USER MOD reduce.3.24.130724 H: found=0, std=0, add=1153, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1153 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 131 HIS : no HD1:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Set 1.2: A 132 HIS : no HD1:sc= -0.0181 X(o=-1.3,f=-1.3) USER MOD Set 2.1: A 129 HIS : no HD1:sc= 0 X(o=0.03,f=0.018) USER MOD Set 2.2: A 133 HIS : no HE2:sc= 0.03 X(o=0.03,f=-0.28) USER MOD Set 3.1: A 65 LYS NZ :NH3+ 144:sc= -0.325 (180deg=0) USER MOD Set 3.2: A 100 GLN : amide:sc= -2.79! K(o=-3.1!,f=-4.1) USER MOD Set 4.1: A 9 THR OG1 : rot 75:sc= 0.218 USER MOD Set 4.2: A 83 GLN : amide:sc= -1.05 K(o=-0.83,f=-1.4) USER MOD Set 5.1: A 8 ASN : amide:sc= -0.601 K(o=-0.3,f=-1.6) USER MOD Set 5.2: A 61 LYS NZ :NH3+ 179:sc= 0.296 (180deg=0.292) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.154 (180deg=-0.599) USER MOD Single : A 1 MET N :NH3+ -129:sc=-0.00434 (180deg=-0.147) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.112 (180deg=-0.681) USER MOD Single : A 10 ASN :FLIP amide:sc= -0.05 F(o=-0.6,f=-0.05) USER MOD Single : A 11 ASN : amide:sc= -0.0752 K(o=-0.075,f=-6.2!) USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= -0.0046 (180deg=-0.0556) USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0.599 (180deg=0.568) USER MOD Single : A 19 LYS NZ :NH3+ 160:sc= 0.716 (180deg=0.519) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.11 (180deg=0.0955) USER MOD Single : A 24 ASN : amide:sc= -0.032 K(o=-0.032,f=-0.62) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0768 USER MOD Single : A 28 GLN :FLIP amide:sc= -1.77 F(o=-3.4!,f=-1.8) USER MOD Single : A 33 ASN : amide:sc= 0.244 X(o=0.24,f=0) USER MOD Single : A 35 SER OG : rot -85:sc= 0.251 USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= 0.754 (180deg=0.473) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc=-0.00444 (180deg=-0.117) USER MOD Single : A 42 MET CE :methyl -166:sc= -0.0739 (180deg=-0.322) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 0.0653 (180deg=0.0649) USER MOD Single : A 44 LYS NZ :NH3+ -135:sc= 0.28 (180deg=-0.305) USER MOD Single : A 49 LYS NZ :NH3+ -150:sc= 1.24 (180deg=0.703) USER MOD Single : A 50 ASN : amide:sc= -0.034 K(o=-0.034,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 1.2 (180deg=0.598) USER MOD Single : A 58 SER OG : rot 54:sc=-0.00388 USER MOD Single : A 59 ASN : amide:sc= -0.0561 K(o=-0.056,f=-3.5!) USER MOD Single : A 62 GLN : amide:sc= -0.608 K(o=-0.61,f=-4.6!) USER MOD Single : A 67 MET CE :methyl -110:sc= -0.257 (180deg=-1.14) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0123) USER MOD Single : A 76 TYR OH : rot 151:sc= -0.509 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0.0549 X(o=0.055,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= 0.658 (180deg=-1.01) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 166:sc= -0.46 USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= 0.715 (180deg=-0.422) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= 0.338 (180deg=-0.145) USER MOD Single : A 121 MET CE :methyl -127:sc= -0.276 (180deg=-0.7) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 54:sc= 1.29 USER MOD Single : A 130 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0.005) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.308 10.960 2.914 1.00 2.14 N ATOM 2 CA MET A 1 -12.492 10.429 4.034 1.00 4.42 C ATOM 3 C MET A 1 -12.561 8.886 4.060 1.00 55.25 C ATOM 4 O MET A 1 -13.477 8.306 4.651 1.00 73.44 O ATOM 5 CB MET A 1 -12.971 11.018 5.397 1.00 12.25 C ATOM 6 CG MET A 1 -12.917 12.550 5.489 1.00 43.41 C ATOM 7 SD MET A 1 -13.537 13.189 7.066 1.00 74.54 S ATOM 8 CE MET A 1 -15.245 12.640 7.032 1.00 64.33 C ATOM 0 H1 MET A 1 -12.737 11.625 2.353 1.00 2.14 H new ATOM 0 H2 MET A 1 -13.619 10.174 2.308 1.00 2.14 H new ATOM 0 H3 MET A 1 -14.140 11.454 3.295 1.00 2.14 H new ATOM 0 HA MET A 1 -11.457 10.732 3.878 1.00 4.42 H new ATOM 0 HB2 MET A 1 -13.996 10.693 5.578 1.00 12.25 H new ATOM 0 HB3 MET A 1 -12.358 10.598 6.194 1.00 12.25 H new ATOM 0 HG2 MET A 1 -11.888 12.880 5.349 1.00 43.41 H new ATOM 0 HG3 MET A 1 -13.502 12.978 4.675 1.00 43.41 H new ATOM 0 HE1 MET A 1 -15.829 13.225 7.742 1.00 64.33 H new ATOM 0 HE2 MET A 1 -15.651 12.775 6.029 1.00 64.33 H new ATOM 0 HE3 MET A 1 -15.294 11.586 7.304 1.00 64.33 H new ATOM 20 N LYS A 2 -11.612 8.241 3.359 1.00 33.41 N ATOM 21 CA LYS A 2 -11.390 6.777 3.408 1.00 33.24 C ATOM 22 C LYS A 2 -9.885 6.537 3.490 1.00 34.42 C ATOM 23 O LYS A 2 -9.109 7.410 3.124 1.00 1.11 O ATOM 24 CB LYS A 2 -11.970 6.053 2.155 1.00 14.33 C ATOM 25 CG LYS A 2 -13.500 6.206 1.955 1.00 5.03 C ATOM 26 CD LYS A 2 -14.030 5.438 0.719 1.00 20.33 C ATOM 27 CE LYS A 2 -13.740 3.937 0.793 1.00 5.31 C ATOM 28 NZ LYS A 2 -14.458 3.181 -0.266 1.00 3.54 N ATOM 0 H LYS A 2 -10.967 8.724 2.733 1.00 33.41 H new ATOM 0 HA LYS A 2 -11.906 6.370 4.278 1.00 33.24 H new ATOM 0 HB2 LYS A 2 -11.464 6.434 1.268 1.00 14.33 H new ATOM 0 HB3 LYS A 2 -11.733 4.991 2.226 1.00 14.33 H new ATOM 0 HG2 LYS A 2 -14.015 5.848 2.846 1.00 5.03 H new ATOM 0 HG3 LYS A 2 -13.743 7.263 1.850 1.00 5.03 H new ATOM 0 HD2 LYS A 2 -15.105 5.593 0.633 1.00 20.33 H new ATOM 0 HD3 LYS A 2 -13.575 5.849 -0.182 1.00 20.33 H new ATOM 0 HE2 LYS A 2 -12.667 3.769 0.695 1.00 5.31 H new ATOM 0 HE3 LYS A 2 -14.034 3.558 1.772 1.00 5.31 H new ATOM 0 HZ1 LYS A 2 -14.476 2.171 -0.020 1.00 3.54 H new ATOM 0 HZ2 LYS A 2 -15.433 3.535 -0.345 1.00 3.54 H new ATOM 0 HZ3 LYS A 2 -13.969 3.307 -1.175 1.00 3.54 H new ATOM 42 N GLU A 3 -9.457 5.369 3.970 1.00 0.50 N ATOM 43 CA GLU A 3 -8.017 5.070 4.113 1.00 24.31 C ATOM 44 C GLU A 3 -7.589 4.024 3.079 1.00 1.24 C ATOM 45 O GLU A 3 -8.249 2.998 2.894 1.00 52.02 O ATOM 46 CB GLU A 3 -7.666 4.606 5.549 1.00 45.53 C ATOM 47 CG GLU A 3 -7.978 5.634 6.676 1.00 41.04 C ATOM 48 CD GLU A 3 -9.335 5.410 7.378 1.00 42.21 C ATOM 49 OE1 GLU A 3 -10.400 5.630 6.757 1.00 14.14 O ATOM 50 OE2 GLU A 3 -9.340 5.012 8.559 1.00 13.43 O ATOM 0 H GLU A 3 -10.076 4.614 4.267 1.00 0.50 H new ATOM 0 HA GLU A 3 -7.464 5.991 3.930 1.00 24.31 H new ATOM 0 HB2 GLU A 3 -8.211 3.685 5.759 1.00 45.53 H new ATOM 0 HB3 GLU A 3 -6.604 4.363 5.585 1.00 45.53 H new ATOM 0 HG2 GLU A 3 -7.184 5.591 7.422 1.00 41.04 H new ATOM 0 HG3 GLU A 3 -7.962 6.638 6.251 1.00 41.04 H new ATOM 57 N LEU A 4 -6.495 4.322 2.382 1.00 31.35 N ATOM 58 CA LEU A 4 -5.911 3.457 1.350 1.00 54.31 C ATOM 59 C LEU A 4 -4.479 3.122 1.788 1.00 71.21 C ATOM 60 O LEU A 4 -3.626 4.009 1.835 1.00 51.03 O ATOM 61 CB LEU A 4 -5.917 4.182 -0.043 1.00 42.24 C ATOM 62 CG LEU A 4 -7.202 4.036 -0.937 1.00 11.33 C ATOM 63 CD1 LEU A 4 -7.395 2.580 -1.394 1.00 63.50 C ATOM 64 CD2 LEU A 4 -8.475 4.586 -0.251 1.00 44.13 C ATOM 0 H LEU A 4 -5.976 5.189 2.519 1.00 31.35 H new ATOM 0 HA LEU A 4 -6.494 2.543 1.239 1.00 54.31 H new ATOM 0 HB2 LEU A 4 -5.749 5.245 0.131 1.00 42.24 H new ATOM 0 HB3 LEU A 4 -5.066 3.814 -0.616 1.00 42.24 H new ATOM 0 HG LEU A 4 -7.040 4.652 -1.821 1.00 11.33 H new ATOM 0 HD11 LEU A 4 -8.291 2.508 -2.011 1.00 63.50 H new ATOM 0 HD12 LEU A 4 -6.529 2.263 -1.974 1.00 63.50 H new ATOM 0 HD13 LEU A 4 -7.502 1.936 -0.521 1.00 63.50 H new ATOM 0 HD21 LEU A 4 -9.330 4.458 -0.915 1.00 44.13 H new ATOM 0 HD22 LEU A 4 -8.652 4.042 0.677 1.00 44.13 H new ATOM 0 HD23 LEU A 4 -8.341 5.645 -0.031 1.00 44.13 H new ATOM 76 N ILE A 5 -4.237 1.850 2.130 1.00 2.10 N ATOM 77 CA ILE A 5 -2.904 1.356 2.536 1.00 34.40 C ATOM 78 C ILE A 5 -2.276 0.572 1.369 1.00 34.04 C ATOM 79 O ILE A 5 -2.815 -0.446 0.927 1.00 25.30 O ATOM 80 CB ILE A 5 -2.981 0.463 3.844 1.00 31.13 C ATOM 81 CG1 ILE A 5 -1.606 -0.230 4.145 1.00 41.15 C ATOM 82 CG2 ILE A 5 -4.137 -0.559 3.776 1.00 3.42 C ATOM 83 CD1 ILE A 5 -1.573 -1.099 5.395 1.00 12.33 C ATOM 0 H ILE A 5 -4.958 1.129 2.135 1.00 2.10 H new ATOM 0 HA ILE A 5 -2.275 2.213 2.777 1.00 34.40 H new ATOM 0 HB ILE A 5 -3.199 1.129 4.679 1.00 31.13 H new ATOM 0 HG12 ILE A 5 -1.333 -0.845 3.288 1.00 41.15 H new ATOM 0 HG13 ILE A 5 -0.842 0.542 4.239 1.00 41.15 H new ATOM 0 HG21 ILE A 5 -4.154 -1.150 4.692 1.00 3.42 H new ATOM 0 HG22 ILE A 5 -5.084 -0.030 3.668 1.00 3.42 H new ATOM 0 HG23 ILE A 5 -3.990 -1.219 2.921 1.00 3.42 H new ATOM 0 HD11 ILE A 5 -0.579 -1.531 5.512 1.00 12.33 H new ATOM 0 HD12 ILE A 5 -1.809 -0.490 6.268 1.00 12.33 H new ATOM 0 HD13 ILE A 5 -2.307 -1.899 5.301 1.00 12.33 H new ATOM 95 N LEU A 6 -1.151 1.078 0.852 1.00 40.14 N ATOM 96 CA LEU A 6 -0.417 0.457 -0.257 1.00 74.40 C ATOM 97 C LEU A 6 0.809 -0.269 0.307 1.00 33.32 C ATOM 98 O LEU A 6 1.628 0.344 0.981 1.00 42.54 O ATOM 99 CB LEU A 6 0.019 1.521 -1.306 1.00 61.41 C ATOM 100 CG LEU A 6 -1.124 2.263 -2.089 1.00 30.33 C ATOM 101 CD1 LEU A 6 -1.902 3.276 -1.214 1.00 44.42 C ATOM 102 CD2 LEU A 6 -0.562 2.942 -3.348 1.00 35.42 C ATOM 0 H LEU A 6 -0.720 1.937 1.194 1.00 40.14 H new ATOM 0 HA LEU A 6 -1.069 -0.255 -0.763 1.00 74.40 H new ATOM 0 HB2 LEU A 6 0.622 2.272 -0.796 1.00 61.41 H new ATOM 0 HB3 LEU A 6 0.666 1.033 -2.034 1.00 61.41 H new ATOM 0 HG LEU A 6 -1.845 1.501 -2.387 1.00 30.33 H new ATOM 0 HD11 LEU A 6 -2.677 3.754 -1.813 1.00 44.42 H new ATOM 0 HD12 LEU A 6 -2.362 2.754 -0.375 1.00 44.42 H new ATOM 0 HD13 LEU A 6 -1.215 4.034 -0.837 1.00 44.42 H new ATOM 0 HD21 LEU A 6 -1.368 3.451 -3.877 1.00 35.42 H new ATOM 0 HD22 LEU A 6 0.199 3.668 -3.061 1.00 35.42 H new ATOM 0 HD23 LEU A 6 -0.118 2.190 -4.000 1.00 35.42 H new ATOM 114 N ILE A 7 0.910 -1.582 0.058 1.00 54.22 N ATOM 115 CA ILE A 7 2.062 -2.405 0.464 1.00 13.23 C ATOM 116 C ILE A 7 2.972 -2.597 -0.760 1.00 72.31 C ATOM 117 O ILE A 7 2.485 -2.751 -1.881 1.00 35.24 O ATOM 118 CB ILE A 7 1.649 -3.824 1.054 1.00 32.14 C ATOM 119 CG1 ILE A 7 0.846 -3.698 2.398 1.00 43.41 C ATOM 120 CG2 ILE A 7 2.892 -4.727 1.276 1.00 65.14 C ATOM 121 CD1 ILE A 7 -0.558 -3.154 2.271 1.00 14.11 C ATOM 0 H ILE A 7 0.189 -2.109 -0.435 1.00 54.22 H new ATOM 0 HA ILE A 7 2.578 -1.880 1.268 1.00 13.23 H new ATOM 0 HB ILE A 7 0.999 -4.286 0.311 1.00 32.14 H new ATOM 0 HG12 ILE A 7 0.794 -4.682 2.863 1.00 43.41 H new ATOM 0 HG13 ILE A 7 1.406 -3.054 3.076 1.00 43.41 H new ATOM 0 HG21 ILE A 7 2.576 -5.689 1.680 1.00 65.14 H new ATOM 0 HG22 ILE A 7 3.403 -4.883 0.326 1.00 65.14 H new ATOM 0 HG23 ILE A 7 3.571 -4.244 1.979 1.00 65.14 H new ATOM 0 HD11 ILE A 7 -1.021 -3.109 3.257 1.00 14.11 H new ATOM 0 HD12 ILE A 7 -0.523 -2.153 1.840 1.00 14.11 H new ATOM 0 HD13 ILE A 7 -1.144 -3.807 1.624 1.00 14.11 H new ATOM 133 N ASN A 8 4.291 -2.562 -0.537 1.00 55.35 N ATOM 134 CA ASN A 8 5.296 -2.833 -1.565 1.00 23.03 C ATOM 135 C ASN A 8 6.038 -4.124 -1.205 1.00 41.44 C ATOM 136 O ASN A 8 6.830 -4.149 -0.256 1.00 13.33 O ATOM 137 CB ASN A 8 6.283 -1.644 -1.656 1.00 61.52 C ATOM 138 CG ASN A 8 7.309 -1.751 -2.789 1.00 51.20 C ATOM 139 OD1 ASN A 8 8.443 -1.301 -2.644 1.00 73.32 O ATOM 140 ND2 ASN A 8 6.910 -2.282 -3.941 1.00 34.00 N ATOM 0 H ASN A 8 4.693 -2.342 0.374 1.00 55.35 H new ATOM 0 HA ASN A 8 4.816 -2.955 -2.536 1.00 23.03 H new ATOM 0 HB2 ASN A 8 5.712 -0.724 -1.786 1.00 61.52 H new ATOM 0 HB3 ASN A 8 6.815 -1.557 -0.709 1.00 61.52 H new ATOM 0 HD21 ASN A 8 7.552 -2.323 -4.733 1.00 34.00 H new ATOM 0 HD22 ASN A 8 5.962 -2.648 -4.033 1.00 34.00 H new ATOM 147 N THR A 9 5.744 -5.198 -1.949 1.00 33.42 N ATOM 148 CA THR A 9 6.423 -6.490 -1.812 1.00 71.34 C ATOM 149 C THR A 9 6.523 -7.176 -3.183 1.00 51.51 C ATOM 150 O THR A 9 5.538 -7.253 -3.929 1.00 61.34 O ATOM 151 CB THR A 9 5.730 -7.429 -0.759 1.00 24.31 C ATOM 152 OG1 THR A 9 6.341 -8.737 -0.761 1.00 0.42 O ATOM 153 CG2 THR A 9 4.220 -7.563 -0.983 1.00 62.34 C ATOM 0 H THR A 9 5.021 -5.193 -2.669 1.00 33.42 H new ATOM 0 HA THR A 9 7.427 -6.296 -1.434 1.00 71.34 H new ATOM 0 HB THR A 9 5.874 -6.958 0.213 1.00 24.31 H new ATOM 0 HG1 THR A 9 7.209 -8.693 -0.309 1.00 0.42 H new ATOM 0 HG21 THR A 9 3.797 -8.223 -0.226 1.00 62.34 H new ATOM 0 HG22 THR A 9 3.753 -6.581 -0.910 1.00 62.34 H new ATOM 0 HG23 THR A 9 4.035 -7.980 -1.973 1.00 62.34 H new ATOM 161 N ASN A 10 7.735 -7.644 -3.513 1.00 61.15 N ATOM 162 CA ASN A 10 8.023 -8.420 -4.736 1.00 64.14 C ATOM 163 C ASN A 10 7.955 -9.928 -4.429 1.00 41.04 C ATOM 164 O ASN A 10 8.039 -10.766 -5.333 1.00 21.23 O ATOM 165 CB ASN A 10 9.424 -8.058 -5.283 1.00 30.34 C ATOM 166 CG ASN A 10 9.597 -6.563 -5.561 1.00 64.13 C ATOM 167 OD1 ASN A 10 9.222 -6.120 -6.747 1.00 72.10 O flip ATOM 168 ND2 ASN A 10 10.055 -5.809 -4.708 1.00 73.24 N flip ATOM 0 H ASN A 10 8.559 -7.494 -2.931 1.00 61.15 H new ATOM 0 HA ASN A 10 7.276 -8.174 -5.491 1.00 64.14 H new ATOM 0 HB2 ASN A 10 10.180 -8.377 -4.566 1.00 30.34 H new ATOM 0 HB3 ASN A 10 9.602 -8.615 -6.203 1.00 30.34 H new ATOM 0 HD21 ASN A 10 10.337 -6.178 -3.800 1.00 73.24 H new ATOM 0 HD22 ASN A 10 10.154 -4.814 -4.907 1.00 73.24 H new ATOM 175 N ASN A 11 7.794 -10.249 -3.137 1.00 42.51 N ATOM 176 CA ASN A 11 7.776 -11.622 -2.619 1.00 14.22 C ATOM 177 C ASN A 11 6.368 -12.224 -2.815 1.00 33.14 C ATOM 178 O ASN A 11 5.420 -11.782 -2.166 1.00 55.02 O ATOM 179 CB ASN A 11 8.178 -11.585 -1.114 1.00 42.40 C ATOM 180 CG ASN A 11 8.306 -12.955 -0.425 1.00 64.45 C ATOM 181 OD1 ASN A 11 7.650 -13.934 -0.779 1.00 22.43 O ATOM 182 ND2 ASN A 11 9.149 -13.027 0.588 1.00 51.23 N ATOM 0 H ASN A 11 7.670 -9.545 -2.409 1.00 42.51 H new ATOM 0 HA ASN A 11 8.485 -12.251 -3.156 1.00 14.22 H new ATOM 0 HB2 ASN A 11 9.131 -11.063 -1.024 1.00 42.40 H new ATOM 0 HB3 ASN A 11 7.438 -10.994 -0.573 1.00 42.40 H new ATOM 0 HD21 ASN A 11 9.266 -13.906 1.093 1.00 51.23 H new ATOM 0 HD22 ASN A 11 9.684 -12.204 0.866 1.00 51.23 H new ATOM 189 N ASP A 12 6.276 -13.248 -3.688 1.00 64.44 N ATOM 190 CA ASP A 12 5.003 -13.920 -4.068 1.00 24.43 C ATOM 191 C ASP A 12 4.296 -14.504 -2.834 1.00 31.30 C ATOM 192 O ASP A 12 3.085 -14.323 -2.635 1.00 32.51 O ATOM 193 CB ASP A 12 5.281 -15.084 -5.063 1.00 75.54 C ATOM 194 CG ASP A 12 6.049 -14.664 -6.324 1.00 64.31 C ATOM 195 OD1 ASP A 12 7.256 -14.363 -6.213 1.00 12.31 O ATOM 196 OD2 ASP A 12 5.465 -14.661 -7.432 1.00 11.34 O ATOM 0 H ASP A 12 7.091 -13.641 -4.159 1.00 64.44 H new ATOM 0 HA ASP A 12 4.365 -13.168 -4.533 1.00 24.43 H new ATOM 0 HB2 ASP A 12 5.847 -15.860 -4.548 1.00 75.54 H new ATOM 0 HB3 ASP A 12 4.331 -15.527 -5.361 1.00 75.54 H new ATOM 201 N GLU A 13 5.108 -15.200 -2.019 1.00 44.22 N ATOM 202 CA GLU A 13 4.673 -15.915 -0.813 1.00 63.34 C ATOM 203 C GLU A 13 4.114 -14.926 0.218 1.00 55.14 C ATOM 204 O GLU A 13 3.071 -15.183 0.817 1.00 41.22 O ATOM 205 CB GLU A 13 5.874 -16.716 -0.229 1.00 65.34 C ATOM 206 CG GLU A 13 6.501 -17.707 -1.237 1.00 11.55 C ATOM 207 CD GLU A 13 7.825 -18.323 -0.752 1.00 2.01 C ATOM 208 OE1 GLU A 13 8.878 -17.665 -0.890 1.00 74.12 O ATOM 209 OE2 GLU A 13 7.825 -19.467 -0.246 1.00 33.11 O ATOM 0 H GLU A 13 6.111 -15.281 -2.188 1.00 44.22 H new ATOM 0 HA GLU A 13 3.877 -16.614 -1.068 1.00 63.34 H new ATOM 0 HB2 GLU A 13 6.640 -16.016 0.105 1.00 65.34 H new ATOM 0 HB3 GLU A 13 5.540 -17.267 0.651 1.00 65.34 H new ATOM 0 HG2 GLU A 13 5.789 -18.508 -1.437 1.00 11.55 H new ATOM 0 HG3 GLU A 13 6.674 -17.191 -2.181 1.00 11.55 H new ATOM 216 N LEU A 14 4.795 -13.765 0.368 1.00 45.41 N ATOM 217 CA LEU A 14 4.406 -12.744 1.348 1.00 1.30 C ATOM 218 C LEU A 14 3.091 -12.058 0.946 1.00 51.45 C ATOM 219 O LEU A 14 2.284 -11.774 1.823 1.00 15.43 O ATOM 220 CB LEU A 14 5.509 -11.682 1.558 1.00 63.00 C ATOM 221 CG LEU A 14 5.160 -10.555 2.594 1.00 33.23 C ATOM 222 CD1 LEU A 14 4.891 -11.127 4.005 1.00 23.53 C ATOM 223 CD2 LEU A 14 6.237 -9.469 2.621 1.00 50.21 C ATOM 0 H LEU A 14 5.618 -13.519 -0.183 1.00 45.41 H new ATOM 0 HA LEU A 14 4.259 -13.266 2.294 1.00 1.30 H new ATOM 0 HB2 LEU A 14 6.419 -12.185 1.885 1.00 63.00 H new ATOM 0 HB3 LEU A 14 5.730 -11.216 0.598 1.00 63.00 H new ATOM 0 HG LEU A 14 4.233 -10.089 2.261 1.00 33.23 H new ATOM 0 HD11 LEU A 14 4.654 -10.312 4.689 1.00 23.53 H new ATOM 0 HD12 LEU A 14 4.052 -11.821 3.962 1.00 23.53 H new ATOM 0 HD13 LEU A 14 5.778 -11.652 4.360 1.00 23.53 H new ATOM 0 HD21 LEU A 14 5.965 -8.704 3.348 1.00 50.21 H new ATOM 0 HD22 LEU A 14 7.193 -9.912 2.901 1.00 50.21 H new ATOM 0 HD23 LEU A 14 6.322 -9.016 1.633 1.00 50.21 H new ATOM 235 N ILE A 15 2.874 -11.813 -0.378 1.00 23.10 N ATOM 236 CA ILE A 15 1.618 -11.198 -0.876 1.00 12.21 C ATOM 237 C ILE A 15 0.418 -12.035 -0.388 1.00 62.10 C ATOM 238 O ILE A 15 -0.563 -11.482 0.098 1.00 22.52 O ATOM 239 CB ILE A 15 1.573 -11.067 -2.455 1.00 4.55 C ATOM 240 CG1 ILE A 15 2.787 -10.240 -2.984 1.00 62.54 C ATOM 241 CG2 ILE A 15 0.242 -10.429 -2.927 1.00 62.20 C ATOM 242 CD1 ILE A 15 2.881 -10.109 -4.501 1.00 23.51 C ATOM 0 H ILE A 15 3.549 -12.032 -1.110 1.00 23.10 H new ATOM 0 HA ILE A 15 1.572 -10.185 -0.477 1.00 12.21 H new ATOM 0 HB ILE A 15 1.635 -12.074 -2.868 1.00 4.55 H new ATOM 0 HG12 ILE A 15 2.739 -9.240 -2.553 1.00 62.54 H new ATOM 0 HG13 ILE A 15 3.705 -10.701 -2.619 1.00 62.54 H new ATOM 0 HG21 ILE A 15 0.241 -10.352 -4.014 1.00 62.20 H new ATOM 0 HG22 ILE A 15 -0.594 -11.051 -2.606 1.00 62.20 H new ATOM 0 HG23 ILE A 15 0.141 -9.434 -2.493 1.00 62.20 H new ATOM 0 HD11 ILE A 15 3.758 -9.517 -4.761 1.00 23.51 H new ATOM 0 HD12 ILE A 15 2.966 -11.100 -4.947 1.00 23.51 H new ATOM 0 HD13 ILE A 15 1.985 -9.617 -4.880 1.00 23.51 H new ATOM 254 N LYS A 16 0.573 -13.374 -0.465 1.00 22.43 N ATOM 255 CA LYS A 16 -0.437 -14.346 0.008 1.00 40.22 C ATOM 256 C LYS A 16 -0.681 -14.207 1.521 1.00 31.22 C ATOM 257 O LYS A 16 -1.832 -14.165 1.959 1.00 71.32 O ATOM 258 CB LYS A 16 0.010 -15.798 -0.315 1.00 64.32 C ATOM 259 CG LYS A 16 0.283 -16.061 -1.807 1.00 72.32 C ATOM 260 CD LYS A 16 -0.977 -15.884 -2.691 1.00 63.32 C ATOM 261 CE LYS A 16 -0.682 -16.114 -4.182 1.00 33.45 C ATOM 262 NZ LYS A 16 -0.168 -17.485 -4.465 1.00 2.14 N ATOM 0 H LYS A 16 1.405 -13.813 -0.858 1.00 22.43 H new ATOM 0 HA LYS A 16 -1.369 -14.131 -0.515 1.00 40.22 H new ATOM 0 HB2 LYS A 16 0.913 -16.022 0.252 1.00 64.32 H new ATOM 0 HB3 LYS A 16 -0.761 -16.488 0.028 1.00 64.32 H new ATOM 0 HG2 LYS A 16 1.062 -15.382 -2.154 1.00 72.32 H new ATOM 0 HG3 LYS A 16 0.666 -17.074 -1.928 1.00 72.32 H new ATOM 0 HD2 LYS A 16 -1.748 -16.581 -2.364 1.00 63.32 H new ATOM 0 HD3 LYS A 16 -1.377 -14.879 -2.553 1.00 63.32 H new ATOM 0 HE2 LYS A 16 -1.592 -15.946 -4.758 1.00 33.45 H new ATOM 0 HE3 LYS A 16 0.049 -15.380 -4.520 1.00 33.45 H new ATOM 0 HZ1 LYS A 16 -0.083 -17.618 -5.493 1.00 2.14 H new ATOM 0 HZ2 LYS A 16 0.765 -17.604 -4.022 1.00 2.14 H new ATOM 0 HZ3 LYS A 16 -0.828 -18.190 -4.078 1.00 2.14 H new ATOM 276 N LYS A 17 0.424 -14.125 2.296 1.00 14.40 N ATOM 277 CA LYS A 17 0.388 -14.027 3.771 1.00 11.33 C ATOM 278 C LYS A 17 -0.375 -12.771 4.225 1.00 74.32 C ATOM 279 O LYS A 17 -1.196 -12.838 5.141 1.00 50.10 O ATOM 280 CB LYS A 17 1.825 -14.009 4.351 1.00 61.53 C ATOM 281 CG LYS A 17 2.664 -15.258 4.018 1.00 2.54 C ATOM 282 CD LYS A 17 4.119 -15.154 4.543 1.00 61.44 C ATOM 283 CE LYS A 17 4.201 -15.150 6.079 1.00 52.43 C ATOM 284 NZ LYS A 17 5.596 -14.992 6.577 1.00 32.03 N ATOM 0 H LYS A 17 1.369 -14.125 1.913 1.00 14.40 H new ATOM 0 HA LYS A 17 -0.137 -14.905 4.149 1.00 11.33 H new ATOM 0 HB2 LYS A 17 2.344 -13.127 3.975 1.00 61.53 H new ATOM 0 HB3 LYS A 17 1.765 -13.906 5.434 1.00 61.53 H new ATOM 0 HG2 LYS A 17 2.187 -16.138 4.450 1.00 2.54 H new ATOM 0 HG3 LYS A 17 2.681 -15.403 2.938 1.00 2.54 H new ATOM 0 HD2 LYS A 17 4.701 -15.990 4.155 1.00 61.44 H new ATOM 0 HD3 LYS A 17 4.575 -14.242 4.157 1.00 61.44 H new ATOM 0 HE2 LYS A 17 3.585 -14.340 6.470 1.00 52.43 H new ATOM 0 HE3 LYS A 17 3.785 -16.081 6.464 1.00 52.43 H new ATOM 0 HZ1 LYS A 17 5.582 -14.843 7.606 1.00 32.03 H new ATOM 0 HZ2 LYS A 17 6.142 -15.850 6.359 1.00 32.03 H new ATOM 0 HZ3 LYS A 17 6.039 -14.173 6.114 1.00 32.03 H new ATOM 298 N ILE A 18 -0.081 -11.641 3.544 1.00 54.51 N ATOM 299 CA ILE A 18 -0.726 -10.345 3.789 1.00 12.42 C ATOM 300 C ILE A 18 -2.222 -10.485 3.539 1.00 41.22 C ATOM 301 O ILE A 18 -3.007 -10.174 4.418 1.00 71.34 O ATOM 302 CB ILE A 18 -0.127 -9.198 2.880 1.00 33.32 C ATOM 303 CG1 ILE A 18 1.411 -9.061 3.113 1.00 21.51 C ATOM 304 CG2 ILE A 18 -0.846 -7.838 3.122 1.00 43.13 C ATOM 305 CD1 ILE A 18 2.127 -8.145 2.139 1.00 53.43 C ATOM 0 H ILE A 18 0.619 -11.610 2.803 1.00 54.51 H new ATOM 0 HA ILE A 18 -0.539 -10.060 4.824 1.00 12.42 H new ATOM 0 HB ILE A 18 -0.298 -9.477 1.840 1.00 33.32 H new ATOM 0 HG12 ILE A 18 1.579 -8.693 4.125 1.00 21.51 H new ATOM 0 HG13 ILE A 18 1.862 -10.052 3.055 1.00 21.51 H new ATOM 0 HG21 ILE A 18 -0.407 -7.075 2.480 1.00 43.13 H new ATOM 0 HG22 ILE A 18 -1.906 -7.941 2.891 1.00 43.13 H new ATOM 0 HG23 ILE A 18 -0.729 -7.545 4.165 1.00 43.13 H new ATOM 0 HD11 ILE A 18 3.189 -8.115 2.382 1.00 53.43 H new ATOM 0 HD12 ILE A 18 1.997 -8.520 1.124 1.00 53.43 H new ATOM 0 HD13 ILE A 18 1.710 -7.141 2.210 1.00 53.43 H new ATOM 317 N LYS A 19 -2.579 -11.033 2.349 1.00 20.35 N ATOM 318 CA LYS A 19 -3.982 -11.231 1.935 1.00 14.22 C ATOM 319 C LYS A 19 -4.776 -11.996 3.002 1.00 62.12 C ATOM 320 O LYS A 19 -5.904 -11.628 3.292 1.00 2.20 O ATOM 321 CB LYS A 19 -4.087 -11.980 0.576 1.00 74.30 C ATOM 322 CG LYS A 19 -3.560 -11.186 -0.633 1.00 21.13 C ATOM 323 CD LYS A 19 -3.885 -11.874 -1.977 1.00 4.21 C ATOM 324 CE LYS A 19 -3.398 -11.074 -3.195 1.00 22.42 C ATOM 325 NZ LYS A 19 -3.955 -11.617 -4.464 1.00 71.44 N ATOM 0 H LYS A 19 -1.900 -11.347 1.655 1.00 20.35 H new ATOM 0 HA LYS A 19 -4.412 -10.236 1.815 1.00 14.22 H new ATOM 0 HB2 LYS A 19 -3.534 -12.917 0.648 1.00 74.30 H new ATOM 0 HB3 LYS A 19 -5.131 -12.239 0.398 1.00 74.30 H new ATOM 0 HG2 LYS A 19 -3.995 -10.187 -0.625 1.00 21.13 H new ATOM 0 HG3 LYS A 19 -2.481 -11.065 -0.542 1.00 21.13 H new ATOM 0 HD2 LYS A 19 -3.427 -12.863 -1.992 1.00 4.21 H new ATOM 0 HD3 LYS A 19 -4.962 -12.020 -2.053 1.00 4.21 H new ATOM 0 HE2 LYS A 19 -3.690 -10.030 -3.086 1.00 22.42 H new ATOM 0 HE3 LYS A 19 -2.309 -11.098 -3.235 1.00 22.42 H new ATOM 0 HZ1 LYS A 19 -3.899 -10.891 -5.206 1.00 71.44 H new ATOM 0 HZ2 LYS A 19 -3.407 -12.452 -4.754 1.00 71.44 H new ATOM 0 HZ3 LYS A 19 -4.949 -11.888 -4.319 1.00 71.44 H new ATOM 339 N LYS A 20 -4.147 -13.029 3.601 1.00 14.24 N ATOM 340 CA LYS A 20 -4.795 -13.874 4.622 1.00 72.44 C ATOM 341 C LYS A 20 -5.052 -13.089 5.911 1.00 52.12 C ATOM 342 O LYS A 20 -6.134 -13.207 6.488 1.00 51.33 O ATOM 343 CB LYS A 20 -3.969 -15.166 4.877 1.00 70.55 C ATOM 344 CG LYS A 20 -3.874 -16.069 3.624 1.00 74.42 C ATOM 345 CD LYS A 20 -5.274 -16.446 3.061 1.00 32.04 C ATOM 346 CE LYS A 20 -5.214 -17.097 1.678 1.00 14.22 C ATOM 347 NZ LYS A 20 -6.581 -17.354 1.152 1.00 34.30 N ATOM 0 H LYS A 20 -3.185 -13.298 3.392 1.00 14.24 H new ATOM 0 HA LYS A 20 -5.769 -14.183 4.241 1.00 72.44 H new ATOM 0 HB2 LYS A 20 -2.965 -14.893 5.200 1.00 70.55 H new ATOM 0 HB3 LYS A 20 -4.424 -15.729 5.692 1.00 70.55 H new ATOM 0 HG2 LYS A 20 -3.300 -15.556 2.852 1.00 74.42 H new ATOM 0 HG3 LYS A 20 -3.329 -16.979 3.875 1.00 74.42 H new ATOM 0 HD2 LYS A 20 -5.766 -17.128 3.755 1.00 32.04 H new ATOM 0 HD3 LYS A 20 -5.890 -15.548 3.006 1.00 32.04 H new ATOM 0 HE2 LYS A 20 -4.671 -16.449 0.990 1.00 14.22 H new ATOM 0 HE3 LYS A 20 -4.661 -18.034 1.737 1.00 14.22 H new ATOM 0 HZ1 LYS A 20 -6.519 -17.669 0.163 1.00 34.30 H new ATOM 0 HZ2 LYS A 20 -7.039 -18.093 1.722 1.00 34.30 H new ATOM 0 HZ3 LYS A 20 -7.142 -16.480 1.203 1.00 34.30 H new ATOM 361 N GLU A 21 -4.067 -12.264 6.323 1.00 5.23 N ATOM 362 CA GLU A 21 -4.213 -11.339 7.472 1.00 33.45 C ATOM 363 C GLU A 21 -5.383 -10.360 7.232 1.00 12.41 C ATOM 364 O GLU A 21 -6.204 -10.124 8.112 1.00 43.15 O ATOM 365 CB GLU A 21 -2.897 -10.538 7.698 1.00 22.54 C ATOM 366 CG GLU A 21 -1.661 -11.397 8.043 1.00 63.21 C ATOM 367 CD GLU A 21 -1.808 -12.175 9.361 1.00 74.03 C ATOM 368 OE1 GLU A 21 -1.610 -11.571 10.433 1.00 52.25 O ATOM 369 OE2 GLU A 21 -2.129 -13.387 9.338 1.00 34.41 O ATOM 0 H GLU A 21 -3.153 -12.218 5.873 1.00 5.23 H new ATOM 0 HA GLU A 21 -4.424 -11.933 8.361 1.00 33.45 H new ATOM 0 HB2 GLU A 21 -2.681 -9.962 6.798 1.00 22.54 H new ATOM 0 HB3 GLU A 21 -3.059 -9.822 8.503 1.00 22.54 H new ATOM 0 HG2 GLU A 21 -1.480 -12.102 7.232 1.00 63.21 H new ATOM 0 HG3 GLU A 21 -0.785 -10.751 8.106 1.00 63.21 H new ATOM 376 N VAL A 22 -5.455 -9.847 5.997 1.00 22.22 N ATOM 377 CA VAL A 22 -6.429 -8.826 5.571 1.00 24.40 C ATOM 378 C VAL A 22 -7.847 -9.430 5.424 1.00 51.00 C ATOM 379 O VAL A 22 -8.844 -8.730 5.627 1.00 72.02 O ATOM 380 CB VAL A 22 -5.945 -8.167 4.225 1.00 33.25 C ATOM 381 CG1 VAL A 22 -6.921 -7.093 3.711 1.00 44.30 C ATOM 382 CG2 VAL A 22 -4.538 -7.564 4.407 1.00 65.30 C ATOM 0 H VAL A 22 -4.825 -10.134 5.248 1.00 22.22 H new ATOM 0 HA VAL A 22 -6.490 -8.054 6.338 1.00 24.40 H new ATOM 0 HB VAL A 22 -5.911 -8.956 3.473 1.00 33.25 H new ATOM 0 HG11 VAL A 22 -6.540 -6.671 2.781 1.00 44.30 H new ATOM 0 HG12 VAL A 22 -7.897 -7.544 3.532 1.00 44.30 H new ATOM 0 HG13 VAL A 22 -7.018 -6.303 4.456 1.00 44.30 H new ATOM 0 HG21 VAL A 22 -4.212 -7.111 3.471 1.00 65.30 H new ATOM 0 HG22 VAL A 22 -4.566 -6.804 5.188 1.00 65.30 H new ATOM 0 HG23 VAL A 22 -3.839 -8.351 4.692 1.00 65.30 H new ATOM 392 N GLU A 23 -7.914 -10.733 5.081 1.00 62.11 N ATOM 393 CA GLU A 23 -9.183 -11.497 5.011 1.00 64.31 C ATOM 394 C GLU A 23 -9.684 -11.853 6.423 1.00 34.53 C ATOM 395 O GLU A 23 -10.892 -12.000 6.634 1.00 14.32 O ATOM 396 CB GLU A 23 -9.023 -12.785 4.150 1.00 2.22 C ATOM 397 CG GLU A 23 -8.841 -12.526 2.637 1.00 34.42 C ATOM 398 CD GLU A 23 -8.717 -13.824 1.817 1.00 44.20 C ATOM 399 OE1 GLU A 23 -7.596 -14.362 1.684 1.00 21.04 O ATOM 400 OE2 GLU A 23 -9.753 -14.335 1.330 1.00 73.24 O ATOM 0 H GLU A 23 -7.091 -11.288 4.844 1.00 62.11 H new ATOM 0 HA GLU A 23 -9.925 -10.861 4.529 1.00 64.31 H new ATOM 0 HB2 GLU A 23 -8.163 -13.347 4.516 1.00 2.22 H new ATOM 0 HB3 GLU A 23 -9.901 -13.415 4.295 1.00 2.22 H new ATOM 0 HG2 GLU A 23 -9.689 -11.949 2.268 1.00 34.42 H new ATOM 0 HG3 GLU A 23 -7.950 -11.918 2.482 1.00 34.42 H new ATOM 407 N ASN A 24 -8.741 -11.982 7.385 1.00 73.43 N ATOM 408 CA ASN A 24 -9.069 -12.206 8.816 1.00 3.53 C ATOM 409 C ASN A 24 -9.724 -10.937 9.415 1.00 11.13 C ATOM 410 O ASN A 24 -10.458 -11.012 10.407 1.00 64.44 O ATOM 411 CB ASN A 24 -7.788 -12.599 9.618 1.00 53.54 C ATOM 412 CG ASN A 24 -7.214 -13.968 9.235 1.00 51.13 C ATOM 413 OD1 ASN A 24 -7.945 -14.874 8.825 1.00 53.32 O ATOM 414 ND2 ASN A 24 -5.903 -14.130 9.367 1.00 41.21 N ATOM 0 H ASN A 24 -7.740 -11.935 7.196 1.00 73.43 H new ATOM 0 HA ASN A 24 -9.778 -13.030 8.889 1.00 3.53 H new ATOM 0 HB2 ASN A 24 -7.024 -11.838 9.460 1.00 53.54 H new ATOM 0 HB3 ASN A 24 -8.023 -12.599 10.682 1.00 53.54 H new ATOM 0 HD21 ASN A 24 -5.473 -15.023 9.127 1.00 41.21 H new ATOM 0 HD22 ASN A 24 -5.326 -13.361 9.709 1.00 41.21 H new ATOM 421 N GLN A 25 -9.443 -9.780 8.781 1.00 12.45 N ATOM 422 CA GLN A 25 -9.987 -8.463 9.175 1.00 54.42 C ATOM 423 C GLN A 25 -11.217 -8.099 8.307 1.00 51.53 C ATOM 424 O GLN A 25 -12.113 -7.373 8.751 1.00 73.22 O ATOM 425 CB GLN A 25 -8.876 -7.391 9.020 1.00 24.34 C ATOM 426 CG GLN A 25 -7.539 -7.754 9.701 1.00 1.51 C ATOM 427 CD GLN A 25 -7.615 -7.945 11.216 1.00 40.40 C ATOM 428 OE1 GLN A 25 -8.400 -7.303 11.910 1.00 12.55 O ATOM 429 NE2 GLN A 25 -6.799 -8.842 11.732 1.00 4.44 N ATOM 0 H GLN A 25 -8.825 -9.733 7.971 1.00 12.45 H new ATOM 0 HA GLN A 25 -10.312 -8.502 10.215 1.00 54.42 H new ATOM 0 HB2 GLN A 25 -8.695 -7.224 7.958 1.00 24.34 H new ATOM 0 HB3 GLN A 25 -9.237 -6.449 9.434 1.00 24.34 H new ATOM 0 HG2 GLN A 25 -7.158 -8.672 9.253 1.00 1.51 H new ATOM 0 HG3 GLN A 25 -6.814 -6.969 9.485 1.00 1.51 H new ATOM 0 HE21 GLN A 25 -6.160 -9.358 11.127 1.00 4.44 H new ATOM 0 HE22 GLN A 25 -6.807 -9.021 12.736 1.00 4.44 H new ATOM 438 N GLY A 26 -11.227 -8.614 7.060 1.00 20.32 N ATOM 439 CA GLY A 26 -12.347 -8.447 6.128 1.00 31.24 C ATOM 440 C GLY A 26 -12.289 -7.169 5.288 1.00 45.12 C ATOM 441 O GLY A 26 -13.322 -6.531 5.060 1.00 32.44 O ATOM 0 H GLY A 26 -10.454 -9.158 6.676 1.00 20.32 H new ATOM 0 HA2 GLY A 26 -12.377 -9.306 5.458 1.00 31.24 H new ATOM 0 HA3 GLY A 26 -13.278 -8.452 6.694 1.00 31.24 H new ATOM 445 N TYR A 27 -11.076 -6.796 4.832 1.00 42.31 N ATOM 446 CA TYR A 27 -10.865 -5.626 3.938 1.00 33.33 C ATOM 447 C TYR A 27 -10.775 -6.090 2.470 1.00 63.23 C ATOM 448 O TYR A 27 -10.662 -7.290 2.181 1.00 50.15 O ATOM 449 CB TYR A 27 -9.568 -4.845 4.314 1.00 14.04 C ATOM 450 CG TYR A 27 -9.546 -4.147 5.688 1.00 22.23 C ATOM 451 CD1 TYR A 27 -10.084 -4.744 6.829 1.00 53.33 C ATOM 452 CD2 TYR A 27 -8.968 -2.884 5.837 1.00 11.22 C ATOM 453 CE1 TYR A 27 -10.044 -4.119 8.056 1.00 52.21 C ATOM 454 CE2 TYR A 27 -8.923 -2.262 7.067 1.00 44.24 C ATOM 455 CZ TYR A 27 -9.471 -2.881 8.169 1.00 75.52 C ATOM 456 OH TYR A 27 -9.435 -2.264 9.396 1.00 3.14 O ATOM 0 H TYR A 27 -10.216 -7.291 5.068 1.00 42.31 H new ATOM 0 HA TYR A 27 -11.717 -4.958 4.063 1.00 33.33 H new ATOM 0 HB2 TYR A 27 -8.730 -5.541 4.274 1.00 14.04 H new ATOM 0 HB3 TYR A 27 -9.393 -4.090 3.548 1.00 14.04 H new ATOM 0 HD1 TYR A 27 -10.542 -5.719 6.748 1.00 53.33 H new ATOM 0 HD2 TYR A 27 -8.549 -2.386 4.975 1.00 11.22 H new ATOM 0 HE1 TYR A 27 -10.463 -4.604 8.925 1.00 52.21 H new ATOM 0 HE2 TYR A 27 -8.459 -1.292 7.166 1.00 44.24 H new ATOM 0 HH TYR A 27 -8.995 -1.392 9.311 1.00 3.14 H new ATOM 466 N GLN A 28 -10.794 -5.112 1.550 1.00 13.25 N ATOM 467 CA GLN A 28 -10.797 -5.345 0.095 1.00 4.33 C ATOM 468 C GLN A 28 -9.341 -5.348 -0.397 1.00 24.24 C ATOM 469 O GLN A 28 -8.679 -4.314 -0.325 1.00 52.13 O ATOM 470 CB GLN A 28 -11.583 -4.203 -0.641 1.00 73.22 C ATOM 471 CG GLN A 28 -13.106 -4.076 -0.348 1.00 3.34 C ATOM 472 CD GLN A 28 -13.436 -4.013 1.141 1.00 21.43 C ATOM 473 OE1 GLN A 28 -13.201 -2.873 1.752 1.00 20.42 O flip ATOM 474 NE2 GLN A 28 -13.831 -5.003 1.758 1.00 62.11 N flip ATOM 0 H GLN A 28 -10.808 -4.123 1.799 1.00 13.25 H new ATOM 0 HA GLN A 28 -11.281 -6.298 -0.119 1.00 4.33 H new ATOM 0 HB2 GLN A 28 -11.111 -3.253 -0.389 1.00 73.22 H new ATOM 0 HB3 GLN A 28 -11.458 -4.346 -1.714 1.00 73.22 H new ATOM 0 HG2 GLN A 28 -13.488 -3.179 -0.835 1.00 3.34 H new ATOM 0 HG3 GLN A 28 -13.625 -4.925 -0.792 1.00 3.34 H new ATOM 0 HE21 GLN A 28 -14.006 -5.877 1.262 1.00 62.11 H new ATOM 0 HE22 GLN A 28 -13.983 -4.949 2.765 1.00 62.11 H new ATOM 483 N VAL A 29 -8.835 -6.496 -0.866 1.00 51.24 N ATOM 484 CA VAL A 29 -7.462 -6.593 -1.415 1.00 14.54 C ATOM 485 C VAL A 29 -7.481 -6.407 -2.942 1.00 13.34 C ATOM 486 O VAL A 29 -8.372 -6.930 -3.620 1.00 51.31 O ATOM 487 CB VAL A 29 -6.777 -7.978 -1.107 1.00 41.42 C ATOM 488 CG1 VAL A 29 -5.281 -7.955 -1.515 1.00 4.10 C ATOM 489 CG2 VAL A 29 -6.944 -8.378 0.373 1.00 52.23 C ATOM 0 H VAL A 29 -9.351 -7.376 -0.879 1.00 51.24 H new ATOM 0 HA VAL A 29 -6.888 -5.804 -0.929 1.00 14.54 H new ATOM 0 HB VAL A 29 -7.281 -8.736 -1.706 1.00 41.42 H new ATOM 0 HG11 VAL A 29 -4.828 -8.922 -1.293 1.00 4.10 H new ATOM 0 HG12 VAL A 29 -5.198 -7.752 -2.583 1.00 4.10 H new ATOM 0 HG13 VAL A 29 -4.763 -7.175 -0.956 1.00 4.10 H new ATOM 0 HG21 VAL A 29 -6.459 -9.338 0.547 1.00 52.23 H new ATOM 0 HG22 VAL A 29 -6.487 -7.620 1.009 1.00 52.23 H new ATOM 0 HG23 VAL A 29 -8.005 -8.459 0.611 1.00 52.23 H new ATOM 499 N ARG A 30 -6.526 -5.617 -3.460 1.00 40.33 N ATOM 500 CA ARG A 30 -6.141 -5.609 -4.889 1.00 31.31 C ATOM 501 C ARG A 30 -4.613 -5.653 -4.962 1.00 1.13 C ATOM 502 O ARG A 30 -3.957 -4.917 -4.239 1.00 24.21 O ATOM 503 CB ARG A 30 -6.638 -4.346 -5.662 1.00 1.32 C ATOM 504 CG ARG A 30 -8.167 -4.225 -5.863 1.00 21.24 C ATOM 505 CD ARG A 30 -8.927 -3.662 -4.643 1.00 40.31 C ATOM 506 NE ARG A 30 -10.362 -3.496 -4.932 1.00 14.22 N ATOM 507 CZ ARG A 30 -11.338 -4.347 -4.577 1.00 31.41 C ATOM 508 NH1 ARG A 30 -11.064 -5.462 -3.891 1.00 21.14 N ATOM 509 NH2 ARG A 30 -12.587 -4.067 -4.897 1.00 12.44 N ATOM 0 H ARG A 30 -5.991 -4.957 -2.895 1.00 40.33 H new ATOM 0 HA ARG A 30 -6.610 -6.473 -5.361 1.00 31.31 H new ATOM 0 HB2 ARG A 30 -6.291 -3.460 -5.130 1.00 1.32 H new ATOM 0 HB3 ARG A 30 -6.162 -4.335 -6.642 1.00 1.32 H new ATOM 0 HG2 ARG A 30 -8.359 -3.583 -6.723 1.00 21.24 H new ATOM 0 HG3 ARG A 30 -8.569 -5.209 -6.104 1.00 21.24 H new ATOM 0 HD2 ARG A 30 -8.801 -4.333 -3.793 1.00 40.31 H new ATOM 0 HD3 ARG A 30 -8.499 -2.701 -4.357 1.00 40.31 H new ATOM 0 HE ARG A 30 -10.639 -2.660 -5.448 1.00 14.22 H new ATOM 0 HH11 ARG A 30 -10.102 -5.676 -3.630 1.00 21.14 H new ATOM 0 HH12 ARG A 30 -11.817 -6.098 -3.629 1.00 21.14 H new ATOM 0 HH21 ARG A 30 -12.803 -3.212 -5.409 1.00 12.44 H new ATOM 0 HH22 ARG A 30 -13.337 -4.706 -4.633 1.00 12.44 H new ATOM 523 N ASP A 31 -4.054 -6.525 -5.807 1.00 31.35 N ATOM 524 CA ASP A 31 -2.614 -6.519 -6.120 1.00 42.14 C ATOM 525 C ASP A 31 -2.440 -5.975 -7.552 1.00 13.42 C ATOM 526 O ASP A 31 -2.964 -6.526 -8.518 1.00 32.44 O ATOM 527 CB ASP A 31 -1.974 -7.930 -5.947 1.00 60.24 C ATOM 528 CG ASP A 31 -2.589 -9.007 -6.856 1.00 61.44 C ATOM 529 OD1 ASP A 31 -3.690 -9.509 -6.536 1.00 20.11 O ATOM 530 OD2 ASP A 31 -1.996 -9.330 -7.910 1.00 32.05 O ATOM 0 H ASP A 31 -4.579 -7.252 -6.293 1.00 31.35 H new ATOM 0 HA ASP A 31 -2.087 -5.873 -5.417 1.00 42.14 H new ATOM 0 HB2 ASP A 31 -0.906 -7.862 -6.152 1.00 60.24 H new ATOM 0 HB3 ASP A 31 -2.080 -8.242 -4.908 1.00 60.24 H new ATOM 535 N VAL A 32 -1.763 -4.835 -7.653 1.00 21.12 N ATOM 536 CA VAL A 32 -1.458 -4.162 -8.914 1.00 43.25 C ATOM 537 C VAL A 32 -0.090 -4.632 -9.425 1.00 51.31 C ATOM 538 O VAL A 32 0.922 -4.497 -8.725 1.00 61.12 O ATOM 539 CB VAL A 32 -1.457 -2.600 -8.728 1.00 25.31 C ATOM 540 CG1 VAL A 32 -1.015 -1.873 -10.022 1.00 42.41 C ATOM 541 CG2 VAL A 32 -2.848 -2.104 -8.251 1.00 13.25 C ATOM 0 H VAL A 32 -1.401 -4.339 -6.838 1.00 21.12 H new ATOM 0 HA VAL A 32 -2.227 -4.416 -9.643 1.00 43.25 H new ATOM 0 HB VAL A 32 -0.727 -2.357 -7.956 1.00 25.31 H new ATOM 0 HG11 VAL A 32 -1.026 -0.796 -9.856 1.00 42.41 H new ATOM 0 HG12 VAL A 32 -0.007 -2.188 -10.290 1.00 42.41 H new ATOM 0 HG13 VAL A 32 -1.701 -2.123 -10.832 1.00 42.41 H new ATOM 0 HG21 VAL A 32 -2.826 -1.021 -8.128 1.00 13.25 H new ATOM 0 HG22 VAL A 32 -3.603 -2.370 -8.991 1.00 13.25 H new ATOM 0 HG23 VAL A 32 -3.094 -2.572 -7.298 1.00 13.25 H new ATOM 551 N ASN A 33 -0.076 -5.184 -10.645 1.00 33.32 N ATOM 552 CA ASN A 33 1.152 -5.655 -11.319 1.00 73.44 C ATOM 553 C ASN A 33 1.500 -4.734 -12.509 1.00 74.02 C ATOM 554 O ASN A 33 2.625 -4.775 -13.021 1.00 24.42 O ATOM 555 CB ASN A 33 0.966 -7.118 -11.801 1.00 41.51 C ATOM 556 CG ASN A 33 0.440 -8.043 -10.703 1.00 52.34 C ATOM 557 OD1 ASN A 33 1.211 -8.637 -9.946 1.00 33.32 O ATOM 558 ND2 ASN A 33 -0.878 -8.153 -10.598 1.00 51.22 N ATOM 0 H ASN A 33 -0.921 -5.320 -11.201 1.00 33.32 H new ATOM 0 HA ASN A 33 1.977 -5.623 -10.608 1.00 73.44 H new ATOM 0 HB2 ASN A 33 0.275 -7.133 -12.644 1.00 41.51 H new ATOM 0 HB3 ASN A 33 1.920 -7.500 -12.165 1.00 41.51 H new ATOM 0 HD21 ASN A 33 -1.284 -8.744 -9.873 1.00 51.22 H new ATOM 0 HD22 ASN A 33 -1.485 -7.646 -11.242 1.00 51.22 H new ATOM 565 N ASP A 34 0.530 -3.890 -12.930 1.00 24.11 N ATOM 566 CA ASP A 34 0.678 -2.992 -14.098 1.00 14.11 C ATOM 567 C ASP A 34 -0.168 -1.714 -13.920 1.00 22.04 C ATOM 568 O ASP A 34 -1.166 -1.717 -13.195 1.00 31.52 O ATOM 569 CB ASP A 34 0.270 -3.741 -15.399 1.00 75.21 C ATOM 570 CG ASP A 34 0.441 -2.902 -16.684 1.00 44.41 C ATOM 571 OD1 ASP A 34 1.587 -2.515 -17.002 1.00 74.53 O ATOM 572 OD2 ASP A 34 -0.566 -2.583 -17.340 1.00 1.20 O ATOM 0 H ASP A 34 -0.377 -3.813 -12.470 1.00 24.11 H new ATOM 0 HA ASP A 34 1.724 -2.694 -14.176 1.00 14.11 H new ATOM 0 HB2 ASP A 34 0.868 -4.648 -15.487 1.00 75.21 H new ATOM 0 HB3 ASP A 34 -0.771 -4.052 -15.316 1.00 75.21 H new ATOM 577 N SER A 35 0.239 -0.638 -14.625 1.00 33.23 N ATOM 578 CA SER A 35 -0.406 0.688 -14.559 1.00 64.32 C ATOM 579 C SER A 35 -1.870 0.664 -15.046 1.00 13.12 C ATOM 580 O SER A 35 -2.674 1.508 -14.623 1.00 42.45 O ATOM 581 CB SER A 35 0.412 1.711 -15.376 1.00 11.50 C ATOM 582 OG SER A 35 1.752 1.772 -14.931 1.00 10.21 O ATOM 0 H SER A 35 1.034 -0.667 -15.263 1.00 33.23 H new ATOM 0 HA SER A 35 -0.427 0.984 -13.510 1.00 64.32 H new ATOM 0 HB2 SER A 35 0.389 1.438 -16.431 1.00 11.50 H new ATOM 0 HB3 SER A 35 -0.046 2.696 -15.292 1.00 11.50 H new ATOM 0 HG SER A 35 1.817 2.388 -14.171 1.00 10.21 H new ATOM 588 N ASP A 36 -2.223 -0.325 -15.900 1.00 42.32 N ATOM 589 CA ASP A 36 -3.590 -0.433 -16.454 1.00 35.33 C ATOM 590 C ASP A 36 -4.558 -0.994 -15.403 1.00 22.51 C ATOM 591 O ASP A 36 -5.756 -0.763 -15.482 1.00 44.33 O ATOM 592 CB ASP A 36 -3.636 -1.279 -17.755 1.00 74.30 C ATOM 593 CG ASP A 36 -2.935 -0.604 -18.952 1.00 51.14 C ATOM 594 OD1 ASP A 36 -3.040 0.634 -19.107 1.00 53.33 O ATOM 595 OD2 ASP A 36 -2.263 -1.300 -19.741 1.00 60.14 O ATOM 0 H ASP A 36 -1.584 -1.054 -16.218 1.00 42.32 H new ATOM 0 HA ASP A 36 -3.908 0.575 -16.720 1.00 35.33 H new ATOM 0 HB2 ASP A 36 -3.168 -2.245 -17.568 1.00 74.30 H new ATOM 0 HB3 ASP A 36 -4.676 -1.474 -18.016 1.00 74.30 H new ATOM 600 N GLU A 37 -4.009 -1.722 -14.419 1.00 13.23 N ATOM 601 CA GLU A 37 -4.779 -2.270 -13.291 1.00 74.35 C ATOM 602 C GLU A 37 -5.150 -1.160 -12.288 1.00 2.14 C ATOM 603 O GLU A 37 -6.312 -1.042 -11.879 1.00 52.43 O ATOM 604 CB GLU A 37 -3.952 -3.384 -12.595 1.00 43.53 C ATOM 605 CG GLU A 37 -3.676 -4.616 -13.482 1.00 62.40 C ATOM 606 CD GLU A 37 -2.763 -5.658 -12.811 1.00 61.43 C ATOM 607 OE1 GLU A 37 -3.094 -6.126 -11.696 1.00 35.41 O ATOM 608 OE2 GLU A 37 -1.709 -5.999 -13.378 1.00 3.21 O ATOM 0 H GLU A 37 -3.015 -1.948 -14.383 1.00 13.23 H new ATOM 0 HA GLU A 37 -5.708 -2.697 -13.670 1.00 74.35 H new ATOM 0 HB2 GLU A 37 -3.000 -2.964 -12.269 1.00 43.53 H new ATOM 0 HB3 GLU A 37 -4.481 -3.707 -11.699 1.00 43.53 H new ATOM 0 HG2 GLU A 37 -4.624 -5.087 -13.742 1.00 62.40 H new ATOM 0 HG3 GLU A 37 -3.217 -4.288 -14.415 1.00 62.40 H new ATOM 615 N LEU A 38 -4.149 -0.325 -11.920 1.00 13.42 N ATOM 616 CA LEU A 38 -4.325 0.697 -10.869 1.00 2.44 C ATOM 617 C LEU A 38 -5.217 1.854 -11.325 1.00 22.31 C ATOM 618 O LEU A 38 -5.941 2.408 -10.509 1.00 52.22 O ATOM 619 CB LEU A 38 -2.950 1.209 -10.342 1.00 32.13 C ATOM 620 CG LEU A 38 -1.999 2.010 -11.321 1.00 34.32 C ATOM 621 CD1 LEU A 38 -2.326 3.525 -11.388 1.00 12.10 C ATOM 622 CD2 LEU A 38 -0.526 1.812 -10.938 1.00 32.14 C ATOM 0 H LEU A 38 -3.217 -0.341 -12.335 1.00 13.42 H new ATOM 0 HA LEU A 38 -4.841 0.213 -10.040 1.00 2.44 H new ATOM 0 HB2 LEU A 38 -3.146 1.846 -9.480 1.00 32.13 H new ATOM 0 HB3 LEU A 38 -2.395 0.344 -9.979 1.00 32.13 H new ATOM 0 HG LEU A 38 -2.177 1.599 -12.315 1.00 34.32 H new ATOM 0 HD11 LEU A 38 -1.638 4.016 -12.076 1.00 12.10 H new ATOM 0 HD12 LEU A 38 -3.349 3.661 -11.739 1.00 12.10 H new ATOM 0 HD13 LEU A 38 -2.221 3.964 -10.396 1.00 12.10 H new ATOM 0 HD21 LEU A 38 0.107 2.372 -11.626 1.00 32.14 H new ATOM 0 HD22 LEU A 38 -0.363 2.170 -9.921 1.00 32.14 H new ATOM 0 HD23 LEU A 38 -0.275 0.753 -10.995 1.00 32.14 H new ATOM 634 N LYS A 39 -5.162 2.216 -12.628 1.00 45.11 N ATOM 635 CA LYS A 39 -5.952 3.345 -13.164 1.00 21.14 C ATOM 636 C LYS A 39 -7.461 3.033 -13.084 1.00 2.54 C ATOM 637 O LYS A 39 -8.286 3.937 -12.876 1.00 75.32 O ATOM 638 CB LYS A 39 -5.539 3.685 -14.620 1.00 32.35 C ATOM 639 CG LYS A 39 -5.800 2.568 -15.651 1.00 72.34 C ATOM 640 CD LYS A 39 -5.364 2.947 -17.091 1.00 2.22 C ATOM 641 CE LYS A 39 -3.871 3.312 -17.192 1.00 33.14 C ATOM 642 NZ LYS A 39 -3.429 3.477 -18.600 1.00 61.15 N ATOM 0 H LYS A 39 -4.582 1.745 -13.322 1.00 45.11 H new ATOM 0 HA LYS A 39 -5.744 4.221 -12.549 1.00 21.14 H new ATOM 0 HB2 LYS A 39 -6.075 4.581 -14.934 1.00 32.35 H new ATOM 0 HB3 LYS A 39 -4.477 3.929 -14.633 1.00 32.35 H new ATOM 0 HG2 LYS A 39 -5.268 1.668 -15.343 1.00 72.34 H new ATOM 0 HG3 LYS A 39 -6.863 2.326 -15.653 1.00 72.34 H new ATOM 0 HD2 LYS A 39 -5.574 2.112 -17.760 1.00 2.22 H new ATOM 0 HD3 LYS A 39 -5.963 3.790 -17.436 1.00 2.22 H new ATOM 0 HE2 LYS A 39 -3.687 4.236 -16.644 1.00 33.14 H new ATOM 0 HE3 LYS A 39 -3.275 2.534 -16.715 1.00 33.14 H new ATOM 0 HZ1 LYS A 39 -2.552 4.035 -18.625 1.00 61.15 H new ATOM 0 HZ2 LYS A 39 -3.257 2.542 -19.022 1.00 61.15 H new ATOM 0 HZ3 LYS A 39 -4.169 3.969 -19.141 1.00 61.15 H new ATOM 656 N LYS A 40 -7.790 1.731 -13.245 1.00 55.10 N ATOM 657 CA LYS A 40 -9.148 1.213 -13.083 1.00 34.11 C ATOM 658 C LYS A 40 -9.569 1.313 -11.619 1.00 44.20 C ATOM 659 O LYS A 40 -10.667 1.759 -11.341 1.00 13.24 O ATOM 660 CB LYS A 40 -9.232 -0.258 -13.559 1.00 53.31 C ATOM 661 CG LYS A 40 -8.893 -0.450 -15.051 1.00 51.04 C ATOM 662 CD LYS A 40 -8.905 -1.935 -15.482 1.00 45.04 C ATOM 663 CE LYS A 40 -10.296 -2.586 -15.372 1.00 51.14 C ATOM 664 NZ LYS A 40 -11.289 -1.904 -16.246 1.00 35.41 N ATOM 0 H LYS A 40 -7.109 1.014 -13.493 1.00 55.10 H new ATOM 0 HA LYS A 40 -9.824 1.812 -13.694 1.00 34.11 H new ATOM 0 HB2 LYS A 40 -8.551 -0.863 -12.961 1.00 53.31 H new ATOM 0 HB3 LYS A 40 -10.238 -0.633 -13.374 1.00 53.31 H new ATOM 0 HG2 LYS A 40 -9.610 0.105 -15.656 1.00 51.04 H new ATOM 0 HG3 LYS A 40 -7.909 -0.026 -15.253 1.00 51.04 H new ATOM 0 HD2 LYS A 40 -8.556 -2.011 -16.512 1.00 45.04 H new ATOM 0 HD3 LYS A 40 -8.200 -2.492 -14.864 1.00 45.04 H new ATOM 0 HE2 LYS A 40 -10.229 -3.638 -15.648 1.00 51.14 H new ATOM 0 HE3 LYS A 40 -10.635 -2.549 -14.337 1.00 51.14 H new ATOM 0 HZ1 LYS A 40 -12.165 -2.464 -16.279 1.00 35.41 H new ATOM 0 HZ2 LYS A 40 -11.497 -0.959 -15.864 1.00 35.41 H new ATOM 0 HZ3 LYS A 40 -10.901 -1.811 -17.206 1.00 35.41 H new ATOM 678 N GLU A 41 -8.666 0.915 -10.697 1.00 50.34 N ATOM 679 CA GLU A 41 -8.968 0.875 -9.252 1.00 43.01 C ATOM 680 C GLU A 41 -9.102 2.270 -8.637 1.00 3.14 C ATOM 681 O GLU A 41 -9.920 2.459 -7.743 1.00 63.10 O ATOM 682 CB GLU A 41 -7.934 0.018 -8.482 1.00 42.01 C ATOM 683 CG GLU A 41 -8.035 -1.489 -8.803 1.00 33.14 C ATOM 684 CD GLU A 41 -9.484 -2.031 -8.702 1.00 74.21 C ATOM 685 OE1 GLU A 41 -10.064 -2.048 -7.590 1.00 42.22 O ATOM 686 OE2 GLU A 41 -10.063 -2.426 -9.738 1.00 64.43 O ATOM 0 H GLU A 41 -7.719 0.616 -10.930 1.00 50.34 H new ATOM 0 HA GLU A 41 -9.943 0.397 -9.154 1.00 43.01 H new ATOM 0 HB2 GLU A 41 -6.930 0.368 -8.723 1.00 42.01 H new ATOM 0 HB3 GLU A 41 -8.075 0.165 -7.411 1.00 42.01 H new ATOM 0 HG2 GLU A 41 -7.655 -1.667 -9.809 1.00 33.14 H new ATOM 0 HG3 GLU A 41 -7.396 -2.045 -8.117 1.00 33.14 H new ATOM 693 N MET A 42 -8.316 3.239 -9.130 1.00 62.24 N ATOM 694 CA MET A 42 -8.430 4.649 -8.707 1.00 63.22 C ATOM 695 C MET A 42 -9.790 5.207 -9.148 1.00 74.12 C ATOM 696 O MET A 42 -10.409 6.008 -8.437 1.00 2.51 O ATOM 697 CB MET A 42 -7.273 5.511 -9.278 1.00 21.35 C ATOM 698 CG MET A 42 -5.858 5.096 -8.828 1.00 53.35 C ATOM 699 SD MET A 42 -5.595 5.177 -7.036 1.00 63.31 S ATOM 700 CE MET A 42 -5.887 3.483 -6.499 1.00 75.23 C ATOM 0 H MET A 42 -7.589 3.073 -9.826 1.00 62.24 H new ATOM 0 HA MET A 42 -8.357 4.690 -7.620 1.00 63.22 H new ATOM 0 HB2 MET A 42 -7.316 5.472 -10.366 1.00 21.35 H new ATOM 0 HB3 MET A 42 -7.438 6.549 -8.989 1.00 21.35 H new ATOM 0 HG2 MET A 42 -5.665 4.078 -9.167 1.00 53.35 H new ATOM 0 HG3 MET A 42 -5.129 5.739 -9.320 1.00 53.35 H new ATOM 0 HE1 MET A 42 -6.000 3.459 -5.415 1.00 75.23 H new ATOM 0 HE2 MET A 42 -6.796 3.104 -6.967 1.00 75.23 H new ATOM 0 HE3 MET A 42 -5.042 2.859 -6.789 1.00 75.23 H new ATOM 710 N LYS A 43 -10.248 4.755 -10.336 1.00 14.20 N ATOM 711 CA LYS A 43 -11.576 5.082 -10.853 1.00 10.03 C ATOM 712 C LYS A 43 -12.665 4.405 -9.988 1.00 44.14 C ATOM 713 O LYS A 43 -13.630 5.055 -9.636 1.00 63.23 O ATOM 714 CB LYS A 43 -11.704 4.674 -12.347 1.00 24.03 C ATOM 715 CG LYS A 43 -13.121 4.872 -12.936 1.00 5.00 C ATOM 716 CD LYS A 43 -13.223 4.507 -14.431 1.00 3.44 C ATOM 717 CE LYS A 43 -14.681 4.521 -14.936 1.00 21.53 C ATOM 718 NZ LYS A 43 -15.353 5.832 -14.709 1.00 15.41 N ATOM 0 H LYS A 43 -9.702 4.156 -10.955 1.00 14.20 H new ATOM 0 HA LYS A 43 -11.718 6.161 -10.796 1.00 10.03 H new ATOM 0 HB2 LYS A 43 -10.994 5.256 -12.934 1.00 24.03 H new ATOM 0 HB3 LYS A 43 -11.421 3.627 -12.452 1.00 24.03 H new ATOM 0 HG2 LYS A 43 -13.828 4.263 -12.373 1.00 5.00 H new ATOM 0 HG3 LYS A 43 -13.419 5.912 -12.803 1.00 5.00 H new ATOM 0 HD2 LYS A 43 -12.631 5.210 -15.016 1.00 3.44 H new ATOM 0 HD3 LYS A 43 -12.794 3.518 -14.592 1.00 3.44 H new ATOM 0 HE2 LYS A 43 -14.695 4.289 -16.001 1.00 21.53 H new ATOM 0 HE3 LYS A 43 -15.244 3.736 -14.431 1.00 21.53 H new ATOM 0 HZ1 LYS A 43 -16.334 5.783 -15.050 1.00 15.41 H new ATOM 0 HZ2 LYS A 43 -15.351 6.052 -13.693 1.00 15.41 H new ATOM 0 HZ3 LYS A 43 -14.844 6.577 -15.226 1.00 15.41 H new ATOM 732 N LYS A 44 -12.455 3.116 -9.619 1.00 10.45 N ATOM 733 CA LYS A 44 -13.396 2.311 -8.786 1.00 44.15 C ATOM 734 C LYS A 44 -13.704 3.020 -7.448 1.00 51.42 C ATOM 735 O LYS A 44 -14.835 2.962 -6.950 1.00 64.11 O ATOM 736 CB LYS A 44 -12.790 0.900 -8.509 1.00 54.43 C ATOM 737 CG LYS A 44 -12.639 -0.017 -9.761 1.00 34.34 C ATOM 738 CD LYS A 44 -13.840 -0.945 -10.018 1.00 23.14 C ATOM 739 CE LYS A 44 -13.995 -2.021 -8.928 1.00 41.43 C ATOM 740 NZ LYS A 44 -12.768 -2.851 -8.778 1.00 51.35 N ATOM 0 H LYS A 44 -11.620 2.597 -9.892 1.00 10.45 H new ATOM 0 HA LYS A 44 -14.329 2.204 -9.339 1.00 44.15 H new ATOM 0 HB2 LYS A 44 -11.809 1.027 -8.052 1.00 54.43 H new ATOM 0 HB3 LYS A 44 -13.418 0.390 -7.779 1.00 54.43 H new ATOM 0 HG2 LYS A 44 -12.485 0.610 -10.639 1.00 34.34 H new ATOM 0 HG3 LYS A 44 -11.743 -0.626 -9.644 1.00 34.34 H new ATOM 0 HD2 LYS A 44 -14.751 -0.349 -10.069 1.00 23.14 H new ATOM 0 HD3 LYS A 44 -13.721 -1.429 -10.988 1.00 23.14 H new ATOM 0 HE2 LYS A 44 -14.226 -1.541 -7.977 1.00 41.43 H new ATOM 0 HE3 LYS A 44 -14.839 -2.665 -9.173 1.00 41.43 H new ATOM 0 HZ1 LYS A 44 -13.033 -3.855 -8.715 1.00 51.35 H new ATOM 0 HZ2 LYS A 44 -12.149 -2.708 -9.601 1.00 51.35 H new ATOM 0 HZ3 LYS A 44 -12.263 -2.571 -7.913 1.00 51.35 H new ATOM 754 N LEU A 45 -12.667 3.681 -6.892 1.00 13.25 N ATOM 755 CA LEU A 45 -12.785 4.485 -5.663 1.00 24.53 C ATOM 756 C LEU A 45 -13.658 5.729 -5.935 1.00 71.40 C ATOM 757 O LEU A 45 -14.550 6.065 -5.152 1.00 0.14 O ATOM 758 CB LEU A 45 -11.382 4.922 -5.160 1.00 13.25 C ATOM 759 CG LEU A 45 -10.334 3.794 -4.916 1.00 21.22 C ATOM 760 CD1 LEU A 45 -9.003 4.372 -4.397 1.00 74.31 C ATOM 761 CD2 LEU A 45 -10.879 2.693 -3.981 1.00 3.10 C ATOM 0 H LEU A 45 -11.726 3.671 -7.284 1.00 13.25 H new ATOM 0 HA LEU A 45 -13.255 3.876 -4.891 1.00 24.53 H new ATOM 0 HB2 LEU A 45 -10.965 5.621 -5.885 1.00 13.25 H new ATOM 0 HB3 LEU A 45 -11.512 5.471 -4.227 1.00 13.25 H new ATOM 0 HG LEU A 45 -10.136 3.322 -5.878 1.00 21.22 H new ATOM 0 HD11 LEU A 45 -8.292 3.561 -4.236 1.00 74.31 H new ATOM 0 HD12 LEU A 45 -8.598 5.069 -5.131 1.00 74.31 H new ATOM 0 HD13 LEU A 45 -9.176 4.895 -3.456 1.00 74.31 H new ATOM 0 HD21 LEU A 45 -10.117 1.927 -3.838 1.00 3.10 H new ATOM 0 HD22 LEU A 45 -11.140 3.130 -3.017 1.00 3.10 H new ATOM 0 HD23 LEU A 45 -11.766 2.243 -4.427 1.00 3.10 H new ATOM 773 N ALA A 46 -13.387 6.381 -7.081 1.00 2.40 N ATOM 774 CA ALA A 46 -14.083 7.606 -7.522 1.00 65.23 C ATOM 775 C ALA A 46 -15.546 7.328 -7.929 1.00 51.01 C ATOM 776 O ALA A 46 -16.375 8.249 -7.925 1.00 4.01 O ATOM 777 CB ALA A 46 -13.315 8.240 -8.693 1.00 51.20 C ATOM 0 H ALA A 46 -12.670 6.069 -7.735 1.00 2.40 H new ATOM 0 HA ALA A 46 -14.110 8.298 -6.680 1.00 65.23 H new ATOM 0 HB1 ALA A 46 -13.829 9.144 -9.018 1.00 51.20 H new ATOM 0 HB2 ALA A 46 -12.305 8.493 -8.371 1.00 51.20 H new ATOM 0 HB3 ALA A 46 -13.266 7.533 -9.521 1.00 51.20 H new ATOM 783 N GLU A 47 -15.858 6.064 -8.294 1.00 42.25 N ATOM 784 CA GLU A 47 -17.235 5.642 -8.598 1.00 1.31 C ATOM 785 C GLU A 47 -17.983 5.444 -7.278 1.00 34.41 C ATOM 786 O GLU A 47 -19.020 6.065 -7.025 1.00 33.23 O ATOM 787 CB GLU A 47 -17.279 4.304 -9.412 1.00 63.35 C ATOM 788 CG GLU A 47 -16.439 4.258 -10.708 1.00 60.15 C ATOM 789 CD GLU A 47 -16.694 5.421 -11.683 1.00 63.04 C ATOM 790 OE1 GLU A 47 -17.681 5.375 -12.442 1.00 30.20 O ATOM 791 OE2 GLU A 47 -15.890 6.380 -11.719 1.00 60.21 O ATOM 0 H GLU A 47 -15.168 5.319 -8.384 1.00 42.25 H new ATOM 0 HA GLU A 47 -17.700 6.416 -9.209 1.00 1.31 H new ATOM 0 HB2 GLU A 47 -16.945 3.497 -8.760 1.00 63.35 H new ATOM 0 HB3 GLU A 47 -18.317 4.096 -9.671 1.00 63.35 H new ATOM 0 HG2 GLU A 47 -15.383 4.252 -10.440 1.00 60.15 H new ATOM 0 HG3 GLU A 47 -16.642 3.319 -11.223 1.00 60.15 H new ATOM 798 N GLU A 48 -17.389 4.595 -6.422 1.00 41.45 N ATOM 799 CA GLU A 48 -18.012 4.090 -5.196 1.00 40.02 C ATOM 800 C GLU A 48 -17.263 4.599 -3.961 1.00 32.14 C ATOM 801 O GLU A 48 -16.142 4.170 -3.672 1.00 33.35 O ATOM 802 CB GLU A 48 -18.035 2.535 -5.219 1.00 61.42 C ATOM 803 CG GLU A 48 -18.763 1.922 -6.432 1.00 33.35 C ATOM 804 CD GLU A 48 -20.249 2.327 -6.525 1.00 32.13 C ATOM 805 OE1 GLU A 48 -21.087 1.730 -5.813 1.00 70.32 O ATOM 806 OE2 GLU A 48 -20.586 3.243 -7.301 1.00 54.02 O ATOM 0 H GLU A 48 -16.445 4.237 -6.569 1.00 41.45 H new ATOM 0 HA GLU A 48 -19.037 4.458 -5.144 1.00 40.02 H new ATOM 0 HB2 GLU A 48 -17.008 2.169 -5.205 1.00 61.42 H new ATOM 0 HB3 GLU A 48 -18.513 2.178 -4.307 1.00 61.42 H new ATOM 0 HG2 GLU A 48 -18.253 2.229 -7.345 1.00 33.35 H new ATOM 0 HG3 GLU A 48 -18.693 0.836 -6.377 1.00 33.35 H new ATOM 813 N LYS A 49 -17.875 5.556 -3.271 1.00 22.43 N ATOM 814 CA LYS A 49 -17.421 6.034 -1.947 1.00 55.14 C ATOM 815 C LYS A 49 -18.311 5.410 -0.853 1.00 2.01 C ATOM 816 O LYS A 49 -18.051 5.555 0.343 1.00 61.41 O ATOM 817 CB LYS A 49 -17.474 7.590 -1.876 1.00 63.03 C ATOM 818 CG LYS A 49 -16.483 8.357 -2.789 1.00 32.31 C ATOM 819 CD LYS A 49 -16.831 8.301 -4.301 1.00 73.54 C ATOM 820 CE LYS A 49 -18.198 8.925 -4.631 1.00 42.34 C ATOM 821 NZ LYS A 49 -18.501 8.850 -6.081 1.00 14.14 N ATOM 0 H LYS A 49 -18.710 6.034 -3.609 1.00 22.43 H new ATOM 0 HA LYS A 49 -16.387 5.729 -1.789 1.00 55.14 H new ATOM 0 HB2 LYS A 49 -18.486 7.909 -2.126 1.00 63.03 H new ATOM 0 HB3 LYS A 49 -17.291 7.891 -0.845 1.00 63.03 H new ATOM 0 HG2 LYS A 49 -16.451 9.400 -2.474 1.00 32.31 H new ATOM 0 HG3 LYS A 49 -15.483 7.949 -2.643 1.00 32.31 H new ATOM 0 HD2 LYS A 49 -16.056 8.820 -4.865 1.00 73.54 H new ATOM 0 HD3 LYS A 49 -16.824 7.262 -4.631 1.00 73.54 H new ATOM 0 HE2 LYS A 49 -18.978 8.410 -4.069 1.00 42.34 H new ATOM 0 HE3 LYS A 49 -18.209 9.967 -4.311 1.00 42.34 H new ATOM 0 HZ1 LYS A 49 -19.100 9.656 -6.353 1.00 14.14 H new ATOM 0 HZ2 LYS A 49 -17.614 8.880 -6.623 1.00 14.14 H new ATOM 0 HZ3 LYS A 49 -19.002 7.962 -6.285 1.00 14.14 H new ATOM 835 N ASN A 50 -19.333 4.659 -1.308 1.00 23.32 N ATOM 836 CA ASN A 50 -20.416 4.090 -0.481 1.00 51.15 C ATOM 837 C ASN A 50 -20.043 2.710 0.117 1.00 51.45 C ATOM 838 O ASN A 50 -20.921 1.879 0.381 1.00 70.32 O ATOM 839 CB ASN A 50 -21.699 3.999 -1.357 1.00 45.43 C ATOM 840 CG ASN A 50 -21.468 3.247 -2.676 1.00 1.21 C ATOM 841 OD1 ASN A 50 -21.067 3.842 -3.663 1.00 32.50 O ATOM 842 ND2 ASN A 50 -21.692 1.946 -2.695 1.00 12.43 N ATOM 0 H ASN A 50 -19.431 4.424 -2.296 1.00 23.32 H new ATOM 0 HA ASN A 50 -20.590 4.744 0.374 1.00 51.15 H new ATOM 0 HB2 ASN A 50 -22.485 3.498 -0.791 1.00 45.43 H new ATOM 0 HB3 ASN A 50 -22.056 5.005 -1.576 1.00 45.43 H new ATOM 0 HD21 ASN A 50 -21.530 1.413 -3.549 1.00 12.43 H new ATOM 0 HD22 ASN A 50 -22.027 1.474 -1.855 1.00 12.43 H new ATOM 849 N PHE A 51 -18.738 2.485 0.353 1.00 43.32 N ATOM 850 CA PHE A 51 -18.237 1.291 1.060 1.00 23.23 C ATOM 851 C PHE A 51 -16.976 1.650 1.863 1.00 52.42 C ATOM 852 O PHE A 51 -16.493 2.792 1.797 1.00 31.51 O ATOM 853 CB PHE A 51 -18.000 0.095 0.084 1.00 22.12 C ATOM 854 CG PHE A 51 -16.797 0.210 -0.855 1.00 72.12 C ATOM 855 CD1 PHE A 51 -16.738 1.199 -1.833 1.00 71.42 C ATOM 856 CD2 PHE A 51 -15.730 -0.690 -0.765 1.00 74.22 C ATOM 857 CE1 PHE A 51 -15.653 1.289 -2.682 1.00 72.22 C ATOM 858 CE2 PHE A 51 -14.653 -0.594 -1.616 1.00 34.22 C ATOM 859 CZ PHE A 51 -14.615 0.399 -2.571 1.00 64.10 C ATOM 0 H PHE A 51 -18.000 3.125 0.059 1.00 43.32 H new ATOM 0 HA PHE A 51 -19.000 0.957 1.762 1.00 23.23 H new ATOM 0 HB2 PHE A 51 -17.885 -0.812 0.677 1.00 22.12 H new ATOM 0 HB3 PHE A 51 -18.896 -0.033 -0.523 1.00 22.12 H new ATOM 0 HD1 PHE A 51 -17.550 1.904 -1.929 1.00 71.42 H new ATOM 0 HD2 PHE A 51 -15.752 -1.470 -0.018 1.00 74.22 H new ATOM 0 HE1 PHE A 51 -15.621 2.062 -3.435 1.00 72.22 H new ATOM 0 HE2 PHE A 51 -13.837 -1.297 -1.536 1.00 34.22 H new ATOM 0 HZ PHE A 51 -13.766 0.477 -3.234 1.00 64.10 H new ATOM 869 N GLU A 52 -16.458 0.666 2.610 1.00 42.21 N ATOM 870 CA GLU A 52 -15.341 0.845 3.560 1.00 53.21 C ATOM 871 C GLU A 52 -13.965 0.919 2.856 1.00 55.42 C ATOM 872 O GLU A 52 -13.866 0.818 1.622 1.00 5.42 O ATOM 873 CB GLU A 52 -15.352 -0.315 4.587 1.00 2.33 C ATOM 874 CG GLU A 52 -15.350 -1.722 3.954 1.00 44.21 C ATOM 875 CD GLU A 52 -14.980 -2.831 4.946 1.00 62.22 C ATOM 876 OE1 GLU A 52 -15.864 -3.269 5.712 1.00 25.51 O ATOM 877 OE2 GLU A 52 -13.802 -3.256 4.974 1.00 31.15 O ATOM 0 H GLU A 52 -16.805 -0.292 2.574 1.00 42.21 H new ATOM 0 HA GLU A 52 -15.487 1.800 4.065 1.00 53.21 H new ATOM 0 HB2 GLU A 52 -14.481 -0.219 5.235 1.00 2.33 H new ATOM 0 HB3 GLU A 52 -16.233 -0.216 5.221 1.00 2.33 H new ATOM 0 HG2 GLU A 52 -16.337 -1.928 3.540 1.00 44.21 H new ATOM 0 HG3 GLU A 52 -14.646 -1.738 3.122 1.00 44.21 H new ATOM 884 N LYS A 53 -12.914 1.079 3.690 1.00 22.42 N ATOM 885 CA LYS A 53 -11.513 1.299 3.260 1.00 54.13 C ATOM 886 C LYS A 53 -10.909 0.068 2.537 1.00 35.24 C ATOM 887 O LYS A 53 -11.316 -1.074 2.779 1.00 23.22 O ATOM 888 CB LYS A 53 -10.661 1.700 4.495 1.00 21.50 C ATOM 889 CG LYS A 53 -10.553 0.617 5.595 1.00 4.23 C ATOM 890 CD LYS A 53 -10.061 1.183 6.953 1.00 13.44 C ATOM 891 CE LYS A 53 -11.092 2.132 7.597 1.00 30.31 C ATOM 892 NZ LYS A 53 -10.658 2.639 8.930 1.00 24.43 N ATOM 0 H LYS A 53 -13.017 1.058 4.705 1.00 22.42 H new ATOM 0 HA LYS A 53 -11.505 2.107 2.529 1.00 54.13 H new ATOM 0 HB2 LYS A 53 -9.656 1.955 4.157 1.00 21.50 H new ATOM 0 HB3 LYS A 53 -11.088 2.602 4.935 1.00 21.50 H new ATOM 0 HG2 LYS A 53 -11.528 0.149 5.734 1.00 4.23 H new ATOM 0 HG3 LYS A 53 -9.869 -0.164 5.263 1.00 4.23 H new ATOM 0 HD2 LYS A 53 -9.854 0.358 7.635 1.00 13.44 H new ATOM 0 HD3 LYS A 53 -9.122 1.717 6.804 1.00 13.44 H new ATOM 0 HE2 LYS A 53 -11.266 2.977 6.931 1.00 30.31 H new ATOM 0 HE3 LYS A 53 -12.043 1.609 7.704 1.00 30.31 H new ATOM 0 HZ1 LYS A 53 -11.482 2.707 9.561 1.00 24.43 H new ATOM 0 HZ2 LYS A 53 -9.961 1.985 9.340 1.00 24.43 H new ATOM 0 HZ3 LYS A 53 -10.227 3.579 8.820 1.00 24.43 H new ATOM 906 N ILE A 54 -9.916 0.334 1.657 1.00 44.21 N ATOM 907 CA ILE A 54 -9.360 -0.664 0.712 1.00 41.52 C ATOM 908 C ILE A 54 -7.839 -0.804 0.945 1.00 74.44 C ATOM 909 O ILE A 54 -7.149 0.184 1.235 1.00 43.33 O ATOM 910 CB ILE A 54 -9.619 -0.273 -0.810 1.00 75.50 C ATOM 911 CG1 ILE A 54 -11.136 -0.017 -1.111 1.00 64.35 C ATOM 912 CG2 ILE A 54 -9.061 -1.342 -1.781 1.00 74.21 C ATOM 913 CD1 ILE A 54 -11.646 1.351 -0.698 1.00 70.51 C ATOM 0 H ILE A 54 -9.476 1.251 1.582 1.00 44.21 H new ATOM 0 HA ILE A 54 -9.870 -1.608 0.903 1.00 41.52 H new ATOM 0 HB ILE A 54 -9.082 0.661 -0.975 1.00 75.50 H new ATOM 0 HG12 ILE A 54 -11.306 -0.145 -2.180 1.00 64.35 H new ATOM 0 HG13 ILE A 54 -11.726 -0.778 -0.601 1.00 64.35 H new ATOM 0 HG21 ILE A 54 -9.258 -1.038 -2.809 1.00 74.21 H new ATOM 0 HG22 ILE A 54 -7.986 -1.443 -1.632 1.00 74.21 H new ATOM 0 HG23 ILE A 54 -9.546 -2.299 -1.586 1.00 74.21 H new ATOM 0 HD11 ILE A 54 -12.704 1.435 -0.946 1.00 70.51 H new ATOM 0 HD12 ILE A 54 -11.514 1.480 0.376 1.00 70.51 H new ATOM 0 HD13 ILE A 54 -11.087 2.123 -1.227 1.00 70.51 H new ATOM 925 N LEU A 55 -7.337 -2.038 0.813 1.00 30.22 N ATOM 926 CA LEU A 55 -5.909 -2.367 0.897 1.00 43.32 C ATOM 927 C LEU A 55 -5.376 -2.736 -0.506 1.00 65.14 C ATOM 928 O LEU A 55 -5.889 -3.647 -1.161 1.00 54.31 O ATOM 929 CB LEU A 55 -5.708 -3.532 1.906 1.00 61.53 C ATOM 930 CG LEU A 55 -4.215 -3.992 2.160 1.00 22.42 C ATOM 931 CD1 LEU A 55 -3.932 -4.184 3.664 1.00 64.04 C ATOM 932 CD2 LEU A 55 -3.854 -5.276 1.367 1.00 32.41 C ATOM 0 H LEU A 55 -7.925 -2.853 0.641 1.00 30.22 H new ATOM 0 HA LEU A 55 -5.346 -1.504 1.254 1.00 43.32 H new ATOM 0 HB2 LEU A 55 -6.142 -3.236 2.861 1.00 61.53 H new ATOM 0 HB3 LEU A 55 -6.275 -4.393 1.552 1.00 61.53 H new ATOM 0 HG LEU A 55 -3.576 -3.190 1.792 1.00 22.42 H new ATOM 0 HD11 LEU A 55 -2.898 -4.500 3.802 1.00 64.04 H new ATOM 0 HD12 LEU A 55 -4.097 -3.243 4.188 1.00 64.04 H new ATOM 0 HD13 LEU A 55 -4.601 -4.945 4.066 1.00 64.04 H new ATOM 0 HD21 LEU A 55 -2.820 -5.553 1.573 1.00 32.41 H new ATOM 0 HD22 LEU A 55 -4.514 -6.089 1.670 1.00 32.41 H new ATOM 0 HD23 LEU A 55 -3.974 -5.090 0.300 1.00 32.41 H new ATOM 944 N ILE A 56 -4.360 -1.993 -0.962 1.00 4.35 N ATOM 945 CA ILE A 56 -3.651 -2.247 -2.231 1.00 1.01 C ATOM 946 C ILE A 56 -2.254 -2.848 -1.926 1.00 30.14 C ATOM 947 O ILE A 56 -1.656 -2.538 -0.904 1.00 2.40 O ATOM 948 CB ILE A 56 -3.482 -0.908 -3.064 1.00 71.12 C ATOM 949 CG1 ILE A 56 -4.851 -0.159 -3.250 1.00 44.41 C ATOM 950 CG2 ILE A 56 -2.808 -1.168 -4.440 1.00 33.33 C ATOM 951 CD1 ILE A 56 -5.912 -0.921 -4.032 1.00 35.52 C ATOM 0 H ILE A 56 -3.999 -1.185 -0.455 1.00 4.35 H new ATOM 0 HA ILE A 56 -4.238 -2.948 -2.824 1.00 1.01 H new ATOM 0 HB ILE A 56 -2.824 -0.261 -2.485 1.00 71.12 H new ATOM 0 HG12 ILE A 56 -5.252 0.080 -2.265 1.00 44.41 H new ATOM 0 HG13 ILE A 56 -4.662 0.788 -3.755 1.00 44.41 H new ATOM 0 HG21 ILE A 56 -2.710 -0.227 -4.981 1.00 33.33 H new ATOM 0 HG22 ILE A 56 -1.820 -1.602 -4.285 1.00 33.33 H new ATOM 0 HG23 ILE A 56 -3.421 -1.858 -5.021 1.00 33.33 H new ATOM 0 HD11 ILE A 56 -6.816 -0.316 -4.103 1.00 35.52 H new ATOM 0 HD12 ILE A 56 -5.541 -1.137 -5.034 1.00 35.52 H new ATOM 0 HD13 ILE A 56 -6.140 -1.856 -3.520 1.00 35.52 H new ATOM 963 N ILE A 57 -1.782 -3.743 -2.802 1.00 12.02 N ATOM 964 CA ILE A 57 -0.406 -4.278 -2.805 1.00 43.53 C ATOM 965 C ILE A 57 0.168 -4.051 -4.223 1.00 73.11 C ATOM 966 O ILE A 57 -0.590 -4.029 -5.183 1.00 54.35 O ATOM 967 CB ILE A 57 -0.379 -5.825 -2.443 1.00 24.14 C ATOM 968 CG1 ILE A 57 -1.035 -6.091 -1.044 1.00 33.50 C ATOM 969 CG2 ILE A 57 1.061 -6.402 -2.497 1.00 73.12 C ATOM 970 CD1 ILE A 57 -1.075 -7.557 -0.618 1.00 52.15 C ATOM 0 H ILE A 57 -2.358 -4.128 -3.550 1.00 12.02 H new ATOM 0 HA ILE A 57 0.192 -3.768 -2.050 1.00 43.53 H new ATOM 0 HB ILE A 57 -0.970 -6.343 -3.198 1.00 24.14 H new ATOM 0 HG12 ILE A 57 -0.489 -5.524 -0.290 1.00 33.50 H new ATOM 0 HG13 ILE A 57 -2.054 -5.704 -1.058 1.00 33.50 H new ATOM 0 HG21 ILE A 57 1.038 -7.462 -2.243 1.00 73.12 H new ATOM 0 HG22 ILE A 57 1.465 -6.278 -3.502 1.00 73.12 H new ATOM 0 HG23 ILE A 57 1.692 -5.872 -1.784 1.00 73.12 H new ATOM 0 HD11 ILE A 57 -1.546 -7.639 0.361 1.00 52.15 H new ATOM 0 HD12 ILE A 57 -1.648 -8.132 -1.345 1.00 52.15 H new ATOM 0 HD13 ILE A 57 -0.059 -7.948 -0.565 1.00 52.15 H new ATOM 982 N SER A 58 1.486 -3.850 -4.344 1.00 71.45 N ATOM 983 CA SER A 58 2.174 -3.729 -5.643 1.00 14.41 C ATOM 984 C SER A 58 3.652 -4.115 -5.476 1.00 41.22 C ATOM 985 O SER A 58 4.224 -3.950 -4.395 1.00 55.45 O ATOM 986 CB SER A 58 2.047 -2.291 -6.214 1.00 51.31 C ATOM 987 OG SER A 58 2.624 -2.191 -7.510 1.00 34.44 O ATOM 0 H SER A 58 2.111 -3.766 -3.542 1.00 71.45 H new ATOM 0 HA SER A 58 1.701 -4.407 -6.354 1.00 14.41 H new ATOM 0 HB2 SER A 58 0.995 -2.009 -6.260 1.00 51.31 H new ATOM 0 HB3 SER A 58 2.537 -1.587 -5.541 1.00 51.31 H new ATOM 0 HG SER A 58 2.232 -2.871 -8.096 1.00 34.44 H new ATOM 993 N ASN A 59 4.258 -4.634 -6.554 1.00 41.55 N ATOM 994 CA ASN A 59 5.669 -5.074 -6.559 1.00 20.25 C ATOM 995 C ASN A 59 6.583 -3.887 -6.915 1.00 31.01 C ATOM 996 O ASN A 59 7.672 -3.725 -6.351 1.00 74.15 O ATOM 997 CB ASN A 59 5.878 -6.230 -7.580 1.00 64.20 C ATOM 998 CG ASN A 59 4.872 -7.378 -7.431 1.00 3.54 C ATOM 999 OD1 ASN A 59 5.101 -8.337 -6.699 1.00 21.11 O ATOM 1000 ND2 ASN A 59 3.740 -7.281 -8.125 1.00 33.34 N ATOM 0 H ASN A 59 3.787 -4.762 -7.450 1.00 41.55 H new ATOM 0 HA ASN A 59 5.924 -5.441 -5.565 1.00 20.25 H new ATOM 0 HB2 ASN A 59 5.808 -5.827 -8.590 1.00 64.20 H new ATOM 0 HB3 ASN A 59 6.887 -6.626 -7.464 1.00 64.20 H new ATOM 0 HD21 ASN A 59 3.035 -8.015 -8.057 1.00 33.34 H new ATOM 0 HD22 ASN A 59 3.577 -6.472 -8.725 1.00 33.34 H new ATOM 1007 N ASP A 60 6.106 -3.050 -7.855 1.00 63.25 N ATOM 1008 CA ASP A 60 6.857 -1.897 -8.396 1.00 0.13 C ATOM 1009 C ASP A 60 6.476 -0.605 -7.646 1.00 73.13 C ATOM 1010 O ASP A 60 5.311 -0.404 -7.277 1.00 73.04 O ATOM 1011 CB ASP A 60 6.580 -1.768 -9.919 1.00 44.31 C ATOM 1012 CG ASP A 60 7.272 -0.570 -10.598 1.00 53.53 C ATOM 1013 OD1 ASP A 60 8.494 -0.631 -10.853 1.00 33.05 O ATOM 1014 OD2 ASP A 60 6.599 0.441 -10.868 1.00 51.11 O ATOM 0 H ASP A 60 5.178 -3.155 -8.266 1.00 63.25 H new ATOM 0 HA ASP A 60 7.925 -2.059 -8.249 1.00 0.13 H new ATOM 0 HB2 ASP A 60 6.903 -2.685 -10.413 1.00 44.31 H new ATOM 0 HB3 ASP A 60 5.504 -1.685 -10.073 1.00 44.31 H new ATOM 1019 N LYS A 61 7.480 0.266 -7.453 1.00 60.33 N ATOM 1020 CA LYS A 61 7.358 1.501 -6.651 1.00 61.41 C ATOM 1021 C LYS A 61 6.824 2.684 -7.479 1.00 24.03 C ATOM 1022 O LYS A 61 6.275 3.636 -6.916 1.00 24.24 O ATOM 1023 CB LYS A 61 8.726 1.867 -6.026 1.00 55.11 C ATOM 1024 CG LYS A 61 9.300 0.780 -5.101 1.00 35.31 C ATOM 1025 CD LYS A 61 10.626 1.203 -4.433 1.00 44.21 C ATOM 1026 CE LYS A 61 11.222 0.092 -3.554 1.00 11.34 C ATOM 1027 NZ LYS A 61 11.570 -1.122 -4.346 1.00 61.52 N ATOM 0 H LYS A 61 8.409 0.134 -7.852 1.00 60.33 H new ATOM 0 HA LYS A 61 6.634 1.304 -5.860 1.00 61.41 H new ATOM 0 HB2 LYS A 61 9.439 2.063 -6.827 1.00 55.11 H new ATOM 0 HB3 LYS A 61 8.620 2.793 -5.460 1.00 55.11 H new ATOM 0 HG2 LYS A 61 8.568 0.543 -4.328 1.00 35.31 H new ATOM 0 HG3 LYS A 61 9.463 -0.132 -5.676 1.00 35.31 H new ATOM 0 HD2 LYS A 61 11.346 1.478 -5.204 1.00 44.21 H new ATOM 0 HD3 LYS A 61 10.456 2.091 -3.825 1.00 44.21 H new ATOM 0 HE2 LYS A 61 12.115 0.466 -3.053 1.00 11.34 H new ATOM 0 HE3 LYS A 61 10.508 -0.176 -2.775 1.00 11.34 H new ATOM 0 HZ1 LYS A 61 11.984 -1.840 -3.717 1.00 61.52 H new ATOM 0 HZ2 LYS A 61 10.711 -1.505 -4.790 1.00 61.52 H new ATOM 0 HZ3 LYS A 61 12.258 -0.870 -5.084 1.00 61.52 H new ATOM 1041 N GLN A 62 6.999 2.630 -8.809 1.00 44.33 N ATOM 1042 CA GLN A 62 6.501 3.686 -9.715 1.00 44.23 C ATOM 1043 C GLN A 62 4.982 3.540 -9.932 1.00 45.20 C ATOM 1044 O GLN A 62 4.306 4.517 -10.265 1.00 13.14 O ATOM 1045 CB GLN A 62 7.274 3.669 -11.062 1.00 63.14 C ATOM 1046 CG GLN A 62 8.786 4.002 -10.948 1.00 61.24 C ATOM 1047 CD GLN A 62 9.108 5.462 -10.549 1.00 23.40 C ATOM 1048 OE1 GLN A 62 8.361 6.126 -9.819 1.00 71.32 O ATOM 1049 NE2 GLN A 62 10.230 5.978 -11.037 1.00 14.51 N ATOM 0 H GLN A 62 7.481 1.867 -9.284 1.00 44.33 H new ATOM 0 HA GLN A 62 6.679 4.655 -9.248 1.00 44.23 H new ATOM 0 HB2 GLN A 62 7.166 2.683 -11.514 1.00 63.14 H new ATOM 0 HB3 GLN A 62 6.809 4.384 -11.741 1.00 63.14 H new ATOM 0 HG2 GLN A 62 9.235 3.333 -10.213 1.00 61.24 H new ATOM 0 HG3 GLN A 62 9.262 3.790 -11.905 1.00 61.24 H new ATOM 0 HE21 GLN A 62 10.832 5.414 -11.637 1.00 14.51 H new ATOM 0 HE22 GLN A 62 10.490 6.938 -10.812 1.00 14.51 H new ATOM 1058 N LEU A 63 4.461 2.310 -9.721 1.00 42.23 N ATOM 1059 CA LEU A 63 3.011 2.051 -9.682 1.00 75.33 C ATOM 1060 C LEU A 63 2.406 2.722 -8.438 1.00 12.01 C ATOM 1061 O LEU A 63 1.334 3.368 -8.505 1.00 50.35 O ATOM 1062 CB LEU A 63 2.709 0.528 -9.658 1.00 74.25 C ATOM 1063 CG LEU A 63 3.170 -0.291 -10.901 1.00 61.15 C ATOM 1064 CD1 LEU A 63 2.732 -1.759 -10.783 1.00 64.44 C ATOM 1065 CD2 LEU A 63 2.656 0.329 -12.211 1.00 73.24 C ATOM 0 H LEU A 63 5.032 1.478 -9.574 1.00 42.23 H new ATOM 0 HA LEU A 63 2.563 2.468 -10.584 1.00 75.33 H new ATOM 0 HB2 LEU A 63 3.181 0.100 -8.773 1.00 74.25 H new ATOM 0 HB3 LEU A 63 1.633 0.395 -9.541 1.00 74.25 H new ATOM 0 HG LEU A 63 4.259 -0.259 -10.928 1.00 61.15 H new ATOM 0 HD11 LEU A 63 3.065 -2.310 -11.662 1.00 64.44 H new ATOM 0 HD12 LEU A 63 3.174 -2.200 -9.889 1.00 64.44 H new ATOM 0 HD13 LEU A 63 1.645 -1.810 -10.713 1.00 64.44 H new ATOM 0 HD21 LEU A 63 2.998 -0.270 -13.055 1.00 73.24 H new ATOM 0 HD22 LEU A 63 1.566 0.352 -12.200 1.00 73.24 H new ATOM 0 HD23 LEU A 63 3.039 1.345 -12.308 1.00 73.24 H new ATOM 1077 N LEU A 64 3.126 2.550 -7.300 1.00 11.13 N ATOM 1078 CA LEU A 64 2.780 3.190 -6.028 1.00 32.15 C ATOM 1079 C LEU A 64 2.686 4.696 -6.224 1.00 61.22 C ATOM 1080 O LEU A 64 1.677 5.272 -5.875 1.00 21.25 O ATOM 1081 CB LEU A 64 3.819 2.873 -4.923 1.00 3.21 C ATOM 1082 CG LEU A 64 4.006 1.373 -4.571 1.00 41.00 C ATOM 1083 CD1 LEU A 64 5.146 1.202 -3.559 1.00 13.13 C ATOM 1084 CD2 LEU A 64 2.688 0.748 -4.053 1.00 4.42 C ATOM 0 H LEU A 64 3.959 1.963 -7.250 1.00 11.13 H new ATOM 0 HA LEU A 64 1.818 2.793 -5.705 1.00 32.15 H new ATOM 0 HB2 LEU A 64 4.783 3.275 -5.233 1.00 3.21 H new ATOM 0 HB3 LEU A 64 3.529 3.404 -4.017 1.00 3.21 H new ATOM 0 HG LEU A 64 4.277 0.838 -5.481 1.00 41.00 H new ATOM 0 HD11 LEU A 64 5.266 0.145 -3.321 1.00 13.13 H new ATOM 0 HD12 LEU A 64 6.073 1.585 -3.987 1.00 13.13 H new ATOM 0 HD13 LEU A 64 4.911 1.754 -2.649 1.00 13.13 H new ATOM 0 HD21 LEU A 64 2.852 -0.303 -3.815 1.00 4.42 H new ATOM 0 HD22 LEU A 64 2.362 1.276 -3.157 1.00 4.42 H new ATOM 0 HD23 LEU A 64 1.920 0.830 -4.822 1.00 4.42 H new ATOM 1096 N LYS A 65 3.731 5.291 -6.861 1.00 12.44 N ATOM 1097 CA LYS A 65 3.848 6.750 -7.097 1.00 73.34 C ATOM 1098 C LYS A 65 2.538 7.316 -7.681 1.00 42.11 C ATOM 1099 O LYS A 65 1.960 8.251 -7.117 1.00 21.02 O ATOM 1100 CB LYS A 65 5.046 7.035 -8.060 1.00 42.43 C ATOM 1101 CG LYS A 65 5.234 8.524 -8.481 1.00 54.51 C ATOM 1102 CD LYS A 65 5.579 9.463 -7.294 1.00 5.45 C ATOM 1103 CE LYS A 65 6.938 9.146 -6.646 1.00 50.30 C ATOM 1104 NZ LYS A 65 7.257 10.095 -5.555 1.00 74.11 N ATOM 0 H LYS A 65 4.522 4.762 -7.228 1.00 12.44 H new ATOM 0 HA LYS A 65 4.033 7.246 -6.144 1.00 73.34 H new ATOM 0 HB2 LYS A 65 5.963 6.693 -7.580 1.00 42.43 H new ATOM 0 HB3 LYS A 65 4.915 6.435 -8.961 1.00 42.43 H new ATOM 0 HG2 LYS A 65 6.028 8.586 -9.226 1.00 54.51 H new ATOM 0 HG3 LYS A 65 4.320 8.876 -8.959 1.00 54.51 H new ATOM 0 HD2 LYS A 65 5.583 10.495 -7.645 1.00 5.45 H new ATOM 0 HD3 LYS A 65 4.797 9.386 -6.539 1.00 5.45 H new ATOM 0 HE2 LYS A 65 6.926 8.130 -6.253 1.00 50.30 H new ATOM 0 HE3 LYS A 65 7.721 9.185 -7.403 1.00 50.30 H new ATOM 0 HZ1 LYS A 65 7.756 9.593 -4.793 1.00 74.11 H new ATOM 0 HZ2 LYS A 65 7.863 10.856 -5.923 1.00 74.11 H new ATOM 0 HZ3 LYS A 65 6.376 10.503 -5.181 1.00 74.11 H new ATOM 1118 N GLU A 66 2.077 6.684 -8.787 1.00 31.34 N ATOM 1119 CA GLU A 66 0.830 7.049 -9.490 1.00 3.05 C ATOM 1120 C GLU A 66 -0.370 7.075 -8.521 1.00 24.02 C ATOM 1121 O GLU A 66 -1.062 8.097 -8.401 1.00 0.14 O ATOM 1122 CB GLU A 66 0.563 6.045 -10.647 1.00 3.12 C ATOM 1123 CG GLU A 66 1.702 5.952 -11.679 1.00 71.00 C ATOM 1124 CD GLU A 66 1.462 4.853 -12.729 1.00 64.13 C ATOM 1125 OE1 GLU A 66 1.854 3.694 -12.498 1.00 73.33 O ATOM 1126 OE2 GLU A 66 0.866 5.143 -13.786 1.00 50.43 O ATOM 0 H GLU A 66 2.567 5.900 -9.218 1.00 31.34 H new ATOM 0 HA GLU A 66 0.951 8.051 -9.902 1.00 3.05 H new ATOM 0 HB2 GLU A 66 0.391 5.056 -10.222 1.00 3.12 H new ATOM 0 HB3 GLU A 66 -0.354 6.335 -11.160 1.00 3.12 H new ATOM 0 HG2 GLU A 66 1.810 6.913 -12.182 1.00 71.00 H new ATOM 0 HG3 GLU A 66 2.641 5.756 -11.161 1.00 71.00 H new ATOM 1133 N MET A 67 -0.561 5.952 -7.801 1.00 25.15 N ATOM 1134 CA MET A 67 -1.710 5.770 -6.893 1.00 21.44 C ATOM 1135 C MET A 67 -1.685 6.771 -5.711 1.00 41.30 C ATOM 1136 O MET A 67 -2.690 7.410 -5.450 1.00 65.34 O ATOM 1137 CB MET A 67 -1.768 4.302 -6.393 1.00 32.52 C ATOM 1138 CG MET A 67 -2.146 3.289 -7.478 1.00 1.34 C ATOM 1139 SD MET A 67 -2.253 1.582 -6.874 1.00 64.30 S ATOM 1140 CE MET A 67 -0.526 1.126 -6.702 1.00 54.11 C ATOM 0 H MET A 67 0.071 5.152 -7.832 1.00 25.15 H new ATOM 0 HA MET A 67 -2.619 5.982 -7.457 1.00 21.44 H new ATOM 0 HB2 MET A 67 -0.796 4.031 -5.980 1.00 32.52 H new ATOM 0 HB3 MET A 67 -2.490 4.234 -5.580 1.00 32.52 H new ATOM 0 HG2 MET A 67 -3.106 3.573 -7.910 1.00 1.34 H new ATOM 0 HG3 MET A 67 -1.409 3.336 -8.280 1.00 1.34 H new ATOM 0 HE1 MET A 67 -0.266 0.392 -7.465 1.00 54.11 H new ATOM 0 HE2 MET A 67 0.098 2.012 -6.822 1.00 54.11 H new ATOM 0 HE3 MET A 67 -0.360 0.697 -5.714 1.00 54.11 H new ATOM 1150 N LEU A 68 -0.517 6.918 -5.046 1.00 71.52 N ATOM 1151 CA LEU A 68 -0.324 7.808 -3.864 1.00 44.23 C ATOM 1152 C LEU A 68 -0.808 9.238 -4.156 1.00 11.24 C ATOM 1153 O LEU A 68 -1.427 9.889 -3.305 1.00 44.45 O ATOM 1154 CB LEU A 68 1.179 7.850 -3.450 1.00 44.51 C ATOM 1155 CG LEU A 68 1.828 6.486 -3.061 1.00 10.54 C ATOM 1156 CD1 LEU A 68 3.347 6.619 -2.883 1.00 53.20 C ATOM 1157 CD2 LEU A 68 1.178 5.877 -1.808 1.00 60.51 C ATOM 0 H LEU A 68 0.332 6.419 -5.313 1.00 71.52 H new ATOM 0 HA LEU A 68 -0.917 7.397 -3.047 1.00 44.23 H new ATOM 0 HB2 LEU A 68 1.749 8.277 -4.275 1.00 44.51 H new ATOM 0 HB3 LEU A 68 1.282 8.531 -2.605 1.00 44.51 H new ATOM 0 HG LEU A 68 1.645 5.800 -3.888 1.00 10.54 H new ATOM 0 HD11 LEU A 68 3.768 5.651 -2.612 1.00 53.20 H new ATOM 0 HD12 LEU A 68 3.794 6.961 -3.816 1.00 53.20 H new ATOM 0 HD13 LEU A 68 3.559 7.340 -2.094 1.00 53.20 H new ATOM 0 HD21 LEU A 68 1.660 4.928 -1.573 1.00 60.51 H new ATOM 0 HD22 LEU A 68 1.295 6.562 -0.968 1.00 60.51 H new ATOM 0 HD23 LEU A 68 0.117 5.709 -1.994 1.00 60.51 H new ATOM 1169 N GLU A 69 -0.517 9.697 -5.383 1.00 50.13 N ATOM 1170 CA GLU A 69 -0.878 11.033 -5.852 1.00 35.31 C ATOM 1171 C GLU A 69 -2.387 11.126 -6.136 1.00 45.20 C ATOM 1172 O GLU A 69 -3.038 12.059 -5.668 1.00 20.11 O ATOM 1173 CB GLU A 69 -0.046 11.392 -7.102 1.00 24.40 C ATOM 1174 CG GLU A 69 1.480 11.394 -6.859 1.00 43.15 C ATOM 1175 CD GLU A 69 2.292 11.595 -8.148 1.00 21.21 C ATOM 1176 OE1 GLU A 69 2.313 10.670 -8.987 1.00 11.20 O ATOM 1177 OE2 GLU A 69 2.898 12.676 -8.336 1.00 13.10 O ATOM 0 H GLU A 69 -0.020 9.142 -6.080 1.00 50.13 H new ATOM 0 HA GLU A 69 -0.651 11.756 -5.069 1.00 35.31 H new ATOM 0 HB2 GLU A 69 -0.277 10.682 -7.896 1.00 24.40 H new ATOM 0 HB3 GLU A 69 -0.349 12.377 -7.457 1.00 24.40 H new ATOM 0 HG2 GLU A 69 1.729 12.185 -6.152 1.00 43.15 H new ATOM 0 HG3 GLU A 69 1.770 10.451 -6.397 1.00 43.15 H new ATOM 1184 N LEU A 70 -2.931 10.126 -6.872 1.00 5.44 N ATOM 1185 CA LEU A 70 -4.349 10.121 -7.310 1.00 41.01 C ATOM 1186 C LEU A 70 -5.326 10.064 -6.114 1.00 52.03 C ATOM 1187 O LEU A 70 -6.242 10.878 -6.025 1.00 12.50 O ATOM 1188 CB LEU A 70 -4.602 8.964 -8.315 1.00 20.02 C ATOM 1189 CG LEU A 70 -3.880 9.109 -9.694 1.00 32.35 C ATOM 1190 CD1 LEU A 70 -4.077 7.859 -10.565 1.00 1.34 C ATOM 1191 CD2 LEU A 70 -4.341 10.386 -10.435 1.00 71.45 C ATOM 0 H LEU A 70 -2.405 9.307 -7.177 1.00 5.44 H new ATOM 0 HA LEU A 70 -4.543 11.064 -7.821 1.00 41.01 H new ATOM 0 HB2 LEU A 70 -4.285 8.028 -7.854 1.00 20.02 H new ATOM 0 HB3 LEU A 70 -5.675 8.886 -8.491 1.00 20.02 H new ATOM 0 HG LEU A 70 -2.812 9.206 -9.497 1.00 32.35 H new ATOM 0 HD11 LEU A 70 -3.562 7.994 -11.516 1.00 1.34 H new ATOM 0 HD12 LEU A 70 -3.668 6.989 -10.051 1.00 1.34 H new ATOM 0 HD13 LEU A 70 -5.141 7.706 -10.747 1.00 1.34 H new ATOM 0 HD21 LEU A 70 -3.822 10.460 -11.391 1.00 71.45 H new ATOM 0 HD22 LEU A 70 -5.416 10.338 -10.609 1.00 71.45 H new ATOM 0 HD23 LEU A 70 -4.111 11.262 -9.828 1.00 71.45 H new ATOM 1203 N ILE A 71 -5.066 9.126 -5.188 1.00 72.24 N ATOM 1204 CA ILE A 71 -5.844 8.913 -3.937 1.00 44.25 C ATOM 1205 C ILE A 71 -5.948 10.218 -3.099 1.00 61.02 C ATOM 1206 O ILE A 71 -7.002 10.511 -2.492 1.00 43.24 O ATOM 1207 CB ILE A 71 -5.163 7.748 -3.105 1.00 62.21 C ATOM 1208 CG1 ILE A 71 -5.234 6.399 -3.901 1.00 2.04 C ATOM 1209 CG2 ILE A 71 -5.771 7.585 -1.694 1.00 11.13 C ATOM 1210 CD1 ILE A 71 -4.389 5.269 -3.324 1.00 14.32 C ATOM 0 H ILE A 71 -4.289 8.472 -5.283 1.00 72.24 H new ATOM 0 HA ILE A 71 -6.864 8.628 -4.194 1.00 44.25 H new ATOM 0 HB ILE A 71 -4.119 8.026 -2.962 1.00 62.21 H new ATOM 0 HG12 ILE A 71 -6.273 6.072 -3.942 1.00 2.04 H new ATOM 0 HG13 ILE A 71 -4.917 6.582 -4.928 1.00 2.04 H new ATOM 0 HG21 ILE A 71 -5.265 6.773 -1.171 1.00 11.13 H new ATOM 0 HG22 ILE A 71 -5.644 8.511 -1.134 1.00 11.13 H new ATOM 0 HG23 ILE A 71 -6.833 7.355 -1.780 1.00 11.13 H new ATOM 0 HD11 ILE A 71 -4.503 4.378 -3.941 1.00 14.32 H new ATOM 0 HD12 ILE A 71 -3.341 5.569 -3.309 1.00 14.32 H new ATOM 0 HD13 ILE A 71 -4.718 5.051 -2.308 1.00 14.32 H new ATOM 1222 N SER A 72 -4.858 11.010 -3.123 1.00 12.13 N ATOM 1223 CA SER A 72 -4.752 12.286 -2.396 1.00 71.14 C ATOM 1224 C SER A 72 -5.855 13.283 -2.836 1.00 53.41 C ATOM 1225 O SER A 72 -6.582 13.814 -1.982 1.00 63.11 O ATOM 1226 CB SER A 72 -3.344 12.888 -2.603 1.00 24.20 C ATOM 1227 OG SER A 72 -3.137 14.057 -1.829 1.00 12.42 O ATOM 0 H SER A 72 -4.019 10.777 -3.654 1.00 12.13 H new ATOM 0 HA SER A 72 -4.901 12.093 -1.334 1.00 71.14 H new ATOM 0 HB2 SER A 72 -2.592 12.144 -2.341 1.00 24.20 H new ATOM 0 HB3 SER A 72 -3.204 13.125 -3.658 1.00 24.20 H new ATOM 0 HG SER A 72 -2.234 14.401 -1.991 1.00 12.42 H new ATOM 1233 N LYS A 73 -6.012 13.499 -4.170 1.00 72.32 N ATOM 1234 CA LYS A 73 -7.056 14.423 -4.703 1.00 4.02 C ATOM 1235 C LYS A 73 -8.412 13.708 -4.881 1.00 4.35 C ATOM 1236 O LYS A 73 -9.417 14.360 -5.190 1.00 53.25 O ATOM 1237 CB LYS A 73 -6.643 15.162 -6.017 1.00 32.22 C ATOM 1238 CG LYS A 73 -6.470 14.287 -7.290 1.00 3.54 C ATOM 1239 CD LYS A 73 -5.078 13.641 -7.402 1.00 1.41 C ATOM 1240 CE LYS A 73 -3.937 14.661 -7.597 1.00 25.41 C ATOM 1241 NZ LYS A 73 -4.015 15.330 -8.922 1.00 14.12 N ATOM 0 H LYS A 73 -5.440 13.055 -4.888 1.00 72.32 H new ATOM 0 HA LYS A 73 -7.164 15.197 -3.943 1.00 4.02 H new ATOM 0 HB2 LYS A 73 -7.393 15.924 -6.228 1.00 32.22 H new ATOM 0 HB3 LYS A 73 -5.703 15.683 -5.833 1.00 32.22 H new ATOM 0 HG2 LYS A 73 -7.227 13.503 -7.289 1.00 3.54 H new ATOM 0 HG3 LYS A 73 -6.649 14.902 -8.172 1.00 3.54 H new ATOM 0 HD2 LYS A 73 -4.883 13.059 -6.501 1.00 1.41 H new ATOM 0 HD3 LYS A 73 -5.077 12.943 -8.239 1.00 1.41 H new ATOM 0 HE2 LYS A 73 -3.982 15.411 -6.808 1.00 25.41 H new ATOM 0 HE3 LYS A 73 -2.977 14.155 -7.501 1.00 25.41 H new ATOM 0 HZ1 LYS A 73 -3.203 15.970 -9.036 1.00 14.12 H new ATOM 0 HZ2 LYS A 73 -3.998 14.613 -9.675 1.00 14.12 H new ATOM 0 HZ3 LYS A 73 -4.898 15.876 -8.984 1.00 14.12 H new ATOM 1255 N LEU A 74 -8.442 12.367 -4.691 1.00 73.45 N ATOM 1256 CA LEU A 74 -9.716 11.627 -4.550 1.00 35.30 C ATOM 1257 C LEU A 74 -10.331 11.948 -3.172 1.00 22.11 C ATOM 1258 O LEU A 74 -11.535 11.807 -2.975 1.00 23.54 O ATOM 1259 CB LEU A 74 -9.531 10.085 -4.706 1.00 23.22 C ATOM 1260 CG LEU A 74 -9.148 9.556 -6.125 1.00 31.41 C ATOM 1261 CD1 LEU A 74 -8.974 8.014 -6.127 1.00 3.52 C ATOM 1262 CD2 LEU A 74 -10.181 10.010 -7.178 1.00 44.30 C ATOM 0 H LEU A 74 -7.608 11.783 -4.633 1.00 73.45 H new ATOM 0 HA LEU A 74 -10.382 11.948 -5.351 1.00 35.30 H new ATOM 0 HB2 LEU A 74 -8.760 9.764 -4.005 1.00 23.22 H new ATOM 0 HB3 LEU A 74 -10.459 9.600 -4.403 1.00 23.22 H new ATOM 0 HG LEU A 74 -8.185 9.989 -6.395 1.00 31.41 H new ATOM 0 HD11 LEU A 74 -8.708 7.679 -7.130 1.00 3.52 H new ATOM 0 HD12 LEU A 74 -8.184 7.736 -5.430 1.00 3.52 H new ATOM 0 HD13 LEU A 74 -9.908 7.542 -5.823 1.00 3.52 H new ATOM 0 HD21 LEU A 74 -9.893 9.630 -8.158 1.00 44.30 H new ATOM 0 HD22 LEU A 74 -11.165 9.623 -6.913 1.00 44.30 H new ATOM 0 HD23 LEU A 74 -10.216 11.099 -7.208 1.00 44.30 H new ATOM 1274 N GLY A 75 -9.471 12.344 -2.216 1.00 25.04 N ATOM 1275 CA GLY A 75 -9.915 12.854 -0.913 1.00 52.42 C ATOM 1276 C GLY A 75 -9.885 11.773 0.140 1.00 44.12 C ATOM 1277 O GLY A 75 -10.795 11.657 0.976 1.00 54.13 O ATOM 0 H GLY A 75 -8.457 12.319 -2.327 1.00 25.04 H new ATOM 0 HA2 GLY A 75 -9.274 13.681 -0.606 1.00 52.42 H new ATOM 0 HA3 GLY A 75 -10.927 13.250 -1.001 1.00 52.42 H new ATOM 1281 N TYR A 76 -8.829 10.959 0.069 1.00 42.34 N ATOM 1282 CA TYR A 76 -8.612 9.820 0.966 1.00 24.40 C ATOM 1283 C TYR A 76 -7.257 9.961 1.659 1.00 5.25 C ATOM 1284 O TYR A 76 -6.331 10.580 1.109 1.00 15.02 O ATOM 1285 CB TYR A 76 -8.641 8.487 0.177 1.00 51.04 C ATOM 1286 CG TYR A 76 -9.885 8.239 -0.684 1.00 60.34 C ATOM 1287 CD1 TYR A 76 -11.170 8.550 -0.229 1.00 51.23 C ATOM 1288 CD2 TYR A 76 -9.770 7.662 -1.949 1.00 24.42 C ATOM 1289 CE1 TYR A 76 -12.278 8.298 -1.006 1.00 2.02 C ATOM 1290 CE2 TYR A 76 -10.878 7.418 -2.720 1.00 33.43 C ATOM 1291 CZ TYR A 76 -12.126 7.735 -2.248 1.00 63.53 C ATOM 1292 OH TYR A 76 -13.229 7.473 -3.018 1.00 44.22 O ATOM 0 H TYR A 76 -8.089 11.074 -0.624 1.00 42.34 H new ATOM 0 HA TYR A 76 -9.411 9.810 1.707 1.00 24.40 H new ATOM 0 HB2 TYR A 76 -7.764 8.452 -0.469 1.00 51.04 H new ATOM 0 HB3 TYR A 76 -8.546 7.666 0.887 1.00 51.04 H new ATOM 0 HD1 TYR A 76 -11.295 8.995 0.747 1.00 51.23 H new ATOM 0 HD2 TYR A 76 -8.792 7.403 -2.328 1.00 24.42 H new ATOM 0 HE1 TYR A 76 -13.264 8.543 -0.639 1.00 2.02 H new ATOM 0 HE2 TYR A 76 -10.767 6.976 -3.699 1.00 33.43 H new ATOM 0 HH TYR A 76 -12.987 7.531 -3.966 1.00 44.22 H new ATOM 1302 N LYS A 77 -7.159 9.386 2.863 1.00 4.34 N ATOM 1303 CA LYS A 77 -5.905 9.260 3.595 1.00 73.34 C ATOM 1304 C LYS A 77 -4.963 8.284 2.863 1.00 54.24 C ATOM 1305 O LYS A 77 -5.302 7.108 2.662 1.00 3.41 O ATOM 1306 CB LYS A 77 -6.168 8.777 5.048 1.00 73.10 C ATOM 1307 CG LYS A 77 -4.902 8.699 5.931 1.00 3.32 C ATOM 1308 CD LYS A 77 -4.164 10.060 6.000 1.00 25.32 C ATOM 1309 CE LYS A 77 -2.862 10.008 6.801 1.00 30.34 C ATOM 1310 NZ LYS A 77 -2.239 11.352 6.876 1.00 71.34 N ATOM 0 H LYS A 77 -7.960 8.993 3.357 1.00 4.34 H new ATOM 0 HA LYS A 77 -5.427 10.239 3.643 1.00 73.34 H new ATOM 0 HB2 LYS A 77 -6.884 9.451 5.518 1.00 73.10 H new ATOM 0 HB3 LYS A 77 -6.633 7.792 5.012 1.00 73.10 H new ATOM 0 HG2 LYS A 77 -5.179 8.384 6.937 1.00 3.32 H new ATOM 0 HG3 LYS A 77 -4.228 7.940 5.534 1.00 3.32 H new ATOM 0 HD2 LYS A 77 -3.945 10.397 4.987 1.00 25.32 H new ATOM 0 HD3 LYS A 77 -4.827 10.801 6.446 1.00 25.32 H new ATOM 0 HE2 LYS A 77 -3.062 9.638 7.806 1.00 30.34 H new ATOM 0 HE3 LYS A 77 -2.170 9.306 6.335 1.00 30.34 H new ATOM 0 HZ1 LYS A 77 -1.357 11.296 7.424 1.00 71.34 H new ATOM 0 HZ2 LYS A 77 -2.029 11.692 5.916 1.00 71.34 H new ATOM 0 HZ3 LYS A 77 -2.894 12.013 7.341 1.00 71.34 H new ATOM 1324 N VAL A 78 -3.795 8.801 2.459 1.00 61.44 N ATOM 1325 CA VAL A 78 -2.770 8.031 1.753 1.00 25.35 C ATOM 1326 C VAL A 78 -1.777 7.439 2.772 1.00 2.22 C ATOM 1327 O VAL A 78 -1.019 8.172 3.426 1.00 54.12 O ATOM 1328 CB VAL A 78 -2.007 8.917 0.704 1.00 33.42 C ATOM 1329 CG1 VAL A 78 -0.971 8.078 -0.072 1.00 60.44 C ATOM 1330 CG2 VAL A 78 -2.995 9.604 -0.270 1.00 52.45 C ATOM 0 H VAL A 78 -3.536 9.775 2.616 1.00 61.44 H new ATOM 0 HA VAL A 78 -3.261 7.224 1.209 1.00 25.35 H new ATOM 0 HB VAL A 78 -1.476 9.697 1.249 1.00 33.42 H new ATOM 0 HG11 VAL A 78 -0.455 8.713 -0.793 1.00 60.44 H new ATOM 0 HG12 VAL A 78 -0.247 7.658 0.626 1.00 60.44 H new ATOM 0 HG13 VAL A 78 -1.478 7.270 -0.598 1.00 60.44 H new ATOM 0 HG21 VAL A 78 -2.439 10.211 -0.985 1.00 52.45 H new ATOM 0 HG22 VAL A 78 -3.566 8.845 -0.805 1.00 52.45 H new ATOM 0 HG23 VAL A 78 -3.677 10.241 0.293 1.00 52.45 H new ATOM 1340 N PHE A 79 -1.832 6.111 2.927 1.00 72.25 N ATOM 1341 CA PHE A 79 -0.883 5.337 3.741 1.00 71.31 C ATOM 1342 C PHE A 79 -0.042 4.459 2.794 1.00 44.32 C ATOM 1343 O PHE A 79 -0.552 3.955 1.789 1.00 51.22 O ATOM 1344 CB PHE A 79 -1.668 4.473 4.775 1.00 52.20 C ATOM 1345 CG PHE A 79 -0.814 3.790 5.863 1.00 30.23 C ATOM 1346 CD1 PHE A 79 -0.111 2.611 5.604 1.00 14.43 C ATOM 1347 CD2 PHE A 79 -0.739 4.320 7.153 1.00 51.34 C ATOM 1348 CE1 PHE A 79 0.626 1.985 6.587 1.00 52.45 C ATOM 1349 CE2 PHE A 79 0.004 3.691 8.136 1.00 72.42 C ATOM 1350 CZ PHE A 79 0.687 2.528 7.850 1.00 21.41 C ATOM 0 H PHE A 79 -2.547 5.534 2.484 1.00 72.25 H new ATOM 0 HA PHE A 79 -0.218 5.996 4.298 1.00 71.31 H new ATOM 0 HB2 PHE A 79 -2.407 5.108 5.264 1.00 52.20 H new ATOM 0 HB3 PHE A 79 -2.218 3.703 4.234 1.00 52.20 H new ATOM 0 HD1 PHE A 79 -0.145 2.181 4.614 1.00 14.43 H new ATOM 0 HD2 PHE A 79 -1.268 5.232 7.386 1.00 51.34 H new ATOM 0 HE1 PHE A 79 1.155 1.070 6.366 1.00 52.45 H new ATOM 0 HE2 PHE A 79 0.049 4.112 9.130 1.00 72.42 H new ATOM 0 HZ PHE A 79 1.271 2.043 8.618 1.00 21.41 H new ATOM 1360 N LEU A 80 1.232 4.282 3.133 1.00 53.32 N ATOM 1361 CA LEU A 80 2.181 3.473 2.363 1.00 42.21 C ATOM 1362 C LEU A 80 3.009 2.631 3.347 1.00 73.13 C ATOM 1363 O LEU A 80 3.268 3.043 4.481 1.00 41.21 O ATOM 1364 CB LEU A 80 3.094 4.384 1.486 1.00 70.14 C ATOM 1365 CG LEU A 80 4.107 3.660 0.524 1.00 51.41 C ATOM 1366 CD1 LEU A 80 3.389 2.791 -0.521 1.00 61.02 C ATOM 1367 CD2 LEU A 80 5.049 4.670 -0.158 1.00 12.23 C ATOM 0 H LEU A 80 1.644 4.703 3.965 1.00 53.32 H new ATOM 0 HA LEU A 80 1.644 2.811 1.684 1.00 42.21 H new ATOM 0 HB2 LEU A 80 2.453 5.027 0.882 1.00 70.14 H new ATOM 0 HB3 LEU A 80 3.663 5.035 2.150 1.00 70.14 H new ATOM 0 HG LEU A 80 4.710 2.995 1.142 1.00 51.41 H new ATOM 0 HD11 LEU A 80 4.127 2.310 -1.163 1.00 61.02 H new ATOM 0 HD12 LEU A 80 2.797 2.029 -0.015 1.00 61.02 H new ATOM 0 HD13 LEU A 80 2.734 3.417 -1.127 1.00 61.02 H new ATOM 0 HD21 LEU A 80 5.737 4.139 -0.816 1.00 12.23 H new ATOM 0 HD22 LEU A 80 4.462 5.378 -0.742 1.00 12.23 H new ATOM 0 HD23 LEU A 80 5.616 5.209 0.601 1.00 12.23 H new ATOM 1379 N LEU A 81 3.377 1.442 2.900 1.00 50.32 N ATOM 1380 CA LEU A 81 4.183 0.479 3.640 1.00 32.33 C ATOM 1381 C LEU A 81 5.059 -0.223 2.615 1.00 42.11 C ATOM 1382 O LEU A 81 4.541 -0.808 1.672 1.00 12.13 O ATOM 1383 CB LEU A 81 3.270 -0.538 4.386 1.00 62.24 C ATOM 1384 CG LEU A 81 3.983 -1.768 5.053 1.00 73.55 C ATOM 1385 CD1 LEU A 81 5.066 -1.327 6.061 1.00 50.43 C ATOM 1386 CD2 LEU A 81 2.953 -2.713 5.708 1.00 13.14 C ATOM 0 H LEU A 81 3.113 1.105 1.974 1.00 50.32 H new ATOM 0 HA LEU A 81 4.791 0.970 4.400 1.00 32.33 H new ATOM 0 HB2 LEU A 81 2.724 -0.000 5.161 1.00 62.24 H new ATOM 0 HB3 LEU A 81 2.532 -0.915 3.678 1.00 62.24 H new ATOM 0 HG LEU A 81 4.491 -2.321 4.263 1.00 73.55 H new ATOM 0 HD11 LEU A 81 5.535 -2.208 6.500 1.00 50.43 H new ATOM 0 HD12 LEU A 81 5.821 -0.732 5.547 1.00 50.43 H new ATOM 0 HD13 LEU A 81 4.608 -0.729 6.849 1.00 50.43 H new ATOM 0 HD21 LEU A 81 3.471 -3.557 6.163 1.00 13.14 H new ATOM 0 HD22 LEU A 81 2.399 -2.172 6.475 1.00 13.14 H new ATOM 0 HD23 LEU A 81 2.261 -3.079 4.950 1.00 13.14 H new ATOM 1398 N LEU A 82 6.378 -0.137 2.777 1.00 71.34 N ATOM 1399 CA LEU A 82 7.334 -0.768 1.862 1.00 14.42 C ATOM 1400 C LEU A 82 8.269 -1.712 2.629 1.00 74.43 C ATOM 1401 O LEU A 82 8.768 -1.386 3.714 1.00 54.13 O ATOM 1402 CB LEU A 82 8.098 0.312 1.003 1.00 74.22 C ATOM 1403 CG LEU A 82 8.420 1.710 1.660 1.00 62.10 C ATOM 1404 CD1 LEU A 82 9.438 1.627 2.808 1.00 10.52 C ATOM 1405 CD2 LEU A 82 8.896 2.717 0.598 1.00 4.12 C ATOM 0 H LEU A 82 6.816 0.371 3.545 1.00 71.34 H new ATOM 0 HA LEU A 82 6.789 -1.385 1.147 1.00 14.42 H new ATOM 0 HB2 LEU A 82 9.042 -0.128 0.682 1.00 74.22 H new ATOM 0 HB3 LEU A 82 7.510 0.496 0.104 1.00 74.22 H new ATOM 0 HG LEU A 82 7.484 2.058 2.098 1.00 62.10 H new ATOM 0 HD11 LEU A 82 9.612 2.624 3.213 1.00 10.52 H new ATOM 0 HD12 LEU A 82 9.049 0.979 3.593 1.00 10.52 H new ATOM 0 HD13 LEU A 82 10.377 1.219 2.433 1.00 10.52 H new ATOM 0 HD21 LEU A 82 9.112 3.673 1.074 1.00 4.12 H new ATOM 0 HD22 LEU A 82 9.798 2.339 0.117 1.00 4.12 H new ATOM 0 HD23 LEU A 82 8.115 2.853 -0.151 1.00 4.12 H new ATOM 1417 N GLN A 83 8.465 -2.906 2.049 1.00 72.13 N ATOM 1418 CA GLN A 83 9.377 -3.923 2.567 1.00 41.54 C ATOM 1419 C GLN A 83 10.263 -4.406 1.418 1.00 22.20 C ATOM 1420 O GLN A 83 9.815 -4.442 0.265 1.00 43.32 O ATOM 1421 CB GLN A 83 8.600 -5.103 3.251 1.00 72.41 C ATOM 1422 CG GLN A 83 7.929 -6.157 2.327 1.00 30.04 C ATOM 1423 CD GLN A 83 8.875 -7.279 1.843 1.00 54.20 C ATOM 1424 OE1 GLN A 83 8.721 -7.799 0.741 1.00 34.34 O ATOM 1425 NE2 GLN A 83 9.825 -7.692 2.679 1.00 32.14 N ATOM 0 H GLN A 83 7.985 -3.191 1.195 1.00 72.13 H new ATOM 0 HA GLN A 83 10.005 -3.491 3.346 1.00 41.54 H new ATOM 0 HB2 GLN A 83 9.295 -5.626 3.907 1.00 72.41 H new ATOM 0 HB3 GLN A 83 7.826 -4.672 3.885 1.00 72.41 H new ATOM 0 HG2 GLN A 83 7.093 -6.609 2.860 1.00 30.04 H new ATOM 0 HG3 GLN A 83 7.515 -5.648 1.457 1.00 30.04 H new ATOM 0 HE21 GLN A 83 9.933 -7.244 3.589 1.00 32.14 H new ATOM 0 HE22 GLN A 83 10.445 -8.456 2.409 1.00 32.14 H new ATOM 1434 N ASP A 84 11.525 -4.704 1.736 1.00 4.31 N ATOM 1435 CA ASP A 84 12.486 -5.292 0.791 1.00 50.30 C ATOM 1436 C ASP A 84 13.692 -5.815 1.590 1.00 63.20 C ATOM 1437 O ASP A 84 13.872 -5.446 2.767 1.00 10.32 O ATOM 1438 CB ASP A 84 12.929 -4.237 -0.283 1.00 34.25 C ATOM 1439 CG ASP A 84 13.509 -4.858 -1.565 1.00 11.32 C ATOM 1440 OD1 ASP A 84 12.721 -5.263 -2.451 1.00 5.21 O ATOM 1441 OD2 ASP A 84 14.744 -4.966 -1.693 1.00 74.31 O ATOM 0 H ASP A 84 11.915 -4.544 2.665 1.00 4.31 H new ATOM 0 HA ASP A 84 12.021 -6.118 0.252 1.00 50.30 H new ATOM 0 HB2 ASP A 84 12.071 -3.619 -0.547 1.00 34.25 H new ATOM 0 HB3 ASP A 84 13.675 -3.575 0.158 1.00 34.25 H new ATOM 1446 N GLN A 85 14.509 -6.679 0.963 1.00 13.41 N ATOM 1447 CA GLN A 85 15.763 -7.154 1.570 1.00 35.03 C ATOM 1448 C GLN A 85 16.796 -6.009 1.589 1.00 3.54 C ATOM 1449 O GLN A 85 17.547 -5.853 2.553 1.00 21.33 O ATOM 1450 CB GLN A 85 16.322 -8.391 0.815 1.00 43.44 C ATOM 1451 CG GLN A 85 15.371 -9.606 0.789 1.00 43.32 C ATOM 1452 CD GLN A 85 15.978 -10.830 0.100 1.00 11.53 C ATOM 1453 OE1 GLN A 85 15.868 -11.001 -1.114 1.00 5.42 O ATOM 1454 NE2 GLN A 85 16.630 -11.693 0.863 1.00 0.04 N ATOM 0 H GLN A 85 14.323 -7.062 0.036 1.00 13.41 H new ATOM 0 HA GLN A 85 15.558 -7.465 2.594 1.00 35.03 H new ATOM 0 HB2 GLN A 85 16.551 -8.102 -0.211 1.00 43.44 H new ATOM 0 HB3 GLN A 85 17.262 -8.690 1.279 1.00 43.44 H new ATOM 0 HG2 GLN A 85 15.100 -9.869 1.811 1.00 43.32 H new ATOM 0 HG3 GLN A 85 14.450 -9.328 0.277 1.00 43.32 H new ATOM 0 HE21 GLN A 85 16.708 -11.529 1.867 1.00 0.04 H new ATOM 0 HE22 GLN A 85 17.055 -12.522 0.447 1.00 0.04 H new ATOM 1463 N ASP A 86 16.800 -5.208 0.510 1.00 32.22 N ATOM 1464 CA ASP A 86 17.634 -3.998 0.374 1.00 34.42 C ATOM 1465 C ASP A 86 16.901 -2.804 1.001 1.00 52.40 C ATOM 1466 O ASP A 86 15.751 -2.517 0.641 1.00 3.42 O ATOM 1467 CB ASP A 86 17.922 -3.733 -1.127 1.00 24.23 C ATOM 1468 CG ASP A 86 18.818 -2.512 -1.378 1.00 43.41 C ATOM 1469 OD1 ASP A 86 20.056 -2.661 -1.389 1.00 54.02 O ATOM 1470 OD2 ASP A 86 18.294 -1.402 -1.561 1.00 40.31 O ATOM 0 H ASP A 86 16.215 -5.385 -0.307 1.00 32.22 H new ATOM 0 HA ASP A 86 18.583 -4.141 0.891 1.00 34.42 H new ATOM 0 HB2 ASP A 86 18.396 -4.615 -1.558 1.00 24.23 H new ATOM 0 HB3 ASP A 86 16.976 -3.592 -1.650 1.00 24.23 H new ATOM 1475 N GLU A 87 17.573 -2.098 1.926 1.00 32.35 N ATOM 1476 CA GLU A 87 16.961 -0.982 2.668 1.00 4.32 C ATOM 1477 C GLU A 87 17.188 0.379 1.958 1.00 30.13 C ATOM 1478 O GLU A 87 16.608 1.377 2.368 1.00 75.11 O ATOM 1479 CB GLU A 87 17.476 -0.941 4.140 1.00 43.25 C ATOM 1480 CG GLU A 87 16.588 -0.087 5.078 1.00 74.32 C ATOM 1481 CD GLU A 87 17.188 0.164 6.465 1.00 11.10 C ATOM 1482 OE1 GLU A 87 17.979 1.117 6.608 1.00 15.45 O ATOM 1483 OE2 GLU A 87 16.842 -0.554 7.423 1.00 70.21 O ATOM 0 H GLU A 87 18.544 -2.281 2.179 1.00 32.35 H new ATOM 0 HA GLU A 87 15.885 -1.158 2.689 1.00 4.32 H new ATOM 0 HB2 GLU A 87 17.528 -1.958 4.528 1.00 43.25 H new ATOM 0 HB3 GLU A 87 18.491 -0.544 4.151 1.00 43.25 H new ATOM 0 HG2 GLU A 87 16.395 0.873 4.600 1.00 74.32 H new ATOM 0 HG3 GLU A 87 15.625 -0.583 5.197 1.00 74.32 H new ATOM 1490 N ASN A 88 18.021 0.430 0.892 1.00 43.04 N ATOM 1491 CA ASN A 88 18.201 1.675 0.090 1.00 4.11 C ATOM 1492 C ASN A 88 16.937 1.944 -0.739 1.00 50.34 C ATOM 1493 O ASN A 88 16.498 3.089 -0.867 1.00 32.11 O ATOM 1494 CB ASN A 88 19.459 1.617 -0.826 1.00 45.22 C ATOM 1495 CG ASN A 88 20.766 1.902 -0.082 1.00 71.21 C ATOM 1496 OD1 ASN A 88 21.426 0.996 0.420 1.00 34.42 O ATOM 1497 ND2 ASN A 88 21.142 3.173 0.005 1.00 51.54 N ATOM 0 H ASN A 88 18.575 -0.362 0.566 1.00 43.04 H new ATOM 0 HA ASN A 88 18.362 2.497 0.787 1.00 4.11 H new ATOM 0 HB2 ASN A 88 19.519 0.631 -1.286 1.00 45.22 H new ATOM 0 HB3 ASN A 88 19.345 2.339 -1.634 1.00 45.22 H new ATOM 0 HD21 ASN A 88 22.000 3.418 0.499 1.00 51.54 H new ATOM 0 HD22 ASN A 88 20.573 3.904 -0.422 1.00 51.54 H new ATOM 1504 N GLU A 89 16.355 0.858 -1.269 1.00 24.24 N ATOM 1505 CA GLU A 89 15.068 0.873 -1.979 1.00 72.54 C ATOM 1506 C GLU A 89 13.957 1.437 -1.079 1.00 44.54 C ATOM 1507 O GLU A 89 13.070 2.164 -1.542 1.00 55.40 O ATOM 1508 CB GLU A 89 14.714 -0.573 -2.439 1.00 63.10 C ATOM 1509 CG GLU A 89 15.544 -1.082 -3.634 1.00 32.34 C ATOM 1510 CD GLU A 89 15.319 -0.253 -4.912 1.00 32.53 C ATOM 1511 OE1 GLU A 89 14.197 -0.292 -5.467 1.00 74.44 O ATOM 1512 OE2 GLU A 89 16.248 0.445 -5.371 1.00 71.24 O ATOM 0 H GLU A 89 16.773 -0.071 -1.215 1.00 24.24 H new ATOM 0 HA GLU A 89 15.152 1.519 -2.853 1.00 72.54 H new ATOM 0 HB2 GLU A 89 14.854 -1.253 -1.599 1.00 63.10 H new ATOM 0 HB3 GLU A 89 13.657 -0.608 -2.705 1.00 63.10 H new ATOM 0 HG2 GLU A 89 16.602 -1.058 -3.372 1.00 32.34 H new ATOM 0 HG3 GLU A 89 15.288 -2.123 -3.832 1.00 32.34 H new ATOM 1519 N LEU A 90 14.033 1.095 0.217 1.00 55.23 N ATOM 1520 CA LEU A 90 13.049 1.503 1.218 1.00 1.05 C ATOM 1521 C LEU A 90 13.265 2.951 1.652 1.00 14.15 C ATOM 1522 O LEU A 90 12.369 3.752 1.520 1.00 50.24 O ATOM 1523 CB LEU A 90 13.123 0.554 2.442 1.00 74.25 C ATOM 1524 CG LEU A 90 12.948 -0.947 2.095 1.00 63.45 C ATOM 1525 CD1 LEU A 90 12.974 -1.823 3.358 1.00 75.12 C ATOM 1526 CD2 LEU A 90 11.670 -1.168 1.258 1.00 34.02 C ATOM 0 H LEU A 90 14.787 0.523 0.597 1.00 55.23 H new ATOM 0 HA LEU A 90 12.057 1.437 0.771 1.00 1.05 H new ATOM 0 HB2 LEU A 90 14.085 0.691 2.936 1.00 74.25 H new ATOM 0 HB3 LEU A 90 12.353 0.842 3.158 1.00 74.25 H new ATOM 0 HG LEU A 90 13.796 -1.257 1.484 1.00 63.45 H new ATOM 0 HD11 LEU A 90 12.849 -2.869 3.078 1.00 75.12 H new ATOM 0 HD12 LEU A 90 13.928 -1.696 3.869 1.00 75.12 H new ATOM 0 HD13 LEU A 90 12.163 -1.526 4.024 1.00 75.12 H new ATOM 0 HD21 LEU A 90 11.566 -2.228 1.025 1.00 34.02 H new ATOM 0 HD22 LEU A 90 10.801 -0.834 1.825 1.00 34.02 H new ATOM 0 HD23 LEU A 90 11.739 -0.598 0.331 1.00 34.02 H new ATOM 1538 N GLU A 91 14.490 3.256 2.105 1.00 13.33 N ATOM 1539 CA GLU A 91 14.842 4.517 2.787 1.00 24.31 C ATOM 1540 C GLU A 91 14.759 5.711 1.826 1.00 13.34 C ATOM 1541 O GLU A 91 14.140 6.723 2.159 1.00 24.02 O ATOM 1542 CB GLU A 91 16.267 4.405 3.411 1.00 25.35 C ATOM 1543 CG GLU A 91 16.816 5.689 4.097 1.00 3.32 C ATOM 1544 CD GLU A 91 15.908 6.267 5.206 1.00 65.21 C ATOM 1545 OE1 GLU A 91 15.660 5.569 6.217 1.00 53.31 O ATOM 1546 OE2 GLU A 91 15.418 7.413 5.071 1.00 42.34 O ATOM 0 H GLU A 91 15.283 2.622 2.007 1.00 13.33 H new ATOM 0 HA GLU A 91 14.121 4.689 3.586 1.00 24.31 H new ATOM 0 HB2 GLU A 91 16.257 3.600 4.146 1.00 25.35 H new ATOM 0 HB3 GLU A 91 16.963 4.111 2.626 1.00 25.35 H new ATOM 0 HG2 GLU A 91 17.793 5.466 4.526 1.00 3.32 H new ATOM 0 HG3 GLU A 91 16.969 6.454 3.336 1.00 3.32 H new ATOM 1553 N GLU A 92 15.363 5.563 0.626 1.00 41.14 N ATOM 1554 CA GLU A 92 15.422 6.639 -0.377 1.00 5.44 C ATOM 1555 C GLU A 92 14.014 7.012 -0.857 1.00 20.35 C ATOM 1556 O GLU A 92 13.658 8.188 -0.860 1.00 24.42 O ATOM 1557 CB GLU A 92 16.322 6.228 -1.571 1.00 72.03 C ATOM 1558 CG GLU A 92 17.809 6.014 -1.209 1.00 35.31 C ATOM 1559 CD GLU A 92 18.705 5.658 -2.412 1.00 64.24 C ATOM 1560 OE1 GLU A 92 18.542 6.273 -3.495 1.00 42.43 O ATOM 1561 OE2 GLU A 92 19.612 4.804 -2.269 1.00 54.13 O ATOM 0 H GLU A 92 15.819 4.699 0.331 1.00 41.14 H new ATOM 0 HA GLU A 92 15.863 7.518 0.092 1.00 5.44 H new ATOM 0 HB2 GLU A 92 15.931 5.308 -2.005 1.00 72.03 H new ATOM 0 HB3 GLU A 92 16.256 6.997 -2.341 1.00 72.03 H new ATOM 0 HG2 GLU A 92 18.192 6.921 -0.740 1.00 35.31 H new ATOM 0 HG3 GLU A 92 17.880 5.218 -0.468 1.00 35.31 H new ATOM 1568 N PHE A 93 13.209 5.988 -1.209 1.00 25.14 N ATOM 1569 CA PHE A 93 11.828 6.181 -1.690 1.00 42.43 C ATOM 1570 C PHE A 93 10.936 6.731 -0.548 1.00 44.12 C ATOM 1571 O PHE A 93 10.103 7.607 -0.788 1.00 31.24 O ATOM 1572 CB PHE A 93 11.265 4.842 -2.263 1.00 14.22 C ATOM 1573 CG PHE A 93 9.903 4.955 -2.976 1.00 2.20 C ATOM 1574 CD1 PHE A 93 9.823 5.318 -4.324 1.00 35.51 C ATOM 1575 CD2 PHE A 93 8.711 4.682 -2.304 1.00 22.44 C ATOM 1576 CE1 PHE A 93 8.592 5.416 -4.961 1.00 32.11 C ATOM 1577 CE2 PHE A 93 7.493 4.777 -2.940 1.00 71.20 C ATOM 1578 CZ PHE A 93 7.429 5.138 -4.265 1.00 61.10 C ATOM 0 H PHE A 93 13.497 5.010 -1.168 1.00 25.14 H new ATOM 0 HA PHE A 93 11.828 6.915 -2.496 1.00 42.43 H new ATOM 0 HB2 PHE A 93 11.991 4.432 -2.964 1.00 14.22 H new ATOM 0 HB3 PHE A 93 11.171 4.127 -1.446 1.00 14.22 H new ATOM 0 HD1 PHE A 93 10.728 5.524 -4.876 1.00 35.51 H new ATOM 0 HD2 PHE A 93 8.744 4.390 -1.265 1.00 22.44 H new ATOM 0 HE1 PHE A 93 8.543 5.709 -5.999 1.00 32.11 H new ATOM 0 HE2 PHE A 93 6.584 4.567 -2.395 1.00 71.20 H new ATOM 0 HZ PHE A 93 6.472 5.204 -4.762 1.00 61.10 H new ATOM 1588 N LYS A 94 11.151 6.216 0.686 1.00 60.40 N ATOM 1589 CA LYS A 94 10.386 6.602 1.897 1.00 3.45 C ATOM 1590 C LYS A 94 10.504 8.101 2.175 1.00 33.51 C ATOM 1591 O LYS A 94 9.495 8.784 2.280 1.00 25.41 O ATOM 1592 CB LYS A 94 10.901 5.822 3.142 1.00 43.12 C ATOM 1593 CG LYS A 94 10.141 6.099 4.471 1.00 32.13 C ATOM 1594 CD LYS A 94 10.988 5.811 5.730 1.00 44.51 C ATOM 1595 CE LYS A 94 12.217 6.739 5.822 1.00 2.12 C ATOM 1596 NZ LYS A 94 12.989 6.561 7.077 1.00 24.44 N ATOM 0 H LYS A 94 11.867 5.514 0.871 1.00 60.40 H new ATOM 0 HA LYS A 94 9.341 6.354 1.710 1.00 3.45 H new ATOM 0 HB2 LYS A 94 10.845 4.755 2.928 1.00 43.12 H new ATOM 0 HB3 LYS A 94 11.954 6.063 3.289 1.00 43.12 H new ATOM 0 HG2 LYS A 94 9.820 7.141 4.488 1.00 32.13 H new ATOM 0 HG3 LYS A 94 9.239 5.487 4.500 1.00 32.13 H new ATOM 0 HD2 LYS A 94 10.371 5.937 6.619 1.00 44.51 H new ATOM 0 HD3 LYS A 94 11.318 4.772 5.716 1.00 44.51 H new ATOM 0 HE2 LYS A 94 12.871 6.551 4.971 1.00 2.12 H new ATOM 0 HE3 LYS A 94 11.888 7.776 5.749 1.00 2.12 H new ATOM 0 HZ1 LYS A 94 13.096 7.480 7.552 1.00 24.44 H new ATOM 0 HZ2 LYS A 94 12.484 5.903 7.705 1.00 24.44 H new ATOM 0 HZ3 LYS A 94 13.929 6.175 6.855 1.00 24.44 H new ATOM 1610 N ARG A 95 11.757 8.592 2.277 1.00 34.03 N ATOM 1611 CA ARG A 95 12.048 9.988 2.662 1.00 75.23 C ATOM 1612 C ARG A 95 11.539 10.989 1.605 1.00 62.01 C ATOM 1613 O ARG A 95 11.314 12.164 1.915 1.00 31.42 O ATOM 1614 CB ARG A 95 13.564 10.177 2.960 1.00 41.42 C ATOM 1615 CG ARG A 95 14.507 9.944 1.756 1.00 21.44 C ATOM 1616 CD ARG A 95 15.999 9.990 2.144 1.00 44.41 C ATOM 1617 NE ARG A 95 16.887 9.734 0.993 1.00 54.43 N ATOM 1618 CZ ARG A 95 18.084 9.115 1.049 1.00 41.31 C ATOM 1619 NH1 ARG A 95 18.554 8.651 2.207 1.00 51.22 N ATOM 1620 NH2 ARG A 95 18.812 8.980 -0.054 1.00 24.40 N ATOM 0 H ARG A 95 12.592 8.034 2.096 1.00 34.03 H new ATOM 0 HA ARG A 95 11.503 10.201 3.582 1.00 75.23 H new ATOM 0 HB2 ARG A 95 13.721 11.189 3.333 1.00 41.42 H new ATOM 0 HB3 ARG A 95 13.848 9.494 3.761 1.00 41.42 H new ATOM 0 HG2 ARG A 95 14.283 8.976 1.308 1.00 21.44 H new ATOM 0 HG3 ARG A 95 14.311 10.700 0.996 1.00 21.44 H new ATOM 0 HD2 ARG A 95 16.231 10.967 2.569 1.00 44.41 H new ATOM 0 HD3 ARG A 95 16.193 9.250 2.921 1.00 44.41 H new ATOM 0 HE ARG A 95 16.568 10.052 0.078 1.00 54.43 H new ATOM 0 HH11 ARG A 95 18.007 8.763 3.061 1.00 51.22 H new ATOM 0 HH12 ARG A 95 19.460 8.184 2.239 1.00 51.22 H new ATOM 0 HH21 ARG A 95 18.466 9.344 -0.942 1.00 24.40 H new ATOM 0 HH22 ARG A 95 19.717 8.512 -0.013 1.00 24.40 H new ATOM 1634 N LYS A 96 11.349 10.508 0.358 1.00 64.40 N ATOM 1635 CA LYS A 96 10.678 11.285 -0.691 1.00 22.33 C ATOM 1636 C LYS A 96 9.179 11.425 -0.359 1.00 52.21 C ATOM 1637 O LYS A 96 8.619 12.519 -0.417 1.00 21.44 O ATOM 1638 CB LYS A 96 10.845 10.623 -2.086 1.00 51.32 C ATOM 1639 CG LYS A 96 12.292 10.390 -2.595 1.00 63.12 C ATOM 1640 CD LYS A 96 13.136 11.679 -2.826 1.00 31.43 C ATOM 1641 CE LYS A 96 13.864 12.188 -1.567 1.00 34.05 C ATOM 1642 NZ LYS A 96 14.687 13.397 -1.836 1.00 40.20 N ATOM 0 H LYS A 96 11.654 9.582 0.058 1.00 64.40 H new ATOM 0 HA LYS A 96 11.142 12.270 -0.727 1.00 22.33 H new ATOM 0 HB2 LYS A 96 10.336 9.660 -2.065 1.00 51.32 H new ATOM 0 HB3 LYS A 96 10.326 11.242 -2.817 1.00 51.32 H new ATOM 0 HG2 LYS A 96 12.814 9.758 -1.876 1.00 63.12 H new ATOM 0 HG3 LYS A 96 12.244 9.835 -3.532 1.00 63.12 H new ATOM 0 HD2 LYS A 96 13.873 11.483 -3.605 1.00 31.43 H new ATOM 0 HD3 LYS A 96 12.481 12.467 -3.198 1.00 31.43 H new ATOM 0 HE2 LYS A 96 13.130 12.416 -0.794 1.00 34.05 H new ATOM 0 HE3 LYS A 96 14.503 11.397 -1.176 1.00 34.05 H new ATOM 0 HZ1 LYS A 96 15.156 13.700 -0.959 1.00 40.20 H new ATOM 0 HZ2 LYS A 96 15.406 13.175 -2.554 1.00 40.20 H new ATOM 0 HZ3 LYS A 96 14.075 14.163 -2.184 1.00 40.20 H new ATOM 1656 N ILE A 97 8.544 10.293 -0.030 1.00 12.51 N ATOM 1657 CA ILE A 97 7.097 10.219 0.271 1.00 60.03 C ATOM 1658 C ILE A 97 6.747 11.015 1.564 1.00 65.32 C ATOM 1659 O ILE A 97 5.671 11.624 1.653 1.00 35.41 O ATOM 1660 CB ILE A 97 6.646 8.705 0.364 1.00 24.34 C ATOM 1661 CG1 ILE A 97 6.950 7.954 -0.972 1.00 75.43 C ATOM 1662 CG2 ILE A 97 5.156 8.549 0.729 1.00 63.21 C ATOM 1663 CD1 ILE A 97 6.261 8.524 -2.201 1.00 73.34 C ATOM 0 H ILE A 97 9.018 9.392 0.037 1.00 12.51 H new ATOM 0 HA ILE A 97 6.542 10.688 -0.541 1.00 60.03 H new ATOM 0 HB ILE A 97 7.226 8.258 1.171 1.00 24.34 H new ATOM 0 HG12 ILE A 97 8.027 7.965 -1.140 1.00 75.43 H new ATOM 0 HG13 ILE A 97 6.655 6.911 -0.860 1.00 75.43 H new ATOM 0 HG21 ILE A 97 4.903 7.490 0.779 1.00 63.21 H new ATOM 0 HG22 ILE A 97 4.968 9.013 1.697 1.00 63.21 H new ATOM 0 HG23 ILE A 97 4.543 9.034 -0.031 1.00 63.21 H new ATOM 0 HD11 ILE A 97 6.534 7.936 -3.077 1.00 73.34 H new ATOM 0 HD12 ILE A 97 5.181 8.488 -2.062 1.00 73.34 H new ATOM 0 HD13 ILE A 97 6.574 9.558 -2.347 1.00 73.34 H new ATOM 1675 N GLU A 98 7.684 11.022 2.541 1.00 33.31 N ATOM 1676 CA GLU A 98 7.592 11.848 3.764 1.00 0.31 C ATOM 1677 C GLU A 98 7.598 13.347 3.411 1.00 12.24 C ATOM 1678 O GLU A 98 6.854 14.133 4.011 1.00 1.00 O ATOM 1679 CB GLU A 98 8.757 11.516 4.742 1.00 42.11 C ATOM 1680 CG GLU A 98 8.771 10.050 5.228 1.00 54.13 C ATOM 1681 CD GLU A 98 9.905 9.714 6.206 1.00 65.41 C ATOM 1682 OE1 GLU A 98 11.074 10.007 5.897 1.00 24.22 O ATOM 1683 OE2 GLU A 98 9.641 9.134 7.284 1.00 45.25 O ATOM 0 H GLU A 98 8.528 10.451 2.501 1.00 33.31 H new ATOM 0 HA GLU A 98 6.650 11.615 4.259 1.00 0.31 H new ATOM 0 HB2 GLU A 98 9.705 11.734 4.249 1.00 42.11 H new ATOM 0 HB3 GLU A 98 8.689 12.174 5.608 1.00 42.11 H new ATOM 0 HG2 GLU A 98 7.817 9.831 5.708 1.00 54.13 H new ATOM 0 HG3 GLU A 98 8.850 9.394 4.361 1.00 54.13 H new ATOM 1690 N SER A 99 8.437 13.719 2.422 1.00 54.21 N ATOM 1691 CA SER A 99 8.532 15.103 1.918 1.00 55.34 C ATOM 1692 C SER A 99 7.235 15.501 1.175 1.00 4.01 C ATOM 1693 O SER A 99 6.775 16.641 1.285 1.00 4.10 O ATOM 1694 CB SER A 99 9.759 15.238 0.988 1.00 40.05 C ATOM 1695 OG SER A 99 9.915 16.561 0.503 1.00 4.10 O ATOM 0 H SER A 99 9.066 13.069 1.952 1.00 54.21 H new ATOM 0 HA SER A 99 8.656 15.780 2.763 1.00 55.34 H new ATOM 0 HB2 SER A 99 10.658 14.942 1.529 1.00 40.05 H new ATOM 0 HB3 SER A 99 9.653 14.553 0.146 1.00 40.05 H new ATOM 0 HG SER A 99 10.702 16.605 -0.080 1.00 4.10 H new ATOM 1701 N GLN A 100 6.653 14.532 0.442 1.00 34.33 N ATOM 1702 CA GLN A 100 5.361 14.693 -0.271 1.00 71.40 C ATOM 1703 C GLN A 100 4.179 14.797 0.715 1.00 63.31 C ATOM 1704 O GLN A 100 3.094 15.255 0.344 1.00 73.22 O ATOM 1705 CB GLN A 100 5.162 13.503 -1.257 1.00 63.13 C ATOM 1706 CG GLN A 100 6.004 13.598 -2.556 1.00 31.05 C ATOM 1707 CD GLN A 100 6.211 12.246 -3.244 1.00 61.13 C ATOM 1708 OE1 GLN A 100 5.384 11.782 -4.032 1.00 62.20 O ATOM 1709 NE2 GLN A 100 7.349 11.625 -2.984 1.00 10.03 N ATOM 0 H GLN A 100 7.066 13.607 0.324 1.00 34.33 H new ATOM 0 HA GLN A 100 5.388 15.625 -0.835 1.00 71.40 H new ATOM 0 HB2 GLN A 100 5.413 12.575 -0.743 1.00 63.13 H new ATOM 0 HB3 GLN A 100 4.107 13.443 -1.526 1.00 63.13 H new ATOM 0 HG2 GLN A 100 5.512 14.280 -3.250 1.00 31.05 H new ATOM 0 HG3 GLN A 100 6.976 14.030 -2.320 1.00 31.05 H new ATOM 0 HE21 GLN A 100 8.014 12.033 -2.327 1.00 10.03 H new ATOM 0 HE22 GLN A 100 7.562 10.738 -3.440 1.00 10.03 H new ATOM 1718 N GLY A 101 4.396 14.344 1.961 1.00 2.42 N ATOM 1719 CA GLY A 101 3.423 14.509 3.042 1.00 64.22 C ATOM 1720 C GLY A 101 2.560 13.282 3.292 1.00 1.23 C ATOM 1721 O GLY A 101 1.678 13.322 4.161 1.00 65.33 O ATOM 0 H GLY A 101 5.247 13.857 2.241 1.00 2.42 H new ATOM 0 HA2 GLY A 101 3.955 14.759 3.960 1.00 64.22 H new ATOM 0 HA3 GLY A 101 2.776 15.354 2.808 1.00 64.22 H new ATOM 1725 N TYR A 102 2.806 12.197 2.541 1.00 51.32 N ATOM 1726 CA TYR A 102 2.061 10.931 2.688 1.00 41.53 C ATOM 1727 C TYR A 102 2.709 10.071 3.776 1.00 32.45 C ATOM 1728 O TYR A 102 3.939 10.055 3.903 1.00 22.41 O ATOM 1729 CB TYR A 102 2.052 10.132 1.367 1.00 63.11 C ATOM 1730 CG TYR A 102 1.560 10.901 0.144 1.00 3.41 C ATOM 1731 CD1 TYR A 102 0.379 11.637 0.195 1.00 10.10 C ATOM 1732 CD2 TYR A 102 2.261 10.862 -1.066 1.00 21.41 C ATOM 1733 CE1 TYR A 102 -0.090 12.301 -0.906 1.00 72.41 C ATOM 1734 CE2 TYR A 102 1.795 11.534 -2.171 1.00 3.41 C ATOM 1735 CZ TYR A 102 0.619 12.250 -2.083 1.00 35.11 C ATOM 1736 OH TYR A 102 0.138 12.903 -3.186 1.00 55.24 O ATOM 0 H TYR A 102 3.524 12.170 1.817 1.00 51.32 H new ATOM 0 HA TYR A 102 1.035 11.178 2.960 1.00 41.53 H new ATOM 0 HB2 TYR A 102 3.063 9.776 1.170 1.00 63.11 H new ATOM 0 HB3 TYR A 102 1.424 9.251 1.499 1.00 63.11 H new ATOM 0 HD1 TYR A 102 -0.177 11.685 1.120 1.00 10.10 H new ATOM 0 HD2 TYR A 102 3.179 10.297 -1.133 1.00 21.41 H new ATOM 0 HE1 TYR A 102 -1.011 12.862 -0.851 1.00 72.41 H new ATOM 0 HE2 TYR A 102 2.345 11.502 -3.100 1.00 3.41 H new ATOM 0 HH TYR A 102 0.844 12.965 -3.863 1.00 55.24 H new ATOM 1746 N GLU A 103 1.874 9.337 4.532 1.00 42.32 N ATOM 1747 CA GLU A 103 2.341 8.424 5.579 1.00 32.12 C ATOM 1748 C GLU A 103 2.994 7.203 4.925 1.00 23.14 C ATOM 1749 O GLU A 103 2.375 6.556 4.086 1.00 11.44 O ATOM 1750 CB GLU A 103 1.163 7.990 6.491 1.00 60.03 C ATOM 1751 CG GLU A 103 1.549 7.023 7.633 1.00 70.12 C ATOM 1752 CD GLU A 103 2.572 7.622 8.612 1.00 21.00 C ATOM 1753 OE1 GLU A 103 2.157 8.280 9.583 1.00 64.30 O ATOM 1754 OE2 GLU A 103 3.797 7.457 8.406 1.00 71.34 O ATOM 0 H GLU A 103 0.859 9.363 4.431 1.00 42.32 H new ATOM 0 HA GLU A 103 3.074 8.935 6.203 1.00 32.12 H new ATOM 0 HB2 GLU A 103 0.711 8.882 6.926 1.00 60.03 H new ATOM 0 HB3 GLU A 103 0.400 7.515 5.874 1.00 60.03 H new ATOM 0 HG2 GLU A 103 0.650 6.743 8.183 1.00 70.12 H new ATOM 0 HG3 GLU A 103 1.958 6.109 7.204 1.00 70.12 H new ATOM 1761 N VAL A 104 4.255 6.938 5.278 1.00 30.55 N ATOM 1762 CA VAL A 104 5.023 5.797 4.756 1.00 5.02 C ATOM 1763 C VAL A 104 5.826 5.137 5.889 1.00 25.50 C ATOM 1764 O VAL A 104 6.522 5.814 6.653 1.00 21.31 O ATOM 1765 CB VAL A 104 5.963 6.231 3.574 1.00 41.43 C ATOM 1766 CG1 VAL A 104 6.815 7.463 3.945 1.00 22.30 C ATOM 1767 CG2 VAL A 104 6.841 5.053 3.075 1.00 50.21 C ATOM 0 H VAL A 104 4.778 7.512 5.939 1.00 30.55 H new ATOM 0 HA VAL A 104 4.320 5.066 4.357 1.00 5.02 H new ATOM 0 HB VAL A 104 5.320 6.524 2.744 1.00 41.43 H new ATOM 0 HG11 VAL A 104 7.452 7.732 3.102 1.00 22.30 H new ATOM 0 HG12 VAL A 104 6.159 8.300 4.186 1.00 22.30 H new ATOM 0 HG13 VAL A 104 7.437 7.229 4.809 1.00 22.30 H new ATOM 0 HG21 VAL A 104 7.477 5.394 2.258 1.00 50.21 H new ATOM 0 HG22 VAL A 104 7.464 4.692 3.893 1.00 50.21 H new ATOM 0 HG23 VAL A 104 6.200 4.245 2.723 1.00 50.21 H new ATOM 1777 N ARG A 105 5.693 3.807 6.009 1.00 61.51 N ATOM 1778 CA ARG A 105 6.412 3.015 7.014 1.00 61.45 C ATOM 1779 C ARG A 105 7.401 2.085 6.300 1.00 51.51 C ATOM 1780 O ARG A 105 7.091 1.561 5.226 1.00 64.32 O ATOM 1781 CB ARG A 105 5.427 2.174 7.878 1.00 24.03 C ATOM 1782 CG ARG A 105 4.182 2.918 8.424 1.00 34.21 C ATOM 1783 CD ARG A 105 4.479 4.277 9.078 1.00 0.53 C ATOM 1784 NE ARG A 105 5.530 4.227 10.112 1.00 24.34 N ATOM 1785 CZ ARG A 105 5.907 5.277 10.869 1.00 20.44 C ATOM 1786 NH1 ARG A 105 5.333 6.468 10.716 1.00 22.01 N ATOM 1787 NH2 ARG A 105 6.861 5.135 11.770 1.00 73.15 N ATOM 0 H ARG A 105 5.082 3.251 5.410 1.00 61.51 H new ATOM 0 HA ARG A 105 6.946 3.693 7.679 1.00 61.45 H new ATOM 0 HB2 ARG A 105 5.085 1.328 7.281 1.00 24.03 H new ATOM 0 HB3 ARG A 105 5.979 1.765 8.724 1.00 24.03 H new ATOM 0 HG2 ARG A 105 3.479 3.071 7.605 1.00 34.21 H new ATOM 0 HG3 ARG A 105 3.686 2.279 9.155 1.00 34.21 H new ATOM 0 HD2 ARG A 105 4.778 4.984 8.304 1.00 0.53 H new ATOM 0 HD3 ARG A 105 3.562 4.662 9.524 1.00 0.53 H new ATOM 0 HE ARG A 105 6.004 3.337 10.265 1.00 24.34 H new ATOM 0 HH11 ARG A 105 4.599 6.594 10.020 1.00 22.01 H new ATOM 0 HH12 ARG A 105 5.628 7.254 11.295 1.00 22.01 H new ATOM 0 HH21 ARG A 105 7.314 4.230 11.894 1.00 73.15 H new ATOM 0 HH22 ARG A 105 7.145 5.930 12.342 1.00 73.15 H new ATOM 1801 N LYS A 106 8.582 1.881 6.906 1.00 1.03 N ATOM 1802 CA LYS A 106 9.634 1.012 6.351 1.00 43.35 C ATOM 1803 C LYS A 106 9.843 -0.209 7.255 1.00 63.24 C ATOM 1804 O LYS A 106 9.756 -0.108 8.489 1.00 3.13 O ATOM 1805 CB LYS A 106 10.974 1.790 6.197 1.00 5.44 C ATOM 1806 CG LYS A 106 11.605 2.221 7.537 1.00 0.24 C ATOM 1807 CD LYS A 106 12.938 2.979 7.386 1.00 54.11 C ATOM 1808 CE LYS A 106 14.025 2.150 6.678 1.00 54.21 C ATOM 1809 NZ LYS A 106 15.369 2.761 6.830 1.00 43.33 N ATOM 0 H LYS A 106 8.835 2.314 7.794 1.00 1.03 H new ATOM 0 HA LYS A 106 9.312 0.678 5.364 1.00 43.35 H new ATOM 0 HB2 LYS A 106 11.685 1.166 5.656 1.00 5.44 H new ATOM 0 HB3 LYS A 106 10.800 2.676 5.587 1.00 5.44 H new ATOM 0 HG2 LYS A 106 10.898 2.854 8.073 1.00 0.24 H new ATOM 0 HG3 LYS A 106 11.770 1.336 8.151 1.00 0.24 H new ATOM 0 HD2 LYS A 106 12.766 3.897 6.824 1.00 54.11 H new ATOM 0 HD3 LYS A 106 13.297 3.271 8.373 1.00 54.11 H new ATOM 0 HE2 LYS A 106 14.036 1.140 7.087 1.00 54.21 H new ATOM 0 HE3 LYS A 106 13.783 2.062 5.619 1.00 54.21 H new ATOM 0 HZ1 LYS A 106 15.973 2.475 6.033 1.00 43.33 H new ATOM 0 HZ2 LYS A 106 15.280 3.797 6.842 1.00 43.33 H new ATOM 0 HZ3 LYS A 106 15.797 2.440 7.722 1.00 43.33 H new ATOM 1823 N VAL A 107 10.119 -1.348 6.618 1.00 22.35 N ATOM 1824 CA VAL A 107 10.405 -2.639 7.281 1.00 4.45 C ATOM 1825 C VAL A 107 11.307 -3.494 6.372 1.00 15.00 C ATOM 1826 O VAL A 107 11.041 -3.644 5.183 1.00 23.43 O ATOM 1827 CB VAL A 107 9.096 -3.463 7.639 1.00 54.23 C ATOM 1828 CG1 VAL A 107 8.341 -2.858 8.836 1.00 14.23 C ATOM 1829 CG2 VAL A 107 8.152 -3.583 6.426 1.00 65.35 C ATOM 0 H VAL A 107 10.153 -1.409 5.600 1.00 22.35 H new ATOM 0 HA VAL A 107 10.905 -2.406 8.221 1.00 4.45 H new ATOM 0 HB VAL A 107 9.429 -4.462 7.920 1.00 54.23 H new ATOM 0 HG11 VAL A 107 7.453 -3.454 9.045 1.00 14.23 H new ATOM 0 HG12 VAL A 107 8.990 -2.855 9.712 1.00 14.23 H new ATOM 0 HG13 VAL A 107 8.045 -1.836 8.600 1.00 14.23 H new ATOM 0 HG21 VAL A 107 7.267 -4.153 6.709 1.00 65.35 H new ATOM 0 HG22 VAL A 107 7.853 -2.588 6.098 1.00 65.35 H new ATOM 0 HG23 VAL A 107 8.668 -4.093 5.613 1.00 65.35 H new ATOM 1839 N THR A 108 12.393 -4.023 6.934 1.00 35.55 N ATOM 1840 CA THR A 108 13.260 -4.991 6.238 1.00 25.02 C ATOM 1841 C THR A 108 12.624 -6.396 6.297 1.00 75.12 C ATOM 1842 O THR A 108 12.736 -7.199 5.355 1.00 43.12 O ATOM 1843 CB THR A 108 14.687 -5.007 6.876 1.00 31.32 C ATOM 1844 OG1 THR A 108 15.187 -3.662 6.938 1.00 1.32 O ATOM 1845 CG2 THR A 108 15.681 -5.891 6.091 1.00 21.15 C ATOM 0 H THR A 108 12.701 -3.798 7.880 1.00 35.55 H new ATOM 0 HA THR A 108 13.359 -4.691 5.195 1.00 25.02 H new ATOM 0 HB THR A 108 14.597 -5.435 7.874 1.00 31.32 H new ATOM 0 HG1 THR A 108 16.081 -3.664 7.339 1.00 1.32 H new ATOM 0 HG21 THR A 108 16.655 -5.865 6.579 1.00 21.15 H new ATOM 0 HG22 THR A 108 15.315 -6.917 6.067 1.00 21.15 H new ATOM 0 HG23 THR A 108 15.775 -5.516 5.072 1.00 21.15 H new ATOM 1853 N ASP A 109 11.920 -6.663 7.413 1.00 53.23 N ATOM 1854 CA ASP A 109 11.338 -7.982 7.712 1.00 50.32 C ATOM 1855 C ASP A 109 9.929 -8.111 7.120 1.00 42.11 C ATOM 1856 O ASP A 109 9.152 -7.143 7.114 1.00 23.34 O ATOM 1857 CB ASP A 109 11.285 -8.232 9.236 1.00 0.40 C ATOM 1858 CG ASP A 109 12.654 -8.086 9.921 1.00 20.41 C ATOM 1859 OD1 ASP A 109 13.501 -8.986 9.765 1.00 74.04 O ATOM 1860 OD2 ASP A 109 12.899 -7.060 10.590 1.00 62.50 O ATOM 0 H ASP A 109 11.739 -5.966 8.135 1.00 53.23 H new ATOM 0 HA ASP A 109 11.982 -8.732 7.253 1.00 50.32 H new ATOM 0 HB2 ASP A 109 10.583 -7.532 9.688 1.00 0.40 H new ATOM 0 HB3 ASP A 109 10.899 -9.234 9.420 1.00 0.40 H new ATOM 1865 N ASP A 110 9.617 -9.325 6.638 1.00 14.52 N ATOM 1866 CA ASP A 110 8.293 -9.682 6.076 1.00 3.54 C ATOM 1867 C ASP A 110 7.290 -9.882 7.227 1.00 62.24 C ATOM 1868 O ASP A 110 6.091 -9.628 7.092 1.00 20.21 O ATOM 1869 CB ASP A 110 8.415 -10.962 5.200 1.00 64.43 C ATOM 1870 CG ASP A 110 8.622 -12.258 6.009 1.00 13.41 C ATOM 1871 OD1 ASP A 110 9.686 -12.400 6.650 1.00 14.32 O ATOM 1872 OD2 ASP A 110 7.711 -13.120 6.035 1.00 30.54 O ATOM 0 H ASP A 110 10.281 -10.099 6.625 1.00 14.52 H new ATOM 0 HA ASP A 110 7.930 -8.876 5.438 1.00 3.54 H new ATOM 0 HB2 ASP A 110 7.514 -11.063 4.595 1.00 64.43 H new ATOM 0 HB3 ASP A 110 9.250 -10.839 4.510 1.00 64.43 H new ATOM 1877 N GLU A 111 7.845 -10.355 8.349 1.00 31.43 N ATOM 1878 CA GLU A 111 7.215 -10.431 9.658 1.00 14.20 C ATOM 1879 C GLU A 111 6.670 -9.053 10.082 1.00 63.43 C ATOM 1880 O GLU A 111 5.488 -8.907 10.414 1.00 34.22 O ATOM 1881 CB GLU A 111 8.330 -10.944 10.622 1.00 62.33 C ATOM 1882 CG GLU A 111 8.078 -10.781 12.118 1.00 34.30 C ATOM 1883 CD GLU A 111 6.921 -11.642 12.668 1.00 43.01 C ATOM 1884 OE1 GLU A 111 7.108 -12.863 12.863 1.00 24.34 O ATOM 1885 OE2 GLU A 111 5.821 -11.111 12.912 1.00 42.44 O ATOM 0 H GLU A 111 8.800 -10.713 8.361 1.00 31.43 H new ATOM 0 HA GLU A 111 6.355 -11.100 9.666 1.00 14.20 H new ATOM 0 HB2 GLU A 111 8.493 -12.002 10.419 1.00 62.33 H new ATOM 0 HB3 GLU A 111 9.256 -10.425 10.376 1.00 62.33 H new ATOM 0 HG2 GLU A 111 8.991 -11.034 12.657 1.00 34.30 H new ATOM 0 HG3 GLU A 111 7.865 -9.732 12.326 1.00 34.30 H new ATOM 1892 N GLU A 112 7.548 -8.042 10.021 1.00 73.13 N ATOM 1893 CA GLU A 112 7.213 -6.663 10.401 1.00 32.11 C ATOM 1894 C GLU A 112 6.284 -5.989 9.368 1.00 14.25 C ATOM 1895 O GLU A 112 5.565 -5.042 9.704 1.00 44.32 O ATOM 1896 CB GLU A 112 8.508 -5.848 10.608 1.00 11.01 C ATOM 1897 CG GLU A 112 9.408 -6.359 11.749 1.00 41.30 C ATOM 1898 CD GLU A 112 8.702 -6.401 13.116 1.00 54.23 C ATOM 1899 OE1 GLU A 112 8.567 -5.339 13.751 1.00 72.51 O ATOM 1900 OE2 GLU A 112 8.278 -7.490 13.559 1.00 52.24 O ATOM 0 H GLU A 112 8.511 -8.158 9.706 1.00 73.13 H new ATOM 0 HA GLU A 112 6.662 -6.693 11.341 1.00 32.11 H new ATOM 0 HB2 GLU A 112 9.080 -5.856 9.680 1.00 11.01 H new ATOM 0 HB3 GLU A 112 8.241 -4.811 10.809 1.00 11.01 H new ATOM 0 HG2 GLU A 112 9.762 -7.360 11.501 1.00 41.30 H new ATOM 0 HG3 GLU A 112 10.287 -5.719 11.822 1.00 41.30 H new ATOM 1907 N ALA A 113 6.318 -6.482 8.111 1.00 71.13 N ATOM 1908 CA ALA A 113 5.402 -6.029 7.051 1.00 24.43 C ATOM 1909 C ALA A 113 3.964 -6.444 7.384 1.00 72.34 C ATOM 1910 O ALA A 113 3.048 -5.629 7.286 1.00 13.13 O ATOM 1911 CB ALA A 113 5.839 -6.588 5.690 1.00 52.32 C ATOM 0 H ALA A 113 6.977 -7.199 7.808 1.00 71.13 H new ATOM 0 HA ALA A 113 5.438 -4.941 6.993 1.00 24.43 H new ATOM 0 HB1 ALA A 113 5.151 -6.244 4.917 1.00 52.32 H new ATOM 0 HB2 ALA A 113 6.846 -6.240 5.460 1.00 52.32 H new ATOM 0 HB3 ALA A 113 5.830 -7.677 5.724 1.00 52.32 H new ATOM 1917 N LEU A 114 3.797 -7.715 7.819 1.00 40.34 N ATOM 1918 CA LEU A 114 2.501 -8.252 8.278 1.00 23.33 C ATOM 1919 C LEU A 114 2.003 -7.467 9.498 1.00 14.52 C ATOM 1920 O LEU A 114 0.802 -7.214 9.632 1.00 72.43 O ATOM 1921 CB LEU A 114 2.628 -9.755 8.655 1.00 43.13 C ATOM 1922 CG LEU A 114 3.007 -10.718 7.495 1.00 4.21 C ATOM 1923 CD1 LEU A 114 3.250 -12.145 8.013 1.00 1.21 C ATOM 1924 CD2 LEU A 114 1.932 -10.706 6.396 1.00 65.24 C ATOM 0 H LEU A 114 4.558 -8.393 7.860 1.00 40.34 H new ATOM 0 HA LEU A 114 1.787 -8.150 7.461 1.00 23.33 H new ATOM 0 HB2 LEU A 114 3.378 -9.850 9.440 1.00 43.13 H new ATOM 0 HB3 LEU A 114 1.679 -10.084 9.079 1.00 43.13 H new ATOM 0 HG LEU A 114 3.939 -10.361 7.058 1.00 4.21 H new ATOM 0 HD11 LEU A 114 3.513 -12.795 7.179 1.00 1.21 H new ATOM 0 HD12 LEU A 114 4.065 -12.136 8.737 1.00 1.21 H new ATOM 0 HD13 LEU A 114 2.344 -12.518 8.492 1.00 1.21 H new ATOM 0 HD21 LEU A 114 2.221 -11.388 5.596 1.00 65.24 H new ATOM 0 HD22 LEU A 114 0.978 -11.024 6.817 1.00 65.24 H new ATOM 0 HD23 LEU A 114 1.833 -9.697 5.995 1.00 65.24 H new ATOM 1936 N LYS A 115 2.962 -7.080 10.370 1.00 3.20 N ATOM 1937 CA LYS A 115 2.674 -6.360 11.604 1.00 20.13 C ATOM 1938 C LYS A 115 2.027 -5.004 11.303 1.00 4.53 C ATOM 1939 O LYS A 115 0.955 -4.732 11.808 1.00 2.12 O ATOM 1940 CB LYS A 115 3.957 -6.166 12.454 1.00 14.13 C ATOM 1941 CG LYS A 115 3.710 -5.405 13.773 1.00 74.31 C ATOM 1942 CD LYS A 115 4.972 -5.249 14.637 1.00 4.35 C ATOM 1943 CE LYS A 115 4.680 -4.495 15.947 1.00 44.52 C ATOM 1944 NZ LYS A 115 3.562 -5.116 16.712 1.00 31.50 N ATOM 0 H LYS A 115 3.955 -7.265 10.226 1.00 3.20 H new ATOM 0 HA LYS A 115 1.972 -6.961 12.181 1.00 20.13 H new ATOM 0 HB2 LYS A 115 4.384 -7.143 12.681 1.00 14.13 H new ATOM 0 HB3 LYS A 115 4.696 -5.624 11.864 1.00 14.13 H new ATOM 0 HG2 LYS A 115 3.312 -4.417 13.544 1.00 74.31 H new ATOM 0 HG3 LYS A 115 2.948 -5.930 14.349 1.00 74.31 H new ATOM 0 HD2 LYS A 115 5.378 -6.234 14.868 1.00 4.35 H new ATOM 0 HD3 LYS A 115 5.735 -4.714 14.072 1.00 4.35 H new ATOM 0 HE2 LYS A 115 5.578 -4.481 16.565 1.00 44.52 H new ATOM 0 HE3 LYS A 115 4.432 -3.458 15.721 1.00 44.52 H new ATOM 0 HZ1 LYS A 115 3.688 -4.926 17.727 1.00 31.50 H new ATOM 0 HZ2 LYS A 115 2.658 -4.713 16.394 1.00 31.50 H new ATOM 0 HZ3 LYS A 115 3.559 -6.143 16.550 1.00 31.50 H new ATOM 1958 N ILE A 116 2.676 -4.186 10.448 1.00 64.34 N ATOM 1959 CA ILE A 116 2.240 -2.798 10.169 1.00 44.14 C ATOM 1960 C ILE A 116 0.919 -2.747 9.359 1.00 64.40 C ATOM 1961 O ILE A 116 0.164 -1.767 9.467 1.00 65.12 O ATOM 1962 CB ILE A 116 3.396 -1.950 9.505 1.00 64.22 C ATOM 1963 CG1 ILE A 116 4.610 -1.854 10.498 1.00 11.02 C ATOM 1964 CG2 ILE A 116 2.913 -0.540 9.077 1.00 71.32 C ATOM 1965 CD1 ILE A 116 5.712 -0.879 10.104 1.00 75.15 C ATOM 0 H ILE A 116 3.512 -4.465 9.934 1.00 64.34 H new ATOM 0 HA ILE A 116 2.019 -2.331 11.129 1.00 44.14 H new ATOM 0 HB ILE A 116 3.713 -2.459 8.595 1.00 64.22 H new ATOM 0 HG12 ILE A 116 4.231 -1.568 11.479 1.00 11.02 H new ATOM 0 HG13 ILE A 116 5.049 -2.846 10.603 1.00 11.02 H new ATOM 0 HG21 ILE A 116 3.741 0.007 8.626 1.00 71.32 H new ATOM 0 HG22 ILE A 116 2.104 -0.637 8.353 1.00 71.32 H new ATOM 0 HG23 ILE A 116 2.554 0.003 9.951 1.00 71.32 H new ATOM 0 HD11 ILE A 116 6.498 -0.894 10.859 1.00 75.15 H new ATOM 0 HD12 ILE A 116 6.129 -1.171 9.140 1.00 75.15 H new ATOM 0 HD13 ILE A 116 5.299 0.127 10.030 1.00 75.15 H new ATOM 1977 N VAL A 117 0.633 -3.814 8.579 1.00 4.11 N ATOM 1978 CA VAL A 117 -0.700 -4.019 7.966 1.00 65.23 C ATOM 1979 C VAL A 117 -1.789 -3.999 9.068 1.00 62.12 C ATOM 1980 O VAL A 117 -2.806 -3.316 8.944 1.00 20.43 O ATOM 1981 CB VAL A 117 -0.756 -5.376 7.151 1.00 44.11 C ATOM 1982 CG1 VAL A 117 -2.193 -5.720 6.689 1.00 51.43 C ATOM 1983 CG2 VAL A 117 0.203 -5.322 5.937 1.00 64.31 C ATOM 0 H VAL A 117 1.307 -4.547 8.359 1.00 4.11 H new ATOM 0 HA VAL A 117 -0.886 -3.207 7.263 1.00 65.23 H new ATOM 0 HB VAL A 117 -0.432 -6.169 7.824 1.00 44.11 H new ATOM 0 HG11 VAL A 117 -2.182 -6.658 6.134 1.00 51.43 H new ATOM 0 HG12 VAL A 117 -2.841 -5.821 7.560 1.00 51.43 H new ATOM 0 HG13 VAL A 117 -2.569 -4.923 6.047 1.00 51.43 H new ATOM 0 HG21 VAL A 117 0.150 -6.263 5.390 1.00 64.31 H new ATOM 0 HG22 VAL A 117 -0.088 -4.503 5.279 1.00 64.31 H new ATOM 0 HG23 VAL A 117 1.223 -5.162 6.286 1.00 64.31 H new ATOM 1993 N ARG A 118 -1.498 -4.709 10.170 1.00 51.53 N ATOM 1994 CA ARG A 118 -2.397 -4.849 11.329 1.00 1.14 C ATOM 1995 C ARG A 118 -2.412 -3.554 12.193 1.00 32.11 C ATOM 1996 O ARG A 118 -3.486 -3.107 12.615 1.00 32.15 O ATOM 1997 CB ARG A 118 -1.945 -6.081 12.165 1.00 32.53 C ATOM 1998 CG ARG A 118 -1.957 -7.421 11.382 1.00 2.21 C ATOM 1999 CD ARG A 118 -1.193 -8.555 12.099 1.00 0.35 C ATOM 2000 NE ARG A 118 -1.739 -8.863 13.439 1.00 62.14 N ATOM 2001 CZ ARG A 118 -1.876 -10.098 13.969 1.00 72.04 C ATOM 2002 NH1 ARG A 118 -1.511 -11.186 13.294 1.00 2.23 N ATOM 2003 NH2 ARG A 118 -2.366 -10.237 15.188 1.00 4.51 N ATOM 0 H ARG A 118 -0.617 -5.210 10.283 1.00 51.53 H new ATOM 0 HA ARG A 118 -3.418 -5.004 10.979 1.00 1.14 H new ATOM 0 HB2 ARG A 118 -0.937 -5.901 12.540 1.00 32.53 H new ATOM 0 HB3 ARG A 118 -2.596 -6.175 13.034 1.00 32.53 H new ATOM 0 HG2 ARG A 118 -2.990 -7.732 11.224 1.00 2.21 H new ATOM 0 HG3 ARG A 118 -1.517 -7.262 10.397 1.00 2.21 H new ATOM 0 HD2 ARG A 118 -1.227 -9.454 11.484 1.00 0.35 H new ATOM 0 HD3 ARG A 118 -0.144 -8.274 12.196 1.00 0.35 H new ATOM 0 HE ARG A 118 -2.038 -8.074 14.013 1.00 62.14 H new ATOM 0 HH11 ARG A 118 -1.119 -11.097 12.357 1.00 2.23 H new ATOM 0 HH12 ARG A 118 -1.624 -12.109 13.714 1.00 2.23 H new ATOM 0 HH21 ARG A 118 -2.639 -9.414 15.725 1.00 4.51 H new ATOM 0 HH22 ARG A 118 -2.471 -11.168 15.592 1.00 4.51 H new ATOM 2017 N GLU A 119 -1.207 -2.970 12.445 1.00 21.53 N ATOM 2018 CA GLU A 119 -1.036 -1.692 13.186 1.00 14.03 C ATOM 2019 C GLU A 119 -1.881 -0.570 12.556 1.00 10.13 C ATOM 2020 O GLU A 119 -2.477 0.235 13.263 1.00 64.22 O ATOM 2021 CB GLU A 119 0.456 -1.232 13.213 1.00 65.22 C ATOM 2022 CG GLU A 119 1.460 -2.231 13.830 1.00 4.02 C ATOM 2023 CD GLU A 119 1.171 -2.604 15.295 1.00 32.31 C ATOM 2024 OE1 GLU A 119 1.152 -1.699 16.158 1.00 34.40 O ATOM 2025 OE2 GLU A 119 0.996 -3.808 15.600 1.00 50.32 O ATOM 0 H GLU A 119 -0.324 -3.377 12.137 1.00 21.53 H new ATOM 0 HA GLU A 119 -1.370 -1.880 14.206 1.00 14.03 H new ATOM 0 HB2 GLU A 119 0.768 -1.018 12.191 1.00 65.22 H new ATOM 0 HB3 GLU A 119 0.517 -0.296 13.768 1.00 65.22 H new ATOM 0 HG2 GLU A 119 1.462 -3.141 13.230 1.00 4.02 H new ATOM 0 HG3 GLU A 119 2.462 -1.805 13.767 1.00 4.02 H new ATOM 2032 N PHE A 120 -1.909 -0.548 11.210 1.00 64.53 N ATOM 2033 CA PHE A 120 -2.715 0.398 10.421 1.00 54.02 C ATOM 2034 C PHE A 120 -4.205 0.289 10.791 1.00 11.34 C ATOM 2035 O PHE A 120 -4.860 1.295 11.079 1.00 51.02 O ATOM 2036 CB PHE A 120 -2.520 0.124 8.895 1.00 4.12 C ATOM 2037 CG PHE A 120 -3.576 0.785 7.991 1.00 23.41 C ATOM 2038 CD1 PHE A 120 -3.490 2.134 7.662 1.00 55.13 C ATOM 2039 CD2 PHE A 120 -4.664 0.054 7.493 1.00 45.05 C ATOM 2040 CE1 PHE A 120 -4.454 2.734 6.880 1.00 3.53 C ATOM 2041 CE2 PHE A 120 -5.628 0.657 6.720 1.00 73.20 C ATOM 2042 CZ PHE A 120 -5.517 1.992 6.404 1.00 21.34 C ATOM 0 H PHE A 120 -1.367 -1.194 10.636 1.00 64.53 H new ATOM 0 HA PHE A 120 -2.378 1.409 10.649 1.00 54.02 H new ATOM 0 HB2 PHE A 120 -1.533 0.477 8.598 1.00 4.12 H new ATOM 0 HB3 PHE A 120 -2.537 -0.953 8.726 1.00 4.12 H new ATOM 0 HD1 PHE A 120 -2.657 2.719 8.024 1.00 55.13 H new ATOM 0 HD2 PHE A 120 -4.746 -0.999 7.720 1.00 45.05 H new ATOM 0 HE1 PHE A 120 -4.378 3.784 6.640 1.00 3.53 H new ATOM 0 HE2 PHE A 120 -6.471 0.084 6.362 1.00 73.20 H new ATOM 0 HZ PHE A 120 -6.264 2.461 5.781 1.00 21.34 H new ATOM 2052 N MET A 121 -4.710 -0.953 10.773 1.00 63.12 N ATOM 2053 CA MET A 121 -6.151 -1.247 10.845 1.00 61.12 C ATOM 2054 C MET A 121 -6.756 -0.825 12.186 1.00 32.42 C ATOM 2055 O MET A 121 -7.903 -0.371 12.235 1.00 11.22 O ATOM 2056 CB MET A 121 -6.393 -2.750 10.569 1.00 71.43 C ATOM 2057 CG MET A 121 -5.969 -3.183 9.163 1.00 40.13 C ATOM 2058 SD MET A 121 -6.410 -4.884 8.806 1.00 54.40 S ATOM 2059 CE MET A 121 -5.896 -5.050 7.102 1.00 3.24 C ATOM 0 H MET A 121 -4.128 -1.788 10.708 1.00 63.12 H new ATOM 0 HA MET A 121 -6.656 -0.660 10.078 1.00 61.12 H new ATOM 0 HB2 MET A 121 -5.846 -3.340 11.304 1.00 71.43 H new ATOM 0 HB3 MET A 121 -7.451 -2.972 10.706 1.00 71.43 H new ATOM 0 HG2 MET A 121 -6.437 -2.528 8.428 1.00 40.13 H new ATOM 0 HG3 MET A 121 -4.891 -3.061 9.058 1.00 40.13 H new ATOM 0 HE1 MET A 121 -6.727 -5.426 6.506 1.00 3.24 H new ATOM 0 HE2 MET A 121 -5.586 -4.078 6.719 1.00 3.24 H new ATOM 0 HE3 MET A 121 -5.060 -5.747 7.040 1.00 3.24 H new ATOM 2069 N GLN A 122 -5.966 -0.951 13.259 1.00 15.31 N ATOM 2070 CA GLN A 122 -6.390 -0.526 14.598 1.00 52.31 C ATOM 2071 C GLN A 122 -6.208 0.998 14.777 1.00 32.34 C ATOM 2072 O GLN A 122 -7.088 1.659 15.313 1.00 3.05 O ATOM 2073 CB GLN A 122 -5.634 -1.323 15.697 1.00 13.40 C ATOM 2074 CG GLN A 122 -4.104 -1.166 15.699 1.00 63.21 C ATOM 2075 CD GLN A 122 -3.434 -1.886 16.864 1.00 31.43 C ATOM 2076 OE1 GLN A 122 -3.065 -3.052 16.762 1.00 22.53 O ATOM 2077 NE2 GLN A 122 -3.288 -1.200 17.988 1.00 13.33 N ATOM 0 H GLN A 122 -5.026 -1.346 13.225 1.00 15.31 H new ATOM 0 HA GLN A 122 -7.453 -0.745 14.704 1.00 52.31 H new ATOM 0 HB2 GLN A 122 -6.014 -1.014 16.671 1.00 13.40 H new ATOM 0 HB3 GLN A 122 -5.873 -2.380 15.583 1.00 13.40 H new ATOM 0 HG2 GLN A 122 -3.703 -1.552 14.762 1.00 63.21 H new ATOM 0 HG3 GLN A 122 -3.853 -0.106 15.741 1.00 63.21 H new ATOM 0 HE21 GLN A 122 -3.606 -0.232 18.040 1.00 13.33 H new ATOM 0 HE22 GLN A 122 -2.858 -1.640 18.802 1.00 13.33 H new ATOM 2086 N LYS A 123 -5.077 1.543 14.293 1.00 42.21 N ATOM 2087 CA LYS A 123 -4.666 2.942 14.555 1.00 14.32 C ATOM 2088 C LYS A 123 -5.503 3.940 13.728 1.00 31.41 C ATOM 2089 O LYS A 123 -6.142 4.842 14.287 1.00 23.01 O ATOM 2090 CB LYS A 123 -3.154 3.084 14.249 1.00 41.03 C ATOM 2091 CG LYS A 123 -2.548 4.474 14.518 1.00 63.44 C ATOM 2092 CD LYS A 123 -1.052 4.555 14.129 1.00 40.13 C ATOM 2093 CE LYS A 123 -0.797 4.216 12.645 1.00 42.33 C ATOM 2094 NZ LYS A 123 0.638 4.351 12.283 1.00 52.11 N ATOM 0 H LYS A 123 -4.419 1.028 13.708 1.00 42.21 H new ATOM 0 HA LYS A 123 -4.846 3.179 15.604 1.00 14.32 H new ATOM 0 HB2 LYS A 123 -2.611 2.349 14.844 1.00 41.03 H new ATOM 0 HB3 LYS A 123 -2.988 2.832 13.202 1.00 41.03 H new ATOM 0 HG2 LYS A 123 -3.106 5.224 13.959 1.00 63.44 H new ATOM 0 HG3 LYS A 123 -2.659 4.716 15.575 1.00 63.44 H new ATOM 0 HD2 LYS A 123 -0.682 5.559 14.336 1.00 40.13 H new ATOM 0 HD3 LYS A 123 -0.481 3.870 14.756 1.00 40.13 H new ATOM 0 HE2 LYS A 123 -1.128 3.197 12.444 1.00 42.33 H new ATOM 0 HE3 LYS A 123 -1.394 4.875 12.015 1.00 42.33 H new ATOM 0 HZ1 LYS A 123 0.766 4.114 11.278 1.00 52.11 H new ATOM 0 HZ2 LYS A 123 0.948 5.330 12.451 1.00 52.11 H new ATOM 0 HZ3 LYS A 123 1.206 3.704 12.866 1.00 52.11 H new ATOM 2108 N ALA A 124 -5.492 3.756 12.393 1.00 5.21 N ATOM 2109 CA ALA A 124 -6.316 4.549 11.461 1.00 0.32 C ATOM 2110 C ALA A 124 -7.811 4.265 11.698 1.00 23.11 C ATOM 2111 O ALA A 124 -8.649 5.168 11.601 1.00 73.15 O ATOM 2112 CB ALA A 124 -5.926 4.234 10.006 1.00 52.02 C ATOM 0 H ALA A 124 -4.913 3.055 11.932 1.00 5.21 H new ATOM 0 HA ALA A 124 -6.135 5.608 11.644 1.00 0.32 H new ATOM 0 HB1 ALA A 124 -6.541 4.826 9.328 1.00 52.02 H new ATOM 0 HB2 ALA A 124 -4.875 4.479 9.850 1.00 52.02 H new ATOM 0 HB3 ALA A 124 -6.085 3.174 9.808 1.00 52.02 H new ATOM 2118 N GLY A 125 -8.111 2.987 12.035 1.00 14.13 N ATOM 2119 CA GLY A 125 -9.469 2.545 12.366 1.00 12.24 C ATOM 2120 C GLY A 125 -10.043 3.205 13.613 1.00 51.34 C ATOM 2121 O GLY A 125 -11.268 3.333 13.739 1.00 72.43 O ATOM 0 H GLY A 125 -7.414 2.243 12.082 1.00 14.13 H new ATOM 0 HA2 GLY A 125 -10.125 2.754 11.521 1.00 12.24 H new ATOM 0 HA3 GLY A 125 -9.465 1.464 12.507 1.00 12.24 H new ATOM 2125 N SER A 126 -9.158 3.607 14.544 1.00 61.13 N ATOM 2126 CA SER A 126 -9.545 4.389 15.725 1.00 53.22 C ATOM 2127 C SER A 126 -9.934 5.822 15.319 1.00 53.42 C ATOM 2128 O SER A 126 -11.091 6.222 15.509 1.00 5.35 O ATOM 2129 CB SER A 126 -8.398 4.404 16.767 1.00 71.03 C ATOM 2130 OG SER A 126 -8.143 3.116 17.293 1.00 14.12 O ATOM 0 H SER A 126 -8.161 3.398 14.496 1.00 61.13 H new ATOM 0 HA SER A 126 -10.414 3.917 16.183 1.00 53.22 H new ATOM 0 HB2 SER A 126 -7.491 4.792 16.303 1.00 71.03 H new ATOM 0 HB3 SER A 126 -8.655 5.083 17.580 1.00 71.03 H new ATOM 0 HG SER A 126 -7.986 2.488 16.558 1.00 14.12 H new ATOM 2136 N LEU A 127 -8.949 6.584 14.754 1.00 51.40 N ATOM 2137 CA LEU A 127 -9.120 8.014 14.352 1.00 52.52 C ATOM 2138 C LEU A 127 -9.486 8.905 15.583 1.00 22.03 C ATOM 2139 O LEU A 127 -9.969 10.029 15.462 1.00 45.34 O ATOM 2140 CB LEU A 127 -10.164 8.108 13.187 1.00 53.44 C ATOM 2141 CG LEU A 127 -10.407 9.518 12.545 1.00 42.20 C ATOM 2142 CD1 LEU A 127 -9.111 10.124 11.954 1.00 41.43 C ATOM 2143 CD2 LEU A 127 -11.534 9.453 11.494 1.00 54.31 C ATOM 0 H LEU A 127 -8.014 6.223 14.565 1.00 51.40 H new ATOM 0 HA LEU A 127 -8.175 8.406 13.976 1.00 52.52 H new ATOM 0 HB2 LEU A 127 -9.847 7.428 12.396 1.00 53.44 H new ATOM 0 HB3 LEU A 127 -11.119 7.739 13.561 1.00 53.44 H new ATOM 0 HG LEU A 127 -10.726 10.189 13.343 1.00 42.20 H new ATOM 0 HD11 LEU A 127 -9.330 11.100 11.521 1.00 41.43 H new ATOM 0 HD12 LEU A 127 -8.368 10.236 12.744 1.00 41.43 H new ATOM 0 HD13 LEU A 127 -8.720 9.463 11.180 1.00 41.43 H new ATOM 0 HD21 LEU A 127 -11.686 10.442 11.062 1.00 54.31 H new ATOM 0 HD22 LEU A 127 -11.258 8.751 10.707 1.00 54.31 H new ATOM 0 HD23 LEU A 127 -12.456 9.120 11.970 1.00 54.31 H new ATOM 2155 N GLU A 128 -9.182 8.387 16.779 1.00 75.43 N ATOM 2156 CA GLU A 128 -9.506 9.042 18.062 1.00 2.42 C ATOM 2157 C GLU A 128 -8.509 10.156 18.386 1.00 20.32 C ATOM 2158 O GLU A 128 -8.899 11.167 18.981 1.00 10.34 O ATOM 2159 CB GLU A 128 -9.504 8.005 19.204 1.00 32.53 C ATOM 2160 CG GLU A 128 -10.461 6.815 18.986 1.00 74.11 C ATOM 2161 CD GLU A 128 -10.314 5.729 20.055 1.00 40.12 C ATOM 2162 OE1 GLU A 128 -9.212 5.161 20.160 1.00 4.02 O ATOM 2163 OE2 GLU A 128 -11.280 5.433 20.786 1.00 20.34 O ATOM 0 H GLU A 128 -8.700 7.495 16.890 1.00 75.43 H new ATOM 0 HA GLU A 128 -10.498 9.483 17.967 1.00 2.42 H new ATOM 0 HB2 GLU A 128 -8.491 7.623 19.329 1.00 32.53 H new ATOM 0 HB3 GLU A 128 -9.773 8.506 20.134 1.00 32.53 H new ATOM 0 HG2 GLU A 128 -11.489 7.178 18.983 1.00 74.11 H new ATOM 0 HG3 GLU A 128 -10.273 6.379 18.005 1.00 74.11 H new ATOM 2170 N HIS A 129 -7.221 9.918 18.011 1.00 2.31 N ATOM 2171 CA HIS A 129 -6.078 10.844 18.213 1.00 45.21 C ATOM 2172 C HIS A 129 -5.591 10.864 19.683 1.00 41.11 C ATOM 2173 O HIS A 129 -4.442 10.498 19.954 1.00 32.42 O ATOM 2174 CB HIS A 129 -6.393 12.284 17.696 1.00 43.30 C ATOM 2175 CG HIS A 129 -5.310 13.312 17.929 1.00 44.41 C ATOM 2176 ND1 HIS A 129 -5.291 14.135 19.033 1.00 53.42 N ATOM 2177 CD2 HIS A 129 -4.233 13.667 17.186 1.00 34.21 C ATOM 2178 CE1 HIS A 129 -4.262 14.947 18.959 1.00 71.01 C ATOM 2179 NE2 HIS A 129 -3.600 14.687 17.848 1.00 1.20 N ATOM 0 H HIS A 129 -6.945 9.052 17.548 1.00 2.31 H new ATOM 0 HA HIS A 129 -5.257 10.455 17.610 1.00 45.21 H new ATOM 0 HB2 HIS A 129 -6.595 12.231 16.626 1.00 43.30 H new ATOM 0 HB3 HIS A 129 -7.308 12.631 18.176 1.00 43.30 H new ATOM 0 HD2 HIS A 129 -3.930 13.228 16.247 1.00 34.21 H new ATOM 0 HE1 HIS A 129 -4.001 15.702 19.686 1.00 71.01 H new ATOM 0 HE2 HIS A 129 -2.756 15.166 17.533 1.00 1.20 H new ATOM 2188 N HIS A 130 -6.496 11.238 20.619 1.00 31.03 N ATOM 2189 CA HIS A 130 -6.144 11.612 22.014 1.00 21.03 C ATOM 2190 C HIS A 130 -5.517 10.477 22.868 1.00 4.35 C ATOM 2191 O HIS A 130 -5.078 10.745 23.989 1.00 43.11 O ATOM 2192 CB HIS A 130 -7.367 12.226 22.748 1.00 14.21 C ATOM 2193 CG HIS A 130 -8.509 11.282 23.024 1.00 33.42 C ATOM 2194 ND1 HIS A 130 -8.767 10.759 24.275 1.00 12.23 N ATOM 2195 CD2 HIS A 130 -9.481 10.794 22.214 1.00 35.31 C ATOM 2196 CE1 HIS A 130 -9.840 10.000 24.219 1.00 14.24 C ATOM 2197 NE2 HIS A 130 -10.292 10.008 22.982 1.00 10.33 N ATOM 0 H HIS A 130 -7.497 11.290 20.428 1.00 31.03 H new ATOM 0 HA HIS A 130 -5.356 12.358 21.907 1.00 21.03 H new ATOM 0 HB2 HIS A 130 -7.027 12.641 23.697 1.00 14.21 H new ATOM 0 HB3 HIS A 130 -7.744 13.058 22.153 1.00 14.21 H new ATOM 0 HD2 HIS A 130 -9.593 10.990 21.158 1.00 35.31 H new ATOM 0 HE1 HIS A 130 -10.276 9.461 25.047 1.00 14.24 H new ATOM 0 HE2 HIS A 130 -11.116 9.507 22.650 1.00 10.33 H new ATOM 2206 N HIS A 131 -5.500 9.225 22.363 1.00 75.11 N ATOM 2207 CA HIS A 131 -4.758 8.122 23.019 1.00 2.21 C ATOM 2208 C HIS A 131 -3.230 8.341 22.906 1.00 34.40 C ATOM 2209 O HIS A 131 -2.513 8.250 23.907 1.00 3.14 O ATOM 2210 CB HIS A 131 -5.185 6.721 22.463 1.00 20.14 C ATOM 2211 CG HIS A 131 -5.269 6.589 20.952 1.00 62.51 C ATOM 2212 ND1 HIS A 131 -6.463 6.493 20.275 1.00 55.53 N ATOM 2213 CD2 HIS A 131 -4.308 6.512 19.999 1.00 23.44 C ATOM 2214 CE1 HIS A 131 -6.227 6.364 18.990 1.00 21.12 C ATOM 2215 NE2 HIS A 131 -4.930 6.374 18.796 1.00 55.54 N ATOM 0 H HIS A 131 -5.987 8.952 21.510 1.00 75.11 H new ATOM 0 HA HIS A 131 -5.018 8.133 24.077 1.00 2.21 H new ATOM 0 HB2 HIS A 131 -4.478 5.978 22.832 1.00 20.14 H new ATOM 0 HB3 HIS A 131 -6.159 6.470 22.882 1.00 20.14 H new ATOM 0 HD2 HIS A 131 -3.242 6.553 20.164 1.00 23.44 H new ATOM 0 HE1 HIS A 131 -6.977 6.266 18.220 1.00 21.12 H new ATOM 0 HE2 HIS A 131 -4.464 6.292 17.892 1.00 55.54 H new ATOM 2224 N HIS A 132 -2.781 8.660 21.676 1.00 25.11 N ATOM 2225 CA HIS A 132 -1.366 8.878 21.306 1.00 51.52 C ATOM 2226 C HIS A 132 -1.292 9.134 19.790 1.00 44.22 C ATOM 2227 O HIS A 132 -2.241 8.807 19.061 1.00 31.12 O ATOM 2228 CB HIS A 132 -0.428 7.687 21.700 1.00 30.33 C ATOM 2229 CG HIS A 132 -0.764 6.343 21.080 1.00 1.52 C ATOM 2230 ND1 HIS A 132 -1.415 5.346 21.771 1.00 33.14 N ATOM 2231 CD2 HIS A 132 -0.516 5.831 19.844 1.00 2.21 C ATOM 2232 CE1 HIS A 132 -1.548 4.292 20.997 1.00 64.21 C ATOM 2233 NE2 HIS A 132 -1.015 4.558 19.824 1.00 32.00 N ATOM 0 H HIS A 132 -3.414 8.777 20.885 1.00 25.11 H new ATOM 0 HA HIS A 132 -1.006 9.740 21.868 1.00 51.52 H new ATOM 0 HB2 HIS A 132 0.593 7.948 21.423 1.00 30.33 H new ATOM 0 HB3 HIS A 132 -0.446 7.579 22.785 1.00 30.33 H new ATOM 0 HD2 HIS A 132 -0.018 6.336 19.030 1.00 2.21 H new ATOM 0 HE1 HIS A 132 -2.018 3.361 21.278 1.00 64.21 H new ATOM 0 HE2 HIS A 132 -0.980 3.919 19.030 1.00 32.00 H new ATOM 2242 N HIS A 133 -0.158 9.690 19.334 1.00 54.43 N ATOM 2243 CA HIS A 133 0.081 10.023 17.914 1.00 33.10 C ATOM 2244 C HIS A 133 1.537 10.511 17.726 1.00 1.14 C ATOM 2245 O HIS A 133 2.338 10.498 18.672 1.00 2.35 O ATOM 2246 CB HIS A 133 -0.922 11.114 17.416 1.00 3.12 C ATOM 2247 CG HIS A 133 -0.689 12.498 17.985 1.00 34.50 C ATOM 2248 ND1 HIS A 133 -0.258 13.557 17.219 1.00 23.53 N ATOM 2249 CD2 HIS A 133 -0.796 12.977 19.246 1.00 42.45 C ATOM 2250 CE1 HIS A 133 -0.129 14.621 17.975 1.00 61.40 C ATOM 2251 NE2 HIS A 133 -0.445 14.293 19.209 1.00 42.51 N ATOM 0 H HIS A 133 0.627 9.924 19.942 1.00 54.43 H new ATOM 0 HA HIS A 133 -0.076 9.123 17.319 1.00 33.10 H new ATOM 0 HB2 HIS A 133 -0.866 11.169 16.329 1.00 3.12 H new ATOM 0 HB3 HIS A 133 -1.935 10.799 17.668 1.00 3.12 H new ATOM 0 HD1 HIS A 133 -0.068 13.520 16.218 1.00 23.53 H new ATOM 0 HD2 HIS A 133 -1.102 12.420 20.119 1.00 42.45 H new ATOM 0 HE1 HIS A 133 0.183 15.599 17.641 1.00 61.40 H new ATOM 2260 N HIS A 134 1.865 10.941 16.496 1.00 41.32 N ATOM 2261 CA HIS A 134 3.153 11.591 16.162 1.00 42.10 C ATOM 2262 C HIS A 134 2.975 13.128 16.111 1.00 34.31 C ATOM 2263 O HIS A 134 3.700 13.854 16.822 1.00 32.42 O ATOM 2264 CB HIS A 134 3.701 11.054 14.813 1.00 72.20 C ATOM 2265 CG HIS A 134 4.213 9.645 14.899 1.00 31.14 C ATOM 2266 ND1 HIS A 134 5.502 9.348 15.278 1.00 62.34 N ATOM 2267 CD2 HIS A 134 3.612 8.455 14.664 1.00 4.12 C ATOM 2268 CE1 HIS A 134 5.672 8.042 15.266 1.00 53.01 C ATOM 2269 NE2 HIS A 134 4.541 7.477 14.899 1.00 63.52 N ATOM 2270 OXT HIS A 134 2.081 13.600 15.384 1.00 37.61 O ATOM 0 H HIS A 134 1.241 10.848 15.695 1.00 41.32 H new ATOM 0 HA HIS A 134 3.879 11.352 16.939 1.00 42.10 H new ATOM 0 HB2 HIS A 134 2.911 11.101 14.063 1.00 72.20 H new ATOM 0 HB3 HIS A 134 4.505 11.705 14.470 1.00 72.20 H new ATOM 0 HD2 HIS A 134 2.590 8.305 14.350 1.00 4.12 H new ATOM 0 HE1 HIS A 134 6.585 7.522 15.515 1.00 53.01 H new ATOM 0 HE2 HIS A 134 4.383 6.474 14.805 1.00 63.52 H new TER 2279 HIS A 134