLU A 20 -3.129 -22.815 -3.411 1.00 23.30 C ATOM 308 CG GLU A 20 -3.949 -21.573 -3.772 1.00 1.23 C ATOM 309 CD GLU A 20 -3.660 -20.365 -2.887 1.00 2.54 C ATOM 310 OE1 GLU A 20 -2.587 -19.745 -3.056 1.00 65.00 O ATOM 311 OE2 GLU A 20 -4.520 -20.012 -2.048 1.00 65.34 O ATOM 0 H GLU A 20 -2.258 -25.025 -2.650 1.00 11.33 H new ATOM 0 HA GLU A 20 -3.054 -22.645 -1.263 1.00 11.41 H new ATOM 0 HB2 GLU A 20 -2.070 -22.572 -3.501 1.00 23.30 H new ATOM 0 HB3 GLU A 20 -3.340 -23.597 -4.141 1.00 23.30 H new ATOM 0 HG2 GLU A 20 -3.750 -21.307 -4.810 1.00 1.23 H new ATOM 0 HG3 GLU A 20 -5.009 -21.817 -3.703 1.00 1.23 H new ATOM 318 N GLU A 21 -5.282 -23.662 -0.502 1.00 72.33 N ATOM 319 CA GLU A 21 -6.695 -23.580 -0.120 1.00 73.50 C ATOM 320 C GLU A 21 -7.086 -22.101 -0.054 1.00 75.33 C ATOM 321 O GLU A 21 -8.014 -21.635 -0.720 1.00 72.53 O ATOM 322 CB GLU A 21 -6.930 -24.234 1.255 1.00 40.01 C ATOM 323 CG GLU A 21 -6.453 -25.681 1.369 1.00 53.10 C ATOM 324 CD GLU A 21 -7.168 -26.623 0.414 1.00 71.01 C ATOM 325 OE1 GLU A 21 -8.410 -26.547 0.309 1.00 2.14 O ATOM 326 OE2 GLU A 21 -6.494 -27.461 -0.215 1.00 21.33 O ATOM 0 H GLU A 21 -4.641 -23.771 0.284 1.00 72.33 H new ATOM 0 HA GLU A 21 -7.301 -24.109 -0.856 1.00 73.50 H new ATOM 0 HB2 GLU A 21 -6.424 -23.639 2.015 1.00 40.01 H new ATOM 0 HB3 GLU A 21 -7.996 -24.199 1.480 1.00 40.01 H new ATOM 0 HG2 GLU A 21 -5.381 -25.720 1.174 1.00 53.10 H new ATOM 0 HG3 GLU A 21 -6.604 -26.027 2.392 1.00 53.10 H new ATOM 333 N GLN A 22 -6.337 -21.387 0.774 1.00 4.24 N ATOM 334 CA GLN A 22 -6.401 -19.934 0.885 1.00 25.22 C ATOM 335 C GLN A 22 -5.199 -19.451 1.705 1.00 64.41 C ATOM 336 O GLN A 22 -5.117 -19.732 2.901 1.00 71.40 O ATOM 337 CB GLN A 22 -7.718 -19.483 1.540 1.00 62.44 C ATOM 338 CG GLN A 22 -7.849 -17.969 1.680 1.00 63.53 C ATOM 339 CD GLN A 22 -7.765 -17.237 0.345 1.00 52.12 C ATOM 340 OE1 GLN A 22 -8.151 -17.760 -0.698 1.00 20.22 O ATOM 341 NE2 GLN A 22 -7.252 -16.024 0.368 1.00 74.11 N ATOM 0 H GLN A 22 -5.653 -21.809 1.401 1.00 4.24 H new ATOM 0 HA GLN A 22 -6.369 -19.496 -0.113 1.00 25.22 H new ATOM 0 HB2 GLN A 22 -8.554 -19.858 0.949 1.00 62.44 H new ATOM 0 HB3 GLN A 22 -7.796 -19.938 2.527 1.00 62.44 H new ATOM 0 HG2 GLN A 22 -8.801 -17.735 2.157 1.00 63.53 H new ATOM 0 HG3 GLN A 22 -7.063 -17.601 2.340 1.00 63.53 H new ATOM 0 HE21 GLN A 22 -6.941 -15.618 1.251 1.00 74.11 H new ATOM 0 HE22 GLN A 22 -7.166 -15.490 -0.497 1.00 74.11 H new ATOM 350 N PHE A 23 -4.261 -18.761 1.049 1.00 63.22 N ATOM 351 CA PHE A 23 -3.005 -18.320 1.685 1.00 21.34 C ATOM 352 C PHE A 23 -3.245 -17.760 3.107 1.00 73.01 C ATOM 353 O PHE A 23 -3.605 -16.596 3.293 1.00 25.33 O ATOM 354 CB PHE A 23 -2.310 -17.280 0.795 1.00 4.40 C ATOM 355 CG PHE A 23 -0.852 -17.064 1.124 1.00 74.23 C ATOM 356 CD1 PHE A 23 -0.467 -16.153 2.097 1.00 62.14 C ATOM 357 CD2 PHE A 23 0.135 -17.780 0.458 1.00 44.32 C ATOM 358 CE1 PHE A 23 0.867 -15.962 2.395 1.00 11.43 C ATOM 359 CE2 PHE A 23 1.471 -17.591 0.755 1.00 32.31 C ATOM 360 CZ PHE A 23 1.838 -16.681 1.725 1.00 11.53 C ATOM 0 H PHE A 23 -4.345 -18.491 0.069 1.00 63.22 H new ATOM 0 HA PHE A 23 -2.355 -19.189 1.793 1.00 21.34 H new ATOM 0 HB2 PHE A 23 -2.394 -17.593 -0.246 1.00 4.40 H new ATOM 0 HB3 PHE A 23 -2.837 -16.330 0.885 1.00 4.40 H new ATOM 0 HD1 PHE A 23 -1.219 -15.587 2.627 1.00 62.14 H new ATOM 0 HD2 PHE A 23 -0.146 -18.494 -0.302 1.00 44.32 H new ATOM 0 HE1 PHE A 23 1.153 -15.249 3.154 1.00 11.43 H new ATOM 0 HE2 PHE A 23 2.227 -18.155 0.229 1.00 32.31 H new ATOM 0 HZ PHE A 23 2.881 -16.531 1.960 1.00 11.53 H new ATOM 370 N LYS A 24 -3.050 -18.629 4.096 1.00 44.35 N ATOM 371 CA LYS A 24 -3.440 -18.366 5.487 1.00 44.20 C ATOM 372 C LYS A 24 -2.540 -17.338 6.195 1.00 12.21 C ATOM 373 O LYS A 24 -3.008 -16.586 7.057 1.00 65.14 O ATOM 374 CB LYS A 24 -3.412 -19.690 6.267 1.00 50.21 C ATOM 375 CG LYS A 24 -3.952 -19.613 7.697 1.00 2.54 C ATOM 376 CD LYS A 24 -5.463 -19.843 7.771 1.00 72.14 C ATOM 377 CE LYS A 24 -6.268 -18.699 7.164 1.00 24.53 C ATOM 378 NZ LYS A 24 -7.726 -18.981 7.193 1.00 42.34 N ATOM 0 H LYS A 24 -2.615 -19.541 3.959 1.00 44.35 H new ATOM 0 HA LYS A 24 -4.442 -17.936 5.464 1.00 44.20 H new ATOM 0 HB2 LYS A 24 -3.991 -20.431 5.716 1.00 50.21 H new ATOM 0 HB3 LYS A 24 -2.384 -20.051 6.302 1.00 50.21 H new ATOM 0 HG2 LYS A 24 -3.445 -20.356 8.313 1.00 2.54 H new ATOM 0 HG3 LYS A 24 -3.716 -18.635 8.118 1.00 2.54 H new ATOM 0 HD2 LYS A 24 -5.710 -20.769 7.253 1.00 72.14 H new ATOM 0 HD3 LYS A 24 -5.755 -19.973 8.813 1.00 72.14 H new ATOM 0 HE2 LYS A 24 -6.064 -17.779 7.712 1.00 24.53 H new ATOM 0 HE3 LYS A 24 -5.949 -18.535 6.135 1.00 24.53 H new ATOM 0 HZ1 LYS A 24 -8.243 -18.182 6.773 1.00 42.34 H new ATOM 0 HZ2 LYS A 24 -7.923 -19.845 6.650 1.00 42.34 H new ATOM 0 HZ3 LYS A 24 -8.035 -19.113 8.177 1.00 42.34 H new ATOM 392 N GLN A 25 -1.260 -17.305 5.828 1.00 44.42 N ATOM 393 CA GLN A 25 -0.246 -16.564 6.591 1.00 55.52 C ATOM 394 C GLN A 25 -0.656 -15.111 6.904 1.00 4.11 C ATOM 395 O GLN A 25 -0.454 -14.647 8.025 1.00 41.34 O ATOM 396 CB GLN A 25 1.101 -16.585 5.854 1.00 51.20 C ATOM 397 CG GLN A 25 2.253 -15.984 6.656 1.00 24.34 C ATOM 398 CD GLN A 25 2.534 -16.738 7.946 1.00 41.25 C ATOM 399 OE1 GLN A 25 3.332 -17.670 7.971 1.00 13.12 O ATOM 400 NE2 GLN A 25 1.883 -16.345 9.024 1.00 42.45 N ATOM 0 H GLN A 25 -0.895 -17.783 5.004 1.00 44.42 H new ATOM 0 HA GLN A 25 -0.151 -17.075 7.549 1.00 55.52 H new ATOM 0 HB2 GLN A 25 1.348 -17.615 5.598 1.00 51.20 H new ATOM 0 HB3 GLN A 25 1.000 -16.039 4.916 1.00 51.20 H new ATOM 0 HG2 GLN A 25 3.153 -15.979 6.041 1.00 24.34 H new ATOM 0 HG3 GLN A 25 2.022 -14.945 6.892 1.00 24.34 H new ATOM 0 HE21 GLN A 25 1.227 -15.566 8.968 1.00 42.45 H new ATOM 0 HE22 GLN A 25 2.036 -16.820 9.914 1.00 42.45 H new ATOM 409 N LEU A 26 -1.240 -14.402 5.930 1.00 3.40 N ATOM 410 CA LEU A 26 -1.657 -13.001 6.144 1.00 41.15 C ATOM 411 C LEU A 26 -2.631 -12.852 7.324 1.00 52.02 C ATOM 412 O LEU A 26 -2.505 -11.927 8.128 1.00 34.13 O ATOM 413 CB LEU A 26 -2.298 -12.402 4.881 1.00 11.11 C ATOM 414 CG LEU A 26 -1.322 -11.951 3.785 1.00 23.51 C ATOM 415 CD1 LEU A 26 -2.075 -11.251 2.657 1.00 5.12 C ATOM 416 CD2 LEU A 26 -0.246 -11.030 4.363 1.00 23.44 C ATOM 0 H LEU A 26 -1.435 -14.764 4.997 1.00 3.40 H new ATOM 0 HA LEU A 26 -0.745 -12.453 6.380 1.00 41.15 H new ATOM 0 HB2 LEU A 26 -2.976 -13.142 4.455 1.00 11.11 H new ATOM 0 HB3 LEU A 26 -2.905 -11.546 5.176 1.00 11.11 H new ATOM 0 HG LEU A 26 -0.831 -12.835 3.378 1.00 23.51 H new ATOM 0 HD11 LEU A 26 -1.369 -10.937 1.888 1.00 5.12 H new ATOM 0 HD12 LEU A 26 -2.802 -11.938 2.224 1.00 5.12 H new ATOM 0 HD13 LEU A 26 -2.593 -10.377 3.053 1.00 5.12 H new ATOM 0 HD21 LEU A 26 0.435 -10.723 3.569 1.00 23.44 H new ATOM 0 HD22 LEU A 26 -0.717 -10.149 4.799 1.00 23.44 H new ATOM 0 HD23 LEU A 26 0.312 -11.561 5.134 1.00 23.44 H new ATOM 428 N TYR A 27 -3.599 -13.757 7.421 1.00 33.42 N ATOM 429 CA TYR A 27 -4.598 -13.703 8.495 1.00 53.13 C ATOM 430 C TYR A 27 -3.963 -13.998 9.859 1.00 75.02 C ATOM 431 O TYR A 27 -4.239 -13.321 10.851 1.00 32.31 O ATOM 432 CB TYR A 27 -5.729 -14.707 8.226 1.00 40.35 C ATOM 433 CG TYR A 27 -6.541 -14.404 6.983 1.00 53.22 C ATOM 434 CD1 TYR A 27 -6.091 -14.782 5.722 1.00 30.53 C ATOM 435 CD2 TYR A 27 -7.763 -13.741 7.071 1.00 31.51 C ATOM 436 CE1 TYR A 27 -6.830 -14.507 4.589 1.00 60.23 C ATOM 437 CE2 TYR A 27 -8.508 -13.464 5.943 1.00 42.41 C ATOM 438 CZ TYR A 27 -8.038 -13.849 4.704 1.00 25.21 C ATOM 439 OH TYR A 27 -8.776 -13.575 3.574 1.00 50.11 O ATOM 0 H TYR A 27 -3.717 -14.536 6.774 1.00 33.42 H new ATOM 0 HA TYR A 27 -5.008 -12.693 8.515 1.00 53.13 H new ATOM 0 HB2 TYR A 27 -5.300 -15.705 8.133 1.00 40.35 H new ATOM 0 HB3 TYR A 27 -6.396 -14.726 9.088 1.00 40.35 H new ATOM 0 HD1 TYR A 27 -5.148 -15.299 5.628 1.00 30.53 H new ATOM 0 HD2 TYR A 27 -8.134 -13.438 8.039 1.00 31.51 H new ATOM 0 HE1 TYR A 27 -6.465 -14.805 3.617 1.00 60.23 H new ATOM 0 HE2 TYR A 27 -9.453 -12.949 6.029 1.00 42.41 H new ATOM 0 HH TYR A 27 -9.600 -13.109 3.827 1.00 50.11 H new ATOM 449 N GLU A 28 -3.092 -15.001 9.891 1.00 53.52 N ATOM 450 CA GLU A 28 -2.505 -15.480 11.145 1.00 52.11 C ATOM 451 C GLU A 28 -1.027 -15.067 11.297 1.00 21.13 C ATOM 452 O GLU A 28 -0.236 -15.788 11.906 1.00 70.33 O ATOM 453 CB GLU A 28 -2.646 -17.009 11.222 1.00 60.34 C ATOM 454 CG GLU A 28 -4.092 -17.496 11.103 1.00 54.42 C ATOM 455 CD GLU A 28 -4.235 -19.009 11.201 1.00 33.42 C ATOM 456 OE1 GLU A 28 -3.226 -19.724 11.032 1.00 61.45 O ATOM 457 OE2 GLU A 28 -5.363 -19.488 11.446 1.00 3.14 O ATOM 0 H GLU A 28 -2.774 -15.502 9.061 1.00 53.52 H new ATOM 0 HA GLU A 28 -3.047 -15.015 11.968 1.00 52.11 H new ATOM 0 HB2 GLU A 28 -2.052 -17.461 10.427 1.00 60.34 H new ATOM 0 HB3 GLU A 28 -2.231 -17.357 12.168 1.00 60.34 H new ATOM 0 HG2 GLU A 28 -4.689 -17.031 11.888 1.00 54.42 H new ATOM 0 HG3 GLU A 28 -4.502 -17.161 10.150 1.00 54.42 H new ATOM 464 N LEU A 29 -0.662 -13.903 10.751 1.00 3.33 N ATOM 465 CA LEU A 29 0.690 -13.348 10.948 1.00 1.31 C ATOM 466 C LEU A 29 1.026 -13.237 12.445 1.00 53.05 C ATOM 467 O LEU A 29 2.055 -13.736 12.906 1.00 54.22 O ATOM 468 CB LEU A 29 0.793 -11.961 10.289 1.00 74.11 C ATOM 469 CG LEU A 29 0.759 -11.960 8.751 1.00 31.24 C ATOM 470 CD1 LEU A 29 0.544 -10.552 8.204 1.00 73.11 C ATOM 471 CD2 LEU A 29 2.042 -12.560 8.186 1.00 1.24 C ATOM 0 H LEU A 29 -1.274 -13.327 10.173 1.00 3.33 H new ATOM 0 HA LEU A 29 1.406 -14.025 10.482 1.00 1.31 H new ATOM 0 HB2 LEU A 29 -0.026 -11.342 10.655 1.00 74.11 H new ATOM 0 HB3 LEU A 29 1.720 -11.490 10.616 1.00 74.11 H new ATOM 0 HG LEU A 29 -0.083 -12.576 8.436 1.00 31.24 H new ATOM 0 HD11 LEU A 29 0.525 -10.584 7.115 1.00 73.11 H new ATOM 0 HD12 LEU A 29 -0.404 -10.159 8.572 1.00 73.11 H new ATOM 0 HD13 LEU A 29 1.357 -9.905 8.534 1.00 73.11 H new ATOM 0 HD21 LEU A 29 1.999 -12.551 7.097 1.00 1.24 H new ATOM 0 HD22 LEU A 29 2.897 -11.972 8.521 1.00 1.24 H new ATOM 0 HD23 LEU A 29 2.148 -13.587 8.536 1.00 1.24 H new ATOM 483 N ASP A 30 0.154 -12.557 13.189 1.00 70.43 N ATOM 484 CA ASP A 30 0.230 -12.513 14.653 1.00 3.12 C ATOM 485 C ASP A 30 -1.039 -13.106 15.288 1.00 30.30 C ATOM 486 O ASP A 30 -0.984 -13.744 16.340 1.00 73.41 O ATOM 487 CB ASP A 30 0.437 -11.072 15.130 1.00 3.22 C ATOM 488 CG ASP A 30 1.765 -10.496 14.673 1.00 30.13 C ATOM 489 OD1 ASP A 30 1.861 -10.047 13.512 1.00 22.34 O ATOM 490 OD2 ASP A 30 2.725 -10.490 15.474 1.00 3.50 O ATOM 0 H ASP A 30 -0.622 -12.023 12.798 1.00 70.43 H new ATOM 0 HA ASP A 30 1.082 -13.116 14.968 1.00 3.12 H new ATOM 0 HB2 ASP A 30 -0.375 -10.448 14.756 1.00 3.22 H new ATOM 0 HB3 ASP A 30 0.386 -11.042 16.218 1.00 3.22 H new ATOM 495 N GLY A 31 -2.180 -12.895 14.629 1.00 32.03 N ATOM 496 CA GLY A 31 -3.463 -13.365 15.152 1.00 15.12 C ATOM 497 C GLY A 31 -4.333 -12.234 15.697 1.00 13.00 C ATOM 498 O GLY A 31 -5.152 -12.442 16.597 1.00 11.43 O ATOM 0 H GLY A 31 -2.241 -12.404 13.737 1.00 32.03 H new ATOM 0 HA2 GLY A 31 -4.004 -13.884 14.361 1.00 15.12 H new ATOM 0 HA3 GLY A 31 -3.282 -14.092 15.944 1.00 15.12 H new ATOM 502 N ASP A 32 -4.162 -11.035 15.144 1.00 31.25 N ATOM 503 CA ASP A 32 -4.898 -9.848 15.595 1.00 31.05 C ATOM 504 C ASP A 32 -6.380 -9.919 15.201 1.00 33.24 C ATOM 505 O ASP A 32 -6.707 -10.166 14.035 1.00 12.43 O ATOM 506 CB ASP A 32 -4.283 -8.589 14.977 1.00 33.42 C ATOM 507 CG ASP A 32 -2.774 -8.583 15.059 1.00 44.30 C ATOM 508 OD1 ASP A 32 -2.146 -9.377 14.330 1.00 20.11 O ATOM 509 OD2 ASP A 32 -2.210 -7.789 15.838 1.00 12.22 O ATOM 0 H ASP A 32 -3.515 -10.856 14.376 1.00 31.25 H new ATOM 0 HA ASP A 32 -4.828 -9.811 16.682 1.00 31.05 H new ATOM 0 HB2 ASP A 32 -4.587 -8.515 13.933 1.00 33.42 H new ATOM 0 HB3 ASP A 32 -4.675 -7.709 15.487 1.00 33.42 H new ATOM 514 N PRO A 33 -7.299 -9.666 16.153 1.00 4.41 N ATOM 515 CA PRO A 33 -8.745 -9.616 15.866 1.00 34.44 C ATOM 516 C PRO A 33 -9.091 -8.534 14.825 1.00 71.23 C ATOM 517 O PRO A 33 -10.109 -8.614 14.143 1.00 5.30 O ATOM 518 CB PRO A 33 -9.373 -9.282 17.234 1.00 45.42 C ATOM 519 CG PRO A 33 -8.257 -8.708 18.043 1.00 53.41 C ATOM 520 CD PRO A 33 -7.014 -9.414 17.578 1.00 15.45 C ATOM 0 HA PRO A 33 -9.112 -10.549 15.438 1.00 34.44 H new ATOM 0 HB2 PRO A 33 -10.191 -8.569 17.129 1.00 45.42 H new ATOM 0 HB3 PRO A 33 -9.785 -10.173 17.707 1.00 45.42 H new ATOM 0 HG2 PRO A 33 -8.176 -7.632 17.891 1.00 53.41 H new ATOM 0 HG3 PRO A 33 -8.423 -8.868 19.108 1.00 53.41 H new ATOM 0 HD2 PRO A 33 -6.125 -8.798 17.710 1.00 15.45 H new ATOM 0 HD3 PRO A 33 -6.845 -10.340 18.127 1.00 15.45 H new ATOM 528 N LYS A 34 -8.221 -7.529 14.713 1.00 53.42 N ATOM 529 CA LYS A 34 -8.385 -6.449 13.729 1.00 73.42 C ATOM 530 C LYS A 34 -7.926 -6.881 12.323 1.00 2.33 C ATOM 531 O LYS A 34 -8.467 -6.428 11.312 1.00 4.22 O ATOM 532 CB LYS A 34 -7.571 -5.218 14.157 1.00 1.25 C ATOM 533 CG LYS A 34 -7.945 -4.621 15.516 1.00 1.42 C ATOM 534 CD LYS A 34 -9.338 -3.985 15.517 1.00 41.30 C ATOM 535 CE LYS A 34 -10.426 -4.958 15.958 1.00 1.33 C ATOM 536 NZ LYS A 34 -11.782 -4.366 15.823 1.00 35.11 N ATOM 0 H LYS A 34 -7.388 -7.437 15.295 1.00 53.42 H new ATOM 0 HA LYS A 34 -9.447 -6.207 13.689 1.00 73.42 H new ATOM 0 HB2 LYS A 34 -6.516 -5.491 14.178 1.00 1.25 H new ATOM 0 HB3 LYS A 34 -7.686 -4.446 13.396 1.00 1.25 H new ATOM 0 HG2 LYS A 34 -7.906 -5.402 16.275 1.00 1.42 H new ATOM 0 HG3 LYS A 34 -7.206 -3.869 15.794 1.00 1.42 H new ATOM 0 HD2 LYS A 34 -9.338 -3.120 16.181 1.00 41.30 H new ATOM 0 HD3 LYS A 34 -9.567 -3.619 14.516 1.00 41.30 H new ATOM 0 HE2 LYS A 34 -10.365 -5.867 15.360 1.00 1.33 H new ATOM 0 HE3 LYS A 34 -10.257 -5.247 16.995 1.00 1.33 H new ATOM 0 HZ1 LYS A 34 -12.393 -4.721 16.586 1.00 35.11 H new ATOM 0 HZ2 LYS A 34 -11.716 -3.330 15.886 1.00 35.11 H new ATOM 0 HZ3 LYS A 34 -12.187 -4.632 14.903 1.00 35.11 H new ATOM 550 N ARG A 35 -6.929 -7.766 12.269 1.00 12.13 N ATOM 551 CA ARG A 35 -6.250 -8.102 11.009 1.00 35.34 C ATOM 552 C ARG A 35 -7.194 -8.745 9.977 1.00 73.31 C ATOM 553 O ARG A 35 -7.288 -8.279 8.840 1.00 44.54 O ATOM 554 CB ARG A 35 -5.052 -9.025 11.279 1.00 64.32 C ATOM 555 CG ARG A 35 -4.129 -9.199 10.076 1.00 34.04 C ATOM 556 CD ARG A 35 -2.880 -10.005 10.424 1.00 53.30 C ATOM 557 NE ARG A 35 -2.141 -9.430 11.551 1.00 1.23 N ATOM 558 CZ ARG A 35 -1.001 -8.800 11.457 1.00 73.25 C ATOM 559 NH1 ARG A 35 -0.429 -8.622 10.311 1.00 4.35 N ATOM 560 NH2 ARG A 35 -0.436 -8.353 12.524 1.00 43.32 N ATOM 0 H ARG A 35 -6.571 -8.266 13.083 1.00 12.13 H new ATOM 0 HA ARG A 35 -5.899 -7.164 10.579 1.00 35.34 H new ATOM 0 HB2 ARG A 35 -4.476 -8.624 12.113 1.00 64.32 H new ATOM 0 HB3 ARG A 35 -5.421 -10.003 11.588 1.00 64.32 H new ATOM 0 HG2 ARG A 35 -4.671 -9.699 9.273 1.00 34.04 H new ATOM 0 HG3 ARG A 35 -3.835 -8.219 9.700 1.00 34.04 H new ATOM 0 HD2 ARG A 35 -3.167 -11.029 10.665 1.00 53.30 H new ATOM 0 HD3 ARG A 35 -2.228 -10.054 9.552 1.00 53.30 H new ATOM 0 HE ARG A 35 -2.548 -9.529 12.481 1.00 1.23 H new ATOM 0 HH11 ARG A 35 -0.868 -8.976 9.461 1.00 4.35 H new ATOM 0 HH12 ARG A 35 0.461 -8.127 10.257 1.00 4.35 H new ATOM 0 HH21 ARG A 35 -0.879 -8.492 13.432 1.00 43.32 H new ATOM 0 HH22 ARG A 35 0.455 -7.860 12.461 1.00 43.32 H new ATOM 574 N LYS A 36 -7.882 -9.818 10.366 1.00 35.34 N ATOM 575 CA LYS A 36 -8.780 -10.518 9.434 1.00 54.12 C ATOM 576 C LYS A 36 -9.957 -9.628 8.991 1.00 61.24 C ATOM 577 O LYS A 36 -10.469 -9.788 7.883 1.00 72.43 O ATOM 578 CB LYS A 36 -9.299 -11.848 10.017 1.00 13.02 C ATOM 579 CG LYS A 36 -10.284 -11.717 11.182 1.00 12.25 C ATOM 580 CD LYS A 36 -9.597 -11.371 12.501 1.00 41.20 C ATOM 581 CE LYS A 36 -8.570 -12.425 12.910 1.00 70.03 C ATOM 582 NZ LYS A 36 -9.186 -13.761 13.129 1.00 44.45 N ATOM 0 H LYS A 36 -7.840 -10.220 11.303 1.00 35.34 H new ATOM 0 HA LYS A 36 -8.183 -10.751 8.552 1.00 54.12 H new ATOM 0 HB2 LYS A 36 -9.781 -12.411 9.218 1.00 13.02 H new ATOM 0 HB3 LYS A 36 -8.444 -12.436 10.351 1.00 13.02 H new ATOM 0 HG2 LYS A 36 -11.018 -10.946 10.947 1.00 12.25 H new ATOM 0 HG3 LYS A 36 -10.831 -12.653 11.297 1.00 12.25 H new ATOM 0 HD2 LYS A 36 -9.105 -10.403 12.409 1.00 41.20 H new ATOM 0 HD3 LYS A 36 -10.348 -11.274 13.285 1.00 41.20 H new ATOM 0 HE2 LYS A 36 -7.805 -12.503 12.137 1.00 70.03 H new ATOM 0 HE3 LYS A 36 -8.069 -12.105 13.823 1.00 70.03 H new ATOM 0 HZ1 LYS A 36 -8.474 -14.412 13.518 1.00 44.45 H new ATOM 0 HZ2 LYS A 36 -9.977 -13.673 13.798 1.00 44.45 H new ATOM 0 HZ3 LYS A 36 -9.538 -14.134 12.224 1.00 44.45 H new ATOM 596 N GLU A 37 -10.377 -8.690 9.847 1.00 62.15 N ATOM 597 CA GLU A 37 -11.423 -7.724 9.475 1.00 34.11 C ATOM 598 C GLU A 37 -10.959 -6.867 8.290 1.00 30.24 C ATOM 599 O GLU A 37 -11.644 -6.761 7.271 1.00 41.13 O ATOM 600 CB GLU A 37 -11.770 -6.802 10.655 1.00 21.00 C ATOM 601 CG GLU A 37 -12.267 -7.522 11.906 1.00 15.25 C ATOM 602 CD GLU A 37 -12.684 -6.553 13.007 1.00 14.43 C ATOM 603 OE1 GLU A 37 -11.888 -5.647 13.342 1.00 0.33 O ATOM 604 OE2 GLU A 37 -13.814 -6.678 13.528 1.00 53.13 O ATOM 0 H GLU A 37 -10.014 -8.577 10.794 1.00 62.15 H new ATOM 0 HA GLU A 37 -12.311 -8.290 9.195 1.00 34.11 H new ATOM 0 HB2 GLU A 37 -10.886 -6.220 10.915 1.00 21.00 H new ATOM 0 HB3 GLU A 37 -12.534 -6.095 10.333 1.00 21.00 H new ATOM 0 HG2 GLU A 37 -13.114 -8.157 11.644 1.00 15.25 H new ATOM 0 HG3 GLU A 37 -11.481 -8.178 12.281 1.00 15.25 H new ATOM 611 N PHE A 38 -9.780 -6.261 8.441 1.00 50.34 N ATOM 612 CA PHE A 38 -9.175 -5.442 7.388 1.00 22.14 C ATOM 613 C PHE A 38 -9.010 -6.236 6.080 1.00 43.40 C ATOM 614 O PHE A 38 -9.382 -5.765 5.009 1.00 20.23 O ATOM 615 CB PHE A 38 -7.811 -4.912 7.857 1.00 22.31 C ATOM 616 CG PHE A 38 -7.058 -4.130 6.805 1.00 3.24 C ATOM 617 CD1 PHE A 38 -7.321 -2.783 6.596 1.00 33.33 C ATOM 618 CD2 PHE A 38 -6.088 -4.745 6.022 1.00 53.52 C ATOM 619 CE1 PHE A 38 -6.634 -2.070 5.631 1.00 12.41 C ATOM 620 CE2 PHE A 38 -5.401 -4.034 5.057 1.00 64.24 C ATOM 621 CZ PHE A 38 -5.674 -2.696 4.862 1.00 31.22 C ATOM 0 H PHE A 38 -9.220 -6.323 9.291 1.00 50.34 H new ATOM 0 HA PHE A 38 -9.843 -4.604 7.188 1.00 22.14 H new ATOM 0 HB2 PHE A 38 -7.961 -4.276 8.729 1.00 22.31 H new ATOM 0 HB3 PHE A 38 -7.197 -5.754 8.178 1.00 22.31 H new ATOM 0 HD1 PHE A 38 -8.071 -2.286 7.194 1.00 33.33 H new ATOM 0 HD2 PHE A 38 -5.869 -5.792 6.170 1.00 53.52 H new ATOM 0 HE1 PHE A 38 -6.849 -1.023 5.479 1.00 12.41 H new ATOM 0 HE2 PHE A 38 -4.651 -4.526 4.456 1.00 64.24 H new ATOM 0 HZ PHE A 38 -5.137 -2.139 4.108 1.00 31.22 H new ATOM 631 N LEU A 39 -8.447 -7.440 6.180 1.00 33.40 N ATOM 632 CA LEU A 39 -8.222 -8.291 5.002 1.00 51.22 C ATOM 633 C LEU A 39 -9.540 -8.636 4.287 1.00 25.44 C ATOM 634 O LEU A 39 -9.662 -8.460 3.072 1.00 61.41 O ATOM 635 CB LEU A 39 -7.486 -9.576 5.408 1.00 14.13 C ATOM 636 CG LEU A 39 -6.084 -9.371 6.011 1.00 23.21 C ATOM 637 CD1 LEU A 39 -5.458 -10.710 6.393 1.00 54.23 C ATOM 638 CD2 LEU A 39 -5.181 -8.612 5.037 1.00 5.44 C ATOM 0 H LEU A 39 -8.137 -7.851 7.061 1.00 33.40 H new ATOM 0 HA LEU A 39 -7.604 -7.729 4.302 1.00 51.22 H new ATOM 0 HB2 LEU A 39 -8.099 -10.113 6.132 1.00 14.13 H new ATOM 0 HB3 LEU A 39 -7.396 -10.216 4.530 1.00 14.13 H new ATOM 0 HG LEU A 39 -6.189 -8.773 6.916 1.00 23.21 H new ATOM 0 HD11 LEU A 39 -4.468 -10.541 6.817 1.00 54.23 H new ATOM 0 HD12 LEU A 39 -6.088 -11.209 7.129 1.00 54.23 H new ATOM 0 HD13 LEU A 39 -5.371 -11.337 5.506 1.00 54.23 H new ATOM 0 HD21 LEU A 39 -4.196 -8.478 5.483 1.00 5.44 H new ATOM 0 HD22 LEU A 39 -5.086 -9.180 4.111 1.00 5.44 H new ATOM 0 HD23 LEU A 39 -5.617 -7.637 4.821 1.00 5.44 H new ATOM 650 N ASP A 40 -10.520 -9.122 5.048 1.00 24.33 N ATOM 651 CA ASP A 40 -11.834 -9.478 4.498 1.00 63.31 C ATOM 652 C ASP A 40 -12.465 -8.285 3.758 1.00 42.23 C ATOM 653 O ASP A 40 -12.881 -8.397 2.598 1.00 3.22 O ATOM 654 CB ASP A 40 -12.754 -9.940 5.637 1.00 10.32 C ATOM 655 CG ASP A 40 -14.107 -10.438 5.151 1.00 44.13 C ATOM 656 OD1 ASP A 40 -15.002 -9.602 4.893 1.00 54.03 O ATOM 657 OD2 ASP A 40 -14.288 -11.671 5.049 1.00 65.14 O ATOM 0 H ASP A 40 -10.431 -9.280 6.052 1.00 24.33 H new ATOM 0 HA ASP A 40 -11.705 -10.288 3.780 1.00 63.31 H new ATOM 0 HB2 ASP A 40 -12.260 -10.736 6.194 1.00 10.32 H new ATOM 0 HB3 ASP A 40 -12.906 -9.113 6.330 1.00 10.32 H new ATOM 662 N ASP A 41 -12.516 -7.146 4.439 1.00 23.03 N ATOM 663 CA ASP A 41 -13.097 -5.927 3.881 1.00 21.41 C ATOM 664 C ASP A 41 -12.314 -5.444 2.644 1.00 14.23 C ATOM 665 O ASP A 41 -12.907 -5.062 1.632 1.00 13.34 O ATOM 666 CB ASP A 41 -13.128 -4.840 4.960 1.00 33.13 C ATOM 667 CG ASP A 41 -13.866 -3.593 4.512 1.00 62.15 C ATOM 668 OD1 ASP A 41 -15.116 -3.598 4.527 1.00 32.11 O ATOM 669 OD2 ASP A 41 -13.206 -2.604 4.147 1.00 63.32 O ATOM 0 H ASP A 41 -12.158 -7.040 5.388 1.00 23.03 H new ATOM 0 HA ASP A 41 -14.114 -6.144 3.555 1.00 21.41 H new ATOM 0 HB2 ASP A 41 -13.604 -5.237 5.857 1.00 33.13 H new ATOM 0 HB3 ASP A 41 -12.106 -4.575 5.233 1.00 33.13 H new ATOM 674 N LEU A 42 -10.985 -5.481 2.734 1.00 51.24 N ATOM 675 CA LEU A 42 -10.104 -5.048 1.640 1.00 71.21 C ATOM 676 C LEU A 42 -10.336 -5.859 0.352 1.00 15.12 C ATOM 677 O LEU A 42 -10.664 -5.297 -0.696 1.00 1.40 O ATOM 678 CB LEU A 42 -8.638 -5.184 2.071 1.00 54.02 C ATOM 679 CG LEU A 42 -7.595 -4.871 0.982 1.00 22.24 C ATOM 680 CD1 LEU A 42 -7.657 -3.399 0.576 1.00 10.30 C ATOM 681 CD2 LEU A 42 -6.194 -5.255 1.454 1.00 11.02 C ATOM 0 H LEU A 42 -10.487 -5.810 3.561 1.00 51.24 H new ATOM 0 HA LEU A 42 -10.339 -4.006 1.424 1.00 71.21 H new ATOM 0 HB2 LEU A 42 -8.463 -4.521 2.918 1.00 54.02 H new ATOM 0 HB3 LEU A 42 -8.474 -6.202 2.424 1.00 54.02 H new ATOM 0 HG LEU A 42 -7.829 -5.468 0.101 1.00 22.24 H new ATOM 0 HD11 LEU A 42 -6.911 -3.202 -0.194 1.00 10.30 H new ATOM 0 HD12 LEU A 42 -8.649 -3.170 0.187 1.00 10.30 H new ATOM 0 HD13 LEU A 42 -7.455 -2.773 1.445 1.00 10.30 H new ATOM 0 HD21 LEU A 42 -5.471 -5.026 0.671 1.00 11.02 H new ATOM 0 HD22 LEU A 42 -5.946 -4.691 2.353 1.00 11.02 H new ATOM 0 HD23 LEU A 42 -6.164 -6.322 1.675 1.00 11.02 H new ATOM 693 N PHE A 43 -10.169 -7.180 0.444 1.00 64.42 N ATOM 694 CA PHE A 43 -10.284 -8.064 -0.725 1.00 65.21 C ATOM 695 C PHE A 43 -11.640 -7.896 -1.429 1.00 71.51 C ATOM 696 O PHE A 43 -11.705 -7.789 -2.655 1.00 41.45 O ATOM 697 CB PHE A 43 -10.082 -9.534 -0.312 1.00 72.53 C ATOM 698 CG PHE A 43 -8.738 -9.819 0.321 1.00 25.45 C ATOM 699 CD1 PHE A 43 -7.597 -9.153 -0.101 1.00 43.21 C ATOM 700 CD2 PHE A 43 -8.619 -10.762 1.335 1.00 75.43 C ATOM 701 CE1 PHE A 43 -6.370 -9.414 0.477 1.00 52.35 C ATOM 702 CE2 PHE A 43 -7.394 -11.027 1.915 1.00 33.40 C ATOM 703 CZ PHE A 43 -6.268 -10.353 1.485 1.00 54.45 C ATOM 0 H PHE A 43 -9.953 -7.664 1.315 1.00 64.42 H new ATOM 0 HA PHE A 43 -9.502 -7.780 -1.429 1.00 65.21 H new ATOM 0 HB2 PHE A 43 -10.868 -9.815 0.389 1.00 72.53 H new ATOM 0 HB3 PHE A 43 -10.199 -10.167 -1.192 1.00 72.53 H new ATOM 0 HD1 PHE A 43 -7.669 -8.421 -0.892 1.00 43.21 H new ATOM 0 HD2 PHE A 43 -9.496 -11.294 1.674 1.00 75.43 H new ATOM 0 HE1 PHE A 43 -5.491 -8.884 0.141 1.00 52.35 H new ATOM 0 HE2 PHE A 43 -7.317 -11.760 2.704 1.00 33.40 H new ATOM 0 HZ PHE A 43 -5.309 -10.560 1.936 1.00 54.45 H new ATOM 713 N SER A 44 -12.718 -7.861 -0.647 1.00 63.24 N ATOM 714 CA SER A 44 -14.069 -7.669 -1.200 1.00 1.33 C ATOM 715 C SER A 44 -14.217 -6.272 -1.826 1.00 11.11 C ATOM 716 O SER A 44 -14.774 -6.120 -2.915 1.00 12.13 O ATOM 717 CB SER A 44 -15.132 -7.867 -0.106 1.00 74.32 C ATOM 718 OG SER A 44 -16.447 -7.777 -0.635 1.00 43.31 O ATOM 0 H SER A 44 -12.689 -7.962 0.368 1.00 63.24 H new ATOM 0 HA SER A 44 -14.219 -8.415 -1.981 1.00 1.33 H new ATOM 0 HB2 SER A 44 -14.994 -8.840 0.365 1.00 74.32 H new ATOM 0 HB3 SER A 44 -14.999 -7.115 0.672 1.00 74.32 H new ATOM 0 HG SER A 44 -16.523 -8.355 -1.423 1.00 43.31 H new ATOM 724 N PHE A 45 -13.686 -5.262 -1.138 1.00 54.24 N ATOM 725 CA PHE A 45 -13.770 -3.865 -1.589 1.00 4.04 C ATOM 726 C PHE A 45 -13.129 -3.670 -2.975 1.00 71.52 C ATOM 727 O PHE A 45 -13.754 -3.126 -3.892 1.00 75.33 O ATOM 728 CB PHE A 45 -13.093 -2.952 -0.555 1.00 24.23 C ATOM 729 CG PHE A 45 -13.120 -1.482 -0.902 1.00 31.05 C ATOM 730 CD1 PHE A 45 -14.261 -0.724 -0.678 1.00 72.42 C ATOM 731 CD2 PHE A 45 -12.000 -0.858 -1.438 1.00 22.21 C ATOM 732 CE1 PHE A 45 -14.285 0.624 -0.984 1.00 52.11 C ATOM 733 CE2 PHE A 45 -12.021 0.487 -1.747 1.00 4.13 C ATOM 734 CZ PHE A 45 -13.163 1.230 -1.519 1.00 72.22 C ATOM 0 H PHE A 45 -13.187 -5.383 -0.257 1.00 54.24 H new ATOM 0 HA PHE A 45 -14.824 -3.601 -1.680 1.00 4.04 H new ATOM 0 HB2 PHE A 45 -13.580 -3.093 0.410 1.00 24.23 H new ATOM 0 HB3 PHE A 45 -12.056 -3.265 -0.437 1.00 24.23 H new ATOM 0 HD1 PHE A 45 -15.140 -1.192 -0.260 1.00 72.42 H new ATOM 0 HD2 PHE A 45 -11.103 -1.432 -1.615 1.00 22.21 H new ATOM 0 HE1 PHE A 45 -15.179 1.203 -0.805 1.00 52.11 H new ATOM 0 HE2 PHE A 45 -11.145 0.958 -2.167 1.00 4.13 H new ATOM 0 HZ PHE A 45 -13.180 2.283 -1.758 1.00 72.22 H new ATOM 744 N MET A 46 -11.881 -4.114 -3.123 1.00 54.04 N ATOM 745 CA MET A 46 -11.154 -3.966 -4.390 1.00 71.35 C ATOM 746 C MET A 46 -11.712 -4.894 -5.487 1.00 73.30 C ATOM 747 O MET A 46 -11.737 -4.532 -6.668 1.00 14.44 O ATOM 748 CB MET A 46 -9.653 -4.221 -4.180 1.00 61.15 C ATOM 749 CG MET A 46 -9.322 -5.608 -3.646 1.00 4.03 C ATOM 750 SD MET A 46 -7.548 -5.854 -3.430 1.00 52.11 S ATOM 751 CE MET A 46 -6.970 -5.630 -5.111 1.00 10.42 C ATOM 0 H MET A 46 -11.351 -4.578 -2.385 1.00 54.04 H new ATOM 0 HA MET A 46 -11.295 -2.940 -4.730 1.00 71.35 H new ATOM 0 HB2 MET A 46 -9.136 -4.077 -5.128 1.00 61.15 H new ATOM 0 HB3 MET A 46 -9.263 -3.475 -3.487 1.00 61.15 H new ATOM 0 HG2 MET A 46 -9.826 -5.757 -2.691 1.00 4.03 H new ATOM 0 HG3 MET A 46 -9.710 -6.361 -4.332 1.00 4.03 H new ATOM 0 HE1 MET A 46 -5.913 -5.363 -5.100 1.00 10.42 H new ATOM 0 HE2 MET A 46 -7.104 -6.557 -5.668 1.00 10.42 H new ATOM 0 HE3 MET A 46 -7.541 -4.834 -5.589 1.00 10.42 H new ATOM 761 N GLN A 47 -12.169 -6.081 -5.100 1.00 55.05 N ATOM 762 CA GLN A 47 -12.736 -7.039 -6.058 1.00 3.34 C ATOM 763 C GLN A 47 -13.951 -6.446 -6.793 1.00 53.11 C ATOM 764 O GLN A 47 -14.119 -6.636 -8.002 1.00 73.32 O ATOM 765 CB GLN A 47 -13.140 -8.333 -5.337 1.00 72.13 C ATOM 766 CG GLN A 47 -13.690 -9.416 -6.258 1.00 54.14 C ATOM 767 CD GLN A 47 -14.091 -10.675 -5.509 1.00 61.10 C ATOM 768 OE1 GLN A 47 -14.488 -10.626 -4.350 1.00 23.23 O ATOM 769 NE2 GLN A 47 -13.987 -11.814 -6.160 1.00 34.30 N ATOM 0 H GLN A 47 -12.160 -6.407 -4.134 1.00 55.05 H new ATOM 0 HA GLN A 47 -11.969 -7.263 -6.799 1.00 3.34 H new ATOM 0 HB2 GLN A 47 -12.272 -8.727 -4.809 1.00 72.13 H new ATOM 0 HB3 GLN A 47 -13.891 -8.096 -4.584 1.00 72.13 H new ATOM 0 HG2 GLN A 47 -14.555 -9.026 -6.794 1.00 54.14 H new ATOM 0 HG3 GLN A 47 -12.938 -9.667 -7.006 1.00 54.14 H new ATOM 0 HE21 GLN A 47 -13.653 -11.822 -7.124 1.00 34.30 H new ATOM 0 HE22 GLN A 47 -14.240 -12.689 -5.701 1.00 34.30 H new ATOM 778 N LYS A 48 -14.781 -5.711 -6.059 1.00 0.52 N ATOM 779 CA LYS A 48 -16.008 -5.119 -6.613 1.00 15.34 C ATOM 780 C LYS A 48 -15.723 -4.053 -7.691 1.00 22.25 C ATOM 781 O LYS A 48 -16.585 -3.758 -8.519 1.00 31.33 O ATOM 782 CB LYS A 48 -16.846 -4.522 -5.474 1.00 34.15 C ATOM 783 CG LYS A 48 -17.362 -5.575 -4.496 1.00 11.15 C ATOM 784 CD LYS A 48 -17.899 -4.957 -3.208 1.00 31.22 C ATOM 785 CE LYS A 48 -18.336 -6.036 -2.227 1.00 41.44 C ATOM 786 NZ LYS A 48 -18.617 -5.489 -0.874 1.00 44.12 N ATOM 0 H LYS A 48 -14.630 -5.506 -5.071 1.00 0.52 H new ATOM 0 HA LYS A 48 -16.564 -5.916 -7.107 1.00 15.34 H new ATOM 0 HB2 LYS A 48 -16.244 -3.794 -4.931 1.00 34.15 H new ATOM 0 HB3 LYS A 48 -17.693 -3.982 -5.898 1.00 34.15 H new ATOM 0 HG2 LYS A 48 -18.151 -6.156 -4.974 1.00 11.15 H new ATOM 0 HG3 LYS A 48 -16.557 -6.269 -4.255 1.00 11.15 H new ATOM 0 HD2 LYS A 48 -17.130 -4.334 -2.751 1.00 31.22 H new ATOM 0 HD3 LYS A 48 -18.742 -4.305 -3.437 1.00 31.22 H new ATOM 0 HE2 LYS A 48 -19.229 -6.531 -2.609 1.00 41.44 H new ATOM 0 HE3 LYS A 48 -17.557 -6.795 -2.155 1.00 41.44 H new ATOM 0 HZ1 LYS A 48 -18.911 -6.261 -0.242 1.00 44.12 H new ATOM 0 HZ2 LYS A 48 -17.759 -5.039 -0.496 1.00 44.12 H new ATOM 0 HZ3 LYS A 48 -19.379 -4.783 -0.936 1.00 44.12 H new ATOM 800 N ARG A 49 -14.520 -3.472 -7.685 1.00 12.25 N ATOM 801 CA ARG A 49 -14.141 -2.472 -8.700 1.00 14.15 C ATOM 802 C ARG A 49 -13.253 -3.067 -9.813 1.00 73.23 C ATOM 803 O ARG A 49 -12.567 -2.332 -10.528 1.00 72.04 O ATOM 804 CB ARG A 49 -13.443 -1.269 -8.047 1.00 52.34 C ATOM 805 CG ARG A 49 -12.247 -1.633 -7.178 1.00 54.00 C ATOM 806 CD ARG A 49 -11.482 -0.396 -6.729 1.00 42.20 C ATOM 807 NE ARG A 49 -10.843 0.285 -7.856 1.00 31.12 N ATOM 808 CZ ARG A 49 -10.592 1.565 -7.902 1.00 5.24 C ATOM 809 NH1 ARG A 49 -10.995 2.357 -6.957 1.00 23.21 N ATOM 810 NH2 ARG A 49 -9.959 2.056 -8.917 1.00 31.15 N ATOM 0 H ARG A 49 -13.794 -3.671 -6.997 1.00 12.25 H new ATOM 0 HA ARG A 49 -15.066 -2.136 -9.169 1.00 14.15 H new ATOM 0 HB2 ARG A 49 -13.114 -0.586 -8.830 1.00 52.34 H new ATOM 0 HB3 ARG A 49 -14.169 -0.730 -7.438 1.00 52.34 H new ATOM 0 HG2 ARG A 49 -12.587 -2.188 -6.304 1.00 54.00 H new ATOM 0 HG3 ARG A 49 -11.580 -2.292 -7.734 1.00 54.00 H new ATOM 0 HD2 ARG A 49 -12.164 0.291 -6.228 1.00 42.20 H new ATOM 0 HD3 ARG A 49 -10.724 -0.682 -6.000 1.00 42.20 H new ATOM 0 HE ARG A 49 -10.575 -0.280 -8.662 1.00 31.12 H new ATOM 0 HH11 ARG A 49 -11.516 1.982 -6.164 1.00 23.21 H new ATOM 0 HH12 ARG A 49 -10.791 3.355 -7.007 1.00 23.21 H new ATOM 0 HH21 ARG A 49 -9.659 1.444 -9.676 1.00 31.15 H new ATOM 0 HH22 ARG A 49 -9.760 3.055 -8.959 1.00 31.15 H new ATOM 824 N GLY A 50 -13.274 -4.390 -9.963 1.00 23.34 N ATOM 825 CA GLY A 50 -12.564 -5.035 -11.070 1.00 1.53 C ATOM 826 C GLY A 50 -11.084 -5.297 -10.802 1.00 1.40 C ATOM 827 O GLY A 50 -10.278 -5.340 -11.732 1.00 54.43 O ATOM 0 H GLY A 50 -13.768 -5.031 -9.342 1.00 23.34 H new ATOM 0 HA2 GLY A 50 -13.053 -5.982 -11.296 1.00 1.53 H new ATOM 0 HA3 GLY A 50 -12.655 -4.409 -11.958 1.00 1.53 H new ATOM 831 N THR A 51 -10.718 -5.473 -9.537 1.00 23.31 N ATOM 832 CA THR A 51 -9.335 -5.826 -9.179 1.00 50.42 C ATOM 833 C THR A 51 -9.295 -6.691 -7.905 1.00 42.01 C ATOM 834 O THR A 51 -9.283 -6.177 -6.792 1.00 30.55 O ATOM 835 CB THR A 51 -8.440 -4.563 -9.011 1.00 25.14 C ATOM 836 OG1 THR A 51 -7.120 -4.927 -8.569 1.00 64.40 O ATOM 837 CG2 THR A 51 -9.048 -3.558 -8.038 1.00 34.10 C ATOM 0 H THR A 51 -11.350 -5.379 -8.742 1.00 23.31 H new ATOM 0 HA THR A 51 -8.930 -6.411 -10.005 1.00 50.42 H new ATOM 0 HB THR A 51 -8.374 -4.089 -9.990 1.00 25.14 H new ATOM 0 HG1 THR A 51 -6.573 -4.119 -8.471 1.00 64.40 H new ATOM 0 HG21 THR A 51 -8.391 -2.693 -7.951 1.00 34.10 H new ATOM 0 HG22 THR A 51 -10.022 -3.238 -8.407 1.00 34.10 H new ATOM 0 HG23 THR A 51 -9.166 -4.024 -7.060 1.00 34.10 H new ATOM 845 N PRO A 52 -9.336 -8.030 -8.057 1.00 50.10 N ATOM 846 CA PRO A 52 -9.296 -8.966 -6.923 1.00 42.25 C ATOM 847 C PRO A 52 -7.871 -9.405 -6.523 1.00 63.42 C ATOM 848 O PRO A 52 -6.881 -9.027 -7.155 1.00 24.34 O ATOM 849 CB PRO A 52 -10.083 -10.154 -7.476 1.00 23.31 C ATOM 850 CG PRO A 52 -9.739 -10.181 -8.933 1.00 32.41 C ATOM 851 CD PRO A 52 -9.464 -8.747 -9.343 1.00 34.25 C ATOM 0 HA PRO A 52 -9.694 -8.522 -6.011 1.00 42.25 H new ATOM 0 HB2 PRO A 52 -9.798 -11.084 -6.983 1.00 23.31 H new ATOM 0 HB3 PRO A 52 -11.155 -10.027 -7.323 1.00 23.31 H new ATOM 0 HG2 PRO A 52 -8.866 -10.809 -9.113 1.00 32.41 H new ATOM 0 HG3 PRO A 52 -10.559 -10.600 -9.516 1.00 32.41 H new ATOM 0 HD2 PRO A 52 -8.553 -8.669 -9.937 1.00 34.25 H new ATOM 0 HD3 PRO A 52 -10.275 -8.342 -9.948 1.00 34.25 H new ATOM 859 N VAL A 53 -7.779 -10.215 -5.464 1.00 44.43 N ATOM 860 CA VAL A 53 -6.496 -10.770 -5.010 1.00 22.41 C ATOM 861 C VAL A 53 -6.494 -12.303 -5.117 1.00 32.05 C ATOM 862 O VAL A 53 -7.045 -12.998 -4.261 1.00 64.03 O ATOM 863 CB VAL A 53 -6.180 -10.361 -3.547 1.00 63.33 C ATOM 864 CG1 VAL A 53 -4.802 -10.874 -3.120 1.00 32.23 C ATOM 865 CG2 VAL A 53 -6.272 -8.847 -3.373 1.00 63.32 C ATOM 0 H VAL A 53 -8.580 -10.503 -4.902 1.00 44.43 H new ATOM 0 HA VAL A 53 -5.725 -10.359 -5.661 1.00 22.41 H new ATOM 0 HB VAL A 53 -6.927 -10.823 -2.901 1.00 63.33 H new ATOM 0 HG11 VAL A 53 -4.605 -10.574 -2.091 1.00 32.23 H new ATOM 0 HG12 VAL A 53 -4.780 -11.961 -3.191 1.00 32.23 H new ATOM 0 HG13 VAL A 53 -4.038 -10.452 -3.773 1.00 32.23 H new ATOM 0 HG21 VAL A 53 -6.046 -8.585 -2.339 1.00 63.32 H new ATOM 0 HG22 VAL A 53 -5.556 -8.360 -4.035 1.00 63.32 H new ATOM 0 HG23 VAL A 53 -7.280 -8.513 -3.620 1.00 63.32 H new ATOM 875 N ASN A 54 -5.891 -12.823 -6.183 1.00 25.43 N ATOM 876 CA ASN A 54 -5.825 -14.273 -6.406 1.00 4.20 C ATOM 877 C ASN A 54 -4.510 -14.859 -5.866 1.00 60.04 C ATOM 878 O ASN A 54 -4.512 -15.800 -5.068 1.00 61.14 O ATOM 879 CB ASN A 54 -5.967 -14.576 -7.901 1.00 14.02 C ATOM 880 CG ASN A 54 -7.226 -13.966 -8.488 1.00 74.13 C ATOM 881 OD1 ASN A 54 -7.217 -12.836 -8.970 1.00 33.22 O ATOM 882 ND2 ASN A 54 -8.321 -14.697 -8.446 1.00 13.01 N ATOM 0 H ASN A 54 -5.440 -12.266 -6.908 1.00 25.43 H new ATOM 0 HA ASN A 54 -6.647 -14.741 -5.864 1.00 4.20 H new ATOM 0 HB2 ASN A 54 -5.096 -14.192 -8.433 1.00 14.02 H new ATOM 0 HB3 ASN A 54 -5.983 -15.655 -8.052 1.00 14.02 H new ATOM 0 HD21 ASN A 54 -9.195 -14.328 -8.821 1.00 13.01 H new ATOM 0 HD22 ASN A 54 -8.295 -15.632 -8.039 1.00 13.01 H new ATOM 889 N ARG A 55 -3.384 -14.301 -6.312 1.00 12.02 N ATOM 890 CA ARG A 55 -2.066 -14.718 -5.824 1.00 62.21 C ATOM 891 C ARG A 55 -1.433 -13.617 -4.956 1.00 43.32 C ATOM 892 O ARG A 55 -1.224 -12.491 -5.413 1.00 13.33 O ATOM 893 CB ARG A 55 -1.141 -15.067 -7.000 1.00 15.44 C ATOM 894 CG ARG A 55 0.217 -15.617 -6.564 1.00 61.04 C ATOM 895 CD ARG A 55 1.065 -16.062 -7.752 1.00 74.44 C ATOM 896 NE ARG A 55 1.417 -14.951 -8.636 1.00 75.02 N ATOM 897 CZ ARG A 55 2.189 -15.064 -9.686 1.00 43.10 C ATOM 898 NH1 ARG A 55 2.658 -16.215 -10.041 1.00 51.11 N ATOM 899 NH2 ARG A 55 2.469 -14.022 -10.394 1.00 40.43 N ATOM 0 H ARG A 55 -3.357 -13.559 -7.011 1.00 12.02 H new ATOM 0 HA ARG A 55 -2.198 -15.608 -5.209 1.00 62.21 H new ATOM 0 HB2 ARG A 55 -1.635 -15.802 -7.635 1.00 15.44 H new ATOM 0 HB3 ARG A 55 -0.985 -14.175 -7.607 1.00 15.44 H new ATOM 0 HG2 ARG A 55 0.754 -14.852 -6.002 1.00 61.04 H new ATOM 0 HG3 ARG A 55 0.067 -16.461 -5.890 1.00 61.04 H new ATOM 0 HD2 ARG A 55 1.977 -16.534 -7.387 1.00 74.44 H new ATOM 0 HD3 ARG A 55 0.521 -16.816 -8.321 1.00 74.44 H new ATOM 0 HE ARG A 55 1.036 -14.030 -8.420 1.00 75.02 H new ATOM 0 HH11 ARG A 55 2.427 -17.049 -9.500 1.00 51.11 H new ATOM 0 HH12 ARG A 55 3.259 -16.290 -10.862 1.00 51.11 H new ATOM 0 HH21 ARG A 55 2.089 -13.112 -10.135 1.00 40.43 H new ATOM 0 HH22 ARG A 55 3.071 -14.109 -11.213 1.00 40.43 H new ATOM 913 N ILE A 56 -1.131 -13.954 -3.706 1.00 3.31 N ATOM 914 CA ILE A 56 -0.564 -12.993 -2.751 1.00 2.34 C ATOM 915 C ILE A 56 0.955 -12.806 -2.956 1.00 10.03 C ATOM 916 O ILE A 56 1.698 -13.778 -3.095 1.00 43.34 O ATOM 917 CB ILE A 56 -0.870 -13.438 -1.294 1.00 22.43 C ATOM 918 CG1 ILE A 56 -2.393 -13.424 -1.064 1.00 30.22 C ATOM 919 CG2 ILE A 56 -0.155 -12.550 -0.276 1.00 31.35 C ATOM 920 CD1 ILE A 56 -2.814 -13.847 0.327 1.00 64.04 C ATOM 0 H ILE A 56 -1.269 -14.890 -3.324 1.00 3.31 H new ATOM 0 HA ILE A 56 -1.036 -12.028 -2.933 1.00 2.34 H new ATOM 0 HB ILE A 56 -0.495 -14.452 -1.153 1.00 22.43 H new ATOM 0 HG12 ILE A 56 -2.769 -12.419 -1.255 1.00 30.22 H new ATOM 0 HG13 ILE A 56 -2.865 -14.085 -1.791 1.00 30.22 H new ATOM 0 HG21 ILE A 56 -0.391 -12.890 0.732 1.00 31.35 H new ATOM 0 HG22 ILE A 56 0.922 -12.608 -0.435 1.00 31.35 H new ATOM 0 HG23 ILE A 56 -0.485 -11.518 -0.398 1.00 31.35 H new ATOM 0 HD11 ILE A 56 -3.901 -13.809 0.405 1.00 64.04 H new ATOM 0 HD12 ILE A 56 -2.471 -14.864 0.517 1.00 64.04 H new ATOM 0 HD13 ILE A 56 -2.374 -13.172 1.061 1.00 64.04 H new ATOM 932 N PRO A 57 1.433 -11.538 -2.995 1.00 44.21 N ATOM 933 CA PRO A 57 2.854 -11.225 -3.259 1.00 62.14 C ATOM 934 C PRO A 57 3.815 -11.651 -2.126 1.00 61.15 C ATOM 935 O PRO A 57 3.511 -11.510 -0.936 1.00 0.23 O ATOM 936 CB PRO A 57 2.852 -9.695 -3.419 1.00 43.22 C ATOM 937 CG PRO A 57 1.668 -9.234 -2.636 1.00 44.13 C ATOM 938 CD PRO A 57 0.629 -10.313 -2.784 1.00 10.53 C ATOM 0 HA PRO A 57 3.220 -11.771 -4.128 1.00 62.14 H new ATOM 0 HB2 PRO A 57 3.774 -9.256 -3.038 1.00 43.22 H new ATOM 0 HB3 PRO A 57 2.771 -9.406 -4.467 1.00 43.22 H new ATOM 0 HG2 PRO A 57 1.928 -9.083 -1.588 1.00 44.13 H new ATOM 0 HG3 PRO A 57 1.298 -8.281 -3.013 1.00 44.13 H new ATOM 0 HD2 PRO A 57 0.002 -10.392 -1.896 1.00 10.53 H new ATOM 0 HD3 PRO A 57 -0.035 -10.118 -3.626 1.00 10.53 H new ATOM 946 N ILE A 58 4.988 -12.162 -2.516 1.00 41.44 N ATOM 947 CA ILE A 58 6.027 -12.580 -1.566 1.00 11.30 C ATOM 948 C ILE A 58 7.293 -11.715 -1.726 1.00 54.13 C ATOM 949 O ILE A 58 7.650 -11.322 -2.838 1.00 2.52 O ATOM 950 CB ILE A 58 6.400 -14.073 -1.776 1.00 21.14 C ATOM 951 CG1 ILE A 58 5.156 -14.973 -1.639 1.00 22.20 C ATOM 952 CG2 ILE A 58 7.492 -14.506 -0.793 1.00 73.20 C ATOM 953 CD1 ILE A 58 4.502 -14.925 -0.273 1.00 54.41 C ATOM 0 H ILE A 58 5.244 -12.297 -3.494 1.00 41.44 H new ATOM 0 HA ILE A 58 5.626 -12.449 -0.561 1.00 11.30 H new ATOM 0 HB ILE A 58 6.791 -14.184 -2.788 1.00 21.14 H new ATOM 0 HG12 ILE A 58 4.424 -14.678 -2.391 1.00 22.20 H new ATOM 0 HG13 ILE A 58 5.440 -16.002 -1.857 1.00 22.20 H new ATOM 0 HG21 ILE A 58 7.736 -15.555 -0.960 1.00 73.20 H new ATOM 0 HG22 ILE A 58 8.383 -13.897 -0.947 1.00 73.20 H new ATOM 0 HG23 ILE A 58 7.135 -14.374 0.228 1.00 73.20 H new ATOM 0 HD11 ILE A 58 3.635 -15.586 -0.261 1.00 54.41 H new ATOM 0 HD12 ILE A 58 5.216 -15.250 0.484 1.00 54.41 H new ATOM 0 HD13 ILE A 58 4.184 -13.905 -0.058 1.00 54.41 H new ATOM 965 N MET A 59 7.964 -11.414 -0.615 1.00 22.34 N ATOM 966 CA MET A 59 9.188 -10.602 -0.636 1.00 63.43 C ATOM 967 C MET A 59 10.210 -11.114 0.395 1.00 33.44 C ATOM 968 O MET A 59 9.858 -11.386 1.539 1.00 33.24 O ATOM 969 CB MET A 59 8.848 -9.131 -0.346 1.00 10.42 C ATOM 970 CG MET A 59 10.055 -8.199 -0.379 1.00 63.14 C ATOM 971 SD MET A 59 10.793 -8.066 -2.018 1.00 53.54 S ATOM 972 CE MET A 59 9.504 -7.191 -2.902 1.00 12.23 C ATOM 0 H MET A 59 7.682 -11.720 0.316 1.00 22.34 H new ATOM 0 HA MET A 59 9.632 -10.683 -1.628 1.00 63.43 H new ATOM 0 HB2 MET A 59 8.116 -8.787 -1.076 1.00 10.42 H new ATOM 0 HB3 MET A 59 8.376 -9.064 0.634 1.00 10.42 H new ATOM 0 HG2 MET A 59 9.752 -7.208 -0.041 1.00 63.14 H new ATOM 0 HG3 MET A 59 10.806 -8.560 0.324 1.00 63.14 H new ATOM 0 HE1 MET A 59 9.918 -6.755 -3.811 1.00 12.23 H new ATOM 0 HE2 MET A 59 8.706 -7.886 -3.163 1.00 12.23 H new ATOM 0 HE3 MET A 59 9.103 -6.399 -2.270 1.00 12.23 H new ATOM 982 N ALA A 60 11.473 -11.248 -0.020 1.00 13.51 N ATOM 983 CA ALA A 60 12.556 -11.686 0.878 1.00 41.24 C ATOM 984 C ALA A 60 12.284 -13.076 1.488 1.00 31.30 C ATOM 985 O ALA A 60 12.714 -13.367 2.604 1.00 15.44 O ATOM 986 CB ALA A 60 12.771 -10.649 1.980 1.00 55.53 C ATOM 0 H ALA A 60 11.776 -11.060 -0.976 1.00 13.51 H new ATOM 0 HA ALA A 60 13.464 -11.774 0.281 1.00 41.24 H new ATOM 0 HB1 ALA A 60 13.573 -10.980 2.640 1.00 55.53 H new ATOM 0 HB2 ALA A 60 13.041 -9.693 1.532 1.00 55.53 H new ATOM 0 HB3 ALA A 60 11.852 -10.534 2.555 1.00 55.53 H new ATOM 992 N LYS A 61 11.590 -13.931 0.730 1.00 23.44 N ATOM 993 CA LYS A 61 11.237 -15.293 1.175 1.00 63.02 C ATOM 994 C LYS A 61 10.235 -15.282 2.347 1.00 33.32 C ATOM 995 O LYS A 61 10.140 -16.247 3.113 1.00 72.24 O ATOM 996 CB LYS A 61 12.496 -16.097 1.553 1.00 64.34 C ATOM 997 CG LYS A 61 13.443 -16.373 0.383 1.00 2.41 C ATOM 998 CD LYS A 61 12.768 -17.170 -0.734 1.00 43.32 C ATOM 999 CE LYS A 61 12.150 -18.473 -0.225 1.00 12.42 C ATOM 1000 NZ LYS A 61 13.145 -19.344 0.457 1.00 43.44 N ATOM 0 H LYS A 61 11.256 -13.705 -0.207 1.00 23.44 H new ATOM 0 HA LYS A 61 10.750 -15.782 0.332 1.00 63.02 H new ATOM 0 HB2 LYS A 61 13.041 -15.554 2.326 1.00 64.34 H new ATOM 0 HB3 LYS A 61 12.188 -17.048 1.988 1.00 64.34 H new ATOM 0 HG2 LYS A 61 13.807 -15.427 -0.018 1.00 2.41 H new ATOM 0 HG3 LYS A 61 14.313 -16.922 0.744 1.00 2.41 H new ATOM 0 HD2 LYS A 61 11.993 -16.559 -1.196 1.00 43.32 H new ATOM 0 HD3 LYS A 61 13.500 -17.396 -1.509 1.00 43.32 H new ATOM 0 HE2 LYS A 61 11.339 -18.242 0.466 1.00 12.42 H new ATOM 0 HE3 LYS A 61 11.710 -19.015 -1.062 1.00 12.42 H new ATOM 0 HZ1 LYS A 61 12.709 -20.262 0.678 1.00 43.44 H new ATOM 0 HZ2 LYS A 61 13.963 -19.491 -0.168 1.00 43.44 H new ATOM 0 HZ3 LYS A 61 13.459 -18.889 1.338 1.00 43.44 H new ATOM 1014 N GLN A 62 9.495 -14.182 2.479 1.00 74.32 N ATOM 1015 CA GLN A 62 8.394 -14.084 3.447 1.00 20.11 C ATOM 1016 C GLN A 62 7.205 -13.343 2.818 1.00 75.11 C ATOM 1017 O GLN A 62 7.360 -12.636 1.822 1.00 54.42 O ATOM 1018 CB GLN A 62 8.851 -13.373 4.733 1.00 45.32 C ATOM 1019 CG GLN A 62 9.292 -11.926 4.528 1.00 61.34 C ATOM 1020 CD GLN A 62 9.611 -11.218 5.838 1.00 65.13 C ATOM 1021 OE1 GLN A 62 10.745 -11.227 6.313 1.00 44.52 O ATOM 1022 NE2 GLN A 62 8.611 -10.595 6.429 1.00 31.12 N ATOM 0 H GLN A 62 9.637 -13.338 1.925 1.00 74.32 H new ATOM 0 HA GLN A 62 8.081 -15.093 3.715 1.00 20.11 H new ATOM 0 HB2 GLN A 62 8.035 -13.393 5.455 1.00 45.32 H new ATOM 0 HB3 GLN A 62 9.677 -13.934 5.170 1.00 45.32 H new ATOM 0 HG2 GLN A 62 10.172 -11.906 3.885 1.00 61.34 H new ATOM 0 HG3 GLN A 62 8.505 -11.381 4.007 1.00 61.34 H new ATOM 0 HE21 GLN A 62 7.682 -10.607 6.008 1.00 31.12 H new ATOM 0 HE22 GLN A 62 8.766 -10.101 7.308 1.00 31.12 H new ATOM 1031 N VAL A 63 6.019 -13.507 3.388 1.00 65.15 N ATOM 1032 CA VAL A 63 4.813 -12.883 2.835 1.00 63.11 C ATOM 1033 C VAL A 63 4.821 -11.355 3.017 1.00 11.04 C ATOM 1034 O VAL A 63 5.310 -10.839 4.025 1.00 61.55 O ATOM 1035 CB VAL A 63 3.532 -13.467 3.478 1.00 35.34 C ATOM 1036 CG1 VAL A 63 3.493 -13.183 4.979 1.00 21.44 C ATOM 1037 CG2 VAL A 63 2.284 -12.923 2.782 1.00 14.53 C ATOM 0 H VAL A 63 5.861 -14.063 4.229 1.00 65.15 H new ATOM 0 HA VAL A 63 4.813 -13.106 1.768 1.00 63.11 H new ATOM 0 HB VAL A 63 3.549 -14.549 3.347 1.00 35.34 H new ATOM 0 HG11 VAL A 63 2.583 -13.604 5.405 1.00 21.44 H new ATOM 0 HG12 VAL A 63 4.361 -13.636 5.458 1.00 21.44 H new ATOM 0 HG13 VAL A 63 3.507 -12.106 5.146 1.00 21.44 H new ATOM 0 HG21 VAL A 63 1.394 -13.345 3.248 1.00 14.53 H new ATOM 0 HG22 VAL A 63 2.261 -11.837 2.873 1.00 14.53 H new ATOM 0 HG23 VAL A 63 2.306 -13.198 1.728 1.00 14.53 H new ATOM 1047 N LEU A 64 4.290 -10.639 2.027 1.00 45.05 N ATOM 1048 CA LEU A 64 4.145 -9.186 2.119 1.00 51.45 C ATOM 1049 C LEU A 64 2.945 -8.820 3.009 1.00 11.52 C ATOM 1050 O LEU A 64 1.791 -8.944 2.594 1.00 34.43 O ATOM 1051 CB LEU A 64 3.970 -8.582 0.714 1.00 61.33 C ATOM 1052 CG LEU A 64 3.870 -7.048 0.656 1.00 33.42 C ATOM 1053 CD1 LEU A 64 5.153 -6.401 1.173 1.00 2.21 C ATOM 1054 CD2 LEU A 64 3.558 -6.582 -0.768 1.00 71.45 C ATOM 0 H LEU A 64 3.953 -11.041 1.152 1.00 45.05 H new ATOM 0 HA LEU A 64 5.048 -8.774 2.570 1.00 51.45 H new ATOM 0 HB2 LEU A 64 4.811 -8.897 0.096 1.00 61.33 H new ATOM 0 HB3 LEU A 64 3.070 -9.004 0.267 1.00 61.33 H new ATOM 0 HG LEU A 64 3.051 -6.734 1.303 1.00 33.42 H new ATOM 0 HD11 LEU A 64 5.059 -5.316 1.123 1.00 2.21 H new ATOM 0 HD12 LEU A 64 5.322 -6.703 2.207 1.00 2.21 H new ATOM 0 HD13 LEU A 64 5.995 -6.721 0.559 1.00 2.21 H new ATOM 0 HD21 LEU A 64 3.491 -5.494 -0.788 1.00 71.45 H new ATOM 0 HD22 LEU A 64 4.351 -6.910 -1.440 1.00 71.45 H new ATOM 0 HD23 LEU A 64 2.609 -7.010 -1.091 1.00 71.45 H new ATOM 1066 N ASP A 65 3.225 -8.404 4.243 1.00 62.32 N ATOM 1067 CA ASP A 65 2.172 -8.031 5.195 1.00 1.32 C ATOM 1068 C ASP A 65 1.298 -6.879 4.664 1.00 74.13 C ATOM 1069 O ASP A 65 1.542 -5.720 4.980 1.00 41.11 O ATOM 1070 CB ASP A 65 2.791 -7.612 6.536 1.00 13.00 C ATOM 1071 CG ASP A 65 3.781 -8.626 7.076 1.00 45.32 C ATOM 1072 OD1 ASP A 65 4.901 -8.712 6.536 1.00 65.32 O ATOM 1073 OD2 ASP A 65 3.451 -9.324 8.054 1.00 72.45 O ATOM 0 H ASP A 65 4.172 -8.316 4.610 1.00 62.32 H new ATOM 0 HA ASP A 65 1.539 -8.908 5.332 1.00 1.32 H new ATOM 0 HB2 ASP A 65 3.293 -6.652 6.414 1.00 13.00 H new ATOM 0 HB3 ASP A 65 1.996 -7.465 7.267 1.00 13.00 H new ATOM 1078 N LEU A 66 0.281 -7.198 3.862 1.00 44.14 N ATOM 1079 CA LEU A 66 -0.625 -6.176 3.309 1.00 52.34 C ATOM 1080 C LEU A 66 -1.244 -5.301 4.415 1.00 35.24 C ATOM 1081 O LEU A 66 -1.416 -4.092 4.246 1.00 34.33 O ATOM 1082 CB LEU A 66 -1.734 -6.838 2.472 1.00 12.24 C ATOM 1083 CG LEU A 66 -1.246 -7.630 1.245 1.00 31.23 C ATOM 1084 CD1 LEU A 66 -2.426 -8.234 0.486 1.00 2.35 C ATOM 1085 CD2 LEU A 66 -0.410 -6.741 0.325 1.00 24.11 C ATOM 0 H LEU A 66 0.060 -8.152 3.578 1.00 44.14 H new ATOM 0 HA LEU A 66 -0.031 -5.526 2.666 1.00 52.34 H new ATOM 0 HB2 LEU A 66 -2.301 -7.510 3.116 1.00 12.24 H new ATOM 0 HB3 LEU A 66 -2.423 -6.064 2.134 1.00 12.24 H new ATOM 0 HG LEU A 66 -0.614 -8.446 1.597 1.00 31.23 H new ATOM 0 HD11 LEU A 66 -2.058 -8.789 -0.377 1.00 2.35 H new ATOM 0 HD12 LEU A 66 -2.975 -8.908 1.144 1.00 2.35 H new ATOM 0 HD13 LEU A 66 -3.088 -7.437 0.149 1.00 2.35 H new ATOM 0 HD21 LEU A 66 -0.075 -7.321 -0.535 1.00 24.11 H new ATOM 0 HD22 LEU A 66 -1.014 -5.901 -0.016 1.00 24.11 H new ATOM 0 HD23 LEU A 66 0.457 -6.367 0.870 1.00 24.11 H new ATOM 1097 N PHE A 67 -1.564 -5.920 5.552 1.00 22.02 N ATOM 1098 CA PHE A 67 -2.123 -5.199 6.705 1.00 0.12 C ATOM 1099 C PHE A 67 -1.154 -4.116 7.215 1.00 73.15 C ATOM 1100 O PHE A 67 -1.527 -2.951 7.369 1.00 2.12 O ATOM 1101 CB PHE A 67 -2.445 -6.199 7.828 1.00 10.32 C ATOM 1102 CG PHE A 67 -2.975 -5.568 9.094 1.00 32.13 C ATOM 1103 CD1 PHE A 67 -4.288 -5.126 9.171 1.00 72.53 C ATOM 1104 CD2 PHE A 67 -2.162 -5.426 10.213 1.00 41.44 C ATOM 1105 CE1 PHE A 67 -4.779 -4.555 10.331 1.00 11.23 C ATOM 1106 CE2 PHE A 67 -2.648 -4.857 11.375 1.00 21.41 C ATOM 1107 CZ PHE A 67 -3.959 -4.421 11.435 1.00 21.24 C ATOM 0 H PHE A 67 -1.447 -6.922 5.703 1.00 22.02 H new ATOM 0 HA PHE A 67 -3.038 -4.699 6.388 1.00 0.12 H new ATOM 0 HB2 PHE A 67 -3.179 -6.916 7.460 1.00 10.32 H new ATOM 0 HB3 PHE A 67 -1.542 -6.761 8.067 1.00 10.32 H new ATOM 0 HD1 PHE A 67 -4.936 -5.229 8.313 1.00 72.53 H new ATOM 0 HD2 PHE A 67 -1.137 -5.765 10.174 1.00 41.44 H new ATOM 0 HE1 PHE A 67 -5.803 -4.214 10.374 1.00 11.23 H new ATOM 0 HE2 PHE A 67 -2.004 -4.753 12.236 1.00 21.41 H new ATOM 0 HZ PHE A 67 -4.341 -3.977 12.342 1.00 21.24 H new ATOM 1117 N MET A 68 0.098 -4.504 7.448 1.00 70.02 N ATOM 1118 CA MET A 68 1.114 -3.571 7.946 1.00 65.23 C ATOM 1119 C MET A 68 1.574 -2.615 6.837 1.00 44.24 C ATOM 1120 O MET A 68 1.942 -1.474 7.101 1.00 3.40 O ATOM 1121 CB MET A 68 2.315 -4.339 8.510 1.00 43.33 C ATOM 1122 CG MET A 68 1.948 -5.326 9.609 1.00 24.00 C ATOM 1123 SD MET A 68 1.111 -4.538 11.000 1.00 13.22 S ATOM 1124 CE MET A 68 2.386 -3.419 11.584 1.00 42.02 C ATOM 0 H MET A 68 0.436 -5.455 7.301 1.00 70.02 H new ATOM 0 HA MET A 68 0.665 -2.980 8.744 1.00 65.23 H new ATOM 0 HB2 MET A 68 2.804 -4.878 7.699 1.00 43.33 H new ATOM 0 HB3 MET A 68 3.040 -3.626 8.902 1.00 43.33 H new ATOM 0 HG2 MET A 68 1.304 -6.102 9.195 1.00 24.00 H new ATOM 0 HG3 MET A 68 2.852 -5.819 9.966 1.00 24.00 H new ATOM 0 HE1 MET A 68 2.128 -3.062 12.581 1.00 42.02 H new ATOM 0 HE2 MET A 68 3.341 -3.943 11.622 1.00 42.02 H new ATOM 0 HE3 MET A 68 2.465 -2.571 10.904 1.00 42.02 H new ATOM 1134 N LEU A 69 1.539 -3.093 5.595 1.00 23.44 N ATOM 1135 CA LEU A 69 1.898 -2.281 4.430 1.00 13.41 C ATOM 1136 C LEU A 69 1.033 -1.019 4.378 1.00 3.23 C ATOM 1137 O LEU A 69 1.540 0.095 4.243 1.00 71.11 O ATOM 1138 CB LEU A 69 1.711 -3.100 3.142 1.00 51.31 C ATOM 1139 CG LEU A 69 2.237 -2.447 1.854 1.00 23.35 C ATOM 1140 CD1 LEU A 69 3.751 -2.288 1.924 1.00 21.33 C ATOM 1141 CD2 LEU A 69 1.833 -3.265 0.627 1.00 3.22 C ATOM 0 H LEU A 69 1.263 -4.048 5.366 1.00 23.44 H new ATOM 0 HA LEU A 69 2.944 -1.986 4.516 1.00 13.41 H new ATOM 0 HB2 LEU A 69 2.209 -4.061 3.269 1.00 51.31 H new ATOM 0 HB3 LEU A 69 0.648 -3.306 3.015 1.00 51.31 H new ATOM 0 HG LEU A 69 1.789 -1.458 1.760 1.00 23.35 H new ATOM 0 HD11 LEU A 69 4.111 -1.824 1.006 1.00 21.33 H new ATOM 0 HD12 LEU A 69 4.012 -1.658 2.775 1.00 21.33 H new ATOM 0 HD13 LEU A 69 4.215 -3.267 2.042 1.00 21.33 H new ATOM 0 HD21 LEU A 69 2.216 -2.784 -0.273 1.00 3.22 H new ATOM 0 HD22 LEU A 69 2.248 -4.270 0.707 1.00 3.22 H new ATOM 0 HD23 LEU A 69 0.746 -3.325 0.572 1.00 3.22 H new ATOM 1153 N TYR A 70 -0.281 -1.211 4.500 1.00 63.52 N ATOM 1154 CA TYR A 70 -1.225 -0.095 4.558 1.00 2.34 C ATOM 1155 C TYR A 70 -0.896 0.837 5.733 1.00 42.45 C ATOM 1156 O TYR A 70 -0.779 2.049 5.562 1.00 55.54 O ATOM 1157 CB TYR A 70 -2.661 -0.624 4.688 1.00 20.34 C ATOM 1158 CG TYR A 70 -3.728 0.458 4.649 1.00 3.13 C ATOM 1159 CD1 TYR A 70 -4.141 1.008 3.438 1.00 61.10 C ATOM 1160 CD2 TYR A 70 -4.329 0.922 5.817 1.00 71.14 C ATOM 1161 CE1 TYR A 70 -5.116 1.984 3.393 1.00 3.13 C ATOM 1162 CE2 TYR A 70 -5.305 1.900 5.777 1.00 51.21 C ATOM 1163 CZ TYR A 70 -5.695 2.427 4.563 1.00 0.41 C ATOM 1164 OH TYR A 70 -6.668 3.400 4.520 1.00 23.10 O ATOM 0 H TYR A 70 -0.716 -2.131 4.561 1.00 63.52 H new ATOM 0 HA TYR A 70 -1.139 0.476 3.633 1.00 2.34 H new ATOM 0 HB2 TYR A 70 -2.849 -1.334 3.883 1.00 20.34 H new ATOM 0 HB3 TYR A 70 -2.751 -1.174 5.625 1.00 20.34 H new ATOM 0 HD1 TYR A 70 -3.691 0.665 2.518 1.00 61.10 H new ATOM 0 HD2 TYR A 70 -4.027 0.511 6.769 1.00 71.14 H new ATOM 0 HE1 TYR A 70 -5.424 2.399 2.445 1.00 3.13 H new ATOM 0 HE2 TYR A 70 -5.760 2.250 6.692 1.00 51.21 H new ATOM 0 HH TYR A 70 -6.973 3.598 5.430 1.00 23.10 H new ATOM 1174 N VAL A 71 -0.741 0.260 6.927 1.00 45.30 N ATOM 1175 CA VAL A 71 -0.416 1.038 8.132 1.00 24.41 C ATOM 1176 C VAL A 71 0.810 1.948 7.920 1.00 42.11 C ATOM 1177 O VAL A 71 0.723 3.165 8.090 1.00 23.42 O ATOM 1178 CB VAL A 71 -0.159 0.111 9.348 1.00 60.14 C ATOM 1179 CG1 VAL A 71 0.223 0.924 10.588 1.00 41.03 C ATOM 1180 CG2 VAL A 71 -1.382 -0.761 9.627 1.00 4.31 C ATOM 0 H VAL A 71 -0.835 -0.743 7.089 1.00 45.30 H new ATOM 0 HA VAL A 71 -1.283 1.667 8.334 1.00 24.41 H new ATOM 0 HB VAL A 71 0.679 -0.542 9.105 1.00 60.14 H new ATOM 0 HG11 VAL A 71 0.398 0.249 11.426 1.00 41.03 H new ATOM 0 HG12 VAL A 71 1.130 1.493 10.385 1.00 41.03 H new ATOM 0 HG13 VAL A 71 -0.587 1.610 10.837 1.00 41.03 H new ATOM 0 HG21 VAL A 71 -1.182 -1.405 10.484 1.00 4.31 H new ATOM 0 HG22 VAL A 71 -2.241 -0.125 9.843 1.00 4.31 H new ATOM 0 HG23 VAL A 71 -1.597 -1.376 8.753 1.00 4.31 H new ATOM 1190 N LEU A 72 1.937 1.357 7.525 1.00 72.40 N ATOM 1191 CA LEU A 72 3.190 2.108 7.356 1.00 4.11 C ATOM 1192 C LEU A 72 3.084 3.196 6.269 1.00 2.45 C ATOM 1193 O LEU A 72 3.456 4.346 6.501 1.00 64.35 O ATOM 1194 CB LEU A 72 4.360 1.155 7.044 1.00 34.34 C ATOM 1195 CG LEU A 72 5.021 0.488 8.266 1.00 4.41 C ATOM 1196 CD1 LEU A 72 5.609 1.540 9.202 1.00 1.15 C ATOM 1197 CD2 LEU A 72 4.030 -0.402 9.013 1.00 32.14 C ATOM 0 H LEU A 72 2.013 0.362 7.315 1.00 72.40 H new ATOM 0 HA LEU A 72 3.383 2.613 8.302 1.00 4.11 H new ATOM 0 HB2 LEU A 72 3.999 0.372 6.377 1.00 34.34 H new ATOM 0 HB3 LEU A 72 5.123 1.712 6.500 1.00 34.34 H new ATOM 0 HG LEU A 72 5.832 -0.144 7.903 1.00 4.41 H new ATOM 0 HD11 LEU A 72 6.071 1.048 10.058 1.00 1.15 H new ATOM 0 HD12 LEU A 72 6.361 2.122 8.669 1.00 1.15 H new ATOM 0 HD13 LEU A 72 4.816 2.203 9.549 1.00 1.15 H new ATOM 0 HD21 LEU A 72 4.525 -0.859 9.870 1.00 32.14 H new ATOM 0 HD22 LEU A 72 3.189 0.200 9.358 1.00 32.14 H new ATOM 0 HD23 LEU A 72 3.667 -1.183 8.345 1.00 32.14 H new ATOM 1209 N VAL A 73 2.584 2.839 5.087 1.00 74.20 N ATOM 1210 CA VAL A 73 2.467 3.808 3.987 1.00 44.44 C ATOM 1211 C VAL A 73 1.561 4.994 4.367 1.00 62.01 C ATOM 1212 O VAL A 73 1.907 6.158 4.133 1.00 11.54 O ATOM 1213 CB VAL A 73 1.938 3.140 2.692 1.00 75.14 C ATOM 1214 CG1 VAL A 73 1.732 4.170 1.581 1.00 12.42 C ATOM 1215 CG2 VAL A 73 2.893 2.040 2.232 1.00 54.41 C ATOM 0 H VAL A 73 2.256 1.900 4.863 1.00 74.20 H new ATOM 0 HA VAL A 73 3.472 4.186 3.799 1.00 44.44 H new ATOM 0 HB VAL A 73 0.970 2.692 2.916 1.00 75.14 H new ATOM 0 HG11 VAL A 73 1.361 3.671 0.686 1.00 12.42 H new ATOM 0 HG12 VAL A 73 1.008 4.917 1.907 1.00 12.42 H new ATOM 0 HG13 VAL A 73 2.681 4.658 1.357 1.00 12.42 H new ATOM 0 HG21 VAL A 73 2.508 1.581 1.322 1.00 54.41 H new ATOM 0 HG22 VAL A 73 3.875 2.470 2.034 1.00 54.41 H new ATOM 0 HG23 VAL A 73 2.979 1.283 3.012 1.00 54.41 H new ATOM 1225 N THR A 74 0.410 4.698 4.969 1.00 1.31 N ATOM 1226 CA THR A 74 -0.542 5.742 5.378 1.00 50.22 C ATOM 1227 C THR A 74 0.036 6.652 6.473 1.00 64.11 C ATOM 1228 O THR A 74 -0.064 7.879 6.387 1.00 64.34 O ATOM 1229 CB THR A 74 -1.877 5.140 5.884 1.00 75.12 C ATOM 1230 OG1 THR A 74 -1.651 4.303 7.029 1.00 73.02 O ATOM 1231 CG2 THR A 74 -2.566 4.335 4.786 1.00 45.31 C ATOM 0 H THR A 74 0.110 3.748 5.186 1.00 1.31 H new ATOM 0 HA THR A 74 -0.732 6.336 4.484 1.00 50.22 H new ATOM 0 HB THR A 74 -2.527 5.967 6.169 1.00 75.12 H new ATOM 0 HG1 THR A 74 -1.314 3.431 6.735 1.00 73.02 H new ATOM 0 HG21 THR A 74 -3.500 3.924 5.168 1.00 45.31 H new ATOM 0 HG22 THR A 74 -2.776 4.984 3.936 1.00 45.31 H new ATOM 0 HG23 THR A 74 -1.914 3.521 4.468 1.00 45.31 H new ATOM 1239 N GLU A 75 0.658 6.055 7.494 1.00 12.10 N ATOM 1240 CA GLU A 75 1.230 6.829 8.608 1.00 70.03 C ATOM 1241 C GLU A 75 2.466 7.641 8.171 1.00 62.33 C ATOM 1242 O GLU A 75 2.928 8.524 8.899 1.00 51.25 O ATOM 1243 CB GLU A 75 1.561 5.906 9.803 1.00 75.44 C ATOM 1244 CG GLU A 75 2.710 4.918 9.573 1.00 70.24 C ATOM 1245 CD GLU A 75 4.022 5.359 10.204 1.00 63.45 C ATOM 1246 OE1 GLU A 75 4.032 5.649 11.417 1.00 24.24 O ATOM 1247 OE2 GLU A 75 5.047 5.427 9.496 1.00 74.24 O ATOM 0 H GLU A 75 0.780 5.046 7.576 1.00 12.10 H new ATOM 0 HA GLU A 75 0.475 7.547 8.929 1.00 70.03 H new ATOM 0 HB2 GLU A 75 1.806 6.528 10.664 1.00 75.44 H new ATOM 0 HB3 GLU A 75 0.666 5.341 10.063 1.00 75.44 H new ATOM 0 HG2 GLU A 75 2.430 3.946 9.978 1.00 70.24 H new ATOM 0 HG3 GLU A 75 2.857 4.787 8.501 1.00 70.24 H new ATOM 1254 N LYS A 76 3.004 7.335 6.985 1.00 14.33 N ATOM 1255 CA LYS A 76 4.060 8.160 6.376 1.00 75.32 C ATOM 1256 C LYS A 76 3.466 9.323 5.556 1.00 42.41 C ATOM 1257 O LYS A 76 4.127 10.340 5.341 1.00 53.42 O ATOM 1258 CB LYS A 76 4.973 7.311 5.474 1.00 24.42 C ATOM 1259 CG LYS A 76 5.845 6.307 6.225 1.00 72.44 C ATOM 1260 CD LYS A 76 6.778 6.992 7.226 1.00 34.31 C ATOM 1261 CE LYS A 76 7.744 5.999 7.863 1.00 11.45 C ATOM 1262 NZ LYS A 76 8.636 6.644 8.864 1.00 51.31 N ATOM 0 H LYS A 76 2.729 6.526 6.428 1.00 14.33 H new ATOM 0 HA LYS A 76 4.651 8.575 7.193 1.00 75.32 H new ATOM 0 HB2 LYS A 76 4.355 6.771 4.757 1.00 24.42 H new ATOM 0 HB3 LYS A 76 5.618 7.977 4.901 1.00 24.42 H new ATOM 0 HG2 LYS A 76 5.208 5.596 6.751 1.00 72.44 H new ATOM 0 HG3 LYS A 76 6.437 5.736 5.510 1.00 72.44 H new ATOM 0 HD2 LYS A 76 7.342 7.776 6.721 1.00 34.31 H new ATOM 0 HD3 LYS A 76 6.187 7.475 8.004 1.00 34.31 H new ATOM 0 HE2 LYS A 76 7.178 5.202 8.344 1.00 11.45 H new ATOM 0 HE3 LYS A 76 8.350 5.535 7.085 1.00 11.45 H new ATOM 0 HZ1 LYS A 76 9.563 6.172 8.859 1.00 51.31 H new ATOM 0 HZ2 LYS A 76 8.758 7.649 8.624 1.00 51.31 H new ATOM 0 HZ3 LYS A 76 8.212 6.563 9.810 1.00 51.31 H new ATOM 1276 N GLY A 77 2.219 9.170 5.103 1.00 41.22 N ATOM 1277 CA GLY A 77 1.566 10.233 4.331 1.00 4.45 C ATOM 1278 C GLY A 77 0.713 9.729 3.167 1.00 52.25 C ATOM 1279 O GLY A 77 -0.004 10.507 2.535 1.00 42.12 O ATOM 0 H GLY A 77 1.649 8.337 5.253 1.00 41.22 H new ATOM 0 HA2 GLY A 77 0.937 10.819 5.001 1.00 4.45 H new ATOM 0 HA3 GLY A 77 2.330 10.906 3.942 1.00 4.45 H new ATOM 1283 N GLY A 78 0.792 8.435 2.870 1.00 11.53 N ATOM 1284 CA GLY A 78 0.015 7.858 1.774 1.00 11.12 C ATOM 1285 C GLY A 78 0.862 7.530 0.551 1.00 0.44 C ATOM 1286 O GLY A 78 1.993 8.006 0.428 1.00 23.43 O ATOM 0 H GLY A 78 1.382 7.769 3.368 1.00 11.53 H new ATOM 0 HA2 GLY A 78 -0.476 6.950 2.123 1.00 11.12 H new ATOM 0 HA3 GLY A 78 -0.772 8.556 1.487 1.00 11.12 H new ATOM 1290 N LEU A 79 0.307 6.728 -0.363 1.00 73.25 N ATOM 1291 CA LEU A 79 1.034 6.255 -1.554 1.00 11.11 C ATOM 1292 C LEU A 79 1.824 7.380 -2.244 1.00 75.31 C ATOM 1293 O LEU A 79 3.047 7.295 -2.388 1.00 34.43 O ATOM 1294 CB LEU A 79 0.050 5.625 -2.552 1.00 40.43 C ATOM 1295 CG LEU A 79 0.666 5.122 -3.873 1.00 41.41 C ATOM 1296 CD1 LEU A 79 1.759 4.085 -3.611 1.00 31.21 C ATOM 1297 CD2 LEU A 79 -0.416 4.545 -4.788 1.00 1.20 C ATOM 0 H LEU A 79 -0.653 6.388 -0.303 1.00 73.25 H new ATOM 0 HA LEU A 79 1.754 5.509 -1.218 1.00 11.11 H new ATOM 0 HB2 LEU A 79 -0.448 4.788 -2.063 1.00 40.43 H new ATOM 0 HB3 LEU A 79 -0.719 6.360 -2.788 1.00 40.43 H new ATOM 0 HG LEU A 79 1.124 5.974 -4.376 1.00 41.41 H new ATOM 0 HD11 LEU A 79 2.176 3.748 -4.560 1.00 31.21 H new ATOM 0 HD12 LEU A 79 2.548 4.533 -3.007 1.00 31.21 H new ATOM 0 HD13 LEU A 79 1.333 3.234 -3.079 1.00 31.21 H new ATOM 0 HD21 LEU A 79 0.039 4.196 -5.715 1.00 1.20 H new ATOM 0 HD22 LEU A 79 -0.908 3.710 -4.288 1.00 1.20 H new ATOM 0 HD23 LEU A 79 -1.151 5.317 -5.014 1.00 1.20 H new ATOM 1309 N VAL A 80 1.122 8.434 -2.651 1.00 12.00 N ATOM 1310 CA VAL A 80 1.748 9.550 -3.376 1.00 43.44 C ATOM 1311 C VAL A 80 2.916 10.167 -2.593 1.00 43.33 C ATOM 1312 O VAL A 80 4.016 10.309 -3.124 1.00 24.15 O ATOM 1313 CB VAL A 80 0.717 10.660 -3.706 1.00 70.31 C ATOM 1314 CG1 VAL A 80 1.374 11.807 -4.479 1.00 52.21 C ATOM 1315 CG2 VAL A 80 -0.455 10.082 -4.490 1.00 3.11 C ATOM 0 H VAL A 80 0.120 8.544 -2.494 1.00 12.00 H new ATOM 0 HA VAL A 80 2.135 9.129 -4.304 1.00 43.44 H new ATOM 0 HB VAL A 80 0.339 11.063 -2.767 1.00 70.31 H new ATOM 0 HG11 VAL A 80 0.629 12.572 -4.698 1.00 52.21 H new ATOM 0 HG12 VAL A 80 2.173 12.240 -3.878 1.00 52.21 H new ATOM 0 HG13 VAL A 80 1.788 11.426 -5.413 1.00 52.21 H new ATOM 0 HG21 VAL A 80 -1.169 10.874 -4.713 1.00 3.11 H new ATOM 0 HG22 VAL A 80 -0.091 9.648 -5.421 1.00 3.11 H new ATOM 0 HG23 VAL A 80 -0.944 9.309 -3.897 1.00 3.11 H new ATOM 1325 N GLU A 81 2.683 10.515 -1.328 1.00 72.34 N ATOM 1326 CA GLU A 81 3.711 11.175 -0.516 1.00 61.45 C ATOM 1327 C GLU A 81 4.935 10.264 -0.311 1.00 64.20 C ATOM 1328 O GLU A 81 6.081 10.723 -0.334 1.00 62.35 O ATOM 1329 CB GLU A 81 3.138 11.601 0.843 1.00 62.34 C ATOM 1330 CG GLU A 81 4.028 12.586 1.604 1.00 13.12 C ATOM 1331 CD GLU A 81 4.035 13.978 0.980 1.00 34.53 C ATOM 1332 OE1 GLU A 81 4.581 14.144 -0.134 1.00 1.15 O ATOM 1333 OE2 GLU A 81 3.476 14.913 1.592 1.00 21.42 O ATOM 0 H GLU A 81 1.800 10.354 -0.844 1.00 72.34 H new ATOM 0 HA GLU A 81 4.036 12.064 -1.057 1.00 61.45 H new ATOM 0 HB2 GLU A 81 2.159 12.054 0.689 1.00 62.34 H new ATOM 0 HB3 GLU A 81 2.985 10.714 1.457 1.00 62.34 H new ATOM 0 HG2 GLU A 81 3.684 12.657 2.636 1.00 13.12 H new ATOM 0 HG3 GLU A 81 5.047 12.200 1.633 1.00 13.12 H new ATOM 1340 N VAL A 82 4.688 8.970 -0.120 1.00 13.30 N ATOM 1341 CA VAL A 82 5.771 7.994 0.018 1.00 14.32 C ATOM 1342 C VAL A 82 6.614 7.922 -1.268 1.00 2.11 C ATOM 1343 O VAL A 82 7.841 7.807 -1.217 1.00 72.33 O ATOM 1344 CB VAL A 82 5.229 6.586 0.378 1.00 73.52 C ATOM 1345 CG1 VAL A 82 6.355 5.554 0.452 1.00 72.02 C ATOM 1346 CG2 VAL A 82 4.463 6.628 1.698 1.00 35.12 C ATOM 0 H VAL A 82 3.751 8.572 -0.057 1.00 13.30 H new ATOM 0 HA VAL A 82 6.406 8.332 0.837 1.00 14.32 H new ATOM 0 HB VAL A 82 4.547 6.282 -0.417 1.00 73.52 H new ATOM 0 HG11 VAL A 82 5.939 4.579 0.706 1.00 72.02 H new ATOM 0 HG12 VAL A 82 6.857 5.494 -0.514 1.00 72.02 H new ATOM 0 HG13 VAL A 82 7.073 5.853 1.216 1.00 72.02 H new ATOM 0 HG21 VAL A 82 4.090 5.631 1.934 1.00 35.12 H new ATOM 0 HG22 VAL A 82 5.127 6.965 2.494 1.00 35.12 H new ATOM 0 HG23 VAL A 82 3.624 7.318 1.610 1.00 35.12 H new ATOM 1356 N ILE A 83 5.947 8.011 -2.420 1.00 33.22 N ATOM 1357 CA ILE A 83 6.635 8.063 -3.713 1.00 12.15 C ATOM 1358 C ILE A 83 7.410 9.388 -3.867 1.00 73.21 C ATOM 1359 O ILE A 83 8.516 9.417 -4.412 1.00 40.23 O ATOM 1360 CB ILE A 83 5.634 7.906 -4.889 1.00 73.12 C ATOM 1361 CG1 ILE A 83 4.855 6.584 -4.765 1.00 62.14 C ATOM 1362 CG2 ILE A 83 6.360 7.975 -6.232 1.00 55.41 C ATOM 1363 CD1 ILE A 83 3.772 6.410 -5.813 1.00 21.11 C ATOM 0 H ILE A 83 4.930 8.049 -2.485 1.00 33.22 H new ATOM 0 HA ILE A 83 7.339 7.232 -3.742 1.00 12.15 H new ATOM 0 HB ILE A 83 4.923 8.731 -4.842 1.00 73.12 H new ATOM 0 HG12 ILE A 83 5.556 5.752 -4.839 1.00 62.14 H new ATOM 0 HG13 ILE A 83 4.401 6.532 -3.775 1.00 62.14 H new ATOM 0 HG21 ILE A 83 5.639 7.863 -7.042 1.00 55.41 H new ATOM 0 HG22 ILE A 83 6.863 8.938 -6.325 1.00 55.41 H new ATOM 0 HG23 ILE A 83 7.097 7.174 -6.289 1.00 55.41 H new ATOM 0 HD11 ILE A 83 3.268 5.456 -5.660 1.00 21.11 H new ATOM 0 HD12 ILE A 83 3.048 7.221 -5.726 1.00 21.11 H new ATOM 0 HD13 ILE A 83 4.221 6.429 -6.806 1.00 21.11 H new ATOM 1375 N ASN A 84 6.817 10.480 -3.373 1.00 53.31 N ATOM 1376 CA ASN A 84 7.461 11.804 -3.385 1.00 55.15 C ATOM 1377 C ASN A 84 8.770 11.809 -2.580 1.00 71.41 C ATOM 1378 O ASN A 84 9.776 12.370 -3.018 1.00 61.34 O ATOM 1379 CB ASN A 84 6.516 12.868 -2.809 1.00 41.11 C ATOM 1380 CG ASN A 84 5.305 13.127 -3.682 1.00 4.50 C ATOM 1381 OD1 ASN A 84 5.372 13.043 -4.904 1.00 23.44 O ATOM 1382 ND2 ASN A 84 4.189 13.452 -3.064 1.00 15.22 N ATOM 0 H ASN A 84 5.886 10.475 -2.957 1.00 53.31 H new ATOM 0 HA ASN A 84 7.692 12.037 -4.425 1.00 55.15 H new ATOM 0 HB2 ASN A 84 6.182 12.551 -1.821 1.00 41.11 H new ATOM 0 HB3 ASN A 84 7.066 13.800 -2.676 1.00 41.11 H new ATOM 0 HD21 ASN A 84 3.344 13.643 -3.603 1.00 15.22 H new ATOM 0 HD22 ASN A 84 4.169 13.513 -2.046 1.00 15.22 H new ATOM 1389 N LYS A 85 8.749 11.198 -1.394 1.00 51.13 N ATOM 1390 CA LYS A 85 9.923 11.186 -0.507 1.00 1.54 C ATOM 1391 C LYS A 85 10.785 9.921 -0.688 1.00 43.43 C ATOM 1392 O LYS A 85 11.848 9.799 -0.077 1.00 74.10 O ATOM 1393 CB LYS A 85 9.480 11.331 0.958 1.00 42.43 C ATOM 1394 CG LYS A 85 8.596 12.551 1.209 1.00 74.24 C ATOM 1395 CD LYS A 85 8.415 12.844 2.696 1.00 62.24 C ATOM 1396 CE LYS A 85 9.723 13.276 3.355 1.00 23.14 C ATOM 1397 NZ LYS A 85 9.515 13.736 4.752 1.00 62.23 N ATOM 0 H LYS A 85 7.937 10.705 -1.023 1.00 51.13 H new ATOM 0 HA LYS A 85 10.547 12.036 -0.783 1.00 1.54 H new ATOM 0 HB2 LYS A 85 8.939 10.433 1.256 1.00 42.43 H new ATOM 0 HB3 LYS A 85 10.364 11.396 1.592 1.00 42.43 H new ATOM 0 HG2 LYS A 85 9.036 13.421 0.721 1.00 74.24 H new ATOM 0 HG3 LYS A 85 7.620 12.389 0.752 1.00 74.24 H new ATOM 0 HD2 LYS A 85 7.668 13.628 2.823 1.00 62.24 H new ATOM 0 HD3 LYS A 85 8.032 11.955 3.197 1.00 62.24 H new ATOM 0 HE2 LYS A 85 10.425 12.442 3.348 1.00 23.14 H new ATOM 0 HE3 LYS A 85 10.175 14.079 2.772 1.00 23.14 H new ATOM 0 HZ1 LYS A 85 10.427 14.020 5.163 1.00 62.23 H new ATOM 0 HZ2 LYS A 85 8.865 14.548 4.757 1.00 62.23 H new ATOM 0 HZ3 LYS A 85 9.107 12.962 5.315 1.00 62.23 H new ATOM 1411 N LYS A 86 10.318 8.986 -1.524 1.00 42.33 N ATOM 1412 CA LYS A 86 11.072 7.757 -1.866 1.00 11.10 C ATOM 1413 C LYS A 86 11.433 6.905 -0.629 1.00 43.15 C ATOM 1414 O LYS A 86 12.260 5.997 -0.722 1.00 41.22 O ATOM 1415 CB LYS A 86 12.370 8.091 -2.639 1.00 4.51 C ATOM 1416 CG LYS A 86 12.164 8.728 -4.016 1.00 64.02 C ATOM 1417 CD LYS A 86 11.815 10.213 -3.920 1.00 25.54 C ATOM 1418 CE LYS A 86 11.705 10.865 -5.295 1.00 63.13 C ATOM 1419 NZ LYS A 86 12.972 10.757 -6.067 1.00 42.21 N ATOM 0 H LYS A 86 9.411 9.052 -1.985 1.00 42.33 H new ATOM 0 HA LYS A 86 10.403 7.171 -2.497 1.00 11.10 H new ATOM 0 HB2 LYS A 86 12.972 8.766 -2.031 1.00 4.51 H new ATOM 0 HB3 LYS A 86 12.946 7.174 -2.763 1.00 4.51 H new ATOM 0 HG2 LYS A 86 13.070 8.607 -4.609 1.00 64.02 H new ATOM 0 HG3 LYS A 86 11.367 8.203 -4.542 1.00 64.02 H new ATOM 0 HD2 LYS A 86 10.871 10.330 -3.387 1.00 25.54 H new ATOM 0 HD3 LYS A 86 12.577 10.727 -3.335 1.00 25.54 H new ATOM 0 HE2 LYS A 86 10.898 10.394 -5.856 1.00 63.13 H new ATOM 0 HE3 LYS A 86 11.441 11.916 -5.178 1.00 63.13 H new ATOM 0 HZ1 LYS A 86 13.252 11.699 -6.408 1.00 42.21 H new ATOM 0 HZ2 LYS A 86 13.720 10.374 -5.454 1.00 42.21 H new ATOM 0 HZ3 LYS A 86 12.831 10.123 -6.879 1.00 42.21 H new ATOM 1433 N LEU A 87 10.790 7.155 0.510 1.00 14.45 N ATOM 1434 CA LEU A 87 11.191 6.507 1.773 1.00 64.15 C ATOM 1435 C LEU A 87 10.587 5.093 1.935 1.00 74.43 C ATOM 1436 O LEU A 87 10.320 4.645 3.050 1.00 31.35 O ATOM 1437 CB LEU A 87 10.830 7.401 2.985 1.00 3.45 C ATOM 1438 CG LEU A 87 9.353 7.416 3.434 1.00 12.43 C ATOM 1439 CD1 LEU A 87 9.171 8.332 4.641 1.00 15.15 C ATOM 1440 CD2 LEU A 87 8.423 7.841 2.302 1.00 4.10 C ATOM 0 H LEU A 87 9.998 7.792 0.593 1.00 14.45 H new ATOM 0 HA LEU A 87 12.273 6.384 1.735 1.00 64.15 H new ATOM 0 HB2 LEU A 87 11.438 7.083 3.832 1.00 3.45 H new ATOM 0 HB3 LEU A 87 11.122 8.424 2.749 1.00 3.45 H new ATOM 0 HG LEU A 87 9.086 6.398 3.718 1.00 12.43 H new ATOM 0 HD11 LEU A 87 8.124 8.331 4.944 1.00 15.15 H new ATOM 0 HD12 LEU A 87 9.788 7.974 5.465 1.00 15.15 H new ATOM 0 HD13 LEU A 87 9.471 9.346 4.377 1.00 15.15 H new ATOM 0 HD21 LEU A 87 7.393 7.839 2.657 1.00 4.10 H new ATOM 0 HD22 LEU A 87 8.690 8.844 1.969 1.00 4.10 H new ATOM 0 HD23 LEU A 87 8.521 7.144 1.470 1.00 4.10 H new ATOM 1452 N TRP A 88 10.421 4.370 0.825 1.00 74.31 N ATOM 1453 CA TRP A 88 9.890 2.994 0.858 1.00 3.44 C ATOM 1454 C TRP A 88 10.731 2.064 1.751 1.00 21.30 C ATOM 1455 O TRP A 88 10.226 1.069 2.265 1.00 41.13 O ATOM 1456 CB TRP A 88 9.798 2.414 -0.559 1.00 54.10 C ATOM 1457 CG TRP A 88 8.679 2.991 -1.380 1.00 65.22 C ATOM 1458 CD1 TRP A 88 8.761 3.990 -2.311 1.00 23.51 C ATOM 1459 CD2 TRP A 88 7.304 2.589 -1.342 1.00 45.13 C ATOM 1460 NE1 TRP A 88 7.520 4.237 -2.844 1.00 75.14 N ATOM 1461 CE2 TRP A 88 6.610 3.388 -2.267 1.00 11.31 C ATOM 1462 CE3 TRP A 88 6.592 1.629 -0.612 1.00 31.30 C ATOM 1463 CZ2 TRP A 88 5.240 3.258 -2.484 1.00 1.44 C ATOM 1464 CZ3 TRP A 88 5.233 1.502 -0.828 1.00 11.41 C ATOM 1465 CH2 TRP A 88 4.569 2.312 -1.757 1.00 5.24 C ATOM 0 H TRP A 88 10.645 4.709 -0.110 1.00 74.31 H new ATOM 0 HA TRP A 88 8.891 3.053 1.290 1.00 3.44 H new ATOM 0 HB2 TRP A 88 10.742 2.589 -1.075 1.00 54.10 H new ATOM 0 HB3 TRP A 88 9.667 1.334 -0.492 1.00 54.10 H new ATOM 0 HD1 TRP A 88 9.668 4.508 -2.586 1.00 23.51 H new ATOM 0 HE1 TRP A 88 7.309 4.938 -3.554 1.00 75.14 H new ATOM 0 HE3 TRP A 88 7.096 1.000 0.107 1.00 31.30 H new ATOM 0 HZ2 TRP A 88 4.726 3.881 -3.200 1.00 1.44 H new ATOM 0 HZ3 TRP A 88 4.674 0.765 -0.271 1.00 11.41 H new ATOM 0 HH2 TRP A 88 3.506 2.188 -1.903 1.00 5.24 H new ATOM 1476 N ARG A 89 12.010 2.389 1.932 1.00 11.15 N ATOM 1477 CA ARG A 89 12.879 1.637 2.852 1.00 45.25 C ATOM 1478 C ARG A 89 12.321 1.659 4.290 1.00 70.33 C ATOM 1479 O ARG A 89 12.506 0.714 5.056 1.00 71.45 O ATOM 1480 CB ARG A 89 14.300 2.213 2.824 1.00 42.34 C ATOM 1481 CG ARG A 89 14.370 3.682 3.224 1.00 21.44 C ATOM 1482 CD ARG A 89 15.765 4.260 3.022 1.00 74.32 C ATOM 1483 NE ARG A 89 15.832 5.661 3.429 1.00 65.52 N ATOM 1484 CZ ARG A 89 15.931 6.666 2.604 1.00 63.11 C ATOM 1485 NH1 ARG A 89 16.022 6.465 1.327 1.00 61.21 N ATOM 1486 NH2 ARG A 89 15.950 7.873 3.064 1.00 0.02 N ATOM 0 H ARG A 89 12.472 3.165 1.458 1.00 11.15 H new ATOM 0 HA ARG A 89 12.908 0.599 2.519 1.00 45.25 H new ATOM 0 HB2 ARG A 89 14.932 1.632 3.495 1.00 42.34 H new ATOM 0 HB3 ARG A 89 14.710 2.098 1.821 1.00 42.34 H new ATOM 0 HG2 ARG A 89 13.652 4.253 2.636 1.00 21.44 H new ATOM 0 HG3 ARG A 89 14.081 3.788 4.270 1.00 21.44 H new ATOM 0 HD2 ARG A 89 16.487 3.679 3.596 1.00 74.32 H new ATOM 0 HD3 ARG A 89 16.047 4.172 1.973 1.00 74.32 H new ATOM 0 HE ARG A 89 15.799 5.868 4.427 1.00 65.52 H new ATOM 0 HH11 ARG A 89 16.017 5.514 0.959 1.00 61.21 H new ATOM 0 HH12 ARG A 89 16.099 7.258 0.690 1.00 61.21 H new ATOM 0 HH21 ARG A 89 15.888 8.037 4.069 1.00 0.02 H new ATOM 0 HH22 ARG A 89 16.027 8.662 2.422 1.00 0.02 H new ATOM 1500 N GLU A 90 11.641 2.753 4.642 1.00 34.34 N ATOM 1501 CA GLU A 90 10.924 2.855 5.920 1.00 15.21 C ATOM 1502 C GLU A 90 9.802 1.813 5.992 1.00 22.30 C ATOM 1503 O GLU A 90 9.544 1.226 7.045 1.00 25.33 O ATOM 1504 CB GLU A 90 10.322 4.258 6.082 1.00 64.12 C ATOM 1505 CG GLU A 90 11.337 5.346 6.405 1.00 45.51 C ATOM 1506 CD GLU A 90 11.891 5.207 7.812 1.00 23.32 C ATOM 1507 OE1 GLU A 90 11.095 5.308 8.775 1.00 62.33 O ATOM 1508 OE2 GLU A 90 13.113 5.011 7.963 1.00 5.00 O ATOM 0 H GLU A 90 11.571 3.586 4.058 1.00 34.34 H new ATOM 0 HA GLU A 90 11.637 2.671 6.724 1.00 15.21 H new ATOM 0 HB2 GLU A 90 9.802 4.525 5.162 1.00 64.12 H new ATOM 0 HB3 GLU A 90 9.574 4.230 6.874 1.00 64.12 H new ATOM 0 HG2 GLU A 90 12.156 5.303 5.687 1.00 45.51 H new ATOM 0 HG3 GLU A 90 10.868 6.324 6.295 1.00 45.51 H new ATOM 1515 N ILE A 91 9.147 1.599 4.855 1.00 73.45 N ATOM 1516 CA ILE A 91 8.048 0.640 4.755 1.00 45.03 C ATOM 1517 C ILE A 91 8.575 -0.802 4.834 1.00 24.34 C ATOM 1518 O ILE A 91 8.074 -1.617 5.609 1.00 11.42 O ATOM 1519 CB ILE A 91 7.256 0.831 3.433 1.00 33.45 C ATOM 1520 CG1 ILE A 91 6.908 2.318 3.214 1.00 60.22 C ATOM 1521 CG2 ILE A 91 5.990 -0.024 3.437 1.00 71.01 C ATOM 1522 CD1 ILE A 91 6.121 2.946 4.345 1.00 51.10 C ATOM 0 H ILE A 91 9.360 2.081 3.982 1.00 73.45 H new ATOM 0 HA ILE A 91 7.377 0.823 5.595 1.00 45.03 H new ATOM 0 HB ILE A 91 7.888 0.505 2.607 1.00 33.45 H new ATOM 0 HG12 ILE A 91 7.832 2.879 3.075 1.00 60.22 H new ATOM 0 HG13 ILE A 91 6.335 2.413 2.292 1.00 60.22 H new ATOM 0 HG21 ILE A 91 5.448 0.123 2.503 1.00 71.01 H new ATOM 0 HG22 ILE A 91 6.261 -1.075 3.537 1.00 71.01 H new ATOM 0 HG23 ILE A 91 5.356 0.269 4.274 1.00 71.01 H new ATOM 0 HD11 ILE A 91 5.918 3.991 4.111 1.00 51.10 H new ATOM 0 HD12 ILE A 91 5.179 2.413 4.472 1.00 51.10 H new ATOM 0 HD13 ILE A 91 6.699 2.886 5.267 1.00 51.10 H new ATOM 1534 N THR A 92 9.605 -1.101 4.037 1.00 53.20 N ATOM 1535 CA THR A 92 10.246 -2.427 4.049 1.00 41.41 C ATOM 1536 C THR A 92 10.765 -2.782 5.443 1.00 42.40 C ATOM 1537 O THR A 92 10.502 -3.871 5.953 1.00 2.54 O ATOM 1538 CB THR A 92 11.433 -2.519 3.055 1.00 33.12 C ATOM 1539 OG1 THR A 92 12.371 -1.464 3.304 1.00 43.50 O ATOM 1540 CG2 THR A 92 10.959 -2.455 1.609 1.00 74.12 C ATOM 0 H THR A 92 10.016 -0.444 3.373 1.00 53.20 H new ATOM 0 HA THR A 92 9.472 -3.131 3.745 1.00 41.41 H new ATOM 0 HB THR A 92 11.919 -3.482 3.210 1.00 33.12 H new ATOM 0 HG1 THR A 92 13.092 -1.504 2.642 1.00 43.50 H new ATOM 0 HG21 THR A 92 11.818 -2.522 0.941 1.00 74.12 H new ATOM 0 HG22 THR A 92 10.280 -3.285 1.412 1.00 74.12 H new ATOM 0 HG23 THR A 92 10.439 -1.512 1.438 1.00 74.12 H new ATOM 1548 N LYS A 93 11.497 -1.855 6.062 1.00 54.22 N ATOM 1549 CA LYS A 93 12.061 -2.084 7.397 1.00 44.41 C ATOM 1550 C LYS A 93 10.950 -2.368 8.424 1.00 1.20 C ATOM 1551 O LYS A 93 11.124 -3.188 9.330 1.00 22.01 O ATOM 1552 CB LYS A 93 12.903 -0.875 7.840 1.00 64.04 C ATOM 1553 CG LYS A 93 13.904 -1.189 8.953 1.00 62.13 C ATOM 1554 CD LYS A 93 14.949 -2.210 8.495 1.00 4.43 C ATOM 1555 CE LYS A 93 15.998 -2.492 9.569 1.00 40.02 C ATOM 1556 NZ LYS A 93 15.403 -3.086 10.798 1.00 5.50 N ATOM 0 H LYS A 93 11.714 -0.941 5.664 1.00 54.22 H new ATOM 0 HA LYS A 93 12.707 -2.960 7.345 1.00 44.41 H new ATOM 0 HB2 LYS A 93 13.444 -0.486 6.977 1.00 64.04 H new ATOM 0 HB3 LYS A 93 12.234 -0.084 8.179 1.00 64.04 H new ATOM 0 HG2 LYS A 93 14.403 -0.271 9.265 1.00 62.13 H new ATOM 0 HG3 LYS A 93 13.373 -1.575 9.823 1.00 62.13 H new ATOM 0 HD2 LYS A 93 14.450 -3.141 8.225 1.00 4.43 H new ATOM 0 HD3 LYS A 93 15.443 -1.842 7.596 1.00 4.43 H new ATOM 0 HE2 LYS A 93 16.752 -3.170 9.169 1.00 40.02 H new ATOM 0 HE3 LYS A 93 16.509 -1.564 9.827 1.00 40.02 H new ATOM 0 HZ1 LYS A 93 16.163 -3.369 11.450 1.00 5.50 H new ATOM 0 HZ2 LYS A 93 14.792 -2.384 11.262 1.00 5.50 H new ATOM 0 HZ3 LYS A 93 14.838 -3.921 10.542 1.00 5.50 H new ATOM 1570 N GLY A 94 9.804 -1.701 8.262 1.00 51.30 N ATOM 1571 CA GLY A 94 8.647 -1.955 9.119 1.00 5.10 C ATOM 1572 C GLY A 94 8.034 -3.338 8.895 1.00 34.30 C ATOM 1573 O GLY A 94 7.313 -3.857 9.749 1.00 60.22 O ATOM 0 H GLY A 94 9.655 -0.986 7.550 1.00 51.30 H new ATOM 0 HA2 GLY A 94 8.946 -1.860 10.163 1.00 5.10 H new ATOM 0 HA3 GLY A 94 7.890 -1.193 8.934 1.00 5.10 H new ATOM 1577 N LEU A 95 8.313 -3.926 7.732 1.00 63.21 N ATOM 1578 CA LEU A 95 7.875 -5.289 7.414 1.00 31.14 C ATOM 1579 C LEU A 95 9.022 -6.290 7.642 1.00 2.33 C ATOM 1580 O LEU A 95 8.941 -7.449 7.231 1.00 61.24 O ATOM 1581 CB LEU A 95 7.397 -5.362 5.953 1.00 62.41 C ATOM 1582 CG LEU A 95 6.349 -4.312 5.544 1.00 23.23 C ATOM 1583 CD1 LEU A 95 5.967 -4.476 4.078 1.00 14.43 C ATOM 1584 CD2 LEU A 95 5.115 -4.397 6.435 1.00 60.10 C ATOM 0 H LEU A 95 8.845 -3.477 6.987 1.00 63.21 H new ATOM 0 HA LEU A 95 7.048 -5.550 8.074 1.00 31.14 H new ATOM 0 HB2 LEU A 95 8.264 -5.258 5.300 1.00 62.41 H new ATOM 0 HB3 LEU A 95 6.981 -6.353 5.775 1.00 62.41 H new ATOM 0 HG LEU A 95 6.792 -3.325 5.675 1.00 23.23 H new ATOM 0 HD11 LEU A 95 5.225 -3.724 3.809 1.00 14.43 H new ATOM 0 HD12 LEU A 95 6.853 -4.351 3.455 1.00 14.43 H new ATOM 0 HD13 LEU A 95 5.550 -5.470 3.920 1.00 14.43 H new ATOM 0 HD21 LEU A 95 4.390 -3.645 6.125 1.00 60.10 H new ATOM 0 HD22 LEU A 95 4.670 -5.388 6.346 1.00 60.10 H new ATOM 0 HD23 LEU A 95 5.402 -4.219 7.472 1.00 60.10 H new ATOM 1596 N ASN A 96 10.091 -5.821 8.298 1.00 71.41 N ATOM 1597 CA ASN A 96 11.276 -6.645 8.593 1.00 33.52 C ATOM 1598 C ASN A 96 11.989 -7.091 7.296 1.00 72.20 C ATOM 1599 O ASN A 96 12.708 -8.092 7.270 1.00 3.30 O ATOM 1600 CB ASN A 96 10.875 -7.857 9.455 1.00 14.35 C ATOM 1601 CG ASN A 96 12.059 -8.557 10.106 1.00 13.22 C ATOM 1602 OD1 ASN A 96 12.044 -9.769 10.305 1.00 21.21 O ATOM 1603 ND2 ASN A 96 13.085 -7.807 10.466 1.00 41.21 N ATOM 0 H ASN A 96 10.161 -4.862 8.640 1.00 71.41 H new ATOM 0 HA ASN A 96 11.985 -6.039 9.157 1.00 33.52 H new ATOM 0 HB2 ASN A 96 10.185 -7.528 10.232 1.00 14.35 H new ATOM 0 HB3 ASN A 96 10.337 -8.573 8.834 1.00 14.35 H new ATOM 0 HD21 ASN A 96 13.892 -8.232 10.922 1.00 41.21 H new ATOM 0 HD22 ASN A 96 13.070 -6.803 10.288 1.00 41.21 H new ATOM 1610 N LEU A 97 11.797 -6.316 6.229 1.00 14.15 N ATOM 1611 CA LEU A 97 12.431 -6.582 4.932 1.00 15.34 C ATOM 1612 C LEU A 97 13.766 -5.822 4.804 1.00 54.51 C ATOM 1613 O LEU A 97 13.889 -4.691 5.276 1.00 62.25 O ATOM 1614 CB LEU A 97 11.492 -6.162 3.788 1.00 10.33 C ATOM 1615 CG LEU A 97 10.068 -6.732 3.852 1.00 45.35 C ATOM 1616 CD1 LEU A 97 9.230 -6.217 2.683 1.00 2.13 C ATOM 1617 CD2 LEU A 97 10.093 -8.258 3.877 1.00 71.12 C ATOM 0 H LEU A 97 11.201 -5.489 6.236 1.00 14.15 H new ATOM 0 HA LEU A 97 12.630 -7.652 4.868 1.00 15.34 H new ATOM 0 HB2 LEU A 97 11.428 -5.074 3.776 1.00 10.33 H new ATOM 0 HB3 LEU A 97 11.943 -6.465 2.843 1.00 10.33 H new ATOM 0 HG LEU A 97 9.605 -6.391 4.778 1.00 45.35 H new ATOM 0 HD11 LEU A 97 8.224 -6.632 2.746 1.00 2.13 H new ATOM 0 HD12 LEU A 97 9.177 -5.129 2.725 1.00 2.13 H new ATOM 0 HD13 LEU A 97 9.690 -6.522 1.743 1.00 2.13 H new ATOM 0 HD21 LEU A 97 9.072 -8.638 3.922 1.00 71.12 H new ATOM 0 HD22 LEU A 97 10.578 -8.629 2.974 1.00 71.12 H new ATOM 0 HD23 LEU A 97 10.646 -8.599 4.752 1.00 71.12 H new ATOM 1629 N PRO A 98 14.778 -6.428 4.155 1.00 52.05 N ATOM 1630 CA PRO A 98 16.093 -5.795 3.968 1.00 1.05 C ATOM 1631 C PRO A 98 16.123 -4.792 2.794 1.00 24.00 C ATOM 1632 O PRO A 98 15.706 -5.109 1.677 1.00 45.41 O ATOM 1633 CB PRO A 98 17.002 -6.996 3.677 1.00 72.23 C ATOM 1634 CG PRO A 98 16.114 -7.978 2.986 1.00 21.20 C ATOM 1635 CD PRO A 98 14.727 -7.778 3.558 1.00 23.55 C ATOM 0 HA PRO A 98 16.389 -5.202 4.833 1.00 1.05 H new ATOM 0 HB2 PRO A 98 17.845 -6.712 3.048 1.00 72.23 H new ATOM 0 HB3 PRO A 98 17.416 -7.413 4.595 1.00 72.23 H new ATOM 0 HG2 PRO A 98 16.117 -7.813 1.909 1.00 21.20 H new ATOM 0 HG3 PRO A 98 16.459 -8.998 3.153 1.00 21.20 H new ATOM 0 HD2 PRO A 98 13.963 -7.843 2.784 1.00 23.55 H new ATOM 0 HD3 PRO A 98 14.490 -8.536 4.305 1.00 23.55 H new ATOM 1643 N THR A 99 16.642 -3.589 3.044 1.00 32.40 N ATOM 1644 CA THR A 99 16.739 -2.548 2.003 1.00 34.33 C ATOM 1645 C THR A 99 17.693 -2.956 0.861 1.00 32.15 C ATOM 1646 O THR A 99 17.774 -2.278 -0.166 1.00 11.31 O ATOM 1647 CB THR A 99 17.196 -1.190 2.597 1.00 45.53 C ATOM 1648 OG1 THR A 99 17.249 -0.178 1.574 1.00 5.44 O ATOM 1649 CG2 THR A 99 18.561 -1.305 3.268 1.00 70.25 C ATOM 0 H THR A 99 17.003 -3.305 3.955 1.00 32.40 H new ATOM 0 HA THR A 99 15.736 -2.436 1.591 1.00 34.33 H new ATOM 0 HB THR A 99 16.462 -0.904 3.350 1.00 45.53 H new ATOM 0 HG1 THR A 99 17.280 -0.605 0.693 1.00 5.44 H new ATOM 0 HG21 THR A 99 18.850 -0.335 3.673 1.00 70.25 H new ATOM 0 HG22 THR A 99 18.509 -2.035 4.076 1.00 70.25 H new ATOM 0 HG23 THR A 99 19.301 -1.627 2.535 1.00 70.25 H new ATOM 1657 N SER A 100 18.406 -4.068 1.051 1.00 12.51 N ATOM 1658 CA SER A 100 19.281 -4.637 0.009 1.00 34.15 C ATOM 1659 C SER A 100 18.495 -4.997 -1.261 1.00 14.12 C ATOM 1660 O SER A 100 19.052 -5.027 -2.362 1.00 3.12 O ATOM 1661 CB SER A 100 19.999 -5.889 0.539 1.00 60.32 C ATOM 1662 OG SER A 100 20.754 -6.534 -0.478 1.00 33.20 O ATOM 0 H SER A 100 18.398 -4.600 1.921 1.00 12.51 H new ATOM 0 HA SER A 100 20.015 -3.874 -0.250 1.00 34.15 H new ATOM 0 HB2 SER A 100 20.659 -5.609 1.360 1.00 60.32 H new ATOM 0 HB3 SER A 100 19.265 -6.585 0.944 1.00 60.32 H new ATOM 0 HG SER A 100 21.198 -7.324 -0.105 1.00 33.20 H new ATOM 1668 N ILE A 101 17.198 -5.271 -1.106 1.00 25.44 N ATOM 1669 CA ILE A 101 16.336 -5.593 -2.247 1.00 61.43 C ATOM 1670 C ILE A 101 16.265 -4.404 -3.223 1.00 41.22 C ATOM 1671 O ILE A 101 15.495 -3.462 -3.030 1.00 70.24 O ATOM 1672 CB ILE A 101 14.906 -5.983 -1.787 1.00 1.13 C ATOM 1673 CG1 ILE A 101 14.968 -7.132 -0.765 1.00 61.10 C ATOM 1674 CG2 ILE A 101 14.044 -6.379 -2.988 1.00 4.34 C ATOM 1675 CD1 ILE A 101 13.622 -7.512 -0.186 1.00 51.32 C ATOM 0 H ILE A 101 16.722 -5.277 -0.204 1.00 25.44 H new ATOM 0 HA ILE A 101 16.775 -6.450 -2.757 1.00 61.43 H new ATOM 0 HB ILE A 101 14.449 -5.117 -1.308 1.00 1.13 H new ATOM 0 HG12 ILE A 101 15.407 -8.007 -1.244 1.00 61.10 H new ATOM 0 HG13 ILE A 101 15.635 -6.846 0.049 1.00 61.10 H new ATOM 0 HG21 ILE A 101 13.045 -6.649 -2.646 1.00 4.34 H new ATOM 0 HG22 ILE A 101 13.976 -5.539 -3.680 1.00 4.34 H new ATOM 0 HG23 ILE A 101 14.496 -7.231 -3.495 1.00 4.34 H new ATOM 0 HD11 ILE A 101 13.749 -8.328 0.525 1.00 51.32 H new ATOM 0 HD12 ILE A 101 13.189 -6.651 0.323 1.00 51.32 H new ATOM 0 HD13 ILE A 101 12.957 -7.831 -0.989 1.00 51.32 H new ATOM 1687 N THR A 102 17.092 -4.460 -4.267 1.00 14.22 N ATOM 1688 CA THR A 102 17.238 -3.355 -5.229 1.00 62.12 C ATOM 1689 C THR A 102 15.896 -2.907 -5.834 1.00 5.11 C ATOM 1690 O THR A 102 15.681 -1.717 -6.076 1.00 41.43 O ATOM 1691 CB THR A 102 18.205 -3.750 -6.376 1.00 73.40 C ATOM 1692 OG1 THR A 102 19.478 -4.138 -5.833 1.00 3.11 O ATOM 1693 CG2 THR A 102 18.407 -2.603 -7.364 1.00 43.32 C ATOM 0 H THR A 102 17.680 -5.267 -4.474 1.00 14.22 H new ATOM 0 HA THR A 102 17.647 -2.516 -4.666 1.00 62.12 H new ATOM 0 HB THR A 102 17.756 -4.587 -6.911 1.00 73.40 H new ATOM 0 HG1 THR A 102 20.083 -4.388 -6.563 1.00 3.11 H new ATOM 0 HG21 THR A 102 19.090 -2.918 -8.153 1.00 43.32 H new ATOM 0 HG22 THR A 102 17.448 -2.328 -7.803 1.00 43.32 H new ATOM 0 HG23 THR A 102 18.827 -1.743 -6.842 1.00 43.32 H new ATOM 1701 N SER A 103 14.992 -3.856 -6.063 1.00 12.11 N ATOM 1702 CA SER A 103 13.696 -3.560 -6.699 1.00 3.54 C ATOM 1703 C SER A 103 12.555 -3.430 -5.675 1.00 11.43 C ATOM 1704 O SER A 103 11.378 -3.452 -6.047 1.00 51.44 O ATOM 1705 CB SER A 103 13.348 -4.655 -7.717 1.00 61.10 C ATOM 1706 OG SER A 103 13.225 -5.920 -7.087 1.00 64.21 O ATOM 0 H SER A 103 15.126 -4.838 -5.821 1.00 12.11 H new ATOM 0 HA SER A 103 13.799 -2.598 -7.202 1.00 3.54 H new ATOM 0 HB2 SER A 103 12.414 -4.404 -8.220 1.00 61.10 H new ATOM 0 HB3 SER A 103 14.121 -4.701 -8.484 1.00 61.10 H new ATOM 0 HG SER A 103 13.001 -6.599 -7.757 1.00 64.21 H new ATOM 1712 N ALA A 104 12.900 -3.269 -4.394 1.00 25.34 N ATOM 1713 CA ALA A 104 11.896 -3.155 -3.324 1.00 42.45 C ATOM 1714 C ALA A 104 10.923 -1.989 -3.567 1.00 22.15 C ATOM 1715 O ALA A 104 9.748 -2.202 -3.863 1.00 42.42 O ATOM 1716 CB ALA A 104 12.582 -2.996 -1.969 1.00 63.23 C ATOM 0 H ALA A 104 13.866 -3.214 -4.070 1.00 25.34 H new ATOM 0 HA ALA A 104 11.311 -4.075 -3.327 1.00 42.45 H new ATOM 0 HB1 ALA A 104 11.828 -2.913 -1.187 1.00 63.23 H new ATOM 0 HB2 ALA A 104 13.211 -3.865 -1.775 1.00 63.23 H new ATOM 0 HB3 ALA A 104 13.198 -2.097 -1.976 1.00 63.23 H new ATOM 1722 N ALA A 105 11.430 -0.761 -3.456 1.00 12.41 N ATOM 1723 CA ALA A 105 10.611 0.447 -3.642 1.00 13.34 C ATOM 1724 C ALA A 105 9.861 0.447 -4.985 1.00 71.53 C ATOM 1725 O ALA A 105 8.710 0.878 -5.072 1.00 60.13 O ATOM 1726 CB ALA A 105 11.494 1.685 -3.539 1.00 62.35 C ATOM 0 H ALA A 105 12.408 -0.572 -3.237 1.00 12.41 H new ATOM 0 HA ALA A 105 9.858 0.457 -2.854 1.00 13.34 H new ATOM 0 HB1 ALA A 105 10.885 2.579 -3.677 1.00 62.35 H new ATOM 0 HB2 ALA A 105 11.965 1.715 -2.557 1.00 62.35 H new ATOM 0 HB3 ALA A 105 12.264 1.648 -4.310 1.00 62.35 H new ATOM 1732 N PHE A 106 10.530 -0.042 -6.022 1.00 35.21 N ATOM 1733 CA PHE A 106 9.962 -0.088 -7.373 1.00 74.10 C ATOM 1734 C PHE A 106 8.746 -1.031 -7.452 1.00 64.34 C ATOM 1735 O PHE A 106 7.702 -0.671 -8.000 1.00 12.53 O ATOM 1736 CB PHE A 106 11.047 -0.536 -8.363 1.00 23.40 C ATOM 1737 CG PHE A 106 10.593 -0.572 -9.800 1.00 24.33 C ATOM 1738 CD1 PHE A 106 10.410 0.604 -10.511 1.00 54.21 C ATOM 1739 CD2 PHE A 106 10.349 -1.781 -10.439 1.00 23.04 C ATOM 1740 CE1 PHE A 106 9.993 0.580 -11.826 1.00 42.41 C ATOM 1741 CE2 PHE A 106 9.931 -1.812 -11.756 1.00 44.55 C ATOM 1742 CZ PHE A 106 9.753 -0.630 -12.450 1.00 62.15 C ATOM 0 H PHE A 106 11.476 -0.417 -5.956 1.00 35.21 H new ATOM 0 HA PHE A 106 9.613 0.912 -7.631 1.00 74.10 H new ATOM 0 HB2 PHE A 106 11.900 0.137 -8.280 1.00 23.40 H new ATOM 0 HB3 PHE A 106 11.396 -1.529 -8.078 1.00 23.40 H new ATOM 0 HD1 PHE A 106 10.596 1.552 -10.029 1.00 54.21 H new ATOM 0 HD2 PHE A 106 10.487 -2.707 -9.901 1.00 23.04 H new ATOM 0 HE1 PHE A 106 9.854 1.505 -12.367 1.00 42.41 H new ATOM 0 HE2 PHE A 106 9.744 -2.758 -12.242 1.00 44.55 H new ATOM 0 HZ PHE A 106 9.427 -0.652 -13.479 1.00 62.15 H new ATOM 1752 N THR A 107 8.892 -2.232 -6.897 1.00 50.01 N ATOM 1753 CA THR A 107 7.840 -3.260 -6.965 1.00 21.22 C ATOM 1754 C THR A 107 6.701 -2.988 -5.966 1.00 53.42 C ATOM 1755 O THR A 107 5.525 -3.174 -6.293 1.00 23.10 O ATOM 1756 CB THR A 107 8.418 -4.675 -6.708 1.00 34.20 C ATOM 1757 OG1 THR A 107 9.467 -4.956 -7.651 1.00 31.43 O ATOM 1758 CG2 THR A 107 7.340 -5.753 -6.815 1.00 22.44 C ATOM 0 H THR A 107 9.729 -2.524 -6.392 1.00 50.01 H new ATOM 0 HA THR A 107 7.432 -3.215 -7.975 1.00 21.22 H new ATOM 0 HB THR A 107 8.815 -4.689 -5.693 1.00 34.20 H new ATOM 0 HG1 THR A 107 10.300 -4.539 -7.347 1.00 31.43 H new ATOM 0 HG21 THR A 107 7.784 -6.731 -6.629 1.00 22.44 H new ATOM 0 HG22 THR A 107 6.560 -5.562 -6.078 1.00 22.44 H new ATOM 0 HG23 THR A 107 6.906 -5.736 -7.815 1.00 22.44 H new ATOM 1766 N LEU A 108 7.048 -2.551 -4.752 1.00 75.10 N ATOM 1767 CA LEU A 108 6.039 -2.246 -3.722 1.00 64.25 C ATOM 1768 C LEU A 108 5.064 -1.159 -4.192 1.00 31.13 C ATOM 1769 O LEU A 108 3.868 -1.226 -3.913 1.00 44.40 O ATOM 1770 CB LEU A 108 6.708 -1.805 -2.412 1.00 5.12 C ATOM 1771 CG LEU A 108 7.536 -2.883 -1.694 1.00 62.34 C ATOM 1772 CD1 LEU A 108 8.104 -2.339 -0.386 1.00 42.14 C ATOM 1773 CD2 LEU A 108 6.697 -4.136 -1.440 1.00 43.35 C ATOM 0 H LEU A 108 8.012 -2.400 -4.455 1.00 75.10 H new ATOM 0 HA LEU A 108 5.476 -3.162 -3.545 1.00 64.25 H new ATOM 0 HB2 LEU A 108 7.357 -0.955 -2.624 1.00 5.12 H new ATOM 0 HB3 LEU A 108 5.934 -1.453 -1.730 1.00 5.12 H new ATOM 0 HG LEU A 108 8.368 -3.160 -2.341 1.00 62.34 H new ATOM 0 HD11 LEU A 108 8.687 -3.116 0.108 1.00 42.14 H new ATOM 0 HD12 LEU A 108 8.745 -1.483 -0.596 1.00 42.14 H new ATOM 0 HD13 LEU A 108 7.286 -2.029 0.265 1.00 42.14 H new ATOM 0 HD21 LEU A 108 7.305 -4.884 -0.931 1.00 43.35 H new ATOM 0 HD22 LEU A 108 5.840 -3.880 -0.817 1.00 43.35 H new ATOM 0 HD23 LEU A 108 6.347 -4.539 -2.391 1.00 43.35 H new ATOM 1785 N ARG A 109 5.583 -0.160 -4.898 1.00 71.21 N ATOM 1786 CA ARG A 109 4.752 0.908 -5.460 1.00 25.25 C ATOM 1787 C ARG A 109 3.645 0.337 -6.366 1.00 24.03 C ATOM 1788 O ARG A 109 2.487 0.754 -6.285 1.00 3.12 O ATOM 1789 CB ARG A 109 5.636 1.888 -6.237 1.00 63.00 C ATOM 1790 CG ARG A 109 4.867 2.990 -6.958 1.00 14.40 C ATOM 1791 CD ARG A 109 5.813 3.952 -7.669 1.00 42.23 C ATOM 1792 NE ARG A 109 6.744 3.248 -8.551 1.00 35.52 N ATOM 1793 CZ ARG A 109 7.942 3.676 -8.847 1.00 30.24 C ATOM 1794 NH1 ARG A 109 8.393 4.790 -8.365 1.00 2.45 N ATOM 1795 NH2 ARG A 109 8.702 2.982 -9.622 1.00 74.23 N ATOM 0 H ARG A 109 6.579 -0.064 -5.097 1.00 71.21 H new ATOM 0 HA ARG A 109 4.263 1.436 -4.642 1.00 25.25 H new ATOM 0 HB2 ARG A 109 6.344 2.347 -5.547 1.00 63.00 H new ATOM 0 HB3 ARG A 109 6.221 1.330 -6.969 1.00 63.00 H new ATOM 0 HG2 ARG A 109 4.184 2.546 -7.683 1.00 14.40 H new ATOM 0 HG3 ARG A 109 4.257 3.540 -6.241 1.00 14.40 H new ATOM 0 HD2 ARG A 109 5.233 4.668 -8.251 1.00 42.23 H new ATOM 0 HD3 ARG A 109 6.375 4.522 -6.929 1.00 42.23 H new ATOM 0 HE ARG A 109 6.438 2.366 -8.961 1.00 35.52 H new ATOM 0 HH11 ARG A 109 7.810 5.350 -7.743 1.00 2.45 H new ATOM 0 HH12 ARG A 109 9.331 5.108 -8.608 1.00 2.45 H new ATOM 0 HH21 ARG A 109 8.368 2.098 -10.005 1.00 74.23 H new ATOM 0 HH22 ARG A 109 9.637 3.317 -9.853 1.00 74.23 H new ATOM 1809 N THR A 110 4.007 -0.622 -7.219 1.00 11.44 N ATOM 1810 CA THR A 110 3.036 -1.289 -8.098 1.00 60.23 C ATOM 1811 C THR A 110 2.034 -2.128 -7.288 1.00 63.42 C ATOM 1812 O THR A 110 0.821 -2.017 -7.477 1.00 21.11 O ATOM 1813 CB THR A 110 3.732 -2.203 -9.143 1.00 34.14 C ATOM 1814 OG1 THR A 110 4.538 -1.414 -10.037 1.00 4.12 O ATOM 1815 CG2 THR A 110 2.714 -3.010 -9.950 1.00 31.15 C ATOM 0 H THR A 110 4.965 -0.957 -7.323 1.00 11.44 H new ATOM 0 HA THR A 110 2.504 -0.497 -8.624 1.00 60.23 H new ATOM 0 HB THR A 110 4.367 -2.901 -8.597 1.00 34.14 H new ATOM 0 HG1 THR A 110 4.973 -2.001 -10.690 1.00 4.12 H new ATOM 0 HG21 THR A 110 3.237 -3.638 -10.671 1.00 31.15 H new ATOM 0 HG22 THR A 110 2.132 -3.639 -9.276 1.00 31.15 H new ATOM 0 HG23 THR A 110 2.047 -2.329 -10.478 1.00 31.15 H new ATOM 1823 N GLN A 111 2.545 -2.958 -6.378 1.00 62.12 N ATOM 1824 CA GLN A 111 1.691 -3.829 -5.556 1.00 71.42 C ATOM 1825 C GLN A 111 0.673 -3.013 -4.741 1.00 4.35 C ATOM 1826 O GLN A 111 -0.529 -3.276 -4.786 1.00 12.43 O ATOM 1827 CB GLN A 111 2.547 -4.696 -4.620 1.00 53.23 C ATOM 1828 CG GLN A 111 3.520 -5.622 -5.349 1.00 54.41 C ATOM 1829 CD GLN A 111 2.829 -6.603 -6.288 1.00 10.41 C ATOM 1830 OE1 GLN A 111 1.695 -7.014 -6.063 1.00 24.42 O ATOM 1831 NE2 GLN A 111 3.509 -6.991 -7.348 1.00 41.12 N ATOM 0 H GLN A 111 3.543 -3.049 -6.189 1.00 62.12 H new ATOM 0 HA GLN A 111 1.136 -4.480 -6.232 1.00 71.42 H new ATOM 0 HB2 GLN A 111 3.112 -4.045 -3.953 1.00 53.23 H new ATOM 0 HB3 GLN A 111 1.888 -5.298 -3.995 1.00 53.23 H new ATOM 0 HG2 GLN A 111 4.226 -5.019 -5.920 1.00 54.41 H new ATOM 0 HG3 GLN A 111 4.100 -6.180 -4.614 1.00 54.41 H new ATOM 0 HE21 GLN A 111 4.450 -6.633 -7.509 1.00 41.12 H new ATOM 0 HE22 GLN A 111 3.094 -7.650 -8.007 1.00 41.12 H new ATOM 1840 N TYR A 112 1.161 -2.012 -4.013 1.00 72.43 N ATOM 1841 CA TYR A 112 0.295 -1.138 -3.212 1.00 63.54 C ATOM 1842 C TYR A 112 -0.794 -0.490 -4.087 1.00 70.31 C ATOM 1843 O TYR A 112 -1.952 -0.376 -3.676 1.00 14.34 O ATOM 1844 CB TYR A 112 1.139 -0.056 -2.521 1.00 15.52 C ATOM 1845 CG TYR A 112 0.379 0.763 -1.490 1.00 75.51 C ATOM 1846 CD1 TYR A 112 -0.316 1.911 -1.853 1.00 10.45 C ATOM 1847 CD2 TYR A 112 0.365 0.390 -0.151 1.00 4.44 C ATOM 1848 CE1 TYR A 112 -0.997 2.659 -0.915 1.00 11.34 C ATOM 1849 CE2 TYR A 112 -0.318 1.132 0.792 1.00 30.24 C ATOM 1850 CZ TYR A 112 -0.995 2.267 0.407 1.00 65.31 C ATOM 1851 OH TYR A 112 -1.670 3.014 1.344 1.00 2.33 O ATOM 0 H TYR A 112 2.153 -1.782 -3.958 1.00 72.43 H new ATOM 0 HA TYR A 112 -0.199 -1.744 -2.453 1.00 63.54 H new ATOM 0 HB2 TYR A 112 1.991 -0.531 -2.035 1.00 15.52 H new ATOM 0 HB3 TYR A 112 1.539 0.617 -3.280 1.00 15.52 H new ATOM 0 HD1 TYR A 112 -0.323 2.223 -2.887 1.00 10.45 H new ATOM 0 HD2 TYR A 112 0.898 -0.497 0.158 1.00 4.44 H new ATOM 0 HE1 TYR A 112 -1.530 3.549 -1.215 1.00 11.34 H new ATOM 0 HE2 TYR A 112 -0.321 0.823 1.827 1.00 30.24 H new ATOM 0 HH TYR A 112 -1.940 3.869 0.948 1.00 2.33 H new ATOM 1861 N MET A 113 -0.413 -0.091 -5.303 1.00 32.45 N ATOM 1862 CA MET A 113 -1.344 0.538 -6.249 1.00 4.21 C ATOM 1863 C MET A 113 -2.418 -0.456 -6.736 1.00 60.45 C ATOM 1864 O MET A 113 -3.500 -0.057 -7.172 1.00 64.42 O ATOM 1865 CB MET A 113 -0.568 1.111 -7.443 1.00 4.40 C ATOM 1866 CG MET A 113 -1.416 1.956 -8.386 1.00 43.44 C ATOM 1867 SD MET A 113 -0.458 2.648 -9.748 1.00 41.21 S ATOM 1868 CE MET A 113 0.749 3.625 -8.850 1.00 12.54 C ATOM 0 H MET A 113 0.538 -0.192 -5.659 1.00 32.45 H new ATOM 0 HA MET A 113 -1.857 1.347 -5.729 1.00 4.21 H new ATOM 0 HB2 MET A 113 0.256 1.718 -7.070 1.00 4.40 H new ATOM 0 HB3 MET A 113 -0.128 0.288 -8.006 1.00 4.40 H new ATOM 0 HG2 MET A 113 -2.224 1.345 -8.789 1.00 43.44 H new ATOM 0 HG3 MET A 113 -1.880 2.767 -7.824 1.00 43.44 H new ATOM 0 HE1 MET A 113 1.276 4.279 -9.544 1.00 12.54 H new ATOM 0 HE2 MET A 113 0.241 4.228 -8.097 1.00 12.54 H new ATOM 0 HE3 MET A 113 1.464 2.962 -8.362 1.00 12.54 H new ATOM 1878 N LYS A 114 -2.105 -1.749 -6.668 1.00 64.45 N ATOM 1879 CA LYS A 114 -3.061 -2.803 -7.033 1.00 22.53 C ATOM 1880 C LYS A 114 -4.122 -3.024 -5.940 1.00 65.00 C ATOM 1881 O LYS A 114 -5.320 -3.066 -6.223 1.00 72.02 O ATOM 1882 CB LYS A 114 -2.331 -4.134 -7.276 1.00 74.34 C ATOM 1883 CG LYS A 114 -1.394 -4.145 -8.483 1.00 13.12 C ATOM 1884 CD LYS A 114 -0.590 -5.445 -8.554 1.00 51.14 C ATOM 1885 CE LYS A 114 -1.493 -6.673 -8.664 1.00 12.42 C ATOM 1886 NZ LYS A 114 -0.733 -7.943 -8.492 1.00 31.02 N ATOM 0 H LYS A 114 -1.196 -2.096 -6.363 1.00 64.45 H new ATOM 0 HA LYS A 114 -3.558 -2.471 -7.945 1.00 22.53 H new ATOM 0 HB2 LYS A 114 -1.754 -4.383 -6.385 1.00 74.34 H new ATOM 0 HB3 LYS A 114 -3.074 -4.921 -7.405 1.00 74.34 H new ATOM 0 HG2 LYS A 114 -1.975 -4.024 -9.397 1.00 13.12 H new ATOM 0 HG3 LYS A 114 -0.712 -3.297 -8.424 1.00 13.12 H new ATOM 0 HD2 LYS A 114 0.080 -5.410 -9.413 1.00 51.14 H new ATOM 0 HD3 LYS A 114 0.035 -5.533 -7.665 1.00 51.14 H new ATOM 0 HE2 LYS A 114 -2.277 -6.615 -7.909 1.00 12.42 H new ATOM 0 HE3 LYS A 114 -1.986 -6.674 -9.636 1.00 12.42 H new ATOM 0 HZ1 LYS A 114 -1.026 -8.624 -9.221 1.00 31.02 H new ATOM 0 HZ2 LYS A 114 0.285 -7.753 -8.584 1.00 31.02 H new ATOM 0 HZ3 LYS A 114 -0.928 -8.339 -7.550 1.00 31.02 H new ATOM 1900 N TYR A 115 -3.669 -3.176 -4.691 1.00 10.44 N ATOM 1901 CA TYR A 115 -4.549 -3.634 -3.602 1.00 33.34 C ATOM 1902 C TYR A 115 -5.040 -2.491 -2.688 1.00 43.24 C ATOM 1903 O TYR A 115 -6.238 -2.347 -2.450 1.00 3.14 O ATOM 1904 CB TYR A 115 -3.812 -4.684 -2.747 1.00 41.14 C ATOM 1905 CG TYR A 115 -3.021 -5.698 -3.560 1.00 34.34 C ATOM 1906 CD1 TYR A 115 -3.660 -6.674 -4.313 1.00 10.14 C ATOM 1907 CD2 TYR A 115 -1.631 -5.664 -3.585 1.00 72.15 C ATOM 1908 CE1 TYR A 115 -2.941 -7.583 -5.067 1.00 4.14 C ATOM 1909 CE2 TYR A 115 -0.905 -6.571 -4.331 1.00 51.34 C ATOM 1910 CZ TYR A 115 -1.564 -7.526 -5.073 1.00 62.04 C ATOM 1911 OH TYR A 115 -0.842 -8.419 -5.837 1.00 63.34 O ATOM 0 H TYR A 115 -2.707 -2.991 -4.407 1.00 10.44 H new ATOM 0 HA TYR A 115 -5.431 -4.065 -4.076 1.00 33.34 H new ATOM 0 HB2 TYR A 115 -3.133 -4.171 -2.065 1.00 41.14 H new ATOM 0 HB3 TYR A 115 -4.540 -5.214 -2.133 1.00 41.14 H new ATOM 0 HD1 TYR A 115 -4.739 -6.724 -4.310 1.00 10.14 H new ATOM 0 HD2 TYR A 115 -1.109 -4.914 -3.010 1.00 72.15 H new ATOM 0 HE1 TYR A 115 -3.456 -8.334 -5.648 1.00 4.14 H new ATOM 0 HE2 TYR A 115 0.174 -6.532 -4.333 1.00 51.34 H new ATOM 0 HH TYR A 115 0.089 -8.120 -5.897 1.00 63.34 H new ATOM 1921 N LEU A 116 -4.117 -1.668 -2.196 1.00 25.32 N ATOM 1922 CA LEU A 116 -4.425 -0.724 -1.104 1.00 4.31 C ATOM 1923 C LEU A 116 -4.734 0.702 -1.592 1.00 54.35 C ATOM 1924 O LEU A 116 -5.339 1.490 -0.862 1.00 54.30 O ATOM 1925 CB LEU A 116 -3.258 -0.705 -0.109 1.00 15.11 C ATOM 1926 CG LEU A 116 -3.000 -2.045 0.602 1.00 40.21 C ATOM 1927 CD1 LEU A 116 -1.698 -2.007 1.393 1.00 12.14 C ATOM 1928 CD2 LEU A 116 -4.170 -2.398 1.518 1.00 35.41 C ATOM 0 H LEU A 116 -3.153 -1.629 -2.528 1.00 25.32 H new ATOM 0 HA LEU A 116 -5.335 -1.079 -0.621 1.00 4.31 H new ATOM 0 HB2 LEU A 116 -2.352 -0.409 -0.638 1.00 15.11 H new ATOM 0 HB3 LEU A 116 -3.452 0.059 0.644 1.00 15.11 H new ATOM 0 HG LEU A 116 -2.908 -2.818 -0.161 1.00 40.21 H new ATOM 0 HD11 LEU A 116 -1.543 -2.967 1.884 1.00 12.14 H new ATOM 0 HD12 LEU A 116 -0.867 -1.807 0.717 1.00 12.14 H new ATOM 0 HD13 LEU A 116 -1.752 -1.219 2.145 1.00 12.14 H new ATOM 0 HD21 LEU A 116 -3.971 -3.349 2.013 1.00 35.41 H new ATOM 0 HD22 LEU A 116 -4.293 -1.617 2.268 1.00 35.41 H new ATOM 0 HD23 LEU A 116 -5.082 -2.481 0.927 1.00 35.41 H new ATOM 1940 N TYR A 117 -4.332 1.027 -2.819 1.00 74.41 N ATOM 1941 CA TYR A 117 -4.570 2.367 -3.395 1.00 32.51 C ATOM 1942 C TYR A 117 -6.047 2.824 -3.270 1.00 42.04 C ATOM 1943 O TYR A 117 -6.314 3.915 -2.757 1.00 52.41 O ATOM 1944 CB TYR A 117 -4.109 2.402 -4.864 1.00 41.32 C ATOM 1945 CG TYR A 117 -4.588 3.616 -5.644 1.00 62.25 C ATOM 1946 CD1 TYR A 117 -4.069 4.883 -5.395 1.00 14.32 C ATOM 1947 CD2 TYR A 117 -5.564 3.491 -6.629 1.00 43.40 C ATOM 1948 CE1 TYR A 117 -4.510 5.986 -6.102 1.00 44.20 C ATOM 1949 CE2 TYR A 117 -6.009 4.589 -7.339 1.00 2.11 C ATOM 1950 CZ TYR A 117 -5.479 5.832 -7.074 1.00 21.54 C ATOM 1951 OH TYR A 117 -5.921 6.927 -7.782 1.00 52.14 O ATOM 0 H TYR A 117 -3.839 0.387 -3.441 1.00 74.41 H new ATOM 0 HA TYR A 117 -3.979 3.075 -2.814 1.00 32.51 H new ATOM 0 HB2 TYR A 117 -3.020 2.375 -4.891 1.00 41.32 H new ATOM 0 HB3 TYR A 117 -4.463 1.501 -5.365 1.00 41.32 H new ATOM 0 HD1 TYR A 117 -3.309 5.007 -4.637 1.00 14.32 H new ATOM 0 HD2 TYR A 117 -5.981 2.518 -6.842 1.00 43.40 H new ATOM 0 HE1 TYR A 117 -4.099 6.963 -5.895 1.00 44.20 H new ATOM 0 HE2 TYR A 117 -6.769 4.473 -8.098 1.00 2.11 H new ATOM 0 HH TYR A 117 -6.602 6.646 -8.428 1.00 52.14 H new ATOM 1961 N PRO A 118 -7.036 2.016 -3.727 1.00 41.21 N ATOM 1962 CA PRO A 118 -8.457 2.397 -3.621 1.00 1.23 C ATOM 1963 C PRO A 118 -8.916 2.560 -2.163 1.00 34.33 C ATOM 1964 O PRO A 118 -9.836 3.328 -1.865 1.00 71.34 O ATOM 1965 CB PRO A 118 -9.200 1.225 -4.293 1.00 10.30 C ATOM 1966 CG PRO A 118 -8.166 0.527 -5.113 1.00 52.00 C ATOM 1967 CD PRO A 118 -6.874 0.697 -4.370 1.00 24.14 C ATOM 0 HA PRO A 118 -8.651 3.363 -4.088 1.00 1.23 H new ATOM 0 HB2 PRO A 118 -9.632 0.555 -3.550 1.00 10.30 H new ATOM 0 HB3 PRO A 118 -10.020 1.583 -4.915 1.00 10.30 H new ATOM 0 HG2 PRO A 118 -8.411 -0.528 -5.236 1.00 52.00 H new ATOM 0 HG3 PRO A 118 -8.102 0.958 -6.112 1.00 52.00 H new ATOM 0 HD2 PRO A 118 -6.723 -0.095 -3.636 1.00 24.14 H new ATOM 0 HD3 PRO A 118 -6.016 0.677 -5.042 1.00 24.14 H new ATOM 1975 N TYR A 119 -8.248 1.852 -1.251 1.00 2.54 N ATOM 1976 CA TYR A 119 -8.658 1.821 0.153 1.00 64.10 C ATOM 1977 C TYR A 119 -8.308 3.137 0.870 1.00 60.31 C ATOM 1978 O TYR A 119 -9.164 3.732 1.530 1.00 43.24 O ATOM 1979 CB TYR A 119 -8.015 0.622 0.869 1.00 10.22 C ATOM 1980 CG TYR A 119 -8.820 0.129 2.058 1.00 75.34 C ATOM 1981 CD1 TYR A 119 -9.954 -0.653 1.866 1.00 75.25 C ATOM 1982 CD2 TYR A 119 -8.461 0.451 3.363 1.00 61.42 C ATOM 1983 CE1 TYR A 119 -10.702 -1.101 2.934 1.00 60.55 C ATOM 1984 CE2 TYR A 119 -9.209 0.006 4.438 1.00 14.23 C ATOM 1985 CZ TYR A 119 -10.328 -0.771 4.218 1.00 54.32 C ATOM 1986 OH TYR A 119 -11.083 -1.204 5.282 1.00 64.20 O ATOM 0 H TYR A 119 -7.421 1.293 -1.460 1.00 2.54 H new ATOM 0 HA TYR A 119 -9.742 1.708 0.186 1.00 64.10 H new ATOM 0 HB2 TYR A 119 -7.894 -0.195 0.157 1.00 10.22 H new ATOM 0 HB3 TYR A 119 -7.017 0.902 1.206 1.00 10.22 H new ATOM 0 HD1 TYR A 119 -10.254 -0.914 0.862 1.00 75.25 H new ATOM 0 HD2 TYR A 119 -7.585 1.058 3.539 1.00 61.42 H new ATOM 0 HE1 TYR A 119 -11.578 -1.709 2.764 1.00 60.55 H new ATOM 0 HE2 TYR A 119 -8.919 0.266 5.445 1.00 14.23 H new ATOM 0 HH TYR A 119 -11.852 -1.714 4.952 1.00 64.20 H new ATOM 1996 N GLU A 120 -7.060 3.601 0.731 1.00 24.33 N ATOM 1997 CA GLU A 120 -6.654 4.882 1.333 1.00 53.05 C ATOM 1998 C GLU A 120 -7.441 6.042 0.711 1.00 21.54 C ATOM 1999 O GLU A 120 -7.769 7.019 1.385 1.00 14.35 O ATOM 2000 CB GLU A 120 -5.142 5.142 1.180 1.00 73.30 C ATOM 2001 CG GLU A 120 -4.693 5.488 -0.241 1.00 2.12 C ATOM 2002 CD GLU A 120 -3.316 6.141 -0.276 1.00 22.23 C ATOM 2003 OE1 GLU A 120 -2.311 5.419 -0.125 1.00 64.11 O ATOM 2004 OE2 GLU A 120 -3.237 7.381 -0.448 1.00 3.43 O ATOM 0 H GLU A 120 -6.323 3.120 0.216 1.00 24.33 H new ATOM 0 HA GLU A 120 -6.878 4.818 2.398 1.00 53.05 H new ATOM 0 HB2 GLU A 120 -4.858 5.958 1.845 1.00 73.30 H new ATOM 0 HB3 GLU A 120 -4.600 4.257 1.512 1.00 73.30 H new ATOM 0 HG2 GLU A 120 -4.676 4.580 -0.844 1.00 2.12 H new ATOM 0 HG3 GLU A 120 -5.422 6.160 -0.695 1.00 2.12 H new ATOM 2011 N CYS A 121 -7.728 5.923 -0.585 1.00 31.31 N ATOM 2012 CA CYS A 121 -8.507 6.932 -1.314 1.00 14.42 C ATOM 2013 C CYS A 121 -9.854 7.215 -0.634 1.00 1.10 C ATOM 2014 O CYS A 121 -10.169 8.361 -0.313 1.00 71.01 O ATOM 2015 CB CYS A 121 -8.747 6.471 -2.757 1.00 45.54 C ATOM 2016 SG CYS A 121 -9.857 7.539 -3.706 1.00 73.31 S ATOM 0 H CYS A 121 -7.432 5.133 -1.158 1.00 31.31 H new ATOM 0 HA CYS A 121 -7.928 7.856 -1.312 1.00 14.42 H new ATOM 0 HB2 CYS A 121 -7.788 6.415 -3.272 1.00 45.54 H new ATOM 0 HB3 CYS A 121 -9.159 5.462 -2.740 1.00 45.54 H new ATOM 0 HG CYS A 121 -9.992 7.065 -4.909 1.00 73.31 H new ATOM 2022 N GLU A 122 -10.647 6.168 -0.407 1.00 42.15 N ATOM 2023 CA GLU A 122 -11.976 6.332 0.205 1.00 35.42 C ATOM 2024 C GLU A 122 -11.909 6.437 1.741 1.00 2.54 C ATOM 2025 O GLU A 122 -12.344 7.429 2.333 1.00 14.43 O ATOM 2026 CB GLU A 122 -12.893 5.160 -0.172 1.00 4.01 C ATOM 2027 CG GLU A 122 -14.308 5.301 0.387 1.00 33.13 C ATOM 2028 CD GLU A 122 -15.138 4.037 0.235 1.00 12.25 C ATOM 2029 OE1 GLU A 122 -15.741 3.836 -0.842 1.00 33.44 O ATOM 2030 OE2 GLU A 122 -15.202 3.245 1.202 1.00 52.21 O ATOM 0 H GLU A 122 -10.401 5.204 -0.633 1.00 42.15 H new ATOM 0 HA GLU A 122 -12.380 7.267 -0.184 1.00 35.42 H new ATOM 0 HB2 GLU A 122 -12.944 5.081 -1.258 1.00 4.01 H new ATOM 0 HB3 GLU A 122 -12.455 4.232 0.194 1.00 4.01 H new ATOM 0 HG2 GLU A 122 -14.250 5.566 1.443 1.00 33.13 H new ATOM 0 HG3 GLU A 122 -14.813 6.123 -0.121 1.00 33.13 H new ATOM 2037 N LYS A 123 -11.348 5.413 2.374 1.00 43.32 N ATOM 2038 CA LYS A 123 -11.442 5.243 3.830 1.00 72.42 C ATOM 2039 C LYS A 123 -10.414 6.071 4.623 1.00 71.13 C ATOM 2040 O LYS A 123 -10.177 5.800 5.804 1.00 71.54 O ATOM 2041 CB LYS A 123 -11.322 3.764 4.176 1.00 64.05 C ATOM 2042 CG LYS A 123 -12.400 2.917 3.502 1.00 74.15 C ATOM 2043 CD LYS A 123 -12.843 1.764 4.385 1.00 73.13 C ATOM 2044 CE LYS A 123 -13.833 0.849 3.674 1.00 62.41 C ATOM 2045 NZ LYS A 123 -14.278 -0.269 4.544 1.00 74.24 N ATOM 0 H LYS A 123 -10.818 4.680 1.903 1.00 43.32 H new ATOM 0 HA LYS A 123 -12.418 5.625 4.130 1.00 72.42 H new ATOM 0 HB2 LYS A 123 -10.339 3.402 3.875 1.00 64.05 H new ATOM 0 HB3 LYS A 123 -11.390 3.640 5.257 1.00 64.05 H new ATOM 0 HG2 LYS A 123 -13.259 3.544 3.264 1.00 74.15 H new ATOM 0 HG3 LYS A 123 -12.019 2.527 2.558 1.00 74.15 H new ATOM 0 HD2 LYS A 123 -11.971 1.186 4.692 1.00 73.13 H new ATOM 0 HD3 LYS A 123 -13.300 2.157 5.293 1.00 73.13 H new ATOM 0 HE2 LYS A 123 -14.700 1.429 3.357 1.00 62.41 H new ATOM 0 HE3 LYS A 123 -13.372 0.446 2.772 1.00 62.41 H new ATOM 0 HZ1 LYS A 123 -15.304 -0.402 4.441 1.00 74.24 H new ATOM 0 HZ2 LYS A 123 -13.786 -1.142 4.266 1.00 74.24 H new ATOM 0 HZ3 LYS A 123 -14.056 -0.047 5.535 1.00 74.24 H new ATOM 2059 N ARG A 124 -9.813 7.077 3.992 1.00 4.22 N ATOM 2060 CA ARG A 124 -8.852 7.938 4.691 1.00 15.03 C ATOM 2061 C ARG A 124 -8.670 9.300 3.993 1.00 53.13 C ATOM 2062 O ARG A 124 -8.638 10.339 4.652 1.00 34.12 O ATOM 2063 CB ARG A 124 -7.503 7.213 4.826 1.00 20.25 C ATOM 2064 CG ARG A 124 -6.521 7.884 5.781 1.00 60.10 C ATOM 2065 CD ARG A 124 -7.113 8.079 7.177 1.00 12.31 C ATOM 2066 NE ARG A 124 -7.665 6.841 7.736 1.00 41.23 N ATOM 2067 CZ ARG A 124 -7.585 6.505 8.998 1.00 53.53 C ATOM 2068 NH1 ARG A 124 -6.933 7.244 9.837 1.00 51.23 N ATOM 2069 NH2 ARG A 124 -8.150 5.421 9.416 1.00 15.30 N ATOM 0 H ARG A 124 -9.968 7.317 3.013 1.00 4.22 H new ATOM 0 HA ARG A 124 -9.254 8.144 5.683 1.00 15.03 H new ATOM 0 HB2 ARG A 124 -7.684 6.194 5.167 1.00 20.25 H new ATOM 0 HB3 ARG A 124 -7.042 7.142 3.841 1.00 20.25 H new ATOM 0 HG2 ARG A 124 -5.617 7.280 5.853 1.00 60.10 H new ATOM 0 HG3 ARG A 124 -6.226 8.852 5.375 1.00 60.10 H new ATOM 0 HD2 ARG A 124 -6.341 8.461 7.844 1.00 12.31 H new ATOM 0 HD3 ARG A 124 -7.898 8.834 7.132 1.00 12.31 H new ATOM 0 HE ARG A 124 -8.142 6.201 7.101 1.00 41.23 H new ATOM 0 HH11 ARG A 124 -6.475 8.097 9.516 1.00 51.23 H new ATOM 0 HH12 ARG A 124 -6.877 6.973 10.819 1.00 51.23 H new ATOM 0 HH21 ARG A 124 -8.659 4.826 8.762 1.00 15.30 H new ATOM 0 HH22 ARG A 124 -8.087 5.160 10.400 1.00 15.30 H new ATOM 2083 N GLY A 125 -8.554 9.292 2.666 1.00 14.30 N ATOM 2084 CA GLY A 125 -8.373 10.534 1.916 1.00 53.33 C ATOM 2085 C GLY A 125 -6.975 11.135 2.078 1.00 22.13 C ATOM 2086 O GLY A 125 -6.818 12.264 2.552 1.00 32.34 O ATOM 0 H GLY A 125 -8.582 8.449 2.093 1.00 14.30 H new ATOM 0 HA2 GLY A 125 -8.560 10.344 0.859 1.00 53.33 H new ATOM 0 HA3 GLY A 125 -9.115 11.261 2.245 1.00 53.33 H new ATOM 2090 N LEU A 126 -5.957 10.380 1.676 1.00 44.31 N ATOM 2091 CA LEU A 126 -4.558 10.797 1.850 1.00 53.34 C ATOM 2092 C LEU A 126 -4.016 11.587 0.650 1.00 53.43 C ATOM 2093 O LEU A 126 -3.173 12.474 0.815 1.00 2.33 O ATOM 2094 CB LEU A 126 -3.683 9.563 2.081 1.00 4.21 C ATOM 2095 CG LEU A 126 -3.975 8.796 3.375 1.00 35.34 C ATOM 2096 CD1 LEU A 126 -3.171 7.503 3.428 1.00 73.11 C ATOM 2097 CD2 LEU A 126 -3.680 9.667 4.594 1.00 3.11 C ATOM 0 H LEU A 126 -6.069 9.472 1.225 1.00 44.31 H new ATOM 0 HA LEU A 126 -4.527 11.461 2.714 1.00 53.34 H new ATOM 0 HB2 LEU A 126 -3.808 8.884 1.238 1.00 4.21 H new ATOM 0 HB3 LEU A 126 -2.638 9.873 2.088 1.00 4.21 H new ATOM 0 HG LEU A 126 -5.034 8.538 3.388 1.00 35.34 H new ATOM 0 HD11 LEU A 126 -3.393 6.974 4.355 1.00 73.11 H new ATOM 0 HD12 LEU A 126 -3.437 6.874 2.578 1.00 73.11 H new ATOM 0 HD13 LEU A 126 -2.107 7.735 3.389 1.00 73.11 H new ATOM 0 HD21 LEU A 126 -3.894 9.105 5.503 1.00 3.11 H new ATOM 0 HD22 LEU A 126 -2.630 9.960 4.587 1.00 3.11 H new ATOM 0 HD23 LEU A 126 -4.306 10.559 4.564 1.00 3.11 H new ATOM 2109 N SER A 127 -4.490 11.265 -0.551 1.00 45.05 N ATOM 2110 CA SER A 127 -3.928 11.860 -1.770 1.00 1.22 C ATOM 2111 C SER A 127 -4.920 11.858 -2.945 1.00 64.10 C ATOM 2112 O SER A 127 -5.973 11.217 -2.895 1.00 0.00 O ATOM 2113 CB SER A 127 -2.654 11.104 -2.172 1.00 10.41 C ATOM 2114 OG SER A 127 -2.931 9.743 -2.481 1.00 11.42 O ATOM 0 H SER A 127 -5.251 10.605 -0.710 1.00 45.05 H new ATOM 0 HA SER A 127 -3.699 12.901 -1.543 1.00 1.22 H new ATOM 0 HB2 SER A 127 -2.199 11.589 -3.036 1.00 10.41 H new ATOM 0 HB3 SER A 127 -1.929 11.154 -1.360 1.00 10.41 H new ATOM 0 HG SER A 127 -2.971 9.221 -1.653 1.00 11.42 H new ATOM 2120 N ASN A 128 -4.570 12.601 -3.999 1.00 44.34 N ATOM 2121 CA ASN A 128 -5.378 12.679 -5.226 1.00 21.10 C ATOM 2122 C ASN A 128 -4.812 11.762 -6.328 1.00 11.21 C ATOM 2123 O ASN A 128 -3.600 11.538 -6.402 1.00 31.21 O ATOM 2124 CB ASN A 128 -5.384 14.117 -5.760 1.00 64.32 C ATOM 2125 CG ASN A 128 -5.787 15.143 -4.720 1.00 3.51 C ATOM 2126 OD1 ASN A 128 -6.644 14.898 -3.876 1.00 13.54 O ATOM 2127 ND2 ASN A 128 -5.161 16.301 -4.771 1.00 22.55 N ATOM 0 H ASN A 128 -3.721 13.165 -4.029 1.00 44.34 H new ATOM 0 HA ASN A 128 -6.388 12.358 -4.972 1.00 21.10 H new ATOM 0 HB2 ASN A 128 -4.390 14.362 -6.135 1.00 64.32 H new ATOM 0 HB3 ASN A 128 -6.068 14.180 -6.606 1.00 64.32 H new ATOM 0 HD21 ASN A 128 -5.383 17.031 -4.094 1.00 22.55 H new ATOM 0 HD22 ASN A 128 -4.454 16.468 -5.487 1.00 22.55 H new ATOM 2134 N PRO A 129 -5.675 11.252 -7.230 1.00 21.42 N ATOM 2135 CA PRO A 129 -5.226 10.451 -8.385 1.00 73.10 C ATOM 2136 C PRO A 129 -4.337 11.260 -9.351 1.00 74.31 C ATOM 2137 O PRO A 129 -3.493 10.702 -10.051 1.00 62.32 O ATOM 2138 CB PRO A 129 -6.541 10.037 -9.070 1.00 1.40 C ATOM 2139 CG PRO A 129 -7.550 11.032 -8.598 1.00 14.15 C ATOM 2140 CD PRO A 129 -7.142 11.398 -7.197 1.00 10.35 C ATOM 0 HA PRO A 129 -4.610 9.605 -8.079 1.00 73.10 H new ATOM 0 HB2 PRO A 129 -6.444 10.057 -10.156 1.00 1.40 H new ATOM 0 HB3 PRO A 129 -6.828 9.022 -8.794 1.00 1.40 H new ATOM 0 HG2 PRO A 129 -7.564 11.910 -9.243 1.00 14.15 H new ATOM 0 HG3 PRO A 129 -8.554 10.608 -8.615 1.00 14.15 H new ATOM 0 HD2 PRO A 129 -7.441 12.415 -6.942 1.00 10.35 H new ATOM 0 HD3 PRO A 129 -7.597 10.738 -6.459 1.00 10.35 H new ATOM 2148 N ASN A 130 -4.533 12.583 -9.376 1.00 41.50 N ATOM 2149 CA ASN A 130 -3.755 13.470 -10.252 1.00 4.53 C ATOM 2150 C ASN A 130 -2.310 13.635 -9.753 1.00 14.11 C ATOM 2151 O ASN A 130 -1.359 13.325 -10.474 1.00 51.33 O ATOM 2152 CB ASN A 130 -4.437 14.840 -10.368 1.00 71.11 C ATOM 2153 CG ASN A 130 -5.818 14.741 -10.993 1.00 21.05 C ATOM 2154 OD1 ASN A 130 -5.963 14.757 -12.212 1.00 21.23 O ATOM 2155 ND2 ASN A 130 -6.843 14.657 -10.171 1.00 54.45 N ATOM 0 H ASN A 130 -5.224 13.064 -8.800 1.00 41.50 H new ATOM 0 HA ASN A 130 -3.715 13.007 -11.238 1.00 4.53 H new ATOM 0 HB2 ASN A 130 -4.519 15.288 -9.378 1.00 71.11 H new ATOM 0 HB3 ASN A 130 -3.815 15.504 -10.968 1.00 71.11 H new ATOM 0 HD21 ASN A 130 -7.791 14.603 -10.542 1.00 54.45 H new ATOM 0 HD22 ASN A 130 -6.689 14.646 -9.163 1.00 54.45 H new ATOM 2162 N GLU A 131 -2.146 14.118 -8.517 1.00 13.43 N ATOM 2163 CA GLU A 131 -0.813 14.291 -7.917 1.00 15.15 C ATOM 2164 C GLU A 131 0.003 12.987 -7.962 1.00 45.44 C ATOM 2165 O GLU A 131 1.231 13.019 -8.077 1.00 63.51 O ATOM 2166 CB GLU A 131 -0.919 14.803 -6.471 1.00 52.13 C ATOM 2167 CG GLU A 131 -1.614 13.843 -5.512 1.00 40.43 C ATOM 2168 CD GLU A 131 -1.646 14.367 -4.085 1.00 31.33 C ATOM 2169 OE1 GLU A 131 -0.610 14.297 -3.394 1.00 22.31 O ATOM 2170 OE2 GLU A 131 -2.703 14.864 -3.652 1.00 73.52 O ATOM 0 H GLU A 131 -2.917 14.397 -7.911 1.00 13.43 H new ATOM 0 HA GLU A 131 -0.288 15.038 -8.512 1.00 15.15 H new ATOM 0 HB2 GLU A 131 0.084 15.008 -6.097 1.00 52.13 H new ATOM 0 HB3 GLU A 131 -1.459 15.750 -6.472 1.00 52.13 H new ATOM 0 HG2 GLU A 131 -2.634 13.668 -5.854 1.00 40.43 H new ATOM 0 HG3 GLU A 131 -1.102 12.881 -5.531 1.00 40.43 H new ATOM 2177 N LEU A 132 -0.686 11.847 -7.854 1.00 53.01 N ATOM 2178 CA LEU A 132 -0.051 10.529 -7.996 1.00 15.34 C ATOM 2179 C LEU A 132 0.793 10.437 -9.283 1.00 72.23 C ATOM 2180 O LEU A 132 1.932 9.966 -9.257 1.00 12.42 O ATOM 2181 CB LEU A 132 -1.121 9.423 -7.997 1.00 4.24 C ATOM 2182 CG LEU A 132 -0.592 7.986 -8.173 1.00 65.04 C ATOM 2183 CD1 LEU A 132 0.360 7.610 -7.042 1.00 74.44 C ATOM 2184 CD2 LEU A 132 -1.749 6.992 -8.258 1.00 64.11 C ATOM 0 H LEU A 132 -1.688 11.809 -7.668 1.00 53.01 H new ATOM 0 HA LEU A 132 0.617 10.393 -7.145 1.00 15.34 H new ATOM 0 HB2 LEU A 132 -1.673 9.476 -7.059 1.00 4.24 H new ATOM 0 HB3 LEU A 132 -1.832 9.630 -8.797 1.00 4.24 H new ATOM 0 HG LEU A 132 -0.035 7.945 -9.109 1.00 65.04 H new ATOM 0 HD11 LEU A 132 0.718 6.591 -7.191 1.00 74.44 H new ATOM 0 HD12 LEU A 132 1.208 8.295 -7.037 1.00 74.44 H new ATOM 0 HD13 LEU A 132 -0.164 7.674 -6.089 1.00 74.44 H new ATOM 0 HD21 LEU A 132 -1.354 5.984 -8.382 1.00 64.11 H new ATOM 0 HD22 LEU A 132 -2.339 7.041 -7.342 1.00 64.11 H new ATOM 0 HD23 LEU A 132 -2.381 7.241 -9.110 1.00 64.11 H new ATOM 2196 N GLN A 133 0.229 10.897 -10.400 1.00 22.53 N ATOM 2197 CA GLN A 133 0.927 10.867 -11.693 1.00 13.33 C ATOM 2198 C GLN A 133 2.251 11.647 -11.624 1.00 0.13 C ATOM 2199 O GLN A 133 3.292 11.167 -12.080 1.00 33.40 O ATOM 2200 CB GLN A 133 0.021 11.439 -12.796 1.00 21.44 C ATOM 2201 CG GLN A 133 0.634 11.407 -14.197 1.00 61.12 C ATOM 2202 CD GLN A 133 1.007 10.006 -14.657 1.00 45.23 C ATOM 2203 OE1 GLN A 133 0.198 9.288 -15.238 1.00 54.14 O ATOM 2204 NE2 GLN A 133 2.240 9.611 -14.422 1.00 1.40 N ATOM 0 H GLN A 133 -0.709 11.296 -10.439 1.00 22.53 H new ATOM 0 HA GLN A 133 1.162 9.830 -11.932 1.00 13.33 H new ATOM 0 HB2 GLN A 133 -0.914 10.878 -12.809 1.00 21.44 H new ATOM 0 HB3 GLN A 133 -0.229 12.470 -12.546 1.00 21.44 H new ATOM 0 HG2 GLN A 133 -0.073 11.839 -14.906 1.00 61.12 H new ATOM 0 HG3 GLN A 133 1.524 12.036 -14.211 1.00 61.12 H new ATOM 0 HE21 GLN A 133 2.890 10.230 -13.937 1.00 1.40 H new ATOM 0 HE22 GLN A 133 2.546 8.686 -14.725 1.00 1.40 H new ATOM 2213 N ALA A 134 2.204 12.841 -11.031 1.00 60.52 N ATOM 2214 CA ALA A 134 3.401 13.672 -10.852 1.00 62.25 C ATOM 2215 C ALA A 134 4.430 12.988 -9.935 1.00 32.11 C ATOM 2216 O ALA A 134 5.637 13.039 -10.189 1.00 52.10 O ATOM 2217 CB ALA A 134 3.013 15.038 -10.295 1.00 0.32 C ATOM 0 H ALA A 134 1.348 13.257 -10.665 1.00 60.52 H new ATOM 0 HA ALA A 134 3.867 13.806 -11.828 1.00 62.25 H new ATOM 0 HB1 ALA A 134 3.908 15.646 -10.166 1.00 0.32 H new ATOM 0 HB2 ALA A 134 2.334 15.534 -10.988 1.00 0.32 H new ATOM 0 HB3 ALA A 134 2.519 14.911 -9.332 1.00 0.32 H new ATOM 2223 N ALA A 135 3.940 12.342 -8.874 1.00 54.32 N ATOM 2224 CA ALA A 135 4.797 11.601 -7.938 1.00 72.22 C ATOM 2225 C ALA A 135 5.608 10.516 -8.660 1.00 33.13 C ATOM 2226 O ALA A 135 6.815 10.366 -8.450 1.00 13.31 O ATOM 2227 CB ALA A 135 3.942 10.962 -6.849 1.00 65.12 C ATOM 0 H ALA A 135 2.948 12.316 -8.639 1.00 54.32 H new ATOM 0 HA ALA A 135 5.497 12.308 -7.491 1.00 72.22 H new ATOM 0 HB1 ALA A 135 4.583 10.414 -6.158 1.00 65.12 H new ATOM 0 HB2 ALA A 135 3.404 11.739 -6.306 1.00 65.12 H new ATOM 0 HB3 ALA A 135 3.228 10.276 -7.303 1.00 65.12 H new ATOM 2233 N ILE A 136 4.926 9.767 -9.519 1.00 35.13 N ATOM 2234 CA ILE A 136 5.540 8.668 -10.265 1.00 14.23 C ATOM 2235 C ILE A 136 6.499 9.203 -11.330 1.00 24.31 C ATOM 2236 O ILE A 136 7.614 8.699 -11.500 1.00 61.53 O ATOM 2237 CB ILE A 136 4.451 7.810 -10.947 1.00 20.33 C ATOM 2238 CG1 ILE A 136 3.449 7.311 -9.892 1.00 74.14 C ATOM 2239 CG2 ILE A 136 5.076 6.637 -11.711 1.00 53.50 C ATOM 2240 CD1 ILE A 136 2.190 6.708 -10.469 1.00 52.12 C ATOM 0 H ILE A 136 3.935 9.901 -9.720 1.00 35.13 H new ATOM 0 HA ILE A 136 6.100 8.055 -9.559 1.00 14.23 H new ATOM 0 HB ILE A 136 3.919 8.426 -11.672 1.00 20.33 H new ATOM 0 HG12 ILE A 136 3.940 6.567 -9.264 1.00 74.14 H new ATOM 0 HG13 ILE A 136 3.176 8.144 -9.244 1.00 74.14 H new ATOM 0 HG21 ILE A 136 4.289 6.049 -12.182 1.00 53.50 H new ATOM 0 HG22 ILE A 136 5.750 7.020 -12.477 1.00 53.50 H new ATOM 0 HG23 ILE A 136 5.634 6.007 -11.018 1.00 53.50 H new ATOM 0 HD11 ILE A 136 1.538 6.382 -9.658 1.00 52.12 H new ATOM 0 HD12 ILE A 136 1.673 7.454 -11.073 1.00 52.12 H new ATOM 0 HD13 ILE A 136 2.449 5.853 -11.093 1.00 52.12 H new ATOM 2252 N ASP A 137 6.048 10.230 -12.039 1.00 15.32 N ATOM 2253 CA ASP A 137 6.859 10.906 -13.046 1.00 54.11 C ATOM 2254 C ASP A 137 8.194 11.394 -12.468 1.00 1.21 C ATOM 2255 O ASP A 137 9.252 11.175 -13.059 1.00 31.54 O ATOM 2256 CB ASP A 137 6.072 12.078 -13.635 1.00 50.32 C ATOM 2257 CG ASP A 137 5.412 11.718 -14.949 1.00 13.04 C ATOM 2258 OD1 ASP A 137 6.134 11.591 -15.961 1.00 14.51 O ATOM 2259 OD2 ASP A 137 4.184 11.532 -14.981 1.00 21.12 O ATOM 0 H ASP A 137 5.111 10.618 -11.933 1.00 15.32 H new ATOM 0 HA ASP A 137 7.090 10.189 -13.834 1.00 54.11 H new ATOM 0 HB2 ASP A 137 5.311 12.397 -12.923 1.00 50.32 H new ATOM 0 HB3 ASP A 137 6.742 12.924 -13.786 1.00 50.32 H new ATOM 2264 N SER A 138 8.131 12.042 -11.307 1.00 41.32 N ATOM 2265 CA SER A 138 9.334 12.550 -10.628 1.00 3.22 C ATOM 2266 C SER A 138 10.398 11.455 -10.460 1.00 25.32 C ATOM 2267 O SER A 138 11.592 11.711 -10.605 1.00 41.52 O ATOM 2268 CB SER A 138 8.973 13.126 -9.249 1.00 22.02 C ATOM 2269 OG SER A 138 8.060 14.211 -9.356 1.00 43.12 O ATOM 0 H SER A 138 7.260 12.231 -10.811 1.00 41.32 H new ATOM 0 HA SER A 138 9.749 13.338 -11.257 1.00 3.22 H new ATOM 0 HB2 SER A 138 8.536 12.342 -8.630 1.00 22.02 H new ATOM 0 HB3 SER A 138 9.880 13.461 -8.746 1.00 22.02 H new ATOM 0 HG SER A 138 7.186 13.876 -9.646 1.00 43.12 H new ATOM 2275 N ASN A 139 9.954 10.232 -10.168 1.00 72.15 N ATOM 2276 CA ASN A 139 10.866 9.104 -9.942 1.00 43.31 C ATOM 2277 C ASN A 139 11.352 8.461 -11.253 1.00 1.22 C ATOM 2278 O ASN A 139 12.552 8.247 -11.436 1.00 20.12 O ATOM 2279 CB ASN A 139 10.193 8.054 -9.054 1.00 21.30 C ATOM 2280 CG ASN A 139 10.129 8.493 -7.604 1.00 21.44 C ATOM 2281 OD1 ASN A 139 11.032 8.220 -6.826 1.00 1.33 O ATOM 2282 ND2 ASN A 139 9.076 9.187 -7.230 1.00 30.42 N ATOM 0 H ASN A 139 8.966 9.994 -10.082 1.00 72.15 H new ATOM 0 HA ASN A 139 11.747 9.501 -9.438 1.00 43.31 H new ATOM 0 HB2 ASN A 139 9.184 7.863 -9.420 1.00 21.30 H new ATOM 0 HB3 ASN A 139 10.741 7.114 -9.124 1.00 21.30 H new ATOM 0 HD21 ASN A 139 8.996 9.514 -6.267 1.00 30.42 H new ATOM 0 HD22 ASN A 139 8.339 9.399 -7.903 1.00 30.42 H new ATOM 2289 N ARG A 140 10.424 8.145 -12.164 1.00 41.33 N ATOM 2290 CA ARG A 140 10.785 7.492 -13.438 1.00 31.42 C ATOM 2291 C ARG A 140 11.672 8.397 -14.313 1.00 0.43 C ATOM 2292 O ARG A 140 12.400 7.922 -15.189 1.00 54.12 O ATOM 2293 CB ARG A 140 9.529 7.047 -14.216 1.00 52.40 C ATOM 2294 CG ARG A 140 8.621 8.180 -14.703 1.00 71.13 C ATOM 2295 CD ARG A 140 7.469 7.642 -15.557 1.00 13.31 C ATOM 2296 NE ARG A 140 6.526 8.686 -15.964 1.00 23.33 N ATOM 2297 CZ ARG A 140 5.541 8.502 -16.811 1.00 1.24 C ATOM 2298 NH1 ARG A 140 5.380 7.360 -17.399 1.00 32.12 N ATOM 2299 NH2 ARG A 140 4.725 9.470 -17.075 1.00 14.41 N ATOM 0 H ARG A 140 9.427 8.326 -12.050 1.00 41.33 H new ATOM 0 HA ARG A 140 11.363 6.603 -13.187 1.00 31.42 H new ATOM 0 HB2 ARG A 140 9.846 6.462 -15.079 1.00 52.40 H new ATOM 0 HB3 ARG A 140 8.944 6.384 -13.579 1.00 52.40 H new ATOM 0 HG2 ARG A 140 8.219 8.721 -13.846 1.00 71.13 H new ATOM 0 HG3 ARG A 140 9.206 8.893 -15.285 1.00 71.13 H new ATOM 0 HD2 ARG A 140 7.876 7.161 -16.446 1.00 13.31 H new ATOM 0 HD3 ARG A 140 6.935 6.875 -14.996 1.00 13.31 H new ATOM 0 HE ARG A 140 6.643 9.617 -15.563 1.00 23.33 H new ATOM 0 HH11 ARG A 140 6.022 6.592 -17.206 1.00 32.12 H new ATOM 0 HH12 ARG A 140 4.611 7.228 -18.056 1.00 32.12 H new ATOM 0 HH21 ARG A 140 4.847 10.377 -16.625 1.00 14.41 H new ATOM 0 HH22 ARG A 140 3.959 9.326 -17.734 1.00 14.41 H new ATOM 2313 N ARG A 141 11.593 9.702 -14.070 1.00 33.11 N ATOM 2314 CA ARG A 141 12.393 10.693 -14.798 1.00 34.52 C ATOM 2315 C ARG A 141 13.889 10.628 -14.418 1.00 74.22 C ATOM 2316 O ARG A 141 14.748 11.059 -15.186 1.00 53.34 O ATOM 2317 CB ARG A 141 11.831 12.094 -14.506 1.00 51.44 C ATOM 2318 CG ARG A 141 12.541 13.240 -15.225 1.00 64.35 C ATOM 2319 CD ARG A 141 11.868 14.578 -14.927 1.00 42.32 C ATOM 2320 NE ARG A 141 12.552 15.705 -15.559 1.00 31.22 N ATOM 2321 CZ ARG A 141 12.037 16.899 -15.669 1.00 13.41 C ATOM 2322 NH1 ARG A 141 10.854 17.156 -15.209 1.00 33.44 N ATOM 2323 NH2 ARG A 141 12.712 17.841 -16.234 1.00 30.24 N ATOM 0 H ARG A 141 10.976 10.106 -13.366 1.00 33.11 H new ATOM 0 HA ARG A 141 12.327 10.472 -15.863 1.00 34.52 H new ATOM 0 HB2 ARG A 141 10.777 12.110 -14.782 1.00 51.44 H new ATOM 0 HB3 ARG A 141 11.882 12.272 -13.432 1.00 51.44 H new ATOM 0 HG2 ARG A 141 13.585 13.277 -14.914 1.00 64.35 H new ATOM 0 HG3 ARG A 141 12.535 13.058 -16.300 1.00 64.35 H new ATOM 0 HD2 ARG A 141 10.835 14.545 -15.272 1.00 42.32 H new ATOM 0 HD3 ARG A 141 11.839 14.734 -13.849 1.00 42.32 H new ATOM 0 HE ARG A 141 13.487 15.549 -15.936 1.00 31.22 H new ATOM 0 HH11 ARG A 141 10.313 16.421 -14.754 1.00 33.44 H new ATOM 0 HH12 ARG A 141 10.463 18.094 -15.302 1.00 33.44 H new ATOM 0 HH21 ARG A 141 13.647 17.653 -16.594 1.00 30.24 H new ATOM 0 HH22 ARG A 141 12.311 18.775 -16.321 1.00 30.24 H new ATOM 2337 N GLU A 142 14.198 10.069 -13.247 1.00 60.24 N ATOM 2338 CA GLU A 142 15.571 10.094 -12.707 1.00 21.34 C ATOM 2339 C GLU A 142 16.428 8.891 -13.153 1.00 30.43 C ATOM 2340 O GLU A 142 15.917 7.795 -13.386 1.00 72.34 O ATOM 2341 CB GLU A 142 15.537 10.108 -11.170 1.00 13.31 C ATOM 2342 CG GLU A 142 14.705 11.229 -10.562 1.00 63.53 C ATOM 2343 CD GLU A 142 14.785 11.260 -9.042 1.00 24.12 C ATOM 2344 OE1 GLU A 142 14.302 10.306 -8.389 1.00 73.52 O ATOM 2345 OE2 GLU A 142 15.332 12.237 -8.487 1.00 61.02 O ATOM 0 H GLU A 142 13.522 9.593 -12.650 1.00 60.24 H new ATOM 0 HA GLU A 142 16.028 11.000 -13.104 1.00 21.34 H new ATOM 0 HB2 GLU A 142 15.146 9.153 -10.820 1.00 13.31 H new ATOM 0 HB3 GLU A 142 16.558 10.189 -10.798 1.00 13.31 H new ATOM 0 HG2 GLU A 142 15.045 12.185 -10.959 1.00 63.53 H new ATOM 0 HG3 GLU A 142 13.665 11.110 -10.865 1.00 63.53 H new ATOM 2352 N GLY A 143 17.742 9.116 -13.254 1.00 31.20 N ATOM 2353 CA GLY A 143 18.704 8.020 -13.370 1.00 65.35 C ATOM 2354 C GLY A 143 18.867 7.425 -14.771 1.00 11.23 C ATOM 2355 O GLY A 143 18.547 6.254 -14.985 1.00 53.14 O ATOM 0 H GLY A 143 18.161 10.046 -13.258 1.00 31.20 H new ATOM 0 HA2 GLY A 143 19.677 8.377 -13.032 1.00 65.35 H new ATOM 0 HA3 GLY A 143 18.403 7.223 -12.690 1.00 65.35 H new ATOM 2359 N ARG A 144 19.381 8.222 -15.718 1.00 25.45 N ATOM 2360 CA ARG A 144 19.772 7.711 -17.047 1.00 63.52 C ATOM 2361 C ARG A 144 20.314 8.823 -17.956 1.00 25.43 C ATOM 2362 O ARG A 144 20.268 10.008 -17.618 1.00 21.43 O ATOM 2363 CB ARG A 144 18.601 7.021 -17.774 1.00 11.53 C ATOM 2364 CG ARG A 144 17.446 7.953 -18.143 1.00 24.54 C ATOM 2365 CD ARG A 144 16.686 7.446 -19.367 1.00 42.31 C ATOM 2366 NE ARG A 144 17.541 7.437 -20.559 1.00 52.31 N ATOM 2367 CZ ARG A 144 17.568 6.482 -21.449 1.00 63.22 C ATOM 2368 NH1 ARG A 144 16.780 5.459 -21.349 1.00 1.22 N ATOM 2369 NH2 ARG A 144 18.391 6.556 -22.445 1.00 15.30 N ATOM 0 H ARG A 144 19.537 9.222 -15.592 1.00 25.45 H new ATOM 0 HA ARG A 144 20.559 6.981 -16.855 1.00 63.52 H new ATOM 0 HB2 ARG A 144 18.979 6.554 -18.683 1.00 11.53 H new ATOM 0 HB3 ARG A 144 18.218 6.221 -17.141 1.00 11.53 H new ATOM 0 HG2 ARG A 144 16.762 8.038 -17.299 1.00 24.54 H new ATOM 0 HG3 ARG A 144 17.833 8.952 -18.342 1.00 24.54 H new ATOM 0 HD2 ARG A 144 16.314 6.439 -19.176 1.00 42.31 H new ATOM 0 HD3 ARG A 144 15.816 8.078 -19.545 1.00 42.31 H new ATOM 0 HE ARG A 144 18.160 8.235 -20.703 1.00 52.31 H new ATOM 0 HH11 ARG A 144 16.128 5.392 -20.568 1.00 1.22 H new ATOM 0 HH12 ARG A 144 16.812 4.720 -22.052 1.00 1.22 H new ATOM 0 HH21 ARG A 144 19.015 7.358 -22.532 1.00 15.30 H new ATOM 0 HH22 ARG A 144 18.416 5.812 -23.143 1.00 15.30 H new ATOM 2383 N ARG A 145 20.838 8.418 -19.111 1.00 32.24 N ATOM 2384 CA ARG A 145 21.191 9.353 -20.191 1.00 72.10 C ATOM 2385 C ARG A 145 20.332 9.066 -21.438 1.00 33.24 C ATOM 2386 O ARG A 145 19.251 9.676 -21.579 1.00 37.29 O ATOM 2387 CB ARG A 145 22.685 9.251 -20.544 1.00 31.50 C ATOM 2388 CG ARG A 145 23.627 9.642 -19.409 1.00 2.12 C ATOM 2389 CD ARG A 145 25.088 9.588 -19.854 1.00 44.13 C ATOM 2390 NE ARG A 145 25.368 10.516 -20.951 1.00 43.44 N ATOM 2391 CZ ARG A 145 25.895 10.169 -22.098 1.00 4.43 C ATOM 2392 NH1 ARG A 145 26.201 8.933 -22.343 1.00 21.22 N ATOM 2393 NH2 ARG A 145 26.117 11.062 -23.007 1.00 74.24 N ATOM 2394 OXT ARG A 145 20.717 8.196 -22.251 1.00 37.29 O ATOM 0 H ARG A 145 21.031 7.441 -19.329 1.00 32.24 H new ATOM 0 HA ARG A 145 20.993 10.367 -19.843 1.00 72.10 H new ATOM 0 HB2 ARG A 145 22.906 8.227 -20.847 1.00 31.50 H new ATOM 0 HB3 ARG A 145 22.887 9.889 -21.404 1.00 31.50 H new ATOM 0 HG2 ARG A 145 23.387 10.648 -19.065 1.00 2.12 H new ATOM 0 HG3 ARG A 145 23.478 8.971 -18.563 1.00 2.12 H new ATOM 0 HD2 ARG A 145 25.733 9.824 -19.007 1.00 44.13 H new ATOM 0 HD3 ARG A 145 25.333 8.573 -20.168 1.00 44.13 H new ATOM 0 HE ARG A 145 25.137 11.500 -20.812 1.00 43.44 H new ATOM 0 HH11 ARG A 145 26.032 8.216 -21.637 1.00 21.22 H new ATOM 0 HH12 ARG A 145 26.611 8.678 -23.241 1.00 21.22 H new ATOM 0 HH21 ARG A 145 25.881 12.039 -22.831 1.00 74.24 H new ATOM 0 HH22 ARG A 145 26.528 10.790 -23.900 1.00 74.24 H new TER 2408 ARG A 145