USER MOD reduce.3.24.130724 H: found=0, std=0, add=1371, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1374 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 71 MET CE :methyl 171:sc= -0.0143 (180deg=-0.294) USER MOD Set 1.2: B 531 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 145 MET CE :methyl -113:sc= -0.607 (180deg=0) USER MOD Set 2.2: B 520 LYS NZ :NH3+ 180:sc= -0.794 (180deg=-0.46) USER MOD Set 2.3: B 527 MET CE :methyl -145:sc= -0.66 (180deg=-2.16!) USER MOD Set 3.1: A 94 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.000415) USER MOD Set 3.2: A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 36 MET CE :methyl -144:sc= -0.097 (180deg=-0.95) USER MOD Set 4.2: A 41 GLN : amide:sc= 0 X(o=-0.097,f=-0.35) USER MOD Set 5.1: A 21 LYS NZ :NH3+ -128:sc= 0.162 (180deg=-1.93!) USER MOD Set 5.2: A 34 THR OG1 : rot 82:sc= 1.43 USER MOD Set 6.1: A 5 THR OG1 : rot 139:sc= 0.696 USER MOD Set 6.2: A 8 GLN : amide:sc= -0.131 K(o=0.57,f=-5.5!) USER MOD Single : A 1 ALA N :NH3+ -173:sc= 0 (180deg=-0.0363) USER MOD Single : A 3 GLN : amide:sc= -0.0415 X(o=-0.042,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.743 USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.724 USER MOD Single : A 29 THR OG1 : rot -140:sc= -3.22! USER MOD Single : A 30 LYS NZ :NH3+ 167:sc=-0.00396 (180deg=-0.135) USER MOD Single : A 38 SER OG : rot -140:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -171:sc= -2.03! USER MOD Single : A 49 GLN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 51 MET CE :methyl -151:sc= -1.18 (180deg=-2.84!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.696 F(o=0,f=0.7) USER MOD Single : A 60 ASN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -17:sc= -1.54! USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= -1.91! (180deg=-1.95!) USER MOD Single : A 76 MET CE :methyl -177:sc= 0 (180deg=-0.0219) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.9!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.186 USER MOD Single : A 109 MET CE :methyl 150:sc= -0.132 (180deg=-0.835) USER MOD Single : A 110 THR OG1 : rot 109:sc= 1.24 USER MOD Single : A 111 ASN : amide:sc= -0.328 K(o=-0.33,f=-3.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 136:sc= 0.916 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.23 K(o=0.23,f=-3.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0288 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 177:sc= -0.051 (180deg=-0.0871) USER MOD Single : A 146 THR OG1 : rot 159:sc= -2.65! USER MOD Single : A 148 LYS NZ :NH3+ 161:sc= 0.00327 (180deg=0) USER MOD Single : B 505 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0.033) USER MOD Single : B 506 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 509 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -47:sc= -0.714 USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.866 -24.419 12.145 1.00 7.80 N ATOM 2 CA ALA A 1 0.604 -24.537 11.957 1.00 7.39 C ATOM 3 C ALA A 1 1.212 -23.219 11.476 1.00 6.58 C ATOM 4 O ALA A 1 2.284 -22.820 11.943 1.00 6.72 O ATOM 5 CB ALA A 1 0.922 -25.657 10.975 1.00 7.99 C ATOM 0 H1 ALA A 1 -1.231 -25.289 12.583 1.00 7.80 H new ATOM 0 H2 ALA A 1 -1.073 -23.608 12.762 1.00 7.80 H new ATOM 0 H3 ALA A 1 -1.324 -24.278 11.222 1.00 7.80 H new ATOM 0 HA ALA A 1 1.048 -24.776 12.923 1.00 7.39 H new ATOM 0 HB1 ALA A 1 2.002 -25.733 10.846 1.00 7.99 H new ATOM 0 HB2 ALA A 1 0.536 -26.600 11.361 1.00 7.99 H new ATOM 0 HB3 ALA A 1 0.456 -25.441 10.013 1.00 7.99 H new ATOM 13 N ASP A 2 0.520 -22.552 10.543 1.00 6.04 N ATOM 14 CA ASP A 2 0.981 -21.276 9.990 1.00 5.55 C ATOM 15 C ASP A 2 0.263 -20.098 10.653 1.00 4.87 C ATOM 16 O ASP A 2 -0.952 -20.143 10.863 1.00 5.13 O ATOM 17 CB ASP A 2 0.792 -21.237 8.459 1.00 5.87 C ATOM 18 CG ASP A 2 -0.617 -21.598 8.000 1.00 6.52 C ATOM 19 OD1 ASP A 2 -0.874 -22.797 7.760 1.00 7.04 O ATOM 20 OD2 ASP A 2 -1.456 -20.681 7.882 1.00 6.78 O ATOM 0 H ASP A 2 -0.365 -22.879 10.155 1.00 6.04 H new ATOM 0 HA ASP A 2 2.046 -21.187 10.203 1.00 5.55 H new ATOM 0 HB2 ASP A 2 1.036 -20.238 8.098 1.00 5.87 H new ATOM 0 HB3 ASP A 2 1.501 -21.925 7.998 1.00 5.87 H new ATOM 25 N GLN A 3 1.032 -19.053 10.975 1.00 4.34 N ATOM 26 CA GLN A 3 0.491 -17.853 11.614 1.00 3.83 C ATOM 27 C GLN A 3 0.907 -16.600 10.844 1.00 2.55 C ATOM 28 O GLN A 3 2.003 -16.547 10.277 1.00 2.57 O ATOM 29 CB GLN A 3 0.972 -17.766 13.071 1.00 4.64 C ATOM 30 CG GLN A 3 0.003 -17.054 14.014 1.00 5.89 C ATOM 31 CD GLN A 3 -1.157 -17.934 14.449 1.00 6.86 C ATOM 32 OE1 GLN A 3 -1.077 -18.632 15.460 1.00 7.41 O ATOM 33 NE2 GLN A 3 -2.243 -17.903 13.685 1.00 7.35 N ATOM 0 H GLN A 3 2.036 -19.016 10.802 1.00 4.34 H new ATOM 0 HA GLN A 3 -0.597 -17.917 11.605 1.00 3.83 H new ATOM 0 HB2 GLN A 3 1.147 -18.775 13.444 1.00 4.64 H new ATOM 0 HB3 GLN A 3 1.930 -17.247 13.094 1.00 4.64 H new ATOM 0 HG2 GLN A 3 0.546 -16.716 14.896 1.00 5.89 H new ATOM 0 HG3 GLN A 3 -0.388 -16.165 13.520 1.00 5.89 H new ATOM 0 HE21 GLN A 3 -2.266 -17.310 12.856 1.00 7.35 H new ATOM 0 HE22 GLN A 3 -3.054 -18.472 13.928 1.00 7.35 H new ATOM 42 N LEU A 4 0.021 -15.599 10.833 1.00 2.09 N ATOM 43 CA LEU A 4 0.277 -14.336 10.137 1.00 1.43 C ATOM 44 C LEU A 4 0.647 -13.243 11.113 1.00 1.51 C ATOM 45 O LEU A 4 0.123 -13.171 12.229 1.00 1.86 O ATOM 46 CB LEU A 4 -0.919 -13.859 9.302 1.00 2.32 C ATOM 47 CG LEU A 4 -1.838 -14.913 8.615 1.00 2.86 C ATOM 48 CD1 LEU A 4 -1.042 -15.967 7.847 1.00 3.65 C ATOM 49 CD2 LEU A 4 -2.780 -15.573 9.620 1.00 3.75 C ATOM 0 H LEU A 4 -0.884 -15.641 11.301 1.00 2.09 H new ATOM 0 HA LEU A 4 1.108 -14.537 9.461 1.00 1.43 H new ATOM 0 HB2 LEU A 4 -1.548 -13.248 9.950 1.00 2.32 H new ATOM 0 HB3 LEU A 4 -0.533 -13.203 8.522 1.00 2.32 H new ATOM 0 HG LEU A 4 -2.441 -14.369 7.888 1.00 2.86 H new ATOM 0 HD11 LEU A 4 -1.729 -16.678 7.387 1.00 3.65 H new ATOM 0 HD12 LEU A 4 -0.449 -15.482 7.072 1.00 3.65 H new ATOM 0 HD13 LEU A 4 -0.380 -16.495 8.534 1.00 3.65 H new ATOM 0 HD21 LEU A 4 -3.406 -16.303 9.107 1.00 3.75 H new ATOM 0 HD22 LEU A 4 -2.196 -16.075 10.391 1.00 3.75 H new ATOM 0 HD23 LEU A 4 -3.411 -14.813 10.081 1.00 3.75 H new ATOM 61 N THR A 5 1.560 -12.404 10.658 1.00 1.73 N ATOM 62 CA THR A 5 2.057 -11.278 11.429 1.00 2.05 C ATOM 63 C THR A 5 1.404 -9.990 10.924 1.00 1.66 C ATOM 64 O THR A 5 1.300 -9.782 9.720 1.00 1.15 O ATOM 65 CB THR A 5 3.591 -11.210 11.311 1.00 2.63 C ATOM 66 OG1 THR A 5 4.161 -12.438 11.780 1.00 3.14 O ATOM 67 CG2 THR A 5 4.199 -10.045 12.095 1.00 3.26 C ATOM 0 H THR A 5 1.982 -12.486 9.733 1.00 1.73 H new ATOM 0 HA THR A 5 1.802 -11.402 12.481 1.00 2.05 H new ATOM 0 HB THR A 5 3.822 -11.049 10.258 1.00 2.63 H new ATOM 0 HG1 THR A 5 4.892 -12.707 11.186 1.00 3.14 H new ATOM 0 HG21 THR A 5 5.282 -10.050 11.973 1.00 3.26 H new ATOM 0 HG22 THR A 5 3.796 -9.104 11.720 1.00 3.26 H new ATOM 0 HG23 THR A 5 3.953 -10.150 13.152 1.00 3.26 H new ATOM 75 N GLU A 6 1.093 -9.098 11.865 1.00 2.22 N ATOM 76 CA GLU A 6 0.393 -7.819 11.614 1.00 2.15 C ATOM 77 C GLU A 6 0.857 -7.019 10.386 1.00 1.73 C ATOM 78 O GLU A 6 0.038 -6.712 9.517 1.00 1.38 O ATOM 79 CB GLU A 6 0.532 -6.938 12.856 1.00 2.80 C ATOM 80 CG GLU A 6 -0.367 -7.338 14.024 1.00 3.25 C ATOM 81 CD GLU A 6 0.169 -8.523 14.809 1.00 3.82 C ATOM 82 OE1 GLU A 6 -0.168 -9.672 14.452 1.00 4.39 O ATOM 83 OE2 GLU A 6 0.925 -8.301 15.778 1.00 4.09 O ATOM 0 H GLU A 6 1.322 -9.240 12.849 1.00 2.22 H new ATOM 0 HA GLU A 6 -0.639 -8.095 11.396 1.00 2.15 H new ATOM 0 HB2 GLU A 6 1.570 -6.963 13.188 1.00 2.80 H new ATOM 0 HB3 GLU A 6 0.310 -5.907 12.581 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.481 -6.487 14.695 1.00 3.25 H new ATOM 0 HG3 GLU A 6 -1.360 -7.580 13.645 1.00 3.25 H new ATOM 90 N GLU A 7 2.152 -6.687 10.311 1.00 1.90 N ATOM 91 CA GLU A 7 2.670 -5.884 9.206 1.00 1.65 C ATOM 92 C GLU A 7 3.008 -6.703 7.973 1.00 1.44 C ATOM 93 O GLU A 7 3.131 -6.149 6.876 1.00 1.23 O ATOM 94 CB GLU A 7 3.886 -5.063 9.649 1.00 2.06 C ATOM 95 CG GLU A 7 3.543 -3.898 10.566 1.00 2.28 C ATOM 96 CD GLU A 7 4.776 -3.193 11.097 1.00 2.65 C ATOM 97 OE1 GLU A 7 5.144 -3.440 12.264 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.374 -2.396 10.344 1.00 2.91 O ATOM 0 H GLU A 7 2.853 -6.962 10.999 1.00 1.90 H new ATOM 0 HA GLU A 7 1.863 -5.209 8.921 1.00 1.65 H new ATOM 0 HB2 GLU A 7 4.589 -5.720 10.161 1.00 2.06 H new ATOM 0 HB3 GLU A 7 4.394 -4.679 8.765 1.00 2.06 H new ATOM 0 HG2 GLU A 7 2.925 -3.183 10.023 1.00 2.28 H new ATOM 0 HG3 GLU A 7 2.948 -4.262 11.403 1.00 2.28 H new ATOM 105 N GLN A 8 3.157 -8.011 8.150 1.00 1.67 N ATOM 106 CA GLN A 8 3.452 -8.908 7.036 1.00 1.66 C ATOM 107 C GLN A 8 2.180 -9.113 6.209 1.00 1.23 C ATOM 108 O GLN A 8 2.222 -9.097 4.976 1.00 1.28 O ATOM 109 CB GLN A 8 4.016 -10.236 7.550 1.00 1.98 C ATOM 110 CG GLN A 8 5.240 -10.058 8.445 1.00 2.48 C ATOM 111 CD GLN A 8 6.022 -11.344 8.639 1.00 2.88 C ATOM 112 OE1 GLN A 8 5.765 -12.114 9.563 1.00 3.21 O ATOM 113 NE2 GLN A 8 6.989 -11.583 7.761 1.00 3.41 N ATOM 0 H GLN A 8 3.078 -8.475 9.055 1.00 1.67 H new ATOM 0 HA GLN A 8 4.214 -8.464 6.396 1.00 1.66 H new ATOM 0 HB2 GLN A 8 3.240 -10.763 8.105 1.00 1.98 H new ATOM 0 HB3 GLN A 8 4.282 -10.864 6.700 1.00 1.98 H new ATOM 0 HG2 GLN A 8 5.895 -9.303 8.010 1.00 2.48 H new ATOM 0 HG3 GLN A 8 4.921 -9.682 9.417 1.00 2.48 H new ATOM 0 HE21 GLN A 8 7.170 -10.919 7.009 1.00 3.41 H new ATOM 0 HE22 GLN A 8 7.550 -12.431 7.839 1.00 3.41 H new ATOM 122 N ILE A 9 1.053 -9.301 6.915 1.00 0.97 N ATOM 123 CA ILE A 9 -0.262 -9.450 6.276 1.00 0.68 C ATOM 124 C ILE A 9 -0.947 -8.098 6.060 1.00 0.57 C ATOM 125 O ILE A 9 -1.891 -8.006 5.277 1.00 0.67 O ATOM 126 CB ILE A 9 -1.249 -10.401 7.018 1.00 0.76 C ATOM 127 CG1 ILE A 9 -0.971 -10.500 8.504 1.00 1.22 C ATOM 128 CG2 ILE A 9 -1.249 -11.781 6.389 1.00 1.14 C ATOM 129 CD1 ILE A 9 -1.577 -9.351 9.251 1.00 2.46 C ATOM 0 H ILE A 9 1.028 -9.353 7.933 1.00 0.97 H new ATOM 0 HA ILE A 9 -0.031 -9.916 5.318 1.00 0.68 H new ATOM 0 HB ILE A 9 -2.239 -9.958 6.909 1.00 0.76 H new ATOM 0 HG12 ILE A 9 -1.371 -11.438 8.889 1.00 1.22 H new ATOM 0 HG13 ILE A 9 0.106 -10.519 8.674 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -1.946 -12.425 6.925 1.00 1.14 H new ATOM 0 HG22 ILE A 9 -1.555 -11.705 5.345 1.00 1.14 H new ATOM 0 HG23 ILE A 9 -0.247 -12.206 6.444 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -1.359 -9.453 10.314 1.00 2.46 H new ATOM 0 HD12 ILE A 9 -1.157 -8.415 8.882 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -2.657 -9.348 9.101 1.00 2.46 H new ATOM 141 N ALA A 10 -0.446 -7.050 6.746 1.00 0.59 N ATOM 142 CA ALA A 10 -1.009 -5.678 6.671 1.00 0.64 C ATOM 143 C ALA A 10 -1.327 -5.158 5.271 1.00 0.58 C ATOM 144 O ALA A 10 -2.258 -4.361 5.118 1.00 0.70 O ATOM 145 CB ALA A 10 -0.038 -4.684 7.256 1.00 0.80 C ATOM 0 H ALA A 10 0.359 -7.127 7.368 1.00 0.59 H new ATOM 0 HA ALA A 10 -1.946 -5.765 7.221 1.00 0.64 H new ATOM 0 HB1 ALA A 10 -0.462 -3.682 7.195 1.00 0.80 H new ATOM 0 HB2 ALA A 10 0.154 -4.934 8.299 1.00 0.80 H new ATOM 0 HB3 ALA A 10 0.897 -4.717 6.697 1.00 0.80 H new ATOM 151 N GLU A 11 -0.581 -5.601 4.256 1.00 0.50 N ATOM 152 CA GLU A 11 -0.766 -5.056 2.919 1.00 0.51 C ATOM 153 C GLU A 11 -1.838 -5.808 2.134 1.00 0.49 C ATOM 154 O GLU A 11 -2.866 -5.226 1.806 1.00 0.50 O ATOM 155 CB GLU A 11 0.568 -5.032 2.140 1.00 0.59 C ATOM 156 CG GLU A 11 0.501 -4.324 0.777 1.00 0.64 C ATOM 157 CD GLU A 11 0.119 -5.258 -0.358 1.00 0.88 C ATOM 158 OE1 GLU A 11 -1.074 -5.289 -0.725 1.00 1.48 O ATOM 159 OE2 GLU A 11 1.012 -5.957 -0.878 1.00 1.48 O ATOM 0 H GLU A 11 0.139 -6.319 4.335 1.00 0.50 H new ATOM 0 HA GLU A 11 -1.114 -4.030 3.039 1.00 0.51 H new ATOM 0 HB2 GLU A 11 1.323 -4.540 2.753 1.00 0.59 H new ATOM 0 HB3 GLU A 11 0.902 -6.058 1.986 1.00 0.59 H new ATOM 0 HG2 GLU A 11 -0.223 -3.511 0.831 1.00 0.64 H new ATOM 0 HG3 GLU A 11 1.470 -3.874 0.560 1.00 0.64 H new ATOM 166 N PHE A 12 -1.610 -7.107 1.864 1.00 0.52 N ATOM 167 CA PHE A 12 -2.563 -7.896 1.077 1.00 0.53 C ATOM 168 C PHE A 12 -3.876 -8.128 1.813 1.00 0.49 C ATOM 169 O PHE A 12 -4.885 -8.427 1.173 1.00 0.54 O ATOM 170 CB PHE A 12 -1.960 -9.216 0.550 1.00 0.63 C ATOM 171 CG PHE A 12 -1.211 -10.060 1.549 1.00 1.22 C ATOM 172 CD1 PHE A 12 -1.794 -11.195 2.089 1.00 2.05 C ATOM 173 CD2 PHE A 12 0.086 -9.737 1.918 1.00 2.14 C ATOM 174 CE1 PHE A 12 -1.099 -11.991 2.978 1.00 3.03 C ATOM 175 CE2 PHE A 12 0.784 -10.526 2.810 1.00 3.14 C ATOM 176 CZ PHE A 12 0.192 -11.655 3.340 1.00 3.44 C ATOM 0 H PHE A 12 -0.786 -7.622 2.176 1.00 0.52 H new ATOM 0 HA PHE A 12 -2.793 -7.290 0.201 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -2.768 -9.817 0.133 1.00 0.63 H new ATOM 0 HB3 PHE A 12 -1.283 -8.978 -0.271 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -2.803 -11.460 1.811 1.00 2.05 H new ATOM 0 HD2 PHE A 12 0.556 -8.858 1.503 1.00 2.14 H new ATOM 0 HE1 PHE A 12 -1.563 -12.875 3.390 1.00 3.03 H new ATOM 0 HE2 PHE A 12 1.792 -10.260 3.093 1.00 3.14 H new ATOM 0 HZ PHE A 12 0.737 -12.275 4.037 1.00 3.44 H new ATOM 186 N LYS A 13 -3.869 -8.001 3.154 1.00 0.47 N ATOM 187 CA LYS A 13 -5.091 -8.129 3.931 1.00 0.48 C ATOM 188 C LYS A 13 -6.009 -6.966 3.713 1.00 0.48 C ATOM 189 O LYS A 13 -7.195 -7.124 3.423 1.00 0.52 O ATOM 190 CB LYS A 13 -4.818 -8.159 5.430 1.00 0.51 C ATOM 191 CG LYS A 13 -5.974 -8.737 6.211 1.00 0.57 C ATOM 192 CD LYS A 13 -6.166 -10.193 5.830 1.00 0.60 C ATOM 193 CE LYS A 13 -7.627 -10.608 5.892 1.00 0.66 C ATOM 194 NZ LYS A 13 -7.811 -12.045 5.548 1.00 1.21 N ATOM 0 H LYS A 13 -3.033 -7.812 3.707 1.00 0.47 H new ATOM 0 HA LYS A 13 -5.541 -9.063 3.595 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -3.922 -8.749 5.622 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -4.615 -7.147 5.781 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -5.782 -8.652 7.281 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -6.884 -8.173 6.005 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -5.784 -10.358 4.822 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -5.581 -10.824 6.500 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -8.015 -10.422 6.893 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -8.209 -9.993 5.205 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -8.821 -12.288 5.602 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -7.464 -12.218 4.583 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -7.277 -12.634 6.219 1.00 1.21 H new ATOM 208 N GLU A 14 -5.448 -5.799 3.915 1.00 0.47 N ATOM 209 CA GLU A 14 -6.188 -4.598 3.795 1.00 0.49 C ATOM 210 C GLU A 14 -6.467 -4.299 2.330 1.00 0.49 C ATOM 211 O GLU A 14 -7.500 -3.727 1.973 1.00 0.54 O ATOM 212 CB GLU A 14 -5.420 -3.465 4.450 1.00 0.50 C ATOM 213 CG GLU A 14 -5.613 -3.360 5.956 1.00 0.52 C ATOM 214 CD GLU A 14 -6.819 -2.522 6.339 1.00 1.25 C ATOM 215 OE1 GLU A 14 -7.920 -3.095 6.480 1.00 1.99 O ATOM 216 OE2 GLU A 14 -6.661 -1.294 6.499 1.00 1.95 O ATOM 0 H GLU A 14 -4.468 -5.671 4.166 1.00 0.47 H new ATOM 0 HA GLU A 14 -7.147 -4.706 4.302 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -4.358 -3.594 4.241 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -5.723 -2.524 3.991 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -5.725 -4.361 6.374 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -4.718 -2.926 6.403 1.00 0.52 H new ATOM 223 N ALA A 15 -5.503 -4.709 1.499 1.00 0.46 N ATOM 224 CA ALA A 15 -5.596 -4.582 0.050 1.00 0.48 C ATOM 225 C ALA A 15 -6.439 -5.708 -0.532 1.00 0.50 C ATOM 226 O ALA A 15 -6.599 -5.848 -1.751 1.00 0.55 O ATOM 227 CB ALA A 15 -4.222 -4.524 -0.601 1.00 0.50 C ATOM 0 H ALA A 15 -4.635 -5.139 1.819 1.00 0.46 H new ATOM 0 HA ALA A 15 -6.091 -3.636 -0.171 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -4.335 -4.429 -1.681 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -3.673 -3.664 -0.217 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -3.672 -5.437 -0.372 1.00 0.50 H new ATOM 233 N PHE A 16 -6.981 -6.486 0.392 1.00 0.49 N ATOM 234 CA PHE A 16 -7.870 -7.604 0.090 1.00 0.53 C ATOM 235 C PHE A 16 -9.285 -7.049 -0.039 1.00 0.57 C ATOM 236 O PHE A 16 -9.989 -7.357 -0.999 1.00 0.60 O ATOM 237 CB PHE A 16 -7.811 -8.702 1.176 1.00 0.55 C ATOM 238 CG PHE A 16 -8.234 -10.062 0.690 1.00 0.56 C ATOM 239 CD1 PHE A 16 -7.304 -10.944 0.164 1.00 1.27 C ATOM 240 CD2 PHE A 16 -9.561 -10.456 0.761 1.00 1.27 C ATOM 241 CE1 PHE A 16 -7.689 -12.194 -0.282 1.00 1.31 C ATOM 242 CE2 PHE A 16 -9.952 -11.705 0.316 1.00 1.27 C ATOM 243 CZ PHE A 16 -9.015 -12.575 -0.206 1.00 0.62 C ATOM 0 H PHE A 16 -6.815 -6.359 1.390 1.00 0.49 H new ATOM 0 HA PHE A 16 -7.554 -8.076 -0.840 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -6.793 -8.765 1.561 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -8.450 -8.410 2.010 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -6.266 -10.651 0.102 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -10.298 -9.780 1.169 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -6.954 -12.872 -0.690 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -10.989 -12.000 0.376 1.00 1.27 H new ATOM 0 HZ PHE A 16 -9.318 -13.551 -0.554 1.00 0.62 H new ATOM 253 N SER A 17 -9.684 -6.214 0.944 1.00 0.61 N ATOM 254 CA SER A 17 -11.004 -5.576 0.926 1.00 0.67 C ATOM 255 C SER A 17 -10.980 -4.278 0.102 1.00 0.74 C ATOM 256 O SER A 17 -12.030 -3.752 -0.275 1.00 0.78 O ATOM 257 CB SER A 17 -11.488 -5.294 2.350 1.00 0.74 C ATOM 258 OG SER A 17 -11.590 -6.491 3.101 1.00 1.41 O ATOM 0 H SER A 17 -9.111 -5.971 1.752 1.00 0.61 H new ATOM 0 HA SER A 17 -11.702 -6.266 0.452 1.00 0.67 H new ATOM 0 HB2 SER A 17 -10.798 -4.610 2.843 1.00 0.74 H new ATOM 0 HB3 SER A 17 -12.458 -4.799 2.316 1.00 0.74 H new ATOM 0 HG SER A 17 -11.899 -6.283 4.007 1.00 1.41 H new ATOM 264 N LEU A 18 -9.759 -3.780 -0.165 1.00 0.79 N ATOM 265 CA LEU A 18 -9.530 -2.555 -0.963 1.00 0.91 C ATOM 266 C LEU A 18 -10.000 -2.784 -2.403 1.00 0.81 C ATOM 267 O LEU A 18 -10.621 -1.911 -3.017 1.00 0.79 O ATOM 268 CB LEU A 18 -8.015 -2.208 -0.929 1.00 1.26 C ATOM 269 CG LEU A 18 -7.538 -0.819 -1.446 1.00 0.69 C ATOM 270 CD1 LEU A 18 -6.046 -0.681 -1.243 1.00 1.59 C ATOM 271 CD2 LEU A 18 -7.788 -0.619 -2.930 1.00 0.83 C ATOM 0 H LEU A 18 -8.898 -4.215 0.167 1.00 0.79 H new ATOM 0 HA LEU A 18 -10.096 -1.723 -0.545 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -7.680 -2.305 0.104 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -7.492 -2.970 -1.507 1.00 1.26 H new ATOM 0 HG LEU A 18 -8.107 -0.080 -0.882 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -5.718 0.293 -1.607 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -5.813 -0.769 -0.182 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -5.530 -1.467 -1.794 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -7.434 0.368 -3.229 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -7.254 -1.383 -3.495 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -8.856 -0.698 -3.133 1.00 0.83 H new ATOM 283 N PHE A 19 -9.684 -3.974 -2.913 1.00 0.84 N ATOM 284 CA PHE A 19 -10.050 -4.387 -4.260 1.00 0.86 C ATOM 285 C PHE A 19 -11.368 -5.124 -4.265 1.00 0.75 C ATOM 286 O PHE A 19 -12.283 -4.764 -4.990 1.00 0.79 O ATOM 287 CB PHE A 19 -9.013 -5.371 -4.814 1.00 1.02 C ATOM 288 CG PHE A 19 -7.699 -4.797 -5.286 1.00 0.85 C ATOM 289 CD1 PHE A 19 -6.850 -4.123 -4.419 1.00 1.41 C ATOM 290 CD2 PHE A 19 -7.295 -4.976 -6.599 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.630 -3.641 -4.854 1.00 1.60 C ATOM 292 CE2 PHE A 19 -6.081 -4.494 -7.039 1.00 1.64 C ATOM 293 CZ PHE A 19 -5.245 -3.828 -6.168 1.00 1.28 C ATOM 0 H PHE A 19 -9.162 -4.682 -2.396 1.00 0.84 H new ATOM 0 HA PHE A 19 -10.109 -3.480 -4.861 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.801 -6.109 -4.040 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -9.467 -5.906 -5.648 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.147 -3.973 -3.391 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -7.941 -5.501 -7.288 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.979 -3.119 -4.168 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -5.784 -4.638 -8.067 1.00 1.64 H new ATOM 0 HZ PHE A 19 -4.292 -3.454 -6.512 1.00 1.28 H new ATOM 303 N ASP A 20 -11.463 -6.131 -3.399 1.00 0.68 N ATOM 304 CA ASP A 20 -12.613 -7.013 -3.365 1.00 0.63 C ATOM 305 C ASP A 20 -13.916 -6.356 -2.876 1.00 0.66 C ATOM 306 O ASP A 20 -14.175 -6.258 -1.670 1.00 0.74 O ATOM 307 CB ASP A 20 -12.273 -8.284 -2.566 1.00 0.60 C ATOM 308 CG ASP A 20 -11.862 -9.417 -3.476 1.00 1.67 C ATOM 309 OD1 ASP A 20 -10.728 -9.919 -3.330 1.00 2.45 O ATOM 310 OD2 ASP A 20 -12.677 -9.799 -4.339 1.00 2.31 O ATOM 0 H ASP A 20 -10.746 -6.352 -2.708 1.00 0.68 H new ATOM 0 HA ASP A 20 -12.826 -7.280 -4.400 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.467 -8.069 -1.864 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -13.138 -8.586 -1.975 1.00 0.60 H new ATOM 315 N LYS A 21 -14.719 -5.884 -3.854 1.00 0.73 N ATOM 316 CA LYS A 21 -16.043 -5.284 -3.592 1.00 0.80 C ATOM 317 C LYS A 21 -17.031 -6.408 -3.346 1.00 0.82 C ATOM 318 O LYS A 21 -17.852 -6.369 -2.426 1.00 0.91 O ATOM 319 CB LYS A 21 -16.517 -4.447 -4.777 1.00 1.01 C ATOM 320 CG LYS A 21 -15.724 -3.185 -4.980 1.00 0.97 C ATOM 321 CD LYS A 21 -14.596 -3.449 -5.947 1.00 0.95 C ATOM 322 CE LYS A 21 -13.664 -2.253 -6.070 1.00 1.05 C ATOM 323 NZ LYS A 21 -14.152 -1.271 -7.076 1.00 1.63 N ATOM 0 H LYS A 21 -14.468 -5.908 -4.842 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.971 -4.628 -2.725 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -16.461 -5.051 -5.683 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -17.566 -4.188 -4.631 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -16.369 -2.395 -5.365 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -15.326 -2.836 -4.027 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -14.029 -4.319 -5.615 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -15.007 -3.692 -6.927 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.571 -1.764 -5.100 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.668 -2.596 -6.351 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -13.390 -1.057 -7.751 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -14.964 -1.672 -7.587 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.443 -0.396 -6.595 1.00 1.63 H new ATOM 337 N ASP A 22 -16.907 -7.409 -4.217 1.00 0.85 N ATOM 338 CA ASP A 22 -17.698 -8.641 -4.150 1.00 0.97 C ATOM 339 C ASP A 22 -16.996 -9.592 -3.171 1.00 0.88 C ATOM 340 O ASP A 22 -17.618 -10.118 -2.244 1.00 1.02 O ATOM 341 CB ASP A 22 -17.832 -9.270 -5.547 1.00 1.12 C ATOM 342 CG ASP A 22 -18.979 -10.263 -5.641 1.00 1.36 C ATOM 343 OD1 ASP A 22 -18.752 -11.460 -5.365 1.00 2.09 O ATOM 344 OD2 ASP A 22 -20.102 -9.842 -5.990 1.00 1.48 O ATOM 0 H ASP A 22 -16.249 -7.389 -4.996 1.00 0.85 H new ATOM 0 HA ASP A 22 -18.709 -8.432 -3.799 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.981 -8.480 -6.283 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -16.900 -9.774 -5.804 1.00 1.12 H new ATOM 349 N GLY A 23 -15.685 -9.796 -3.408 1.00 0.75 N ATOM 350 CA GLY A 23 -14.846 -10.598 -2.528 1.00 0.75 C ATOM 351 C GLY A 23 -15.199 -12.057 -2.387 1.00 0.85 C ATOM 352 O GLY A 23 -15.410 -12.541 -1.271 1.00 1.01 O ATOM 0 H GLY A 23 -15.191 -9.408 -4.212 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -13.819 -10.531 -2.886 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -14.868 -10.147 -1.536 1.00 0.75 H new ATOM 356 N ASP A 24 -15.267 -12.758 -3.518 1.00 0.82 N ATOM 357 CA ASP A 24 -15.503 -14.209 -3.530 1.00 0.95 C ATOM 358 C ASP A 24 -14.240 -14.880 -2.965 1.00 0.87 C ATOM 359 O ASP A 24 -14.124 -16.104 -2.844 1.00 0.96 O ATOM 360 CB ASP A 24 -15.687 -14.641 -4.967 1.00 1.00 C ATOM 361 CG ASP A 24 -16.351 -16.000 -5.116 1.00 1.41 C ATOM 362 OD1 ASP A 24 -17.596 -16.047 -5.197 1.00 1.96 O ATOM 363 OD2 ASP A 24 -15.624 -17.015 -5.152 1.00 1.93 O ATOM 0 H ASP A 24 -15.162 -12.346 -4.445 1.00 0.82 H new ATOM 0 HA ASP A 24 -16.381 -14.479 -2.943 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -16.287 -13.894 -5.488 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -14.714 -14.666 -5.457 1.00 1.00 H new ATOM 368 N GLY A 25 -13.329 -13.982 -2.625 1.00 0.74 N ATOM 369 CA GLY A 25 -12.031 -14.286 -2.060 1.00 0.72 C ATOM 370 C GLY A 25 -10.924 -14.003 -3.048 1.00 0.65 C ATOM 371 O GLY A 25 -9.739 -14.080 -2.709 1.00 0.69 O ATOM 0 H GLY A 25 -13.484 -12.981 -2.742 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -11.877 -13.694 -1.158 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -11.997 -15.334 -1.763 1.00 0.72 H new ATOM 375 N THR A 26 -11.330 -13.675 -4.274 1.00 0.62 N ATOM 376 CA THR A 26 -10.411 -13.327 -5.338 1.00 0.58 C ATOM 377 C THR A 26 -10.604 -11.893 -5.805 1.00 0.57 C ATOM 378 O THR A 26 -11.693 -11.337 -5.697 1.00 0.64 O ATOM 379 CB THR A 26 -10.587 -14.223 -6.551 1.00 0.60 C ATOM 380 OG1 THR A 26 -11.970 -14.276 -6.937 1.00 0.63 O ATOM 381 CG2 THR A 26 -10.078 -15.622 -6.271 1.00 0.64 C ATOM 0 H THR A 26 -12.311 -13.645 -4.550 1.00 0.62 H new ATOM 0 HA THR A 26 -9.414 -13.455 -4.916 1.00 0.58 H new ATOM 0 HB THR A 26 -10.003 -13.800 -7.368 1.00 0.60 H new ATOM 0 HG1 THR A 26 -12.094 -14.973 -7.614 1.00 0.63 H new ATOM 0 HG21 THR A 26 -10.216 -16.243 -7.156 1.00 0.64 H new ATOM 0 HG22 THR A 26 -9.018 -15.580 -6.019 1.00 0.64 H new ATOM 0 HG23 THR A 26 -10.633 -16.051 -5.437 1.00 0.64 H new ATOM 389 N ILE A 27 -9.545 -11.345 -6.389 1.00 0.54 N ATOM 390 CA ILE A 27 -9.516 -9.997 -6.887 1.00 0.53 C ATOM 391 C ILE A 27 -9.775 -9.942 -8.349 1.00 0.53 C ATOM 392 O ILE A 27 -9.069 -10.539 -9.144 1.00 0.51 O ATOM 393 CB ILE A 27 -8.182 -9.351 -6.563 1.00 0.49 C ATOM 394 CG1 ILE A 27 -8.283 -8.808 -5.164 1.00 0.52 C ATOM 395 CG2 ILE A 27 -7.783 -8.249 -7.551 1.00 0.47 C ATOM 396 CD1 ILE A 27 -7.446 -9.566 -4.159 1.00 0.54 C ATOM 0 H ILE A 27 -8.668 -11.847 -6.527 1.00 0.54 H new ATOM 0 HA ILE A 27 -10.314 -9.443 -6.393 1.00 0.53 H new ATOM 0 HB ILE A 27 -7.395 -10.101 -6.646 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -7.975 -7.762 -5.166 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -9.326 -8.833 -4.848 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -6.820 -7.830 -7.260 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -7.708 -8.669 -8.554 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -8.538 -7.462 -7.543 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -7.568 -9.119 -3.173 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -7.769 -10.607 -4.128 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -6.397 -9.520 -4.451 1.00 0.54 H new ATOM 408 N THR A 28 -10.744 -9.152 -8.682 1.00 0.59 N ATOM 409 CA THR A 28 -11.147 -9.006 -10.059 1.00 0.61 C ATOM 410 C THR A 28 -10.604 -7.731 -10.662 1.00 0.58 C ATOM 411 O THR A 28 -10.094 -6.839 -9.976 1.00 0.57 O ATOM 412 CB THR A 28 -12.676 -9.057 -10.198 1.00 0.69 C ATOM 413 OG1 THR A 28 -13.258 -9.801 -9.117 1.00 0.75 O ATOM 414 CG2 THR A 28 -13.106 -9.680 -11.528 1.00 0.73 C ATOM 0 H THR A 28 -11.280 -8.591 -8.020 1.00 0.59 H new ATOM 0 HA THR A 28 -10.725 -9.846 -10.610 1.00 0.61 H new ATOM 0 HB THR A 28 -13.033 -8.027 -10.168 1.00 0.69 H new ATOM 0 HG1 THR A 28 -13.277 -9.245 -8.310 1.00 0.75 H new ATOM 0 HG21 THR A 28 -14.194 -9.697 -11.587 1.00 0.73 H new ATOM 0 HG22 THR A 28 -12.708 -9.089 -12.352 1.00 0.73 H new ATOM 0 HG23 THR A 28 -12.723 -10.698 -11.594 1.00 0.73 H new ATOM 422 N THR A 29 -10.742 -7.694 -11.969 1.00 0.58 N ATOM 423 CA THR A 29 -10.272 -6.610 -12.813 1.00 0.57 C ATOM 424 C THR A 29 -10.991 -5.288 -12.512 1.00 0.62 C ATOM 425 O THR A 29 -10.320 -4.281 -12.282 1.00 0.64 O ATOM 426 CB THR A 29 -10.374 -6.976 -14.329 1.00 0.58 C ATOM 427 OG1 THR A 29 -11.537 -6.391 -14.931 1.00 0.66 O ATOM 428 CG2 THR A 29 -10.414 -8.478 -14.572 1.00 0.59 C ATOM 0 H THR A 29 -11.199 -8.440 -12.493 1.00 0.58 H new ATOM 0 HA THR A 29 -9.218 -6.463 -12.576 1.00 0.57 H new ATOM 0 HB THR A 29 -9.471 -6.572 -14.786 1.00 0.58 H new ATOM 0 HG1 THR A 29 -11.941 -7.032 -15.552 1.00 0.66 H new ATOM 0 HG21 THR A 29 -10.485 -8.672 -15.642 1.00 0.59 H new ATOM 0 HG22 THR A 29 -9.505 -8.934 -14.180 1.00 0.59 H new ATOM 0 HG23 THR A 29 -11.281 -8.905 -14.068 1.00 0.59 H new ATOM 436 N LYS A 30 -12.346 -5.287 -12.461 1.00 0.77 N ATOM 437 CA LYS A 30 -13.109 -4.045 -12.167 1.00 0.85 C ATOM 438 C LYS A 30 -12.604 -3.360 -10.884 1.00 0.84 C ATOM 439 O LYS A 30 -12.851 -2.175 -10.664 1.00 0.93 O ATOM 440 CB LYS A 30 -14.633 -4.299 -12.090 1.00 1.01 C ATOM 441 CG LYS A 30 -15.109 -5.216 -10.957 1.00 1.06 C ATOM 442 CD LYS A 30 -15.057 -6.681 -11.362 1.00 1.10 C ATOM 443 CE LYS A 30 -15.788 -7.564 -10.356 1.00 1.16 C ATOM 444 NZ LYS A 30 -17.267 -7.379 -10.413 1.00 1.66 N ATOM 0 H LYS A 30 -12.924 -6.113 -12.616 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.933 -3.368 -13.003 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -15.136 -3.337 -11.987 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -14.957 -4.729 -13.038 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -14.487 -5.059 -10.076 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -16.129 -4.951 -10.678 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -15.505 -6.803 -12.348 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -14.018 -7.001 -11.442 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -15.547 -8.609 -10.550 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -15.434 -7.336 -9.351 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -17.733 -8.142 -9.882 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -17.518 -6.461 -9.993 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -17.582 -7.405 -11.404 1.00 1.66 H new ATOM 458 N GLU A 31 -11.901 -4.146 -10.059 1.00 0.82 N ATOM 459 CA GLU A 31 -11.313 -3.691 -8.811 1.00 0.87 C ATOM 460 C GLU A 31 -9.936 -3.093 -9.049 1.00 0.78 C ATOM 461 O GLU A 31 -9.658 -1.966 -8.634 1.00 0.81 O ATOM 462 CB GLU A 31 -11.163 -4.862 -7.831 1.00 1.02 C ATOM 463 CG GLU A 31 -12.423 -5.716 -7.667 1.00 1.82 C ATOM 464 CD GLU A 31 -12.188 -7.033 -6.933 1.00 2.69 C ATOM 465 OE1 GLU A 31 -13.100 -7.886 -6.956 1.00 3.34 O ATOM 466 OE2 GLU A 31 -11.101 -7.219 -6.340 1.00 3.27 O ATOM 0 H GLU A 31 -11.727 -5.132 -10.251 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.977 -2.934 -8.393 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -10.348 -5.501 -8.170 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.876 -4.469 -6.856 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -13.173 -5.139 -7.126 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -12.836 -5.930 -8.653 1.00 1.82 H new ATOM 473 N LEU A 32 -9.086 -3.868 -9.744 1.00 0.68 N ATOM 474 CA LEU A 32 -7.712 -3.476 -10.057 1.00 0.60 C ATOM 475 C LEU A 32 -7.647 -2.166 -10.831 1.00 0.66 C ATOM 476 O LEU A 32 -6.635 -1.473 -10.767 1.00 0.72 O ATOM 477 CB LEU A 32 -7.007 -4.644 -10.780 1.00 0.54 C ATOM 478 CG LEU A 32 -5.562 -4.435 -11.296 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.643 -3.746 -10.283 1.00 0.49 C ATOM 480 CD2 LEU A 32 -4.963 -5.774 -11.685 1.00 0.44 C ATOM 0 H LEU A 32 -9.340 -4.788 -10.104 1.00 0.68 H new ATOM 0 HA LEU A 32 -7.176 -3.276 -9.129 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -6.995 -5.495 -10.099 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.625 -4.926 -11.632 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.634 -3.772 -12.158 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.648 -3.633 -10.713 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -5.045 -2.764 -10.036 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.581 -4.351 -9.378 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -3.946 -5.626 -12.048 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -4.946 -6.431 -10.816 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.566 -6.228 -12.471 1.00 0.44 H new ATOM 492 N GLY A 33 -8.729 -1.838 -11.544 1.00 0.71 N ATOM 493 CA GLY A 33 -8.795 -0.584 -12.269 1.00 0.80 C ATOM 494 C GLY A 33 -9.231 0.562 -11.388 1.00 0.83 C ATOM 495 O GLY A 33 -8.794 1.699 -11.569 1.00 0.91 O ATOM 0 H GLY A 33 -9.560 -2.424 -11.629 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.817 -0.361 -12.695 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -9.490 -0.684 -13.102 1.00 0.80 H new ATOM 499 N THR A 34 -10.105 0.251 -10.435 1.00 0.80 N ATOM 500 CA THR A 34 -10.576 1.230 -9.447 1.00 0.84 C ATOM 501 C THR A 34 -9.413 1.637 -8.535 1.00 0.83 C ATOM 502 O THR A 34 -9.436 2.696 -7.901 1.00 0.88 O ATOM 503 CB THR A 34 -11.674 0.616 -8.565 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.652 -0.037 -9.379 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.371 1.664 -7.694 1.00 0.96 C ATOM 0 H THR A 34 -10.507 -0.679 -10.322 1.00 0.80 H new ATOM 0 HA THR A 34 -10.970 2.094 -9.982 1.00 0.84 H new ATOM 0 HB THR A 34 -11.187 -0.104 -7.907 1.00 0.87 H new ATOM 0 HG1 THR A 34 -12.334 -0.933 -9.616 1.00 0.89 H new ATOM 0 HG21 THR A 34 -13.139 1.182 -7.089 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.639 2.139 -7.041 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.832 2.418 -8.331 1.00 0.96 H new ATOM 513 N VAL A 35 -8.404 0.760 -8.496 1.00 0.77 N ATOM 514 CA VAL A 35 -7.203 0.954 -7.666 1.00 0.79 C ATOM 515 C VAL A 35 -6.223 1.912 -8.352 1.00 0.80 C ATOM 516 O VAL A 35 -5.924 3.002 -7.858 1.00 0.86 O ATOM 517 CB VAL A 35 -6.499 -0.416 -7.445 1.00 0.76 C ATOM 518 CG1 VAL A 35 -5.196 -0.268 -6.655 1.00 0.80 C ATOM 519 CG2 VAL A 35 -7.426 -1.394 -6.729 1.00 0.79 C ATOM 0 H VAL A 35 -8.394 -0.105 -9.037 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.507 1.380 -6.710 1.00 0.79 H new ATOM 0 HB VAL A 35 -6.255 -0.809 -8.432 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.737 -1.248 -6.523 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.512 0.383 -7.200 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.410 0.167 -5.679 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.912 -2.344 -6.586 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.708 -0.984 -5.759 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -8.321 -1.553 -7.330 1.00 0.79 H new ATOM 529 N MET A 36 -5.748 1.448 -9.499 1.00 0.77 N ATOM 530 CA MET A 36 -4.792 2.161 -10.374 1.00 0.81 C ATOM 531 C MET A 36 -5.213 3.583 -10.717 1.00 0.80 C ATOM 532 O MET A 36 -4.407 4.512 -10.680 1.00 0.87 O ATOM 533 CB MET A 36 -4.689 1.435 -11.715 1.00 0.87 C ATOM 534 CG MET A 36 -5.990 0.831 -12.145 1.00 0.86 C ATOM 535 SD MET A 36 -5.922 0.068 -13.780 1.00 1.10 S ATOM 536 CE MET A 36 -6.057 1.518 -14.831 1.00 1.82 C ATOM 0 H MET A 36 -6.018 0.537 -9.870 1.00 0.77 H new ATOM 0 HA MET A 36 -3.857 2.186 -9.815 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.348 2.135 -12.478 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.935 0.651 -11.642 1.00 0.87 H new ATOM 0 HG2 MET A 36 -6.293 0.081 -11.415 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.758 1.604 -12.145 1.00 0.86 H new ATOM 0 HE1 MET A 36 -6.642 1.272 -15.717 1.00 1.82 H new ATOM 0 HE2 MET A 36 -6.550 2.321 -14.282 1.00 1.82 H new ATOM 0 HE3 MET A 36 -5.061 1.843 -15.133 1.00 1.82 H new ATOM 546 N ARG A 37 -6.488 3.725 -11.071 1.00 0.79 N ATOM 547 CA ARG A 37 -7.025 4.988 -11.532 1.00 0.85 C ATOM 548 C ARG A 37 -6.840 6.143 -10.543 1.00 0.94 C ATOM 549 O ARG A 37 -6.701 7.303 -10.941 1.00 1.01 O ATOM 550 CB ARG A 37 -8.507 4.850 -11.860 1.00 0.96 C ATOM 551 CG ARG A 37 -8.783 4.204 -13.207 1.00 1.49 C ATOM 552 CD ARG A 37 -10.260 4.261 -13.563 1.00 1.68 C ATOM 553 NE ARG A 37 -10.539 3.621 -14.853 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.760 3.488 -15.393 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.844 3.946 -14.768 1.00 2.47 N ATOM 556 NH2 ARG A 37 -11.894 2.891 -16.569 1.00 3.94 N ATOM 0 H ARG A 37 -7.170 2.967 -11.044 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.452 5.237 -12.425 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -8.988 4.260 -11.080 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -8.967 5.838 -11.841 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -8.202 4.709 -13.979 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.453 3.165 -13.188 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.840 3.770 -12.782 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -10.585 5.301 -13.596 1.00 1.68 H new ATOM 0 HE ARG A 37 -9.747 3.250 -15.378 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.754 4.407 -13.863 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.764 3.835 -15.195 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -11.072 2.536 -17.057 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -12.819 2.786 -16.985 1.00 3.94 H new ATOM 570 N SER A 38 -6.841 5.794 -9.263 1.00 1.00 N ATOM 571 CA SER A 38 -6.715 6.768 -8.170 1.00 1.16 C ATOM 572 C SER A 38 -5.278 7.219 -7.879 1.00 1.17 C ATOM 573 O SER A 38 -5.085 8.255 -7.235 1.00 1.33 O ATOM 574 CB SER A 38 -7.342 6.201 -6.895 1.00 1.37 C ATOM 575 OG SER A 38 -8.717 5.914 -7.087 1.00 1.82 O ATOM 0 H SER A 38 -6.929 4.829 -8.946 1.00 1.00 H new ATOM 0 HA SER A 38 -7.246 7.658 -8.506 1.00 1.16 H new ATOM 0 HB2 SER A 38 -6.816 5.293 -6.600 1.00 1.37 H new ATOM 0 HB3 SER A 38 -7.227 6.916 -6.080 1.00 1.37 H new ATOM 0 HG SER A 38 -9.220 6.170 -6.286 1.00 1.82 H new ATOM 581 N LEU A 39 -4.279 6.462 -8.341 1.00 1.11 N ATOM 582 CA LEU A 39 -2.890 6.807 -8.096 1.00 1.26 C ATOM 583 C LEU A 39 -2.255 7.624 -9.237 1.00 1.23 C ATOM 584 O LEU A 39 -1.144 8.139 -9.077 1.00 1.39 O ATOM 585 CB LEU A 39 -2.065 5.547 -7.772 1.00 1.42 C ATOM 586 CG LEU A 39 -2.277 4.307 -8.654 1.00 1.43 C ATOM 587 CD1 LEU A 39 -1.578 4.457 -9.993 1.00 1.18 C ATOM 588 CD2 LEU A 39 -1.786 3.061 -7.935 1.00 2.07 C ATOM 0 H LEU A 39 -4.413 5.610 -8.885 1.00 1.11 H new ATOM 0 HA LEU A 39 -2.879 7.462 -7.224 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -1.010 5.816 -7.820 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -2.276 5.265 -6.740 1.00 1.42 H new ATOM 0 HG LEU A 39 -3.345 4.207 -8.845 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -1.747 3.563 -10.594 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -1.976 5.326 -10.516 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -0.508 4.589 -9.832 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -1.942 2.189 -8.570 1.00 2.07 H new ATOM 0 HD22 LEU A 39 -0.724 3.164 -7.714 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -2.340 2.936 -7.005 1.00 2.07 H new ATOM 600 N GLY A 40 -2.958 7.743 -10.375 1.00 1.12 N ATOM 601 CA GLY A 40 -2.442 8.529 -11.495 1.00 1.21 C ATOM 602 C GLY A 40 -1.996 7.711 -12.693 1.00 1.24 C ATOM 603 O GLY A 40 -1.058 8.100 -13.396 1.00 1.48 O ATOM 0 H GLY A 40 -3.868 7.312 -10.538 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -3.214 9.228 -11.817 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -1.599 9.125 -11.145 1.00 1.21 H new ATOM 607 N GLN A 41 -2.663 6.588 -12.919 1.00 1.05 N ATOM 608 CA GLN A 41 -2.354 5.707 -14.051 1.00 1.08 C ATOM 609 C GLN A 41 -3.344 5.943 -15.200 1.00 1.03 C ATOM 610 O GLN A 41 -4.371 6.602 -15.014 1.00 1.04 O ATOM 611 CB GLN A 41 -2.392 4.237 -13.604 1.00 1.08 C ATOM 612 CG GLN A 41 -1.509 3.312 -14.432 1.00 1.30 C ATOM 613 CD GLN A 41 -1.567 1.873 -13.958 1.00 2.18 C ATOM 614 OE1 GLN A 41 -2.401 1.090 -14.415 1.00 2.69 O ATOM 615 NE2 GLN A 41 -0.680 1.517 -13.037 1.00 3.01 N ATOM 0 H GLN A 41 -3.429 6.258 -12.332 1.00 1.05 H new ATOM 0 HA GLN A 41 -1.351 5.938 -14.409 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -2.084 4.178 -12.560 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -3.421 3.880 -13.653 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -1.818 3.360 -15.476 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -0.478 3.664 -14.388 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -0.007 2.199 -12.687 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -0.671 0.562 -12.680 1.00 3.01 H new ATOM 624 N ASN A 42 -3.024 5.395 -16.389 1.00 1.26 N ATOM 625 CA ASN A 42 -3.882 5.525 -17.577 1.00 1.34 C ATOM 626 C ASN A 42 -5.203 4.750 -17.379 1.00 0.89 C ATOM 627 O ASN A 42 -5.192 3.513 -17.371 1.00 1.50 O ATOM 628 CB ASN A 42 -3.147 5.016 -18.826 1.00 2.22 C ATOM 629 CG ASN A 42 -2.012 5.930 -19.248 1.00 3.03 C ATOM 630 OD1 ASN A 42 -0.873 5.769 -18.809 1.00 3.77 O ATOM 631 ND2 ASN A 42 -2.318 6.897 -20.106 1.00 3.37 N ATOM 0 H ASN A 42 -2.173 4.856 -16.549 1.00 1.26 H new ATOM 0 HA ASN A 42 -4.118 6.580 -17.717 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -2.752 4.019 -18.630 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -3.857 4.921 -19.648 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -1.596 7.542 -20.426 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -3.275 6.994 -20.445 1.00 3.37 H new ATOM 638 N PRO A 43 -6.367 5.456 -17.196 1.00 1.06 N ATOM 639 CA PRO A 43 -7.668 4.791 -16.973 1.00 1.66 C ATOM 640 C PRO A 43 -8.184 3.996 -18.183 1.00 1.29 C ATOM 641 O PRO A 43 -8.927 4.519 -19.024 1.00 1.26 O ATOM 642 CB PRO A 43 -8.628 5.952 -16.643 1.00 2.73 C ATOM 643 CG PRO A 43 -7.760 7.126 -16.350 1.00 2.76 C ATOM 644 CD PRO A 43 -6.517 6.931 -17.165 1.00 1.85 C ATOM 0 HA PRO A 43 -7.583 4.044 -16.184 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -9.295 6.158 -17.480 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -9.257 5.708 -15.787 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -8.260 8.057 -16.616 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -7.525 7.183 -15.287 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -6.622 7.347 -18.167 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -5.654 7.415 -16.707 1.00 1.85 H new ATOM 652 N THR A 44 -7.753 2.733 -18.271 1.00 1.26 N ATOM 653 CA THR A 44 -8.197 1.838 -19.325 1.00 1.00 C ATOM 654 C THR A 44 -9.142 0.782 -18.770 1.00 0.85 C ATOM 655 O THR A 44 -9.046 0.399 -17.599 1.00 0.89 O ATOM 656 CB THR A 44 -7.023 1.141 -20.032 1.00 1.17 C ATOM 657 OG1 THR A 44 -5.784 1.428 -19.369 1.00 1.51 O ATOM 658 CG2 THR A 44 -6.936 1.602 -21.458 1.00 1.33 C ATOM 0 H THR A 44 -7.093 2.313 -17.616 1.00 1.26 H new ATOM 0 HA THR A 44 -8.718 2.455 -20.057 1.00 1.00 H new ATOM 0 HB THR A 44 -7.200 0.066 -20.001 1.00 1.17 H new ATOM 0 HG1 THR A 44 -5.038 1.097 -19.912 1.00 1.51 H new ATOM 0 HG21 THR A 44 -6.102 1.103 -21.951 1.00 1.33 H new ATOM 0 HG22 THR A 44 -7.863 1.357 -21.977 1.00 1.33 H new ATOM 0 HG23 THR A 44 -6.780 2.680 -21.483 1.00 1.33 H new ATOM 666 N GLU A 45 -10.051 0.321 -19.628 1.00 0.76 N ATOM 667 CA GLU A 45 -11.050 -0.690 -19.263 1.00 0.72 C ATOM 668 C GLU A 45 -10.455 -2.083 -19.351 1.00 0.71 C ATOM 669 O GLU A 45 -10.910 -2.998 -18.678 1.00 0.70 O ATOM 670 CB GLU A 45 -12.291 -0.585 -20.155 1.00 0.79 C ATOM 671 CG GLU A 45 -13.154 0.637 -19.870 1.00 0.85 C ATOM 672 CD GLU A 45 -14.380 0.706 -20.759 1.00 1.41 C ATOM 673 OE1 GLU A 45 -14.299 1.338 -21.833 1.00 2.03 O ATOM 674 OE2 GLU A 45 -15.420 0.127 -20.382 1.00 1.97 O ATOM 0 H GLU A 45 -10.118 0.636 -20.596 1.00 0.76 H new ATOM 0 HA GLU A 45 -11.354 -0.504 -18.233 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -11.976 -0.560 -21.198 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -12.896 -1.483 -20.027 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.467 0.620 -18.826 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -12.558 1.539 -20.009 1.00 0.85 H new ATOM 681 N ALA A 46 -9.493 -2.245 -20.257 1.00 0.75 N ATOM 682 CA ALA A 46 -8.787 -3.495 -20.417 1.00 0.78 C ATOM 683 C ALA A 46 -7.577 -3.556 -19.500 1.00 0.76 C ATOM 684 O ALA A 46 -7.083 -4.638 -19.227 1.00 0.77 O ATOM 685 CB ALA A 46 -8.393 -3.718 -21.868 1.00 0.90 C ATOM 0 H ALA A 46 -9.188 -1.510 -20.895 1.00 0.75 H new ATOM 0 HA ALA A 46 -9.461 -4.302 -20.131 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -7.863 -4.666 -21.960 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -9.289 -3.741 -22.489 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -7.744 -2.906 -22.198 1.00 0.90 H new ATOM 691 N GLU A 47 -7.107 -2.383 -19.023 1.00 0.77 N ATOM 692 CA GLU A 47 -5.942 -2.316 -18.102 1.00 0.81 C ATOM 693 C GLU A 47 -6.100 -3.257 -16.913 1.00 0.68 C ATOM 694 O GLU A 47 -5.138 -3.885 -16.493 1.00 0.62 O ATOM 695 CB GLU A 47 -5.749 -0.883 -17.588 1.00 0.95 C ATOM 696 CG GLU A 47 -4.304 -0.469 -17.319 1.00 1.30 C ATOM 697 CD GLU A 47 -3.453 -0.374 -18.577 1.00 1.55 C ATOM 698 OE1 GLU A 47 -3.035 -1.432 -19.092 1.00 2.16 O ATOM 699 OE2 GLU A 47 -3.204 0.758 -19.042 1.00 2.13 O ATOM 0 H GLU A 47 -7.509 -1.475 -19.255 1.00 0.77 H new ATOM 0 HA GLU A 47 -5.067 -2.628 -18.671 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.176 -0.194 -18.317 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -6.319 -0.766 -16.666 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -4.300 0.497 -16.814 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -3.850 -1.188 -16.637 1.00 1.30 H new ATOM 706 N LEU A 48 -7.319 -3.348 -16.393 1.00 0.66 N ATOM 707 CA LEU A 48 -7.630 -4.219 -15.272 1.00 0.59 C ATOM 708 C LEU A 48 -7.778 -5.677 -15.735 1.00 0.55 C ATOM 709 O LEU A 48 -7.320 -6.587 -15.046 1.00 0.56 O ATOM 710 CB LEU A 48 -8.867 -3.694 -14.523 1.00 0.61 C ATOM 711 CG LEU A 48 -9.916 -2.933 -15.346 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.655 -3.867 -16.261 1.00 0.87 C ATOM 713 CD2 LEU A 48 -10.909 -2.206 -14.455 1.00 1.24 C ATOM 0 H LEU A 48 -8.119 -2.818 -16.739 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.801 -4.209 -14.564 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -9.360 -4.543 -14.049 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -8.524 -3.038 -13.723 1.00 0.61 H new ATOM 0 HG LEU A 48 -9.381 -2.193 -15.941 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -11.393 -3.306 -16.834 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -9.950 -4.342 -16.943 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -11.159 -4.632 -15.670 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -11.635 -1.679 -15.074 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -11.426 -2.927 -13.823 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -10.379 -1.489 -13.828 1.00 1.24 H new ATOM 725 N GLN A 49 -8.414 -5.894 -16.905 1.00 0.57 N ATOM 726 CA GLN A 49 -8.554 -7.241 -17.487 1.00 0.60 C ATOM 727 C GLN A 49 -7.209 -7.727 -18.050 1.00 0.59 C ATOM 728 O GLN A 49 -6.976 -8.932 -18.173 1.00 0.61 O ATOM 729 CB GLN A 49 -9.610 -7.251 -18.601 1.00 0.67 C ATOM 730 CG GLN A 49 -11.040 -7.059 -18.114 1.00 0.80 C ATOM 731 CD GLN A 49 -12.017 -6.838 -19.253 1.00 1.03 C ATOM 732 OE1 GLN A 49 -12.591 -7.787 -19.787 1.00 1.67 O ATOM 733 NE2 GLN A 49 -12.209 -5.580 -19.632 1.00 1.52 N ATOM 0 H GLN A 49 -8.838 -5.153 -17.463 1.00 0.57 H new ATOM 0 HA GLN A 49 -8.875 -7.915 -16.693 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -9.374 -6.463 -19.316 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -9.546 -8.198 -19.137 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -11.346 -7.935 -17.542 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -11.078 -6.206 -17.436 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -11.712 -4.824 -19.161 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -12.854 -5.370 -20.394 1.00 1.52 H new ATOM 742 N ASP A 50 -6.335 -6.761 -18.389 1.00 0.58 N ATOM 743 CA ASP A 50 -4.999 -7.041 -18.917 1.00 0.57 C ATOM 744 C ASP A 50 -4.002 -7.217 -17.774 1.00 0.49 C ATOM 745 O ASP A 50 -3.160 -8.117 -17.820 1.00 0.48 O ATOM 746 CB ASP A 50 -4.528 -5.927 -19.857 1.00 0.63 C ATOM 747 CG ASP A 50 -5.107 -6.066 -21.251 1.00 1.03 C ATOM 748 OD1 ASP A 50 -4.328 -6.314 -22.195 1.00 1.83 O ATOM 749 OD2 ASP A 50 -6.339 -5.934 -21.399 1.00 1.48 O ATOM 0 H ASP A 50 -6.541 -5.766 -18.302 1.00 0.58 H new ATOM 0 HA ASP A 50 -5.054 -7.967 -19.489 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -4.813 -4.960 -19.442 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -3.440 -5.940 -19.915 1.00 0.63 H new ATOM 754 N MET A 51 -4.090 -6.341 -16.748 1.00 0.45 N ATOM 755 CA MET A 51 -3.198 -6.441 -15.575 1.00 0.41 C ATOM 756 C MET A 51 -3.359 -7.783 -14.837 1.00 0.39 C ATOM 757 O MET A 51 -2.386 -8.281 -14.263 1.00 0.38 O ATOM 758 CB MET A 51 -3.381 -5.267 -14.598 1.00 0.41 C ATOM 759 CG MET A 51 -2.608 -4.018 -14.995 1.00 0.48 C ATOM 760 SD MET A 51 -0.822 -4.269 -14.994 1.00 1.31 S ATOM 761 CE MET A 51 -0.256 -2.672 -15.574 1.00 1.31 C ATOM 0 H MET A 51 -4.757 -5.571 -16.709 1.00 0.45 H new ATOM 0 HA MET A 51 -2.183 -6.391 -15.968 1.00 0.41 H new ATOM 0 HB2 MET A 51 -4.441 -5.022 -14.532 1.00 0.41 H new ATOM 0 HB3 MET A 51 -3.063 -5.580 -13.603 1.00 0.41 H new ATOM 0 HG2 MET A 51 -2.925 -3.701 -15.989 1.00 0.48 H new ATOM 0 HG3 MET A 51 -2.857 -3.209 -14.308 1.00 0.48 H new ATOM 0 HE1 MET A 51 0.688 -2.792 -16.106 1.00 1.31 H new ATOM 0 HE2 MET A 51 -1.000 -2.245 -16.247 1.00 1.31 H new ATOM 0 HE3 MET A 51 -0.111 -2.006 -14.723 1.00 1.31 H new ATOM 771 N ILE A 52 -4.580 -8.369 -14.848 1.00 0.41 N ATOM 772 CA ILE A 52 -4.798 -9.676 -14.200 1.00 0.42 C ATOM 773 C ILE A 52 -4.457 -10.836 -15.156 1.00 0.46 C ATOM 774 O ILE A 52 -4.319 -11.979 -14.725 1.00 0.49 O ATOM 775 CB ILE A 52 -6.221 -9.907 -13.629 1.00 0.45 C ATOM 776 CG1 ILE A 52 -6.759 -8.641 -12.957 1.00 0.45 C ATOM 777 CG2 ILE A 52 -6.195 -11.063 -12.647 1.00 0.47 C ATOM 778 CD1 ILE A 52 -7.403 -8.795 -11.567 1.00 0.48 C ATOM 0 H ILE A 52 -5.408 -7.966 -15.288 1.00 0.41 H new ATOM 0 HA ILE A 52 -4.120 -9.657 -13.346 1.00 0.42 H new ATOM 0 HB ILE A 52 -6.891 -10.153 -14.453 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -5.937 -7.930 -12.870 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -7.498 -8.194 -13.623 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -7.196 -11.223 -12.247 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -5.859 -11.966 -13.157 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -5.511 -10.831 -11.831 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -7.739 -7.821 -11.212 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -8.256 -9.471 -11.634 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -6.671 -9.203 -10.870 1.00 0.48 H new ATOM 790 N ASN A 53 -4.317 -10.524 -16.449 1.00 0.49 N ATOM 791 CA ASN A 53 -4.026 -11.502 -17.487 1.00 0.56 C ATOM 792 C ASN A 53 -2.615 -12.065 -17.360 1.00 0.58 C ATOM 793 O ASN A 53 -2.415 -13.281 -17.366 1.00 0.65 O ATOM 794 CB ASN A 53 -4.156 -10.789 -18.810 1.00 0.58 C ATOM 795 CG ASN A 53 -5.068 -11.498 -19.791 1.00 0.65 C ATOM 796 OD1 ASN A 53 -4.498 -12.392 -20.590 1.00 1.27 O flip ATOM 797 ND2 ASN A 53 -6.273 -11.246 -19.830 1.00 1.35 N flip ATOM 0 H ASN A 53 -4.405 -9.571 -16.802 1.00 0.49 H new ATOM 0 HA ASN A 53 -4.717 -12.340 -17.400 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -4.536 -9.782 -18.636 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -3.167 -10.684 -19.256 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -6.669 -10.551 -19.197 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -6.874 -11.732 -20.495 1.00 1.35 H new ATOM 804 N GLU A 54 -1.648 -11.151 -17.267 1.00 0.55 N ATOM 805 CA GLU A 54 -0.228 -11.521 -17.136 1.00 0.59 C ATOM 806 C GLU A 54 0.130 -11.978 -15.729 1.00 0.57 C ATOM 807 O GLU A 54 1.073 -12.754 -15.547 1.00 0.62 O ATOM 808 CB GLU A 54 0.685 -10.371 -17.572 1.00 0.61 C ATOM 809 CG GLU A 54 0.706 -10.137 -19.076 1.00 0.79 C ATOM 810 CD GLU A 54 1.616 -8.992 -19.475 1.00 1.15 C ATOM 811 OE1 GLU A 54 2.811 -9.246 -19.733 1.00 1.78 O ATOM 812 OE2 GLU A 54 1.133 -7.841 -19.531 1.00 1.82 O ATOM 0 H GLU A 54 -1.818 -10.145 -17.280 1.00 0.55 H new ATOM 0 HA GLU A 54 -0.068 -12.369 -17.802 1.00 0.59 H new ATOM 0 HB2 GLU A 54 0.362 -9.456 -17.076 1.00 0.61 H new ATOM 0 HB3 GLU A 54 1.700 -10.577 -17.232 1.00 0.61 H new ATOM 0 HG2 GLU A 54 1.033 -11.048 -19.577 1.00 0.79 H new ATOM 0 HG3 GLU A 54 -0.307 -9.929 -19.422 1.00 0.79 H new ATOM 819 N VAL A 55 -0.619 -11.496 -14.752 1.00 0.50 N ATOM 820 CA VAL A 55 -0.415 -11.891 -13.363 1.00 0.48 C ATOM 821 C VAL A 55 -1.608 -12.775 -12.970 1.00 0.48 C ATOM 822 O VAL A 55 -2.068 -12.783 -11.824 1.00 0.45 O ATOM 823 CB VAL A 55 -0.266 -10.663 -12.407 1.00 0.44 C ATOM 824 CG1 VAL A 55 0.476 -11.059 -11.133 1.00 0.47 C ATOM 825 CG2 VAL A 55 0.464 -9.505 -13.085 1.00 0.48 C ATOM 0 H VAL A 55 -1.377 -10.828 -14.893 1.00 0.50 H new ATOM 0 HA VAL A 55 0.522 -12.439 -13.266 1.00 0.48 H new ATOM 0 HB VAL A 55 -1.272 -10.331 -12.151 1.00 0.44 H new ATOM 0 HG11 VAL A 55 0.569 -10.190 -10.481 1.00 0.47 H new ATOM 0 HG12 VAL A 55 -0.080 -11.842 -10.617 1.00 0.47 H new ATOM 0 HG13 VAL A 55 1.469 -11.428 -11.390 1.00 0.47 H new ATOM 0 HG21 VAL A 55 0.548 -8.670 -12.389 1.00 0.48 H new ATOM 0 HG22 VAL A 55 1.461 -9.829 -13.385 1.00 0.48 H new ATOM 0 HG23 VAL A 55 -0.095 -9.188 -13.966 1.00 0.48 H new ATOM 835 N ASP A 56 -2.066 -13.554 -13.969 1.00 0.55 N ATOM 836 CA ASP A 56 -3.235 -14.448 -13.847 1.00 0.60 C ATOM 837 C ASP A 56 -3.110 -15.552 -12.785 1.00 0.61 C ATOM 838 O ASP A 56 -2.277 -16.458 -12.899 1.00 0.65 O ATOM 839 CB ASP A 56 -3.567 -15.075 -15.218 1.00 0.75 C ATOM 840 CG ASP A 56 -2.414 -15.864 -15.832 1.00 0.98 C ATOM 841 OD1 ASP A 56 -1.337 -15.271 -16.052 1.00 1.58 O ATOM 842 OD2 ASP A 56 -2.594 -17.073 -16.089 1.00 1.87 O ATOM 0 H ASP A 56 -1.632 -13.581 -14.891 1.00 0.55 H new ATOM 0 HA ASP A 56 -4.047 -13.808 -13.502 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -4.427 -15.735 -15.106 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -3.860 -14.283 -15.907 1.00 0.75 H new ATOM 847 N ALA A 57 -3.949 -15.439 -11.744 1.00 0.59 N ATOM 848 CA ALA A 57 -4.027 -16.441 -10.676 1.00 0.62 C ATOM 849 C ALA A 57 -5.031 -17.513 -11.072 1.00 0.68 C ATOM 850 O ALA A 57 -4.762 -18.716 -10.997 1.00 0.74 O ATOM 851 CB ALA A 57 -4.448 -15.797 -9.362 1.00 0.60 C ATOM 0 H ALA A 57 -4.588 -14.654 -11.621 1.00 0.59 H new ATOM 0 HA ALA A 57 -3.043 -16.888 -10.536 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -4.499 -16.558 -8.584 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -3.719 -15.038 -9.079 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -5.427 -15.333 -9.481 1.00 0.60 H new ATOM 857 N ASP A 58 -6.190 -17.024 -11.492 1.00 0.68 N ATOM 858 CA ASP A 58 -7.295 -17.846 -11.957 1.00 0.75 C ATOM 859 C ASP A 58 -7.543 -17.561 -13.448 1.00 0.75 C ATOM 860 O ASP A 58 -8.118 -18.383 -14.166 1.00 0.83 O ATOM 861 CB ASP A 58 -8.521 -17.554 -11.074 1.00 0.77 C ATOM 862 CG ASP A 58 -9.833 -18.107 -11.614 1.00 0.90 C ATOM 863 OD1 ASP A 58 -10.730 -17.300 -11.935 1.00 1.36 O ATOM 864 OD2 ASP A 58 -9.959 -19.346 -11.715 1.00 1.62 O ATOM 0 H ASP A 58 -6.391 -16.024 -11.519 1.00 0.68 H new ATOM 0 HA ASP A 58 -7.071 -18.909 -11.871 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -8.346 -17.971 -10.082 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -8.618 -16.475 -10.954 1.00 0.77 H new ATOM 869 N GLY A 59 -7.093 -16.374 -13.877 1.00 0.68 N ATOM 870 CA GLY A 59 -7.171 -15.939 -15.265 1.00 0.68 C ATOM 871 C GLY A 59 -8.550 -15.609 -15.762 1.00 0.72 C ATOM 872 O GLY A 59 -8.751 -15.445 -16.969 1.00 0.75 O ATOM 0 H GLY A 59 -6.662 -15.687 -13.259 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -6.539 -15.059 -15.388 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -6.753 -16.723 -15.897 1.00 0.68 H new ATOM 876 N ASN A 60 -9.498 -15.512 -14.841 1.00 0.73 N ATOM 877 CA ASN A 60 -10.837 -15.109 -15.182 1.00 0.78 C ATOM 878 C ASN A 60 -10.933 -13.624 -14.885 1.00 0.72 C ATOM 879 O ASN A 60 -12.017 -13.035 -14.785 1.00 0.77 O ATOM 880 CB ASN A 60 -11.888 -15.919 -14.409 1.00 0.86 C ATOM 881 CG ASN A 60 -11.969 -17.362 -14.874 1.00 1.28 C ATOM 882 OD1 ASN A 60 -11.267 -18.232 -14.359 1.00 1.86 O ATOM 883 ND2 ASN A 60 -12.829 -17.621 -15.852 1.00 2.03 N ATOM 0 H ASN A 60 -9.355 -15.710 -13.851 1.00 0.73 H new ATOM 0 HA ASN A 60 -11.042 -15.302 -16.235 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -11.649 -15.896 -13.346 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -12.864 -15.448 -14.527 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -12.928 -18.573 -16.206 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -13.391 -16.868 -16.250 1.00 2.03 H new ATOM 890 N GLY A 61 -9.731 -13.040 -14.776 1.00 0.64 N ATOM 891 CA GLY A 61 -9.581 -11.641 -14.463 1.00 0.59 C ATOM 892 C GLY A 61 -9.539 -11.428 -12.970 1.00 0.56 C ATOM 893 O GLY A 61 -9.896 -10.368 -12.453 1.00 0.56 O ATOM 0 H GLY A 61 -8.849 -13.535 -14.905 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -8.666 -11.259 -14.915 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -10.409 -11.077 -14.892 1.00 0.59 H new ATOM 897 N THR A 62 -9.099 -12.474 -12.294 1.00 0.56 N ATOM 898 CA THR A 62 -9.015 -12.495 -10.848 1.00 0.54 C ATOM 899 C THR A 62 -7.646 -12.887 -10.352 1.00 0.50 C ATOM 900 O THR A 62 -7.008 -13.797 -10.890 1.00 0.51 O ATOM 901 CB THR A 62 -10.004 -13.468 -10.206 1.00 0.59 C ATOM 902 OG1 THR A 62 -10.550 -14.372 -11.178 1.00 0.65 O ATOM 903 CG2 THR A 62 -11.120 -12.721 -9.497 1.00 0.62 C ATOM 0 H THR A 62 -8.788 -13.338 -12.738 1.00 0.56 H new ATOM 0 HA THR A 62 -9.251 -11.471 -10.558 1.00 0.54 H new ATOM 0 HB THR A 62 -9.455 -14.052 -9.467 1.00 0.59 H new ATOM 0 HG1 THR A 62 -11.178 -14.984 -10.740 1.00 0.65 H new ATOM 0 HG21 THR A 62 -11.810 -13.437 -9.049 1.00 0.62 H new ATOM 0 HG22 THR A 62 -10.696 -12.088 -8.717 1.00 0.62 H new ATOM 0 HG23 THR A 62 -11.656 -12.101 -10.215 1.00 0.62 H new ATOM 911 N ILE A 63 -7.212 -12.179 -9.320 1.00 0.47 N ATOM 912 CA ILE A 63 -5.952 -12.429 -8.689 1.00 0.45 C ATOM 913 C ILE A 63 -6.183 -12.740 -7.209 1.00 0.46 C ATOM 914 O ILE A 63 -7.026 -12.133 -6.545 1.00 0.48 O ATOM 915 CB ILE A 63 -5.004 -11.230 -8.879 1.00 0.41 C ATOM 916 CG1 ILE A 63 -3.606 -11.669 -9.314 1.00 0.40 C ATOM 917 CG2 ILE A 63 -4.935 -10.411 -7.616 1.00 0.43 C ATOM 918 CD1 ILE A 63 -2.804 -10.546 -9.940 1.00 0.42 C ATOM 0 H ILE A 63 -7.739 -11.411 -8.903 1.00 0.47 H new ATOM 0 HA ILE A 63 -5.474 -13.292 -9.153 1.00 0.45 H new ATOM 0 HB ILE A 63 -5.412 -10.613 -9.679 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -3.067 -12.056 -8.449 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -3.693 -12.488 -10.028 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -4.261 -9.567 -7.766 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -5.930 -10.041 -7.367 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -4.564 -11.031 -6.800 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -1.821 -10.918 -10.229 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -3.325 -10.175 -10.823 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -2.688 -9.736 -9.220 1.00 0.42 H new ATOM 930 N ASP A 64 -5.443 -13.705 -6.742 1.00 0.48 N ATOM 931 CA ASP A 64 -5.498 -14.173 -5.364 1.00 0.51 C ATOM 932 C ASP A 64 -4.353 -13.563 -4.540 1.00 0.54 C ATOM 933 O ASP A 64 -3.678 -12.641 -5.006 1.00 0.54 O ATOM 934 CB ASP A 64 -5.429 -15.700 -5.369 1.00 0.57 C ATOM 935 CG ASP A 64 -6.775 -16.341 -5.646 1.00 0.65 C ATOM 936 OD1 ASP A 64 -7.099 -16.552 -6.833 1.00 1.25 O ATOM 937 OD2 ASP A 64 -7.505 -16.633 -4.675 1.00 1.33 O ATOM 0 H ASP A 64 -4.764 -14.208 -7.314 1.00 0.48 H new ATOM 0 HA ASP A 64 -6.431 -13.857 -4.898 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -4.713 -16.026 -6.123 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -5.056 -16.047 -4.405 1.00 0.57 H new ATOM 942 N PHE A 65 -4.135 -14.082 -3.319 1.00 0.62 N ATOM 943 CA PHE A 65 -3.077 -13.586 -2.423 1.00 0.73 C ATOM 944 C PHE A 65 -1.637 -13.956 -2.886 1.00 0.78 C ATOM 945 O PHE A 65 -0.725 -13.156 -2.660 1.00 0.86 O ATOM 946 CB PHE A 65 -3.317 -14.056 -0.971 1.00 0.82 C ATOM 947 CG PHE A 65 -3.540 -15.540 -0.799 1.00 0.82 C ATOM 948 CD1 PHE A 65 -4.797 -16.093 -0.990 1.00 1.39 C ATOM 949 CD2 PHE A 65 -2.491 -16.374 -0.445 1.00 1.51 C ATOM 950 CE1 PHE A 65 -5.003 -17.451 -0.831 1.00 1.43 C ATOM 951 CE2 PHE A 65 -2.692 -17.732 -0.284 1.00 1.52 C ATOM 952 CZ PHE A 65 -3.949 -18.271 -0.478 1.00 0.90 C ATOM 0 H PHE A 65 -4.682 -14.850 -2.929 1.00 0.62 H new ATOM 0 HA PHE A 65 -3.140 -12.499 -2.465 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -2.460 -13.762 -0.366 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -4.184 -13.527 -0.574 1.00 0.82 H new ATOM 0 HD1 PHE A 65 -5.624 -15.456 -1.266 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -1.506 -15.958 -0.293 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -5.987 -17.870 -0.983 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -1.867 -18.371 -0.007 1.00 1.52 H new ATOM 0 HZ PHE A 65 -4.107 -19.332 -0.354 1.00 0.90 H new ATOM 962 N PRO A 66 -1.383 -15.150 -3.534 1.00 0.79 N ATOM 963 CA PRO A 66 -0.024 -15.531 -3.984 1.00 0.89 C ATOM 964 C PRO A 66 0.474 -14.730 -5.195 1.00 0.79 C ATOM 965 O PRO A 66 1.680 -14.517 -5.339 1.00 0.82 O ATOM 966 CB PRO A 66 -0.157 -17.018 -4.360 1.00 0.98 C ATOM 967 CG PRO A 66 -1.485 -17.451 -3.841 1.00 0.91 C ATOM 968 CD PRO A 66 -2.345 -16.226 -3.861 1.00 0.75 C ATOM 0 HA PRO A 66 0.706 -15.330 -3.200 1.00 0.89 H new ATOM 0 HB2 PRO A 66 -0.095 -17.155 -5.440 1.00 0.98 H new ATOM 0 HB3 PRO A 66 0.647 -17.607 -3.917 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -1.911 -18.239 -4.463 1.00 0.91 H new ATOM 0 HG3 PRO A 66 -1.399 -17.853 -2.831 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -2.809 -16.072 -4.835 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -3.151 -16.285 -3.130 1.00 0.75 H new ATOM 976 N GLU A 67 -0.455 -14.304 -6.065 1.00 0.69 N ATOM 977 CA GLU A 67 -0.112 -13.537 -7.258 1.00 0.63 C ATOM 978 C GLU A 67 -0.080 -12.026 -6.994 1.00 0.62 C ATOM 979 O GLU A 67 0.868 -11.352 -7.404 1.00 0.66 O ATOM 980 CB GLU A 67 -1.064 -13.868 -8.397 1.00 0.61 C ATOM 981 CG GLU A 67 -0.662 -15.097 -9.206 1.00 0.70 C ATOM 982 CD GLU A 67 0.486 -14.831 -10.167 1.00 1.12 C ATOM 983 OE1 GLU A 67 1.654 -14.932 -9.738 1.00 1.71 O ATOM 984 OE2 GLU A 67 0.213 -14.525 -11.347 1.00 1.94 O ATOM 0 H GLU A 67 -1.453 -14.483 -5.957 1.00 0.69 H new ATOM 0 HA GLU A 67 0.898 -13.827 -7.547 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -2.062 -14.026 -7.988 1.00 0.61 H new ATOM 0 HB3 GLU A 67 -1.126 -13.010 -9.066 1.00 0.61 H new ATOM 0 HG2 GLU A 67 -0.377 -15.897 -8.523 1.00 0.70 H new ATOM 0 HG3 GLU A 67 -1.525 -15.451 -9.770 1.00 0.70 H new ATOM 991 N PHE A 68 -1.139 -11.506 -6.333 1.00 0.63 N ATOM 992 CA PHE A 68 -1.272 -10.079 -5.967 1.00 0.72 C ATOM 993 C PHE A 68 0.055 -9.407 -5.572 1.00 0.79 C ATOM 994 O PHE A 68 0.377 -8.331 -6.080 1.00 0.87 O ATOM 995 CB PHE A 68 -2.298 -9.960 -4.821 1.00 0.88 C ATOM 996 CG PHE A 68 -2.712 -8.555 -4.466 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.031 -7.848 -3.488 1.00 1.54 C ATOM 998 CD2 PHE A 68 -3.785 -7.950 -5.100 1.00 1.84 C ATOM 999 CE1 PHE A 68 -2.411 -6.565 -3.150 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -4.168 -6.667 -4.767 1.00 2.44 C ATOM 1001 CZ PHE A 68 -3.480 -5.974 -3.790 1.00 2.37 C ATOM 0 H PHE A 68 -1.934 -12.072 -6.036 1.00 0.63 H new ATOM 0 HA PHE A 68 -1.611 -9.546 -6.855 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -3.189 -10.525 -5.094 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -1.881 -10.433 -3.932 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -1.193 -8.306 -2.984 1.00 1.54 H new ATOM 0 HD2 PHE A 68 -4.327 -8.488 -5.863 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -1.872 -6.025 -2.386 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -5.005 -6.205 -5.270 1.00 2.44 H new ATOM 0 HZ PHE A 68 -3.779 -4.970 -3.528 1.00 2.37 H new ATOM 1011 N LEU A 69 0.810 -10.049 -4.687 1.00 0.81 N ATOM 1012 CA LEU A 69 2.081 -9.496 -4.206 1.00 0.89 C ATOM 1013 C LEU A 69 3.283 -9.835 -5.066 1.00 0.84 C ATOM 1014 O LEU A 69 4.336 -9.231 -4.889 1.00 0.89 O ATOM 1015 CB LEU A 69 2.393 -9.936 -2.792 1.00 0.99 C ATOM 1016 CG LEU A 69 1.826 -11.298 -2.401 1.00 0.97 C ATOM 1017 CD1 LEU A 69 2.399 -12.412 -3.269 1.00 0.92 C ATOM 1018 CD2 LEU A 69 2.114 -11.578 -0.947 1.00 1.14 C ATOM 0 H LEU A 69 0.568 -10.954 -4.285 1.00 0.81 H new ATOM 0 HA LEU A 69 1.921 -8.419 -4.254 1.00 0.89 H new ATOM 0 HB2 LEU A 69 3.475 -9.960 -2.665 1.00 0.99 H new ATOM 0 HB3 LEU A 69 2.007 -9.187 -2.101 1.00 0.99 H new ATOM 0 HG LEU A 69 0.748 -11.270 -2.560 1.00 0.97 H new ATOM 0 HD11 LEU A 69 1.973 -13.367 -2.963 1.00 0.92 H new ATOM 0 HD12 LEU A 69 2.152 -12.223 -4.314 1.00 0.92 H new ATOM 0 HD13 LEU A 69 3.482 -12.443 -3.152 1.00 0.92 H new ATOM 0 HD21 LEU A 69 1.706 -12.552 -0.676 1.00 1.14 H new ATOM 0 HD22 LEU A 69 3.192 -11.578 -0.783 1.00 1.14 H new ATOM 0 HD23 LEU A 69 1.653 -10.807 -0.330 1.00 1.14 H new ATOM 1030 N THR A 70 3.149 -10.831 -5.950 1.00 0.78 N ATOM 1031 CA THR A 70 4.253 -11.261 -6.837 1.00 0.78 C ATOM 1032 C THR A 70 4.955 -10.069 -7.490 1.00 0.80 C ATOM 1033 O THR A 70 6.083 -10.195 -7.966 1.00 0.79 O ATOM 1034 CB THR A 70 3.748 -12.248 -7.924 1.00 0.80 C ATOM 1035 OG1 THR A 70 2.948 -13.269 -7.319 1.00 0.79 O ATOM 1036 CG2 THR A 70 4.901 -12.904 -8.682 1.00 0.88 C ATOM 0 H THR A 70 2.286 -11.360 -6.075 1.00 0.78 H new ATOM 0 HA THR A 70 4.980 -11.777 -6.210 1.00 0.78 H new ATOM 0 HB THR A 70 3.156 -11.672 -8.636 1.00 0.80 H new ATOM 0 HG1 THR A 70 3.114 -13.286 -6.353 1.00 0.79 H new ATOM 0 HG21 THR A 70 4.502 -13.586 -9.432 1.00 0.88 H new ATOM 0 HG22 THR A 70 5.498 -12.135 -9.172 1.00 0.88 H new ATOM 0 HG23 THR A 70 5.527 -13.459 -7.983 1.00 0.88 H new ATOM 1044 N MET A 71 4.268 -8.929 -7.503 1.00 0.87 N ATOM 1045 CA MET A 71 4.817 -7.706 -8.035 1.00 0.96 C ATOM 1046 C MET A 71 5.604 -6.934 -6.981 1.00 0.97 C ATOM 1047 O MET A 71 6.598 -6.300 -7.329 1.00 1.00 O ATOM 1048 CB MET A 71 3.731 -6.842 -8.667 1.00 1.10 C ATOM 1049 CG MET A 71 3.240 -7.378 -10.003 1.00 1.15 C ATOM 1050 SD MET A 71 4.511 -7.345 -11.287 1.00 1.66 S ATOM 1051 CE MET A 71 4.454 -5.629 -11.802 1.00 1.68 C ATOM 0 H MET A 71 3.318 -8.838 -7.143 1.00 0.87 H new ATOM 0 HA MET A 71 5.520 -7.980 -8.822 1.00 0.96 H new ATOM 0 HB2 MET A 71 2.888 -6.770 -7.980 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.115 -5.832 -8.807 1.00 1.10 H new ATOM 0 HG2 MET A 71 2.891 -8.402 -9.871 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.384 -6.789 -10.332 1.00 1.15 H new ATOM 0 HE1 MET A 71 5.288 -5.422 -12.473 1.00 1.68 H new ATOM 0 HE2 MET A 71 3.515 -5.436 -12.321 1.00 1.68 H new ATOM 0 HE3 MET A 71 4.524 -4.984 -10.926 1.00 1.68 H new ATOM 1061 N MET A 72 5.180 -6.982 -5.698 1.00 0.99 N ATOM 1062 CA MET A 72 5.945 -6.312 -4.635 1.00 1.06 C ATOM 1063 C MET A 72 7.017 -7.278 -4.162 1.00 0.94 C ATOM 1064 O MET A 72 8.048 -6.879 -3.612 1.00 0.95 O ATOM 1065 CB MET A 72 5.064 -5.813 -3.469 1.00 1.23 C ATOM 1066 CG MET A 72 4.087 -6.844 -2.894 1.00 1.37 C ATOM 1067 SD MET A 72 3.811 -6.635 -1.122 1.00 2.19 S ATOM 1068 CE MET A 72 5.274 -7.415 -0.440 1.00 3.08 C ATOM 0 H MET A 72 4.337 -7.464 -5.384 1.00 0.99 H new ATOM 0 HA MET A 72 6.398 -5.407 -5.040 1.00 1.06 H new ATOM 0 HB2 MET A 72 5.715 -5.468 -2.666 1.00 1.23 H new ATOM 0 HB3 MET A 72 4.494 -4.949 -3.811 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.134 -6.766 -3.417 1.00 1.37 H new ATOM 0 HG3 MET A 72 4.472 -7.846 -3.081 1.00 1.37 H new ATOM 0 HE1 MET A 72 5.241 -7.362 0.648 1.00 3.08 H new ATOM 0 HE2 MET A 72 5.308 -8.459 -0.751 1.00 3.08 H new ATOM 0 HE3 MET A 72 6.163 -6.899 -0.802 1.00 3.08 H new ATOM 1078 N ALA A 73 6.731 -8.567 -4.395 1.00 0.86 N ATOM 1079 CA ALA A 73 7.664 -9.638 -4.130 1.00 0.79 C ATOM 1080 C ALA A 73 8.681 -9.654 -5.267 1.00 0.71 C ATOM 1081 O ALA A 73 9.757 -10.246 -5.143 1.00 0.68 O ATOM 1082 CB ALA A 73 6.950 -10.976 -4.016 1.00 0.80 C ATOM 0 H ALA A 73 5.838 -8.883 -4.774 1.00 0.86 H new ATOM 0 HA ALA A 73 8.165 -9.472 -3.176 1.00 0.79 H new ATOM 0 HB1 ALA A 73 7.679 -11.762 -3.817 1.00 0.80 H new ATOM 0 HB2 ALA A 73 6.228 -10.935 -3.200 1.00 0.80 H new ATOM 0 HB3 ALA A 73 6.430 -11.192 -4.950 1.00 0.80 H new ATOM 1088 N ARG A 74 8.309 -8.990 -6.399 1.00 0.72 N ATOM 1089 CA ARG A 74 9.159 -8.849 -7.532 1.00 0.71 C ATOM 1090 C ARG A 74 10.187 -7.768 -7.255 1.00 0.73 C ATOM 1091 O ARG A 74 11.362 -7.930 -7.570 1.00 0.68 O ATOM 1092 CB ARG A 74 8.277 -8.466 -8.720 1.00 0.83 C ATOM 1093 CG ARG A 74 9.015 -7.941 -9.928 1.00 0.91 C ATOM 1094 CD ARG A 74 9.478 -9.046 -10.873 1.00 1.12 C ATOM 1095 NE ARG A 74 8.360 -9.672 -11.592 1.00 1.47 N ATOM 1096 CZ ARG A 74 8.484 -10.673 -12.476 1.00 1.90 C ATOM 1097 NH1 ARG A 74 9.677 -11.185 -12.774 1.00 2.18 N ATOM 1098 NH2 ARG A 74 7.403 -11.163 -13.067 1.00 2.55 N ATOM 0 H ARG A 74 7.397 -8.548 -6.513 1.00 0.72 H new ATOM 0 HA ARG A 74 9.692 -9.775 -7.748 1.00 0.71 H new ATOM 0 HB2 ARG A 74 7.699 -9.340 -9.019 1.00 0.83 H new ATOM 0 HB3 ARG A 74 7.564 -7.709 -8.393 1.00 0.83 H new ATOM 0 HG2 ARG A 74 8.367 -7.254 -10.472 1.00 0.91 H new ATOM 0 HG3 ARG A 74 9.881 -7.368 -9.597 1.00 0.91 H new ATOM 0 HD2 ARG A 74 10.184 -8.632 -11.593 1.00 1.12 H new ATOM 0 HD3 ARG A 74 10.012 -9.807 -10.304 1.00 1.12 H new ATOM 0 HE ARG A 74 7.421 -9.320 -11.405 1.00 1.47 H new ATOM 0 HH11 ARG A 74 10.516 -10.816 -12.327 1.00 2.18 H new ATOM 0 HH12 ARG A 74 9.751 -11.946 -13.449 1.00 2.18 H new ATOM 0 HH21 ARG A 74 6.484 -10.779 -12.848 1.00 2.55 H new ATOM 0 HH22 ARG A 74 7.491 -11.924 -13.740 1.00 2.55 H new ATOM 1112 N LYS A 75 9.712 -6.649 -6.686 1.00 0.86 N ATOM 1113 CA LYS A 75 10.571 -5.542 -6.307 1.00 0.95 C ATOM 1114 C LYS A 75 11.613 -6.025 -5.293 1.00 0.90 C ATOM 1115 O LYS A 75 12.607 -5.350 -5.014 1.00 0.96 O ATOM 1116 CB LYS A 75 9.715 -4.394 -5.781 1.00 1.19 C ATOM 1117 CG LYS A 75 8.437 -4.233 -6.595 1.00 1.28 C ATOM 1118 CD LYS A 75 8.698 -3.703 -7.992 1.00 1.40 C ATOM 1119 CE LYS A 75 7.423 -3.654 -8.815 1.00 2.25 C ATOM 1120 NZ LYS A 75 7.665 -3.118 -10.183 1.00 2.99 N ATOM 0 H LYS A 75 8.724 -6.497 -6.481 1.00 0.86 H new ATOM 0 HA LYS A 75 11.119 -5.165 -7.171 1.00 0.95 H new ATOM 0 HB2 LYS A 75 9.462 -4.576 -4.737 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.288 -3.467 -5.813 1.00 1.19 H new ATOM 0 HG2 LYS A 75 7.931 -5.196 -6.664 1.00 1.28 H new ATOM 0 HG3 LYS A 75 7.761 -3.555 -6.073 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.130 -2.704 -7.929 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.431 -4.336 -8.492 1.00 1.40 H new ATOM 0 HE2 LYS A 75 6.999 -4.656 -8.887 1.00 2.25 H new ATOM 0 HE3 LYS A 75 6.686 -3.032 -8.306 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 6.754 -2.925 -10.647 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 8.214 -2.237 -10.119 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.196 -3.817 -10.741 1.00 2.99 H new ATOM 1134 N MET A 76 11.327 -7.221 -4.741 1.00 0.85 N ATOM 1135 CA MET A 76 12.200 -7.919 -3.819 1.00 0.93 C ATOM 1136 C MET A 76 13.262 -8.676 -4.618 1.00 0.83 C ATOM 1137 O MET A 76 14.437 -8.688 -4.240 1.00 0.93 O ATOM 1138 CB MET A 76 11.420 -8.910 -2.952 1.00 1.07 C ATOM 1139 CG MET A 76 10.359 -8.259 -2.097 1.00 0.96 C ATOM 1140 SD MET A 76 11.046 -7.311 -0.725 1.00 1.64 S ATOM 1141 CE MET A 76 9.556 -6.609 -0.023 1.00 2.37 C ATOM 0 H MET A 76 10.463 -7.726 -4.937 1.00 0.85 H new ATOM 0 HA MET A 76 12.664 -7.185 -3.161 1.00 0.93 H new ATOM 0 HB2 MET A 76 10.950 -9.653 -3.597 1.00 1.07 H new ATOM 0 HB3 MET A 76 12.118 -9.444 -2.307 1.00 1.07 H new ATOM 0 HG2 MET A 76 9.752 -7.601 -2.719 1.00 0.96 H new ATOM 0 HG3 MET A 76 9.694 -9.028 -1.704 1.00 0.96 H new ATOM 0 HE1 MET A 76 9.819 -5.951 0.805 1.00 2.37 H new ATOM 0 HE2 MET A 76 9.028 -6.038 -0.787 1.00 2.37 H new ATOM 0 HE3 MET A 76 8.912 -7.410 0.340 1.00 2.37 H new ATOM 1151 N LYS A 77 12.827 -9.312 -5.737 1.00 0.72 N ATOM 1152 CA LYS A 77 13.742 -10.055 -6.602 1.00 0.79 C ATOM 1153 C LYS A 77 14.433 -9.137 -7.635 1.00 0.78 C ATOM 1154 O LYS A 77 15.396 -9.542 -8.293 1.00 0.91 O ATOM 1155 CB LYS A 77 13.019 -11.246 -7.256 1.00 0.86 C ATOM 1156 CG LYS A 77 11.925 -10.917 -8.267 1.00 0.76 C ATOM 1157 CD LYS A 77 10.637 -11.681 -7.939 1.00 0.89 C ATOM 1158 CE LYS A 77 10.759 -13.188 -8.182 1.00 0.96 C ATOM 1159 NZ LYS A 77 9.497 -13.907 -7.854 1.00 1.75 N ATOM 0 H LYS A 77 11.855 -9.318 -6.048 1.00 0.72 H new ATOM 0 HA LYS A 77 14.542 -10.460 -5.983 1.00 0.79 H new ATOM 0 HB2 LYS A 77 13.766 -11.865 -7.753 1.00 0.86 H new ATOM 0 HB3 LYS A 77 12.579 -11.852 -6.464 1.00 0.86 H new ATOM 0 HG2 LYS A 77 11.729 -9.845 -8.262 1.00 0.76 H new ATOM 0 HG3 LYS A 77 12.261 -11.175 -9.271 1.00 0.76 H new ATOM 0 HD2 LYS A 77 10.373 -11.507 -6.896 1.00 0.89 H new ATOM 0 HD3 LYS A 77 9.822 -11.285 -8.545 1.00 0.89 H new ATOM 0 HE2 LYS A 77 11.019 -13.368 -9.225 1.00 0.96 H new ATOM 0 HE3 LYS A 77 11.573 -13.589 -7.577 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 9.621 -14.924 -8.032 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 9.262 -13.757 -6.852 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 8.725 -13.543 -8.449 1.00 1.75 H new ATOM 1173 N ASP A 78 13.917 -7.908 -7.755 1.00 0.74 N ATOM 1174 CA ASP A 78 14.459 -6.889 -8.660 1.00 0.79 C ATOM 1175 C ASP A 78 14.791 -5.620 -7.870 1.00 0.77 C ATOM 1176 O ASP A 78 13.909 -5.038 -7.230 1.00 0.80 O ATOM 1177 CB ASP A 78 13.450 -6.565 -9.769 1.00 0.84 C ATOM 1178 CG ASP A 78 13.263 -7.714 -10.743 1.00 1.19 C ATOM 1179 OD1 ASP A 78 12.491 -8.642 -10.425 1.00 1.66 O ATOM 1180 OD2 ASP A 78 13.888 -7.683 -11.824 1.00 1.92 O ATOM 0 H ASP A 78 13.106 -7.591 -7.223 1.00 0.74 H new ATOM 0 HA ASP A 78 15.368 -7.276 -9.120 1.00 0.79 H new ATOM 0 HB2 ASP A 78 12.489 -6.315 -9.319 1.00 0.84 H new ATOM 0 HB3 ASP A 78 13.786 -5.683 -10.314 1.00 0.84 H new ATOM 1185 N THR A 79 16.063 -5.194 -7.914 1.00 0.79 N ATOM 1186 CA THR A 79 16.513 -4.009 -7.180 1.00 0.82 C ATOM 1187 C THR A 79 16.310 -2.714 -7.960 1.00 0.73 C ATOM 1188 O THR A 79 17.001 -1.710 -7.742 1.00 0.78 O ATOM 1189 CB THR A 79 17.978 -4.120 -6.706 1.00 0.99 C ATOM 1190 OG1 THR A 79 18.838 -4.407 -7.815 1.00 1.03 O ATOM 1191 CG2 THR A 79 18.136 -5.196 -5.638 1.00 1.15 C ATOM 0 H THR A 79 16.796 -5.656 -8.452 1.00 0.79 H new ATOM 0 HA THR A 79 15.876 -3.969 -6.296 1.00 0.82 H new ATOM 0 HB THR A 79 18.259 -3.162 -6.269 1.00 0.99 H new ATOM 0 HG1 THR A 79 19.764 -4.473 -7.502 1.00 1.03 H new ATOM 0 HG21 THR A 79 19.179 -5.248 -5.326 1.00 1.15 H new ATOM 0 HG22 THR A 79 17.512 -4.950 -4.779 1.00 1.15 H new ATOM 0 HG23 THR A 79 17.830 -6.160 -6.045 1.00 1.15 H new ATOM 1199 N ASP A 80 15.335 -2.754 -8.851 1.00 0.66 N ATOM 1200 CA ASP A 80 14.946 -1.603 -9.660 1.00 0.67 C ATOM 1201 C ASP A 80 13.958 -0.726 -8.874 1.00 0.66 C ATOM 1202 O ASP A 80 13.394 0.237 -9.401 1.00 0.74 O ATOM 1203 CB ASP A 80 14.323 -2.064 -10.985 1.00 0.77 C ATOM 1204 CG ASP A 80 15.341 -2.685 -11.925 1.00 1.18 C ATOM 1205 OD1 ASP A 80 15.532 -3.917 -11.862 1.00 1.72 O ATOM 1206 OD2 ASP A 80 15.945 -1.938 -12.723 1.00 1.86 O ATOM 0 H ASP A 80 14.784 -3.592 -9.038 1.00 0.66 H new ATOM 0 HA ASP A 80 15.834 -1.014 -9.890 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.535 -2.789 -10.779 1.00 0.77 H new ATOM 0 HB3 ASP A 80 13.852 -1.212 -11.476 1.00 0.77 H new ATOM 1211 N SER A 81 13.798 -1.074 -7.585 1.00 0.67 N ATOM 1212 CA SER A 81 12.885 -0.394 -6.660 1.00 0.75 C ATOM 1213 C SER A 81 13.380 0.997 -6.222 1.00 0.68 C ATOM 1214 O SER A 81 12.585 1.801 -5.726 1.00 0.76 O ATOM 1215 CB SER A 81 12.683 -1.287 -5.434 1.00 0.92 C ATOM 1216 OG SER A 81 11.834 -0.682 -4.470 1.00 1.07 O ATOM 0 H SER A 81 14.307 -1.846 -7.155 1.00 0.67 H new ATOM 0 HA SER A 81 11.945 -0.227 -7.187 1.00 0.75 H new ATOM 0 HB2 SER A 81 12.256 -2.240 -5.746 1.00 0.92 H new ATOM 0 HB3 SER A 81 13.650 -1.504 -4.980 1.00 0.92 H new ATOM 0 HG SER A 81 11.729 -1.283 -3.704 1.00 1.07 H new ATOM 1222 N GLU A 82 14.683 1.278 -6.402 1.00 0.62 N ATOM 1223 CA GLU A 82 15.263 2.581 -6.020 1.00 0.63 C ATOM 1224 C GLU A 82 14.726 3.711 -6.912 1.00 0.57 C ATOM 1225 O GLU A 82 14.536 4.840 -6.449 1.00 0.58 O ATOM 1226 CB GLU A 82 16.795 2.530 -6.095 1.00 0.72 C ATOM 1227 CG GLU A 82 17.491 3.597 -5.254 1.00 0.78 C ATOM 1228 CD GLU A 82 19.001 3.546 -5.379 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.547 4.229 -6.271 1.00 1.65 O ATOM 1230 OE2 GLU A 82 19.638 2.823 -4.584 1.00 2.12 O ATOM 0 H GLU A 82 15.353 0.624 -6.808 1.00 0.62 H new ATOM 0 HA GLU A 82 14.967 2.790 -4.992 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.132 1.546 -5.768 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.102 2.643 -7.135 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.138 4.582 -5.559 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.212 3.469 -4.208 1.00 0.78 H new ATOM 1237 N GLU A 83 14.489 3.384 -8.186 1.00 0.55 N ATOM 1238 CA GLU A 83 13.958 4.339 -9.164 1.00 0.58 C ATOM 1239 C GLU A 83 12.426 4.393 -9.107 1.00 0.59 C ATOM 1240 O GLU A 83 11.814 5.368 -9.553 1.00 0.65 O ATOM 1241 CB GLU A 83 14.413 3.948 -10.573 1.00 0.64 C ATOM 1242 CG GLU A 83 15.872 4.270 -10.859 1.00 0.71 C ATOM 1243 CD GLU A 83 16.296 3.866 -12.257 1.00 0.94 C ATOM 1244 OE1 GLU A 83 16.173 4.700 -13.179 1.00 1.76 O ATOM 1245 OE2 GLU A 83 16.750 2.716 -12.431 1.00 1.27 O ATOM 0 H GLU A 83 14.659 2.453 -8.568 1.00 0.55 H new ATOM 0 HA GLU A 83 14.344 5.329 -8.919 1.00 0.58 H new ATOM 0 HB2 GLU A 83 14.252 2.879 -10.713 1.00 0.64 H new ATOM 0 HB3 GLU A 83 13.787 4.462 -11.302 1.00 0.64 H new ATOM 0 HG2 GLU A 83 16.036 5.340 -10.729 1.00 0.71 H new ATOM 0 HG3 GLU A 83 16.502 3.760 -10.131 1.00 0.71 H new ATOM 1252 N GLU A 84 11.826 3.331 -8.551 1.00 0.60 N ATOM 1253 CA GLU A 84 10.367 3.213 -8.420 1.00 0.68 C ATOM 1254 C GLU A 84 9.847 3.863 -7.133 1.00 0.63 C ATOM 1255 O GLU A 84 8.774 4.462 -7.131 1.00 0.69 O ATOM 1256 CB GLU A 84 9.938 1.733 -8.420 1.00 0.80 C ATOM 1257 CG GLU A 84 10.468 0.901 -9.585 1.00 1.14 C ATOM 1258 CD GLU A 84 9.683 1.104 -10.869 1.00 1.74 C ATOM 1259 OE1 GLU A 84 8.699 0.366 -11.086 1.00 2.23 O ATOM 1260 OE2 GLU A 84 10.052 2.001 -11.655 1.00 2.31 O ATOM 0 H GLU A 84 12.338 2.531 -8.180 1.00 0.60 H new ATOM 0 HA GLU A 84 9.939 3.734 -9.277 1.00 0.68 H new ATOM 0 HB2 GLU A 84 10.269 1.276 -7.488 1.00 0.80 H new ATOM 0 HB3 GLU A 84 8.849 1.687 -8.428 1.00 0.80 H new ATOM 0 HG2 GLU A 84 11.513 1.157 -9.761 1.00 1.14 H new ATOM 0 HG3 GLU A 84 10.440 -0.154 -9.312 1.00 1.14 H new ATOM 1267 N ILE A 85 10.632 3.744 -6.048 1.00 0.57 N ATOM 1268 CA ILE A 85 10.262 4.258 -4.715 1.00 0.54 C ATOM 1269 C ILE A 85 9.986 5.785 -4.676 1.00 0.50 C ATOM 1270 O ILE A 85 9.235 6.252 -3.814 1.00 0.50 O ATOM 1271 CB ILE A 85 11.345 3.833 -3.664 1.00 0.54 C ATOM 1272 CG1 ILE A 85 10.774 3.818 -2.240 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.596 4.710 -3.719 1.00 0.57 C ATOM 1274 CD1 ILE A 85 10.892 2.471 -1.553 1.00 0.57 C ATOM 0 H ILE A 85 11.544 3.287 -6.070 1.00 0.57 H new ATOM 0 HA ILE A 85 9.307 3.802 -4.455 1.00 0.54 H new ATOM 0 HB ILE A 85 11.642 2.819 -3.933 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.292 4.568 -1.642 1.00 0.52 H new ATOM 0 HG13 ILE A 85 9.724 4.108 -2.275 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.312 4.371 -2.970 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.046 4.640 -4.709 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.323 5.746 -3.517 1.00 0.57 H new ATOM 0 HD11 ILE A 85 10.468 2.535 -0.551 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.350 1.720 -2.129 1.00 0.57 H new ATOM 0 HD13 ILE A 85 11.942 2.188 -1.485 1.00 0.57 H new ATOM 1286 N ARG A 86 10.590 6.542 -5.602 1.00 0.50 N ATOM 1287 CA ARG A 86 10.405 8.002 -5.669 1.00 0.50 C ATOM 1288 C ARG A 86 9.136 8.382 -6.429 1.00 0.52 C ATOM 1289 O ARG A 86 8.467 9.356 -6.073 1.00 0.53 O ATOM 1290 CB ARG A 86 11.627 8.693 -6.289 1.00 0.54 C ATOM 1291 CG ARG A 86 12.676 7.747 -6.843 1.00 1.10 C ATOM 1292 CD ARG A 86 13.945 8.491 -7.210 1.00 1.26 C ATOM 1293 NE ARG A 86 14.974 7.596 -7.750 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.160 7.998 -8.231 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.494 9.287 -8.253 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.016 7.098 -8.696 1.00 2.95 N ATOM 0 H ARG A 86 11.213 6.168 -6.318 1.00 0.50 H new ATOM 0 HA ARG A 86 10.296 8.352 -4.643 1.00 0.50 H new ATOM 0 HB2 ARG A 86 11.289 9.349 -7.091 1.00 0.54 H new ATOM 0 HB3 ARG A 86 12.091 9.327 -5.534 1.00 0.54 H new ATOM 0 HG2 ARG A 86 12.903 6.978 -6.104 1.00 1.10 H new ATOM 0 HG3 ARG A 86 12.282 7.238 -7.723 1.00 1.10 H new ATOM 0 HD2 ARG A 86 13.713 9.261 -7.946 1.00 1.26 H new ATOM 0 HD3 ARG A 86 14.334 9.000 -6.328 1.00 1.26 H new ATOM 0 HE ARG A 86 14.773 6.596 -7.761 1.00 1.79 H new ATOM 0 HH11 ARG A 86 15.843 9.989 -7.900 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.401 9.573 -8.623 1.00 1.78 H new ATOM 0 HH21 ARG A 86 16.771 6.108 -8.686 1.00 2.95 H new ATOM 0 HH22 ARG A 86 17.920 7.396 -9.063 1.00 2.95 H new ATOM 1310 N GLU A 87 8.813 7.615 -7.477 1.00 0.57 N ATOM 1311 CA GLU A 87 7.590 7.841 -8.264 1.00 0.63 C ATOM 1312 C GLU A 87 6.415 7.210 -7.539 1.00 0.62 C ATOM 1313 O GLU A 87 5.269 7.646 -7.676 1.00 0.65 O ATOM 1314 CB GLU A 87 7.731 7.259 -9.670 1.00 0.73 C ATOM 1315 CG GLU A 87 8.828 7.914 -10.496 1.00 0.77 C ATOM 1316 CD GLU A 87 9.000 7.271 -11.858 1.00 1.39 C ATOM 1317 OE1 GLU A 87 9.793 6.312 -11.965 1.00 2.08 O ATOM 1318 OE2 GLU A 87 8.342 7.725 -12.816 1.00 2.02 O ATOM 0 H GLU A 87 9.380 6.832 -7.802 1.00 0.57 H new ATOM 0 HA GLU A 87 7.422 8.913 -8.368 1.00 0.63 H new ATOM 0 HB2 GLU A 87 7.935 6.191 -9.593 1.00 0.73 H new ATOM 0 HB3 GLU A 87 6.781 7.365 -10.194 1.00 0.73 H new ATOM 0 HG2 GLU A 87 8.597 8.971 -10.625 1.00 0.77 H new ATOM 0 HG3 GLU A 87 9.770 7.857 -9.951 1.00 0.77 H new ATOM 1325 N ALA A 88 6.737 6.167 -6.765 1.00 0.60 N ATOM 1326 CA ALA A 88 5.775 5.489 -5.908 1.00 0.62 C ATOM 1327 C ALA A 88 5.483 6.397 -4.718 1.00 0.55 C ATOM 1328 O ALA A 88 4.510 6.205 -3.998 1.00 0.56 O ATOM 1329 CB ALA A 88 6.288 4.126 -5.474 1.00 0.70 C ATOM 0 H ALA A 88 7.677 5.773 -6.720 1.00 0.60 H new ATOM 0 HA ALA A 88 4.851 5.301 -6.455 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.547 3.645 -4.835 1.00 0.70 H new ATOM 0 HB2 ALA A 88 6.466 3.507 -6.354 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.220 4.247 -4.921 1.00 0.70 H new ATOM 1335 N PHE A 89 6.390 7.375 -4.514 1.00 0.51 N ATOM 1336 CA PHE A 89 6.230 8.393 -3.476 1.00 0.49 C ATOM 1337 C PHE A 89 5.230 9.427 -3.950 1.00 0.47 C ATOM 1338 O PHE A 89 4.400 9.900 -3.171 1.00 0.47 O ATOM 1339 CB PHE A 89 7.513 9.173 -3.170 1.00 0.51 C ATOM 1340 CG PHE A 89 7.562 9.646 -1.741 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.928 8.786 -0.715 1.00 1.27 C ATOM 1342 CD2 PHE A 89 7.200 10.945 -1.424 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.931 9.217 0.595 1.00 1.29 C ATOM 1344 CE2 PHE A 89 7.208 11.382 -0.117 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.570 10.517 0.895 1.00 0.65 C ATOM 0 H PHE A 89 7.244 7.474 -5.063 1.00 0.51 H new ATOM 0 HA PHE A 89 5.919 7.854 -2.581 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.378 8.541 -3.372 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.583 10.031 -3.838 1.00 0.51 H new ATOM 0 HD1 PHE A 89 8.213 7.770 -0.945 1.00 1.27 H new ATOM 0 HD2 PHE A 89 6.908 11.624 -2.211 1.00 1.19 H new ATOM 0 HE1 PHE A 89 8.215 8.539 1.386 1.00 1.29 H new ATOM 0 HE2 PHE A 89 6.931 12.400 0.115 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.571 10.855 1.921 1.00 0.65 H new ATOM 1355 N ARG A 90 5.321 9.775 -5.254 1.00 0.50 N ATOM 1356 CA ARG A 90 4.440 10.777 -5.841 1.00 0.54 C ATOM 1357 C ARG A 90 2.971 10.337 -5.777 1.00 0.54 C ATOM 1358 O ARG A 90 2.049 11.138 -5.950 1.00 0.60 O ATOM 1359 CB ARG A 90 4.847 11.056 -7.290 1.00 0.62 C ATOM 1360 CG ARG A 90 4.759 12.521 -7.687 1.00 1.26 C ATOM 1361 CD ARG A 90 4.556 12.672 -9.185 1.00 1.50 C ATOM 1362 NE ARG A 90 4.483 14.080 -9.592 1.00 2.03 N ATOM 1363 CZ ARG A 90 4.317 14.502 -10.854 1.00 2.50 C ATOM 1364 NH1 ARG A 90 4.203 13.637 -11.861 1.00 2.61 N ATOM 1365 NH2 ARG A 90 4.265 15.803 -11.107 1.00 3.17 N ATOM 0 H ARG A 90 5.995 9.373 -5.905 1.00 0.50 H new ATOM 0 HA ARG A 90 4.541 11.694 -5.260 1.00 0.54 H new ATOM 0 HB2 ARG A 90 5.869 10.710 -7.442 1.00 0.62 H new ATOM 0 HB3 ARG A 90 4.210 10.472 -7.954 1.00 0.62 H new ATOM 0 HG2 ARG A 90 3.934 12.996 -7.156 1.00 1.26 H new ATOM 0 HG3 ARG A 90 5.671 13.037 -7.387 1.00 1.26 H new ATOM 0 HD2 ARG A 90 5.376 12.184 -9.713 1.00 1.50 H new ATOM 0 HD3 ARG A 90 3.639 12.162 -9.480 1.00 1.50 H new ATOM 0 HE ARG A 90 4.564 14.788 -8.863 1.00 2.03 H new ATOM 0 HH11 ARG A 90 4.241 12.634 -11.679 1.00 2.61 H new ATOM 0 HH12 ARG A 90 4.077 13.978 -12.814 1.00 2.61 H new ATOM 0 HH21 ARG A 90 4.351 16.475 -10.344 1.00 3.17 H new ATOM 0 HH22 ARG A 90 4.139 16.132 -12.064 1.00 3.17 H new ATOM 1379 N VAL A 91 2.800 9.038 -5.535 1.00 0.51 N ATOM 1380 CA VAL A 91 1.514 8.378 -5.391 1.00 0.53 C ATOM 1381 C VAL A 91 0.693 8.969 -4.222 1.00 0.54 C ATOM 1382 O VAL A 91 -0.515 9.195 -4.335 1.00 0.60 O ATOM 1383 CB VAL A 91 1.797 6.868 -5.160 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.746 6.475 -3.683 1.00 0.47 C ATOM 1385 CG2 VAL A 91 0.876 6.016 -5.992 1.00 0.59 C ATOM 0 H VAL A 91 3.586 8.397 -5.431 1.00 0.51 H new ATOM 0 HA VAL A 91 0.916 8.529 -6.290 1.00 0.53 H new ATOM 0 HB VAL A 91 2.820 6.684 -5.487 1.00 0.51 H new ATOM 0 HG11 VAL A 91 1.951 5.409 -3.583 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.494 7.042 -3.130 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.756 6.693 -3.282 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.094 4.963 -5.813 1.00 0.59 H new ATOM 0 HG22 VAL A 91 -0.158 6.224 -5.719 1.00 0.59 H new ATOM 0 HG23 VAL A 91 1.025 6.243 -7.048 1.00 0.59 H new ATOM 1395 N PHE A 92 1.402 9.203 -3.114 1.00 0.49 N ATOM 1396 CA PHE A 92 0.847 9.731 -1.887 1.00 0.54 C ATOM 1397 C PHE A 92 1.233 11.198 -1.753 1.00 0.60 C ATOM 1398 O PHE A 92 0.496 11.999 -1.171 1.00 0.69 O ATOM 1399 CB PHE A 92 1.385 8.869 -0.719 1.00 0.53 C ATOM 1400 CG PHE A 92 0.877 9.159 0.679 1.00 1.18 C ATOM 1401 CD1 PHE A 92 1.181 10.345 1.333 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.133 8.203 1.355 1.00 1.92 C ATOM 1403 CE1 PHE A 92 0.749 10.570 2.626 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -0.306 8.427 2.644 1.00 2.68 C ATOM 1405 CZ PHE A 92 0.002 9.609 3.281 1.00 2.89 C ATOM 0 H PHE A 92 2.404 9.022 -3.055 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.242 9.685 -1.881 1.00 0.54 H new ATOM 0 HB2 PHE A 92 1.162 7.826 -0.945 1.00 0.53 H new ATOM 0 HB3 PHE A 92 2.471 8.967 -0.706 1.00 0.53 H new ATOM 0 HD1 PHE A 92 1.762 11.101 0.825 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -0.106 7.270 0.866 1.00 1.92 H new ATOM 0 HE1 PHE A 92 0.995 11.496 3.124 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -0.891 7.676 3.153 1.00 2.68 H new ATOM 0 HZ PHE A 92 -0.340 9.784 4.290 1.00 2.89 H new ATOM 1415 N ALA A 93 2.404 11.524 -2.304 1.00 0.57 N ATOM 1416 CA ALA A 93 2.926 12.884 -2.288 1.00 0.66 C ATOM 1417 C ALA A 93 2.406 13.693 -3.475 1.00 0.85 C ATOM 1418 O ALA A 93 2.591 13.301 -4.630 1.00 1.63 O ATOM 1419 CB ALA A 93 4.451 12.877 -2.274 1.00 0.65 C ATOM 0 H ALA A 93 3.012 10.852 -2.772 1.00 0.57 H new ATOM 0 HA ALA A 93 2.573 13.363 -1.375 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.819 13.903 -2.262 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.804 12.354 -1.385 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.821 12.369 -3.165 1.00 0.65 H new ATOM 1425 N LYS A 94 1.754 14.829 -3.177 1.00 1.24 N ATOM 1426 CA LYS A 94 1.198 15.705 -4.220 1.00 1.42 C ATOM 1427 C LYS A 94 2.264 16.605 -4.816 1.00 1.36 C ATOM 1428 O LYS A 94 2.232 16.922 -6.009 1.00 1.78 O ATOM 1429 CB LYS A 94 0.032 16.540 -3.679 1.00 1.75 C ATOM 1430 CG LYS A 94 -1.234 15.735 -3.424 1.00 2.06 C ATOM 1431 CD LYS A 94 -2.356 16.615 -2.891 1.00 2.52 C ATOM 1432 CE LYS A 94 -3.626 15.816 -2.632 1.00 2.90 C ATOM 1433 NZ LYS A 94 -3.511 14.952 -1.422 1.00 3.37 N ATOM 0 H LYS A 94 1.600 15.161 -2.225 1.00 1.24 H new ATOM 0 HA LYS A 94 0.819 15.061 -5.014 1.00 1.42 H new ATOM 0 HB2 LYS A 94 0.341 17.018 -2.749 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -0.192 17.337 -4.388 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -1.554 15.256 -4.349 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -1.023 14.940 -2.709 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -2.034 17.095 -1.967 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -2.566 17.410 -3.607 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -4.465 16.501 -2.509 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -3.846 15.195 -3.500 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -4.458 14.780 -1.027 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -3.075 14.045 -1.683 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -2.920 15.428 -0.711 1.00 3.37 H new ATOM 1447 N ASP A 95 3.198 17.007 -3.970 1.00 1.40 N ATOM 1448 CA ASP A 95 4.332 17.829 -4.386 1.00 1.71 C ATOM 1449 C ASP A 95 5.488 16.902 -4.756 1.00 1.53 C ATOM 1450 O ASP A 95 6.586 17.352 -5.104 1.00 1.84 O ATOM 1451 CB ASP A 95 4.773 18.784 -3.264 1.00 2.30 C ATOM 1452 CG ASP A 95 3.647 19.669 -2.754 1.00 2.81 C ATOM 1453 OD1 ASP A 95 2.944 19.250 -1.811 1.00 3.23 O ATOM 1454 OD2 ASP A 95 3.471 20.779 -3.299 1.00 3.21 O ATOM 0 H ASP A 95 3.195 16.776 -2.977 1.00 1.40 H new ATOM 0 HA ASP A 95 4.036 18.437 -5.241 1.00 1.71 H new ATOM 0 HB2 ASP A 95 5.172 18.200 -2.434 1.00 2.30 H new ATOM 0 HB3 ASP A 95 5.584 19.414 -3.629 1.00 2.30 H new ATOM 1459 N GLY A 96 5.202 15.587 -4.689 1.00 1.38 N ATOM 1460 CA GLY A 96 6.204 14.566 -4.970 1.00 1.83 C ATOM 1461 C GLY A 96 7.123 14.311 -3.783 1.00 1.85 C ATOM 1462 O GLY A 96 7.442 13.161 -3.470 1.00 2.43 O ATOM 0 H GLY A 96 4.284 15.217 -4.442 1.00 1.38 H new ATOM 0 HA2 GLY A 96 5.705 13.637 -5.245 1.00 1.83 H new ATOM 0 HA3 GLY A 96 6.801 14.874 -5.829 1.00 1.83 H new ATOM 1466 N ASN A 97 7.531 15.407 -3.121 1.00 1.55 N ATOM 1467 CA ASN A 97 8.423 15.379 -1.966 1.00 1.99 C ATOM 1468 C ASN A 97 8.276 16.664 -1.133 1.00 1.78 C ATOM 1469 O ASN A 97 7.494 17.555 -1.483 1.00 2.66 O ATOM 1470 CB ASN A 97 9.879 15.246 -2.434 1.00 2.43 C ATOM 1471 CG ASN A 97 10.261 13.824 -2.799 1.00 3.41 C ATOM 1472 OD1 ASN A 97 10.676 13.042 -1.944 1.00 4.01 O ATOM 1473 ND2 ASN A 97 10.129 13.484 -4.076 1.00 4.00 N ATOM 0 H ASN A 97 7.241 16.349 -3.384 1.00 1.55 H new ATOM 0 HA ASN A 97 8.153 14.523 -1.348 1.00 1.99 H new ATOM 0 HB2 ASN A 97 10.037 15.891 -3.298 1.00 2.43 H new ATOM 0 HB3 ASN A 97 10.542 15.602 -1.645 1.00 2.43 H new ATOM 0 HD21 ASN A 97 10.376 12.543 -4.381 1.00 4.00 H new ATOM 0 HD22 ASN A 97 9.781 14.164 -4.752 1.00 4.00 H new ATOM 1480 N GLY A 98 9.036 16.741 -0.031 1.00 1.20 N ATOM 1481 CA GLY A 98 9.036 17.911 0.825 1.00 1.80 C ATOM 1482 C GLY A 98 8.368 17.673 2.158 1.00 1.46 C ATOM 1483 O GLY A 98 9.039 17.664 3.194 1.00 1.68 O ATOM 0 H GLY A 98 9.659 15.996 0.280 1.00 1.20 H new ATOM 0 HA2 GLY A 98 10.065 18.230 0.993 1.00 1.80 H new ATOM 0 HA3 GLY A 98 8.529 18.728 0.312 1.00 1.80 H new ATOM 1487 N TYR A 99 7.047 17.481 2.137 1.00 1.07 N ATOM 1488 CA TYR A 99 6.270 17.265 3.371 1.00 0.84 C ATOM 1489 C TYR A 99 4.895 16.634 3.108 1.00 0.81 C ATOM 1490 O TYR A 99 4.019 17.264 2.504 1.00 0.96 O ATOM 1491 CB TYR A 99 6.105 18.590 4.159 1.00 1.07 C ATOM 1492 CG TYR A 99 5.547 19.756 3.356 1.00 1.57 C ATOM 1493 CD1 TYR A 99 4.201 20.092 3.426 1.00 2.28 C ATOM 1494 CD2 TYR A 99 6.371 20.518 2.534 1.00 2.37 C ATOM 1495 CE1 TYR A 99 3.690 21.151 2.700 1.00 3.13 C ATOM 1496 CE2 TYR A 99 5.867 21.579 1.805 1.00 3.24 C ATOM 1497 CZ TYR A 99 4.527 21.891 1.891 1.00 3.46 C ATOM 1498 OH TYR A 99 4.022 22.946 1.167 1.00 4.47 O ATOM 0 H TYR A 99 6.489 17.470 1.283 1.00 1.07 H new ATOM 0 HA TYR A 99 6.840 16.556 3.972 1.00 0.84 H new ATOM 0 HB2 TYR A 99 5.449 18.409 5.010 1.00 1.07 H new ATOM 0 HB3 TYR A 99 7.076 18.878 4.561 1.00 1.07 H new ATOM 0 HD1 TYR A 99 3.542 19.516 4.059 1.00 2.28 H new ATOM 0 HD2 TYR A 99 7.421 20.277 2.464 1.00 2.37 H new ATOM 0 HE1 TYR A 99 2.641 21.398 2.766 1.00 3.13 H new ATOM 0 HE2 TYR A 99 6.520 22.161 1.171 1.00 3.24 H new ATOM 0 HH TYR A 99 4.743 23.363 0.650 1.00 4.47 H new ATOM 1508 N ILE A 100 4.725 15.381 3.548 1.00 1.17 N ATOM 1509 CA ILE A 100 3.442 14.678 3.411 1.00 1.39 C ATOM 1510 C ILE A 100 3.048 14.004 4.734 1.00 1.13 C ATOM 1511 O ILE A 100 3.688 13.054 5.188 1.00 1.43 O ATOM 1512 CB ILE A 100 3.399 13.686 2.211 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.631 12.777 2.134 1.00 2.36 C ATOM 1514 CG2 ILE A 100 3.256 14.466 0.912 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.399 11.402 2.709 1.00 3.08 C ATOM 0 H ILE A 100 5.457 14.834 4.001 1.00 1.17 H new ATOM 0 HA ILE A 100 2.694 15.436 3.177 1.00 1.39 H new ATOM 0 HB ILE A 100 2.538 13.036 2.367 1.00 2.12 H new ATOM 0 HG12 ILE A 100 4.937 12.680 1.092 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.456 13.250 2.666 1.00 2.36 H new ATOM 0 HG21 ILE A 100 3.226 13.772 0.072 1.00 2.84 H new ATOM 0 HG22 ILE A 100 2.334 15.047 0.936 1.00 2.84 H new ATOM 0 HG23 ILE A 100 4.106 15.139 0.796 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.312 10.812 2.622 1.00 3.08 H new ATOM 0 HD12 ILE A 100 4.122 11.489 3.760 1.00 3.08 H new ATOM 0 HD13 ILE A 100 3.595 10.910 2.162 1.00 3.08 H new ATOM 1527 N SER A 101 1.971 14.533 5.325 1.00 0.79 N ATOM 1528 CA SER A 101 1.431 14.108 6.620 1.00 0.64 C ATOM 1529 C SER A 101 0.793 12.745 6.641 1.00 0.64 C ATOM 1530 O SER A 101 0.231 12.261 5.658 1.00 0.70 O ATOM 1531 CB SER A 101 0.419 15.154 7.105 1.00 0.71 C ATOM 1532 OG SER A 101 0.092 14.965 8.473 1.00 1.45 O ATOM 0 H SER A 101 1.436 15.291 4.902 1.00 0.79 H new ATOM 0 HA SER A 101 2.291 14.029 7.285 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.830 16.153 6.963 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.487 15.093 6.501 1.00 0.71 H new ATOM 0 HG SER A 101 -0.553 15.648 8.752 1.00 1.45 H new ATOM 1538 N ALA A 102 0.926 12.146 7.829 1.00 0.72 N ATOM 1539 CA ALA A 102 0.327 10.855 8.156 1.00 0.83 C ATOM 1540 C ALA A 102 -1.190 11.025 8.229 1.00 0.77 C ATOM 1541 O ALA A 102 -1.947 10.054 8.242 1.00 0.87 O ATOM 1542 CB ALA A 102 0.875 10.326 9.472 1.00 1.01 C ATOM 0 H ALA A 102 1.460 12.552 8.597 1.00 0.72 H new ATOM 0 HA ALA A 102 0.576 10.129 7.383 1.00 0.83 H new ATOM 0 HB1 ALA A 102 0.416 9.363 9.697 1.00 1.01 H new ATOM 0 HB2 ALA A 102 1.955 10.203 9.393 1.00 1.01 H new ATOM 0 HB3 ALA A 102 0.648 11.032 10.271 1.00 1.01 H new ATOM 1548 N ALA A 103 -1.606 12.305 8.286 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.020 12.687 8.313 1.00 0.71 C ATOM 1550 C ALA A 103 -3.644 12.474 6.930 1.00 0.64 C ATOM 1551 O ALA A 103 -4.868 12.422 6.786 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.171 14.136 8.751 1.00 0.84 C ATOM 0 H ALA A 103 -0.966 13.099 8.314 1.00 0.68 H new ATOM 0 HA ALA A 103 -3.542 12.058 9.034 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.228 14.403 8.766 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -2.751 14.260 9.749 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.642 14.784 8.052 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.762 12.352 5.919 1.00 0.59 N ATOM 1559 CA GLU A 104 -3.148 12.113 4.530 1.00 0.69 C ATOM 1560 C GLU A 104 -3.736 10.709 4.343 1.00 0.67 C ATOM 1561 O GLU A 104 -4.375 10.435 3.326 1.00 0.74 O ATOM 1562 CB GLU A 104 -1.974 12.338 3.599 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.621 13.805 3.417 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.596 14.034 2.323 1.00 1.24 C ATOM 1565 OE1 GLU A 104 0.537 14.437 2.651 1.00 1.81 O ATOM 1566 OE2 GLU A 104 -0.929 13.813 1.139 1.00 1.65 O ATOM 0 H GLU A 104 -1.753 12.419 6.054 1.00 0.59 H new ATOM 0 HA GLU A 104 -3.928 12.831 4.275 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -1.104 11.808 3.988 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -2.203 11.904 2.626 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.526 14.365 3.183 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -1.236 14.200 4.357 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.471 9.809 5.325 1.00 0.68 N ATOM 1574 CA LEU A 105 -4.003 8.435 5.345 1.00 0.80 C ATOM 1575 C LEU A 105 -5.497 8.376 5.079 1.00 0.68 C ATOM 1576 O LEU A 105 -6.022 7.377 4.578 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.718 7.807 6.705 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.615 6.761 6.714 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -1.496 7.178 7.646 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -3.179 5.408 7.118 1.00 1.81 C ATOM 0 H LEU A 105 -2.878 10.025 6.127 1.00 0.68 H new ATOM 0 HA LEU A 105 -3.507 7.886 4.544 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -3.452 8.599 7.405 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -4.635 7.349 7.076 1.00 1.07 H new ATOM 0 HG LEU A 105 -2.204 6.676 5.708 1.00 1.38 H new ATOM 0 HD11 LEU A 105 -0.715 6.418 7.640 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -1.080 8.128 7.312 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -1.887 7.288 8.657 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -2.380 4.667 7.121 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -3.613 5.478 8.116 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.949 5.108 6.408 1.00 1.81 H new ATOM 1592 N ARG A 106 -6.148 9.464 5.425 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.572 9.626 5.260 1.00 0.68 C ATOM 1594 C ARG A 106 -7.921 10.104 3.844 1.00 0.66 C ATOM 1595 O ARG A 106 -9.012 9.824 3.344 1.00 0.74 O ATOM 1596 CB ARG A 106 -8.041 10.574 6.359 1.00 0.79 C ATOM 1597 CG ARG A 106 -7.841 12.066 6.087 1.00 0.97 C ATOM 1598 CD ARG A 106 -8.323 12.914 7.254 1.00 1.46 C ATOM 1599 NE ARG A 106 -8.135 14.348 7.006 1.00 1.70 N ATOM 1600 CZ ARG A 106 -8.425 15.319 7.885 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -8.922 15.034 9.088 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -8.216 16.586 7.554 1.00 2.39 N ATOM 0 H ARG A 106 -5.691 10.277 5.838 1.00 0.65 H new ATOM 0 HA ARG A 106 -8.096 8.675 5.362 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -9.102 10.396 6.537 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -7.516 10.319 7.280 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -6.785 12.265 5.903 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -8.381 12.348 5.183 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -9.379 12.713 7.437 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -7.783 12.628 8.157 1.00 1.46 H new ATOM 0 HE ARG A 106 -7.757 14.626 6.101 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -9.088 14.064 9.354 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -9.136 15.786 9.743 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -7.837 16.817 6.636 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -8.434 17.329 8.218 1.00 2.39 H new ATOM 1616 N HIS A 107 -6.979 10.827 3.207 1.00 0.67 N ATOM 1617 CA HIS A 107 -7.175 11.324 1.842 1.00 0.82 C ATOM 1618 C HIS A 107 -6.927 10.229 0.798 1.00 0.87 C ATOM 1619 O HIS A 107 -7.584 10.215 -0.244 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.256 12.520 1.584 1.00 0.94 C ATOM 1621 CG HIS A 107 -6.780 13.483 0.559 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -7.398 14.671 0.889 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -6.771 13.429 -0.794 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -7.749 15.305 -0.216 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -7.378 14.573 -1.250 1.00 1.46 N ATOM 0 H HIS A 107 -6.080 11.076 3.619 1.00 0.67 H new ATOM 0 HA HIS A 107 -8.214 11.639 1.747 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -6.099 13.053 2.522 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -5.282 12.153 1.259 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -6.363 12.635 -1.401 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -8.253 16.259 -0.265 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -7.520 14.818 -2.230 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.974 9.321 1.077 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.660 8.209 0.166 1.00 1.11 C ATOM 1636 C VAL A 108 -6.859 7.249 0.064 1.00 0.96 C ATOM 1637 O VAL A 108 -7.274 6.885 -1.039 1.00 0.99 O ATOM 1638 CB VAL A 108 -4.385 7.412 0.595 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -3.972 6.403 -0.475 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.213 8.342 0.892 1.00 0.86 C ATOM 0 H VAL A 108 -5.409 9.337 1.926 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.452 8.653 -0.807 1.00 1.11 H new ATOM 0 HB VAL A 108 -4.646 6.875 1.507 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -3.083 5.866 -0.145 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -4.784 5.694 -0.639 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.755 6.928 -1.405 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -2.346 7.751 1.187 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -2.972 8.920 -0.000 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.483 9.020 1.702 1.00 0.86 H new ATOM 1650 N MET A 109 -7.394 6.836 1.226 1.00 0.88 N ATOM 1651 CA MET A 109 -8.547 5.943 1.286 1.00 0.80 C ATOM 1652 C MET A 109 -9.820 6.557 0.721 1.00 0.72 C ATOM 1653 O MET A 109 -10.614 5.851 0.102 1.00 0.73 O ATOM 1654 CB MET A 109 -8.741 5.450 2.723 1.00 0.80 C ATOM 1655 CG MET A 109 -8.145 4.094 2.936 1.00 1.72 C ATOM 1656 SD MET A 109 -8.405 3.466 4.605 1.00 2.24 S ATOM 1657 CE MET A 109 -9.051 1.833 4.254 1.00 3.24 C ATOM 0 H MET A 109 -7.037 7.114 2.140 1.00 0.88 H new ATOM 0 HA MET A 109 -8.334 5.091 0.640 1.00 0.80 H new ATOM 0 HB2 MET A 109 -8.285 6.159 3.414 1.00 0.80 H new ATOM 0 HB3 MET A 109 -9.806 5.419 2.955 1.00 0.80 H new ATOM 0 HG2 MET A 109 -8.578 3.396 2.219 1.00 1.72 H new ATOM 0 HG3 MET A 109 -7.075 4.137 2.732 1.00 1.72 H new ATOM 0 HE1 MET A 109 -8.774 1.152 5.058 1.00 3.24 H new ATOM 0 HE2 MET A 109 -10.137 1.880 4.176 1.00 3.24 H new ATOM 0 HE3 MET A 109 -8.636 1.472 3.313 1.00 3.24 H new ATOM 1667 N THR A 110 -9.995 7.863 0.896 1.00 0.72 N ATOM 1668 CA THR A 110 -11.170 8.552 0.352 1.00 0.77 C ATOM 1669 C THR A 110 -10.899 8.909 -1.113 1.00 0.89 C ATOM 1670 O THR A 110 -11.832 9.212 -1.863 1.00 0.97 O ATOM 1671 CB THR A 110 -11.551 9.809 1.174 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.499 9.506 2.574 1.00 0.78 O ATOM 1673 CG2 THR A 110 -12.954 10.309 0.832 1.00 0.97 C ATOM 0 H THR A 110 -9.347 8.465 1.405 1.00 0.72 H new ATOM 0 HA THR A 110 -12.026 7.880 0.416 1.00 0.77 H new ATOM 0 HB THR A 110 -10.835 10.592 0.924 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.729 9.958 2.978 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.182 11.191 1.430 1.00 0.97 H new ATOM 0 HG22 THR A 110 -13.001 10.566 -0.226 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.682 9.527 1.048 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.602 8.888 -1.506 1.00 0.96 N ATOM 1682 CA ASN A 111 -9.209 9.102 -2.906 1.00 1.14 C ATOM 1683 C ASN A 111 -9.859 7.982 -3.723 1.00 1.13 C ATOM 1684 O ASN A 111 -10.220 8.162 -4.889 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.683 9.080 -3.065 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.212 9.795 -4.319 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -7.087 9.189 -5.383 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -6.947 11.091 -4.199 1.00 1.85 N ATOM 0 H ASN A 111 -8.820 8.725 -0.872 1.00 0.96 H new ATOM 0 HA ASN A 111 -9.541 10.081 -3.252 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -7.225 9.546 -2.193 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.340 8.046 -3.091 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -6.626 11.623 -5.008 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -7.064 11.554 -3.298 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.988 6.814 -3.058 1.00 1.02 N ATOM 1696 CA LEU A 112 -10.682 5.657 -3.610 1.00 1.04 C ATOM 1697 C LEU A 112 -12.147 5.740 -3.157 1.00 0.95 C ATOM 1698 O LEU A 112 -13.038 5.125 -3.750 1.00 1.02 O ATOM 1699 CB LEU A 112 -10.042 4.350 -3.123 1.00 1.07 C ATOM 1700 CG LEU A 112 -8.604 4.104 -3.593 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -7.805 3.399 -2.508 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -8.590 3.288 -4.878 1.00 1.54 C ATOM 0 H LEU A 112 -9.610 6.658 -2.124 1.00 1.02 H new ATOM 0 HA LEU A 112 -10.615 5.661 -4.698 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -10.056 4.343 -2.033 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -10.662 3.517 -3.455 1.00 1.07 H new ATOM 0 HG LEU A 112 -8.140 5.069 -3.795 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -6.786 3.231 -2.857 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -7.784 4.018 -1.611 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -8.271 2.441 -2.277 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -7.560 3.125 -5.194 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -9.073 2.326 -4.704 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -9.128 3.828 -5.658 1.00 1.54 H new ATOM 1714 N GLY A 113 -12.356 6.527 -2.078 1.00 0.83 N ATOM 1715 CA GLY A 113 -13.678 6.770 -1.513 1.00 0.82 C ATOM 1716 C GLY A 113 -14.111 5.750 -0.486 1.00 0.76 C ATOM 1717 O GLY A 113 -15.305 5.476 -0.330 1.00 0.82 O ATOM 0 H GLY A 113 -11.604 7.006 -1.583 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -13.688 7.758 -1.053 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -14.409 6.787 -2.322 1.00 0.82 H new ATOM 1721 N GLU A 114 -13.127 5.198 0.205 1.00 0.70 N ATOM 1722 CA GLU A 114 -13.327 4.199 1.248 1.00 0.70 C ATOM 1723 C GLU A 114 -14.111 4.771 2.419 1.00 0.73 C ATOM 1724 O GLU A 114 -14.006 5.962 2.726 1.00 0.73 O ATOM 1725 CB GLU A 114 -11.977 3.710 1.731 1.00 0.70 C ATOM 1726 CG GLU A 114 -11.425 2.539 0.927 1.00 0.79 C ATOM 1727 CD GLU A 114 -11.932 1.195 1.418 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -11.278 0.600 2.300 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -12.983 0.739 0.921 1.00 2.12 O ATOM 0 H GLU A 114 -12.146 5.435 0.055 1.00 0.70 H new ATOM 0 HA GLU A 114 -13.901 3.372 0.830 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -11.266 4.535 1.689 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -12.061 3.414 2.777 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -11.697 2.664 -0.121 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -10.336 2.551 0.977 1.00 0.79 H new ATOM 1736 N LYS A 115 -14.888 3.910 3.061 1.00 0.82 N ATOM 1737 CA LYS A 115 -15.719 4.295 4.156 1.00 0.92 C ATOM 1738 C LYS A 115 -15.242 3.721 5.481 1.00 1.06 C ATOM 1739 O LYS A 115 -15.224 2.502 5.690 1.00 1.21 O ATOM 1740 CB LYS A 115 -17.136 3.866 3.866 1.00 1.04 C ATOM 1741 CG LYS A 115 -17.711 4.492 2.594 1.00 1.05 C ATOM 1742 CD LYS A 115 -18.741 3.588 1.922 1.00 1.31 C ATOM 1743 CE LYS A 115 -18.103 2.690 0.867 1.00 1.23 C ATOM 1744 NZ LYS A 115 -19.105 1.805 0.211 1.00 1.56 N ATOM 0 H LYS A 115 -14.949 2.920 2.822 1.00 0.82 H new ATOM 0 HA LYS A 115 -15.668 5.379 4.258 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -17.168 2.780 3.774 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -17.769 4.133 4.712 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -18.174 5.448 2.839 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -16.901 4.700 1.895 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -19.231 2.972 2.676 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -19.515 4.200 1.459 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -17.615 3.307 0.113 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -17.328 2.080 1.330 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -18.631 1.211 -0.499 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -19.553 1.198 0.927 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -19.831 2.387 -0.253 1.00 1.56 H new ATOM 1758 N LEU A 116 -14.844 4.632 6.354 1.00 1.10 N ATOM 1759 CA LEU A 116 -14.354 4.304 7.691 1.00 1.28 C ATOM 1760 C LEU A 116 -15.005 5.215 8.732 1.00 1.19 C ATOM 1761 O LEU A 116 -15.632 6.218 8.374 1.00 1.19 O ATOM 1762 CB LEU A 116 -12.824 4.430 7.741 1.00 1.54 C ATOM 1763 CG LEU A 116 -12.057 3.106 7.650 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -10.722 3.316 6.958 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -11.843 2.510 9.036 1.00 3.12 C ATOM 0 H LEU A 116 -14.851 5.633 6.156 1.00 1.10 H new ATOM 0 HA LEU A 116 -14.622 3.273 7.921 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -12.502 5.075 6.924 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -12.547 4.929 8.669 1.00 1.54 H new ATOM 0 HG LEU A 116 -12.652 2.406 7.062 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -10.189 2.367 6.901 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -10.890 3.699 5.951 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -10.127 4.033 7.524 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -11.297 1.571 8.948 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -11.270 3.207 9.647 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -12.809 2.325 9.506 1.00 3.12 H new ATOM 1777 N THR A 117 -14.855 4.870 10.020 1.00 1.15 N ATOM 1778 CA THR A 117 -15.415 5.684 11.104 1.00 1.08 C ATOM 1779 C THR A 117 -14.444 6.818 11.455 1.00 0.99 C ATOM 1780 O THR A 117 -13.250 6.735 11.147 1.00 0.98 O ATOM 1781 CB THR A 117 -15.725 4.845 12.371 1.00 1.04 C ATOM 1782 OG1 THR A 117 -16.045 3.496 12.006 1.00 1.34 O ATOM 1783 CG2 THR A 117 -16.896 5.437 13.150 1.00 1.40 C ATOM 0 H THR A 117 -14.354 4.038 10.333 1.00 1.15 H new ATOM 0 HA THR A 117 -16.359 6.097 10.749 1.00 1.08 H new ATOM 0 HB THR A 117 -14.836 4.859 13.002 1.00 1.04 H new ATOM 0 HG1 THR A 117 -15.588 2.876 12.612 1.00 1.34 H new ATOM 0 HG21 THR A 117 -17.091 4.828 14.033 1.00 1.40 H new ATOM 0 HG22 THR A 117 -16.652 6.454 13.457 1.00 1.40 H new ATOM 0 HG23 THR A 117 -17.783 5.452 12.517 1.00 1.40 H new ATOM 1791 N ASP A 118 -14.964 7.868 12.101 1.00 1.00 N ATOM 1792 CA ASP A 118 -14.157 9.040 12.481 1.00 1.00 C ATOM 1793 C ASP A 118 -13.003 8.682 13.425 1.00 0.90 C ATOM 1794 O ASP A 118 -11.902 9.222 13.289 1.00 0.96 O ATOM 1795 CB ASP A 118 -15.044 10.108 13.131 1.00 1.07 C ATOM 1796 CG ASP A 118 -15.984 10.770 12.141 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -17.116 10.271 11.971 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -15.587 11.788 11.535 1.00 2.05 O ATOM 0 H ASP A 118 -15.945 7.933 12.374 1.00 1.00 H new ATOM 0 HA ASP A 118 -13.718 9.431 11.563 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -15.628 9.652 13.931 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -14.413 10.868 13.591 1.00 1.07 H new ATOM 1803 N GLU A 119 -13.264 7.774 14.374 1.00 0.82 N ATOM 1804 CA GLU A 119 -12.258 7.351 15.342 1.00 0.81 C ATOM 1805 C GLU A 119 -11.435 6.159 14.865 1.00 0.77 C ATOM 1806 O GLU A 119 -10.266 6.038 15.242 1.00 0.78 O ATOM 1807 CB GLU A 119 -12.900 7.040 16.698 1.00 0.89 C ATOM 1808 CG GLU A 119 -13.351 8.275 17.464 1.00 1.11 C ATOM 1809 CD GLU A 119 -13.977 7.934 18.802 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -15.210 7.740 18.848 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -13.234 7.862 19.804 1.00 2.07 O ATOM 0 H GLU A 119 -14.170 7.319 14.488 1.00 0.82 H new ATOM 0 HA GLU A 119 -11.571 8.190 15.452 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -13.759 6.388 16.541 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -12.187 6.486 17.308 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -12.496 8.931 17.624 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -14.070 8.830 16.861 1.00 1.11 H new ATOM 1818 N GLU A 120 -12.034 5.276 14.044 1.00 0.77 N ATOM 1819 CA GLU A 120 -11.335 4.113 13.516 1.00 0.80 C ATOM 1820 C GLU A 120 -10.089 4.536 12.740 1.00 0.80 C ATOM 1821 O GLU A 120 -9.022 3.939 12.908 1.00 0.81 O ATOM 1822 CB GLU A 120 -12.279 3.298 12.637 1.00 0.97 C ATOM 1823 CG GLU A 120 -13.056 2.236 13.400 1.00 1.21 C ATOM 1824 CD GLU A 120 -13.702 1.206 12.489 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -14.948 1.142 12.456 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -12.961 0.460 11.814 1.00 1.93 O ATOM 0 H GLU A 120 -13.004 5.356 13.737 1.00 0.77 H new ATOM 0 HA GLU A 120 -11.009 3.489 14.348 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -12.984 3.973 12.151 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -11.702 2.817 11.847 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -12.384 1.730 14.093 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -13.828 2.719 13.999 1.00 1.21 H new ATOM 1833 N VAL A 121 -10.232 5.569 11.894 1.00 0.84 N ATOM 1834 CA VAL A 121 -9.128 6.100 11.153 1.00 0.92 C ATOM 1835 C VAL A 121 -8.343 7.138 11.958 1.00 0.88 C ATOM 1836 O VAL A 121 -7.203 7.432 11.614 1.00 0.93 O ATOM 1837 CB VAL A 121 -9.558 6.633 9.772 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -9.697 8.129 9.755 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -8.548 6.194 8.750 1.00 2.24 C ATOM 0 H VAL A 121 -11.119 6.042 11.721 1.00 0.84 H new ATOM 0 HA VAL A 121 -8.446 5.271 10.965 1.00 0.92 H new ATOM 0 HB VAL A 121 -10.541 6.224 9.538 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -10.001 8.455 8.760 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -10.450 8.433 10.483 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -8.741 8.586 10.010 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -8.840 6.564 7.767 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -7.568 6.593 9.012 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -8.502 5.105 8.728 1.00 2.24 H new ATOM 1849 N ASP A 122 -8.955 7.695 13.023 1.00 0.86 N ATOM 1850 CA ASP A 122 -8.263 8.680 13.863 1.00 0.95 C ATOM 1851 C ASP A 122 -7.176 7.992 14.686 1.00 0.84 C ATOM 1852 O ASP A 122 -6.223 8.628 15.142 1.00 0.89 O ATOM 1853 CB ASP A 122 -9.248 9.425 14.770 1.00 1.08 C ATOM 1854 CG ASP A 122 -8.751 10.804 15.170 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -8.069 10.910 16.211 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -9.044 11.775 14.442 1.00 1.76 O ATOM 0 H ASP A 122 -9.909 7.482 13.314 1.00 0.86 H new ATOM 0 HA ASP A 122 -7.795 9.419 13.213 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -10.205 9.523 14.257 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -9.427 8.834 15.668 1.00 1.08 H new ATOM 1861 N GLU A 123 -7.361 6.688 14.881 1.00 0.75 N ATOM 1862 CA GLU A 123 -6.404 5.856 15.578 1.00 0.73 C ATOM 1863 C GLU A 123 -5.370 5.334 14.597 1.00 0.65 C ATOM 1864 O GLU A 123 -4.180 5.313 14.905 1.00 0.65 O ATOM 1865 CB GLU A 123 -7.100 4.698 16.310 1.00 0.78 C ATOM 1866 CG GLU A 123 -7.519 5.023 17.741 1.00 0.92 C ATOM 1867 CD GLU A 123 -8.772 5.879 17.820 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -8.643 7.121 17.832 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -9.881 5.305 17.868 1.00 1.87 O ATOM 0 H GLU A 123 -8.186 6.184 14.555 1.00 0.75 H new ATOM 0 HA GLU A 123 -5.902 6.461 16.333 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -7.983 4.403 15.743 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -6.430 3.838 16.326 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -7.688 4.093 18.283 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -6.701 5.540 18.243 1.00 0.92 H new ATOM 1876 N MET A 124 -5.837 4.934 13.398 1.00 0.63 N ATOM 1877 CA MET A 124 -4.947 4.455 12.331 1.00 0.64 C ATOM 1878 C MET A 124 -4.106 5.617 11.822 1.00 0.64 C ATOM 1879 O MET A 124 -3.033 5.424 11.243 1.00 0.67 O ATOM 1880 CB MET A 124 -5.727 3.824 11.167 1.00 0.70 C ATOM 1881 CG MET A 124 -6.610 2.650 11.564 1.00 1.18 C ATOM 1882 SD MET A 124 -7.279 1.771 10.139 1.00 2.12 S ATOM 1883 CE MET A 124 -8.241 0.495 10.948 1.00 2.40 C ATOM 0 H MET A 124 -6.826 4.934 13.148 1.00 0.63 H new ATOM 0 HA MET A 124 -4.306 3.679 12.749 1.00 0.64 H new ATOM 0 HB2 MET A 124 -6.349 4.591 10.705 1.00 0.70 H new ATOM 0 HB3 MET A 124 -5.018 3.490 10.410 1.00 0.70 H new ATOM 0 HG2 MET A 124 -6.033 1.957 12.175 1.00 1.18 H new ATOM 0 HG3 MET A 124 -7.432 3.011 12.182 1.00 1.18 H new ATOM 0 HE1 MET A 124 -8.718 -0.133 10.196 1.00 2.40 H new ATOM 0 HE2 MET A 124 -7.586 -0.116 11.568 1.00 2.40 H new ATOM 0 HE3 MET A 124 -9.005 0.957 11.573 1.00 2.40 H new ATOM 1893 N ILE A 125 -4.629 6.828 12.055 1.00 0.65 N ATOM 1894 CA ILE A 125 -3.957 8.059 11.695 1.00 0.70 C ATOM 1895 C ILE A 125 -2.927 8.390 12.776 1.00 0.66 C ATOM 1896 O ILE A 125 -1.841 8.898 12.483 1.00 0.68 O ATOM 1897 CB ILE A 125 -4.984 9.217 11.545 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -4.669 10.083 10.324 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -5.060 10.089 12.799 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -5.437 9.679 9.085 1.00 0.70 C ATOM 0 H ILE A 125 -5.535 6.970 12.501 1.00 0.65 H new ATOM 0 HA ILE A 125 -3.454 7.935 10.736 1.00 0.70 H new ATOM 0 HB ILE A 125 -5.959 8.750 11.404 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -4.894 11.123 10.558 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -3.601 10.027 10.114 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -5.790 10.884 12.646 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -5.362 9.478 13.649 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -4.082 10.528 12.997 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -5.165 10.335 8.258 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -5.194 8.649 8.826 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -6.507 9.762 9.277 1.00 0.70 H new ATOM 1912 N ARG A 126 -3.302 8.085 14.039 1.00 0.65 N ATOM 1913 CA ARG A 126 -2.436 8.341 15.179 1.00 0.68 C ATOM 1914 C ARG A 126 -1.400 7.263 15.374 1.00 0.64 C ATOM 1915 O ARG A 126 -0.451 7.408 16.152 1.00 0.69 O ATOM 1916 CB ARG A 126 -3.230 8.607 16.462 1.00 0.76 C ATOM 1917 CG ARG A 126 -3.852 9.994 16.519 1.00 1.02 C ATOM 1918 CD ARG A 126 -4.561 10.233 17.843 1.00 1.07 C ATOM 1919 NE ARG A 126 -5.147 11.576 17.919 1.00 1.63 N ATOM 1920 CZ ARG A 126 -5.537 12.176 19.053 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -5.415 11.568 20.232 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -6.055 13.396 19.003 1.00 2.58 N ATOM 0 H ARG A 126 -4.199 7.663 14.279 1.00 0.65 H new ATOM 0 HA ARG A 126 -1.892 9.256 14.946 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -4.019 7.860 16.552 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -2.570 8.479 17.320 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -3.077 10.747 16.379 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -4.561 10.110 15.699 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -5.345 9.487 17.974 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -3.854 10.099 18.662 1.00 1.07 H new ATOM 0 HE ARG A 126 -5.266 12.090 17.046 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -5.019 10.629 20.283 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -5.717 12.041 21.084 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -6.154 13.871 18.106 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -6.354 13.859 19.861 1.00 2.58 H new ATOM 1936 N GLU A 127 -1.608 6.194 14.647 1.00 0.59 N ATOM 1937 CA GLU A 127 -0.701 5.047 14.632 1.00 0.59 C ATOM 1938 C GLU A 127 0.558 5.408 13.835 1.00 0.59 C ATOM 1939 O GLU A 127 1.501 4.616 13.740 1.00 0.63 O ATOM 1940 CB GLU A 127 -1.387 3.826 14.015 1.00 0.61 C ATOM 1941 CG GLU A 127 -2.293 3.075 14.982 1.00 0.66 C ATOM 1942 CD GLU A 127 -2.884 1.817 14.377 1.00 1.28 C ATOM 1943 OE1 GLU A 127 -3.728 1.935 13.462 1.00 1.91 O ATOM 1944 OE2 GLU A 127 -2.509 0.713 14.821 1.00 2.06 O ATOM 0 H GLU A 127 -2.418 6.083 14.038 1.00 0.59 H new ATOM 0 HA GLU A 127 -0.423 4.798 15.656 1.00 0.59 H new ATOM 0 HB2 GLU A 127 -1.976 4.147 13.156 1.00 0.61 H new ATOM 0 HB3 GLU A 127 -0.624 3.143 13.641 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -1.725 2.811 15.874 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -3.101 3.733 15.301 1.00 0.66 H new ATOM 1951 N ALA A 128 0.550 6.636 13.274 1.00 0.59 N ATOM 1952 CA ALA A 128 1.663 7.139 12.463 1.00 0.64 C ATOM 1953 C ALA A 128 1.947 8.627 12.723 1.00 0.63 C ATOM 1954 O ALA A 128 2.749 9.241 12.007 1.00 0.65 O ATOM 1955 CB ALA A 128 1.376 6.911 10.982 1.00 0.72 C ATOM 0 H ALA A 128 -0.222 7.295 13.373 1.00 0.59 H new ATOM 0 HA ALA A 128 2.554 6.583 12.753 1.00 0.64 H new ATOM 0 HB1 ALA A 128 2.208 7.288 10.388 1.00 0.72 H new ATOM 0 HB2 ALA A 128 1.251 5.844 10.796 1.00 0.72 H new ATOM 0 HB3 ALA A 128 0.463 7.438 10.703 1.00 0.72 H new ATOM 1961 N ALA A 129 1.310 9.208 13.761 1.00 0.67 N ATOM 1962 CA ALA A 129 1.509 10.627 14.099 1.00 0.72 C ATOM 1963 C ALA A 129 2.958 10.909 14.497 1.00 0.77 C ATOM 1964 O ALA A 129 3.429 10.459 15.549 1.00 0.86 O ATOM 1965 CB ALA A 129 0.562 11.063 15.213 1.00 0.83 C ATOM 0 H ALA A 129 0.659 8.718 14.374 1.00 0.67 H new ATOM 0 HA ALA A 129 1.283 11.207 13.204 1.00 0.72 H new ATOM 0 HB1 ALA A 129 0.730 12.115 15.443 1.00 0.83 H new ATOM 0 HB2 ALA A 129 -0.469 10.923 14.889 1.00 0.83 H new ATOM 0 HB3 ALA A 129 0.747 10.463 16.104 1.00 0.83 H new ATOM 1971 N ILE A 130 3.655 11.644 13.631 1.00 0.77 N ATOM 1972 CA ILE A 130 5.049 12.008 13.867 1.00 0.87 C ATOM 1973 C ILE A 130 5.152 13.474 14.231 1.00 1.01 C ATOM 1974 O ILE A 130 4.452 14.324 13.676 1.00 1.27 O ATOM 1975 CB ILE A 130 5.980 11.633 12.669 1.00 0.91 C ATOM 1976 CG1 ILE A 130 7.370 12.286 12.754 1.00 1.07 C ATOM 1977 CG2 ILE A 130 5.337 11.934 11.314 1.00 1.28 C ATOM 1978 CD1 ILE A 130 8.406 11.392 13.399 1.00 1.57 C ATOM 0 H ILE A 130 3.273 12.000 12.755 1.00 0.77 H new ATOM 0 HA ILE A 130 5.407 11.420 14.712 1.00 0.87 H new ATOM 0 HB ILE A 130 6.121 10.555 12.749 1.00 0.91 H new ATOM 0 HG12 ILE A 130 7.702 12.552 11.750 1.00 1.07 H new ATOM 0 HG13 ILE A 130 7.295 13.214 13.321 1.00 1.07 H new ATOM 0 HG21 ILE A 130 6.024 11.656 10.515 1.00 1.28 H new ATOM 0 HG22 ILE A 130 4.414 11.363 11.214 1.00 1.28 H new ATOM 0 HG23 ILE A 130 5.114 12.999 11.246 1.00 1.28 H new ATOM 0 HD11 ILE A 130 9.365 11.909 13.429 1.00 1.57 H new ATOM 0 HD12 ILE A 130 8.094 11.147 14.414 1.00 1.57 H new ATOM 0 HD13 ILE A 130 8.507 10.475 12.819 1.00 1.57 H new ATOM 1990 N ASP A 131 6.088 13.736 15.148 1.00 1.22 N ATOM 1991 CA ASP A 131 6.363 15.081 15.717 1.00 1.45 C ATOM 1992 C ASP A 131 5.144 15.687 16.444 1.00 1.44 C ATOM 1993 O ASP A 131 5.291 16.405 17.437 1.00 1.64 O ATOM 1994 CB ASP A 131 6.863 16.023 14.619 1.00 1.64 C ATOM 1995 CG ASP A 131 7.722 17.158 15.150 1.00 2.27 C ATOM 1996 OD1 ASP A 131 7.161 18.225 15.477 1.00 2.70 O ATOM 1997 OD2 ASP A 131 8.955 16.979 15.238 1.00 2.90 O ATOM 0 H ASP A 131 6.695 13.011 15.531 1.00 1.22 H new ATOM 0 HA ASP A 131 7.140 14.958 16.471 1.00 1.45 H new ATOM 0 HB2 ASP A 131 7.438 15.450 13.892 1.00 1.64 H new ATOM 0 HB3 ASP A 131 6.007 16.441 14.090 1.00 1.64 H new ATOM 2002 N GLY A 132 3.965 15.379 15.923 1.00 1.31 N ATOM 2003 CA GLY A 132 2.703 15.859 16.469 1.00 1.35 C ATOM 2004 C GLY A 132 1.756 16.338 15.382 1.00 1.46 C ATOM 2005 O GLY A 132 0.534 16.260 15.542 1.00 1.75 O ATOM 0 H GLY A 132 3.856 14.784 15.102 1.00 1.31 H new ATOM 0 HA2 GLY A 132 2.227 15.060 17.038 1.00 1.35 H new ATOM 0 HA3 GLY A 132 2.897 16.674 17.166 1.00 1.35 H new ATOM 2009 N ASP A 133 2.329 16.834 14.274 1.00 1.34 N ATOM 2010 CA ASP A 133 1.548 17.312 13.126 1.00 1.49 C ATOM 2011 C ASP A 133 1.281 16.161 12.152 1.00 1.37 C ATOM 2012 O ASP A 133 0.175 16.034 11.619 1.00 1.69 O ATOM 2013 CB ASP A 133 2.280 18.453 12.410 1.00 1.52 C ATOM 2014 CG ASP A 133 2.319 19.729 13.231 1.00 1.94 C ATOM 2015 OD1 ASP A 133 1.385 20.548 13.100 1.00 2.14 O ATOM 2016 OD2 ASP A 133 3.283 19.908 14.005 1.00 2.60 O ATOM 0 H ASP A 133 3.338 16.914 14.150 1.00 1.34 H new ATOM 0 HA ASP A 133 0.595 17.692 13.493 1.00 1.49 H new ATOM 0 HB2 ASP A 133 3.299 18.140 12.184 1.00 1.52 H new ATOM 0 HB3 ASP A 133 1.789 18.653 11.458 1.00 1.52 H new ATOM 2021 N GLY A 134 2.312 15.332 11.933 1.00 1.04 N ATOM 2022 CA GLY A 134 2.193 14.177 11.054 1.00 1.15 C ATOM 2023 C GLY A 134 2.834 14.360 9.687 1.00 1.03 C ATOM 2024 O GLY A 134 3.041 13.372 8.979 1.00 1.25 O ATOM 0 H GLY A 134 3.233 15.446 12.355 1.00 1.04 H new ATOM 0 HA2 GLY A 134 2.648 13.315 11.543 1.00 1.15 H new ATOM 0 HA3 GLY A 134 1.136 13.946 10.919 1.00 1.15 H new ATOM 2028 N GLN A 135 3.186 15.606 9.322 1.00 0.84 N ATOM 2029 CA GLN A 135 3.798 15.889 8.009 1.00 0.77 C ATOM 2030 C GLN A 135 5.228 15.365 7.917 1.00 0.74 C ATOM 2031 O GLN A 135 6.076 15.691 8.753 1.00 0.80 O ATOM 2032 CB GLN A 135 3.717 17.382 7.648 1.00 0.80 C ATOM 2033 CG GLN A 135 4.165 18.350 8.744 1.00 1.03 C ATOM 2034 CD GLN A 135 4.051 19.802 8.322 1.00 1.40 C ATOM 2035 OE1 GLN A 135 3.018 20.439 8.522 1.00 2.05 O ATOM 2036 NE2 GLN A 135 5.117 20.332 7.733 1.00 1.98 N ATOM 0 H GLN A 135 3.059 16.428 9.912 1.00 0.84 H new ATOM 0 HA GLN A 135 3.212 15.346 7.268 1.00 0.77 H new ATOM 0 HB2 GLN A 135 4.327 17.557 6.762 1.00 0.80 H new ATOM 0 HB3 GLN A 135 2.687 17.617 7.378 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.562 18.187 9.637 1.00 1.03 H new ATOM 0 HG3 GLN A 135 5.199 18.134 9.014 1.00 1.03 H new ATOM 0 HE21 GLN A 135 5.953 19.766 7.587 1.00 1.98 H new ATOM 0 HE22 GLN A 135 5.099 21.305 7.426 1.00 1.98 H new ATOM 2045 N VAL A 136 5.473 14.547 6.881 1.00 0.69 N ATOM 2046 CA VAL A 136 6.804 13.921 6.683 1.00 0.68 C ATOM 2047 C VAL A 136 7.078 13.552 5.224 1.00 0.64 C ATOM 2048 O VAL A 136 6.216 12.999 4.549 1.00 0.67 O ATOM 2049 CB VAL A 136 7.002 12.649 7.559 1.00 0.75 C ATOM 2050 CG1 VAL A 136 7.621 13.019 8.897 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.689 11.891 7.771 1.00 0.88 C ATOM 0 H VAL A 136 4.782 14.302 6.172 1.00 0.69 H new ATOM 0 HA VAL A 136 7.515 14.687 6.993 1.00 0.68 H new ATOM 0 HB VAL A 136 7.680 11.985 7.023 1.00 0.75 H new ATOM 0 HG11 VAL A 136 7.753 12.119 9.498 1.00 0.91 H new ATOM 0 HG12 VAL A 136 8.590 13.491 8.732 1.00 0.91 H new ATOM 0 HG13 VAL A 136 6.965 13.713 9.422 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.872 11.011 8.387 1.00 0.88 H new ATOM 0 HG22 VAL A 136 4.970 12.541 8.271 1.00 0.88 H new ATOM 0 HG23 VAL A 136 5.288 11.581 6.806 1.00 0.88 H new ATOM 2061 N ASN A 137 8.303 13.849 4.768 1.00 0.63 N ATOM 2062 CA ASN A 137 8.738 13.575 3.394 1.00 0.62 C ATOM 2063 C ASN A 137 9.365 12.178 3.208 1.00 0.59 C ATOM 2064 O ASN A 137 9.257 11.301 4.068 1.00 0.59 O ATOM 2065 CB ASN A 137 9.731 14.672 2.948 1.00 0.66 C ATOM 2066 CG ASN A 137 10.889 14.907 3.918 1.00 0.80 C ATOM 2067 OD1 ASN A 137 11.375 13.981 4.571 1.00 1.18 O ATOM 2068 ND2 ASN A 137 11.332 16.156 4.013 1.00 1.45 N ATOM 0 H ASN A 137 9.021 14.287 5.345 1.00 0.63 H new ATOM 0 HA ASN A 137 7.845 13.586 2.768 1.00 0.62 H new ATOM 0 HB2 ASN A 137 10.138 14.402 1.974 1.00 0.66 H new ATOM 0 HB3 ASN A 137 9.186 15.607 2.818 1.00 0.66 H new ATOM 0 HD21 ASN A 137 12.102 16.377 4.644 1.00 1.45 H new ATOM 0 HD22 ASN A 137 10.902 16.893 3.455 1.00 1.45 H new ATOM 2075 N TYR A 138 10.010 12.021 2.035 1.00 0.62 N ATOM 2076 CA TYR A 138 10.715 10.813 1.566 1.00 0.66 C ATOM 2077 C TYR A 138 11.563 10.091 2.636 1.00 0.61 C ATOM 2078 O TYR A 138 11.878 8.913 2.470 1.00 0.67 O ATOM 2079 CB TYR A 138 11.584 11.264 0.380 1.00 0.75 C ATOM 2080 CG TYR A 138 12.268 10.160 -0.416 1.00 1.21 C ATOM 2081 CD1 TYR A 138 11.738 9.709 -1.618 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.455 9.588 0.030 1.00 2.03 C ATOM 2083 CE1 TYR A 138 12.370 8.718 -2.348 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.089 8.597 -0.693 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.543 8.166 -1.881 1.00 2.81 C ATOM 2086 OH TYR A 138 14.172 7.181 -2.607 1.00 3.66 O ATOM 0 H TYR A 138 10.055 12.777 1.351 1.00 0.62 H new ATOM 0 HA TYR A 138 9.975 10.063 1.287 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.959 11.840 -0.302 1.00 0.75 H new ATOM 0 HB3 TYR A 138 12.352 11.940 0.756 1.00 0.75 H new ATOM 0 HD1 TYR A 138 10.819 10.138 -1.988 1.00 1.93 H new ATOM 0 HD2 TYR A 138 13.889 9.925 0.960 1.00 2.03 H new ATOM 0 HE1 TYR A 138 11.945 8.378 -3.281 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.008 8.162 -0.329 1.00 2.76 H new ATOM 0 HH TYR A 138 14.987 6.900 -2.140 1.00 3.66 H new ATOM 2096 N GLU A 139 11.931 10.786 3.716 1.00 0.57 N ATOM 2097 CA GLU A 139 12.756 10.195 4.781 1.00 0.60 C ATOM 2098 C GLU A 139 12.070 9.004 5.482 1.00 0.54 C ATOM 2099 O GLU A 139 12.626 7.901 5.510 1.00 0.57 O ATOM 2100 CB GLU A 139 13.141 11.266 5.813 1.00 0.68 C ATOM 2101 CG GLU A 139 14.187 12.253 5.315 1.00 0.89 C ATOM 2102 CD GLU A 139 14.542 13.299 6.354 1.00 1.36 C ATOM 2103 OE1 GLU A 139 13.880 14.358 6.380 1.00 2.24 O ATOM 2104 OE2 GLU A 139 15.481 13.060 7.141 1.00 1.61 O ATOM 0 H GLU A 139 11.672 11.759 3.879 1.00 0.57 H new ATOM 0 HA GLU A 139 13.655 9.806 4.302 1.00 0.60 H new ATOM 0 HB2 GLU A 139 12.246 11.816 6.103 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.517 10.774 6.710 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.088 11.709 5.030 1.00 0.89 H new ATOM 0 HG3 GLU A 139 13.816 12.748 4.418 1.00 0.89 H new ATOM 2111 N GLU A 140 10.872 9.234 6.039 1.00 0.51 N ATOM 2112 CA GLU A 140 10.133 8.193 6.770 1.00 0.52 C ATOM 2113 C GLU A 140 9.176 7.367 5.904 1.00 0.47 C ATOM 2114 O GLU A 140 9.205 6.134 5.967 1.00 0.49 O ATOM 2115 CB GLU A 140 9.367 8.820 7.940 1.00 0.59 C ATOM 2116 CG GLU A 140 10.247 9.173 9.130 1.00 1.02 C ATOM 2117 CD GLU A 140 9.459 9.759 10.285 1.00 1.31 C ATOM 2118 OE1 GLU A 140 8.899 8.975 11.080 1.00 1.91 O ATOM 2119 OE2 GLU A 140 9.402 11.002 10.395 1.00 2.02 O ATOM 0 H GLU A 140 10.393 10.134 5.997 1.00 0.51 H new ATOM 0 HA GLU A 140 10.886 7.493 7.132 1.00 0.52 H new ATOM 0 HB2 GLU A 140 8.864 9.722 7.591 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.591 8.128 8.266 1.00 0.59 H new ATOM 0 HG2 GLU A 140 10.770 8.278 9.469 1.00 1.02 H new ATOM 0 HG3 GLU A 140 11.008 9.887 8.815 1.00 1.02 H new ATOM 2126 N PHE A 141 8.332 8.036 5.098 1.00 0.45 N ATOM 2127 CA PHE A 141 7.332 7.343 4.255 1.00 0.43 C ATOM 2128 C PHE A 141 7.945 6.360 3.248 1.00 0.41 C ATOM 2129 O PHE A 141 7.239 5.498 2.717 1.00 0.44 O ATOM 2130 CB PHE A 141 6.439 8.355 3.542 1.00 0.45 C ATOM 2131 CG PHE A 141 5.081 8.486 4.174 1.00 0.69 C ATOM 2132 CD1 PHE A 141 4.899 9.251 5.318 1.00 1.33 C ATOM 2133 CD2 PHE A 141 3.985 7.842 3.624 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.651 9.370 5.898 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.736 7.958 4.200 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.568 8.723 5.337 1.00 1.54 C ATOM 0 H PHE A 141 8.320 9.052 5.010 1.00 0.45 H new ATOM 0 HA PHE A 141 6.730 6.740 4.935 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.930 9.328 3.542 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.322 8.058 2.500 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.743 9.759 5.760 1.00 1.33 H new ATOM 0 HD2 PHE A 141 4.109 7.242 2.734 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.523 9.968 6.788 1.00 1.59 H new ATOM 0 HE2 PHE A 141 1.890 7.450 3.761 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.591 8.815 5.787 1.00 1.54 H new ATOM 2146 N VAL A 142 9.251 6.497 2.993 1.00 0.42 N ATOM 2147 CA VAL A 142 9.972 5.592 2.095 1.00 0.44 C ATOM 2148 C VAL A 142 10.377 4.342 2.843 1.00 0.46 C ATOM 2149 O VAL A 142 10.261 3.243 2.310 1.00 0.48 O ATOM 2150 CB VAL A 142 11.230 6.258 1.516 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.362 5.260 1.272 1.00 0.53 C ATOM 2152 CG2 VAL A 142 10.900 7.023 0.244 1.00 0.50 C ATOM 0 H VAL A 142 9.832 7.231 3.399 1.00 0.42 H new ATOM 0 HA VAL A 142 9.303 5.339 1.272 1.00 0.44 H new ATOM 0 HB VAL A 142 11.587 6.964 2.266 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.226 5.783 0.863 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.638 4.785 2.214 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.030 4.499 0.565 1.00 0.53 H new ATOM 0 HG21 VAL A 142 11.806 7.486 -0.148 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.493 6.336 -0.498 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.164 7.796 0.465 1.00 0.50 H new ATOM 2162 N GLN A 143 10.870 4.532 4.079 1.00 0.49 N ATOM 2163 CA GLN A 143 11.298 3.427 4.930 1.00 0.54 C ATOM 2164 C GLN A 143 10.167 2.414 5.099 1.00 0.52 C ATOM 2165 O GLN A 143 10.409 1.219 5.286 1.00 0.57 O ATOM 2166 CB GLN A 143 11.747 3.974 6.279 1.00 0.59 C ATOM 2167 CG GLN A 143 12.791 3.119 6.988 1.00 0.64 C ATOM 2168 CD GLN A 143 13.209 3.700 8.325 1.00 0.89 C ATOM 2169 OE1 GLN A 143 14.155 4.483 8.406 1.00 1.62 O ATOM 2170 NE2 GLN A 143 12.503 3.318 9.383 1.00 1.55 N ATOM 0 H GLN A 143 10.979 5.452 4.507 1.00 0.49 H new ATOM 0 HA GLN A 143 12.137 2.912 4.461 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.152 4.976 6.135 1.00 0.59 H new ATOM 0 HB3 GLN A 143 10.875 4.073 6.926 1.00 0.59 H new ATOM 0 HG2 GLN A 143 12.392 2.116 7.140 1.00 0.64 H new ATOM 0 HG3 GLN A 143 13.668 3.019 6.349 1.00 0.64 H new ATOM 0 HE21 GLN A 143 11.726 2.667 9.270 1.00 1.55 H new ATOM 0 HE22 GLN A 143 12.737 3.676 10.309 1.00 1.55 H new ATOM 2179 N MET A 144 8.930 2.929 5.035 1.00 0.49 N ATOM 2180 CA MET A 144 7.727 2.112 5.081 1.00 0.49 C ATOM 2181 C MET A 144 7.773 1.117 3.914 1.00 0.51 C ATOM 2182 O MET A 144 7.368 -0.041 4.052 1.00 0.58 O ATOM 2183 CB MET A 144 6.481 3.016 4.962 1.00 0.52 C ATOM 2184 CG MET A 144 5.150 2.336 5.297 1.00 0.93 C ATOM 2185 SD MET A 144 4.777 2.360 7.064 1.00 2.33 S ATOM 2186 CE MET A 144 4.170 4.034 7.276 1.00 3.20 C ATOM 0 H MET A 144 8.745 3.928 4.950 1.00 0.49 H new ATOM 0 HA MET A 144 7.673 1.570 6.025 1.00 0.49 H new ATOM 0 HB2 MET A 144 6.609 3.874 5.622 1.00 0.52 H new ATOM 0 HB3 MET A 144 6.428 3.402 3.944 1.00 0.52 H new ATOM 0 HG2 MET A 144 4.346 2.833 4.754 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.178 1.303 4.950 1.00 0.93 H new ATOM 0 HE1 MET A 144 3.851 4.177 8.308 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.965 4.742 7.040 1.00 3.20 H new ATOM 0 HE3 MET A 144 3.325 4.202 6.608 1.00 3.20 H new ATOM 2196 N MET A 145 8.278 1.605 2.763 1.00 0.49 N ATOM 2197 CA MET A 145 8.390 0.786 1.560 1.00 0.56 C ATOM 2198 C MET A 145 9.761 0.096 1.427 1.00 0.62 C ATOM 2199 O MET A 145 9.824 -1.044 0.958 1.00 0.75 O ATOM 2200 CB MET A 145 8.091 1.631 0.320 1.00 0.58 C ATOM 2201 CG MET A 145 7.609 0.823 -0.886 1.00 1.52 C ATOM 2202 SD MET A 145 8.910 -0.168 -1.648 1.00 2.50 S ATOM 2203 CE MET A 145 7.954 -1.143 -2.807 1.00 3.22 C ATOM 0 H MET A 145 8.612 2.562 2.651 1.00 0.49 H new ATOM 0 HA MET A 145 7.651 -0.010 1.647 1.00 0.56 H new ATOM 0 HB2 MET A 145 7.333 2.372 0.573 1.00 0.58 H new ATOM 0 HB3 MET A 145 8.991 2.178 0.041 1.00 0.58 H new ATOM 0 HG2 MET A 145 6.797 0.166 -0.573 1.00 1.52 H new ATOM 0 HG3 MET A 145 7.198 1.505 -1.631 1.00 1.52 H new ATOM 0 HE1 MET A 145 7.974 -2.190 -2.505 1.00 3.22 H new ATOM 0 HE2 MET A 145 6.923 -0.788 -2.817 1.00 3.22 H new ATOM 0 HE3 MET A 145 8.382 -1.045 -3.805 1.00 3.22 H new ATOM 2213 N THR A 146 10.856 0.772 1.844 1.00 0.59 N ATOM 2214 CA THR A 146 12.202 0.218 1.700 1.00 0.68 C ATOM 2215 C THR A 146 12.476 -0.952 2.653 1.00 0.78 C ATOM 2216 O THR A 146 13.303 -1.820 2.355 1.00 0.89 O ATOM 2217 CB THR A 146 13.295 1.282 1.925 1.00 0.69 C ATOM 2218 OG1 THR A 146 12.747 2.468 2.502 1.00 0.63 O ATOM 2219 CG2 THR A 146 13.998 1.626 0.619 1.00 0.71 C ATOM 0 H THR A 146 10.824 1.694 2.278 1.00 0.59 H new ATOM 0 HA THR A 146 12.241 -0.145 0.673 1.00 0.68 H new ATOM 0 HB THR A 146 14.023 0.859 2.617 1.00 0.69 H new ATOM 0 HG1 THR A 146 13.460 2.979 2.939 1.00 0.63 H new ATOM 0 HG21 THR A 146 14.764 2.379 0.805 1.00 0.71 H new ATOM 0 HG22 THR A 146 14.462 0.729 0.209 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.271 2.017 -0.093 1.00 0.71 H new ATOM 2227 N ALA A 147 11.775 -0.962 3.793 1.00 0.77 N ATOM 2228 CA ALA A 147 11.920 -2.006 4.798 1.00 0.88 C ATOM 2229 C ALA A 147 10.980 -3.182 4.535 1.00 0.94 C ATOM 2230 O ALA A 147 9.900 -3.006 3.964 1.00 0.91 O ATOM 2231 CB ALA A 147 11.677 -1.435 6.188 1.00 0.90 C ATOM 0 H ALA A 147 11.093 -0.244 4.039 1.00 0.77 H new ATOM 0 HA ALA A 147 12.941 -2.383 4.738 1.00 0.88 H new ATOM 0 HB1 ALA A 147 11.788 -2.225 6.931 1.00 0.90 H new ATOM 0 HB2 ALA A 147 12.400 -0.645 6.388 1.00 0.90 H new ATOM 0 HB3 ALA A 147 10.668 -1.026 6.242 1.00 0.90 H new ATOM 2237 N LYS A 148 11.407 -4.375 4.961 1.00 1.08 N ATOM 2238 CA LYS A 148 10.618 -5.599 4.783 1.00 1.19 C ATOM 2239 C LYS A 148 10.360 -6.283 6.126 1.00 1.63 C ATOM 2240 O LYS A 148 9.178 -6.384 6.517 1.00 2.21 O ATOM 2241 CB LYS A 148 11.289 -6.587 3.794 1.00 1.53 C ATOM 2242 CG LYS A 148 12.817 -6.637 3.847 1.00 2.17 C ATOM 2243 CD LYS A 148 13.428 -5.573 2.949 1.00 2.29 C ATOM 2244 CE LYS A 148 14.927 -5.442 3.170 1.00 3.11 C ATOM 2245 NZ LYS A 148 15.528 -4.400 2.293 1.00 3.56 N ATOM 2246 OXT LYS A 148 11.340 -6.702 6.780 1.00 2.14 O ATOM 0 H LYS A 148 12.299 -4.520 5.434 1.00 1.08 H new ATOM 0 HA LYS A 148 9.662 -5.301 4.352 1.00 1.19 H new ATOM 0 HB2 LYS A 148 10.903 -7.588 3.990 1.00 1.53 H new ATOM 0 HB3 LYS A 148 10.987 -6.321 2.781 1.00 1.53 H new ATOM 0 HG2 LYS A 148 13.154 -6.489 4.873 1.00 2.17 H new ATOM 0 HG3 LYS A 148 13.163 -7.623 3.536 1.00 2.17 H new ATOM 0 HD2 LYS A 148 13.235 -5.823 1.906 1.00 2.29 H new ATOM 0 HD3 LYS A 148 12.947 -4.614 3.142 1.00 2.29 H new ATOM 0 HE2 LYS A 148 15.120 -5.194 4.214 1.00 3.11 H new ATOM 0 HE3 LYS A 148 15.408 -6.401 2.977 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 16.450 -4.112 2.678 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 15.658 -4.785 1.336 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 14.897 -3.575 2.252 1.00 3.56 H new TER 2260 LYS A 148 ATOM 2261 N ALA B 503 24.424 -1.667 28.801 1.00 0.00 N ATOM 2262 CA ALA B 503 25.219 -0.427 29.009 1.00 0.00 C ATOM 2263 C ALA B 503 24.563 0.488 30.044 1.00 0.00 C ATOM 2264 O ALA B 503 25.253 1.067 30.890 1.00 0.00 O ATOM 2265 CB ALA B 503 25.402 0.309 27.689 1.00 0.00 C ATOM 0 HA ALA B 503 26.198 -0.715 29.392 1.00 0.00 H new ATOM 0 HB1 ALA B 503 25.985 1.215 27.855 1.00 0.00 H new ATOM 0 HB2 ALA B 503 25.925 -0.335 26.983 1.00 0.00 H new ATOM 0 HB3 ALA B 503 24.426 0.575 27.283 1.00 0.00 H new ATOM 2273 N GLY B 504 23.231 0.612 29.968 1.00 0.00 N ATOM 2274 CA GLY B 504 22.492 1.455 30.897 1.00 0.00 C ATOM 2275 C GLY B 504 21.170 0.839 31.313 1.00 0.00 C ATOM 2276 O GLY B 504 21.146 -0.118 32.093 1.00 0.00 O ATOM 0 H GLY B 504 22.652 0.139 29.274 1.00 0.00 H new ATOM 0 HA2 GLY B 504 23.101 1.634 31.783 1.00 0.00 H new ATOM 0 HA3 GLY B 504 22.308 2.425 30.435 1.00 0.00 H new ATOM 2280 N HIS B 505 20.073 1.395 30.788 1.00 0.00 N ATOM 2281 CA HIS B 505 18.728 0.910 31.096 1.00 0.00 C ATOM 2282 C HIS B 505 17.952 0.626 29.811 1.00 0.00 C ATOM 2283 O HIS B 505 18.098 1.347 28.819 1.00 0.00 O ATOM 2284 CB HIS B 505 17.980 1.938 31.953 1.00 0.00 C ATOM 2285 CG HIS B 505 16.901 1.346 32.811 1.00 0.00 C ATOM 2286 ND1 HIS B 505 17.061 1.098 34.159 1.00 0.00 N ATOM 2287 CD2 HIS B 505 15.640 0.955 32.506 1.00 0.00 C ATOM 2288 CE1 HIS B 505 15.947 0.580 34.645 1.00 0.00 C ATOM 2289 NE2 HIS B 505 15.070 0.484 33.663 1.00 0.00 N ATOM 0 H HIS B 505 20.093 2.186 30.144 1.00 0.00 H new ATOM 0 HA HIS B 505 18.815 -0.020 31.658 1.00 0.00 H new ATOM 0 HB2 HIS B 505 18.697 2.454 32.592 1.00 0.00 H new ATOM 0 HB3 HIS B 505 17.538 2.689 31.298 1.00 0.00 H new ATOM 0 HD2 HIS B 505 15.171 1.005 31.534 1.00 0.00 H new ATOM 0 HE1 HIS B 505 15.782 0.285 35.671 1.00 0.00 H new ATOM 0 HE2 HIS B 505 14.122 0.119 33.750 1.00 0.00 H new ATOM 2298 N MET B 506 17.131 -0.428 29.845 1.00 0.00 N ATOM 2299 CA MET B 506 16.320 -0.826 28.690 1.00 0.00 C ATOM 2300 C MET B 506 14.850 -0.448 28.892 1.00 0.00 C ATOM 2301 O MET B 506 14.350 -0.455 30.021 1.00 0.00 O ATOM 2302 CB MET B 506 16.461 -2.339 28.405 1.00 0.00 C ATOM 2303 CG MET B 506 16.243 -3.257 29.612 1.00 0.00 C ATOM 2304 SD MET B 506 16.439 -5.002 29.201 1.00 0.00 S ATOM 2305 CE MET B 506 16.134 -5.761 30.794 1.00 0.00 C ATOM 0 H MET B 506 17.010 -1.024 30.664 1.00 0.00 H new ATOM 0 HA MET B 506 16.693 -0.282 27.822 1.00 0.00 H new ATOM 0 HB2 MET B 506 15.748 -2.613 27.628 1.00 0.00 H new ATOM 0 HB3 MET B 506 17.457 -2.525 28.004 1.00 0.00 H new ATOM 0 HG2 MET B 506 16.950 -2.991 30.398 1.00 0.00 H new ATOM 0 HG3 MET B 506 15.243 -3.092 30.013 1.00 0.00 H new ATOM 0 HE1 MET B 506 16.219 -6.844 30.703 1.00 0.00 H new ATOM 0 HE2 MET B 506 16.866 -5.398 31.516 1.00 0.00 H new ATOM 0 HE3 MET B 506 15.131 -5.503 31.134 1.00 0.00 H new ATOM 2315 N ARG B 507 14.174 -0.121 27.786 1.00 0.00 N ATOM 2316 CA ARG B 507 12.761 0.263 27.818 1.00 0.00 C ATOM 2317 C ARG B 507 11.890 -0.789 27.104 1.00 0.00 C ATOM 2318 O ARG B 507 12.017 -0.961 25.886 1.00 0.00 O ATOM 2319 CB ARG B 507 12.565 1.642 27.172 1.00 0.00 C ATOM 2320 CG ARG B 507 13.056 2.799 28.031 1.00 0.00 C ATOM 2321 CD ARG B 507 12.803 4.139 27.359 1.00 0.00 C ATOM 2322 NE ARG B 507 13.258 5.262 28.186 1.00 0.00 N ATOM 2323 CZ ARG B 507 13.081 6.556 27.881 1.00 0.00 C ATOM 2324 NH1 ARG B 507 12.457 6.922 26.763 1.00 0.00 N ATOM 2325 NH2 ARG B 507 13.535 7.491 28.706 1.00 0.00 N ATOM 0 H ARG B 507 14.586 -0.115 26.853 1.00 0.00 H new ATOM 0 HA ARG B 507 12.448 0.317 28.861 1.00 0.00 H new ATOM 0 HB2 ARG B 507 13.089 1.663 26.217 1.00 0.00 H new ATOM 0 HB3 ARG B 507 11.506 1.785 26.957 1.00 0.00 H new ATOM 0 HG2 ARG B 507 12.553 2.775 28.998 1.00 0.00 H new ATOM 0 HG3 ARG B 507 14.123 2.683 28.224 1.00 0.00 H new ATOM 0 HD2 ARG B 507 13.316 4.165 26.398 1.00 0.00 H new ATOM 0 HD3 ARG B 507 11.738 4.247 27.155 1.00 0.00 H new ATOM 0 HE ARG B 507 13.744 5.043 29.056 1.00 0.00 H new ATOM 0 HH11 ARG B 507 12.104 6.213 26.121 1.00 0.00 H new ATOM 0 HH12 ARG B 507 12.332 7.911 26.549 1.00 0.00 H new ATOM 0 HH21 ARG B 507 14.015 7.224 29.565 1.00 0.00 H new ATOM 0 HH22 ARG B 507 13.404 8.477 28.481 1.00 0.00 H new ATOM 2339 N PRO B 508 10.996 -1.529 27.842 1.00 0.00 N ATOM 2340 CA PRO B 508 10.113 -2.553 27.234 1.00 0.00 C ATOM 2341 C PRO B 508 8.988 -1.963 26.369 1.00 0.00 C ATOM 2342 O PRO B 508 8.244 -2.708 25.724 1.00 0.00 O ATOM 2343 CB PRO B 508 9.506 -3.287 28.442 1.00 0.00 C ATOM 2344 CG PRO B 508 10.281 -2.837 29.633 1.00 0.00 C ATOM 2345 CD PRO B 508 10.787 -1.464 29.307 1.00 0.00 C ATOM 0 HA PRO B 508 10.681 -3.192 26.558 1.00 0.00 H new ATOM 0 HB2 PRO B 508 8.448 -3.047 28.552 1.00 0.00 H new ATOM 0 HB3 PRO B 508 9.577 -4.367 28.317 1.00 0.00 H new ATOM 0 HG2 PRO B 508 9.652 -2.819 30.523 1.00 0.00 H new ATOM 0 HG3 PRO B 508 11.107 -3.517 29.840 1.00 0.00 H new ATOM 0 HD2 PRO B 508 10.066 -0.693 29.579 1.00 0.00 H new ATOM 0 HD3 PRO B 508 11.712 -1.237 29.838 1.00 0.00 H new ATOM 2353 N LYS B 509 8.875 -0.626 26.359 1.00 0.00 N ATOM 2354 CA LYS B 509 7.844 0.069 25.580 1.00 0.00 C ATOM 2355 C LYS B 509 8.357 0.434 24.187 1.00 0.00 C ATOM 2356 O LYS B 509 9.396 1.089 24.049 1.00 0.00 O ATOM 2357 CB LYS B 509 7.377 1.333 26.313 1.00 0.00 C ATOM 2358 CG LYS B 509 6.516 1.053 27.537 1.00 0.00 C ATOM 2359 CD LYS B 509 6.102 2.340 28.232 1.00 0.00 C ATOM 2360 CE LYS B 509 5.253 2.060 29.461 1.00 0.00 C ATOM 2361 NZ LYS B 509 4.848 3.315 30.154 1.00 0.00 N ATOM 0 H LYS B 509 9.489 -0.004 26.885 1.00 0.00 H new ATOM 0 HA LYS B 509 6.999 -0.610 25.468 1.00 0.00 H new ATOM 0 HB2 LYS B 509 8.251 1.907 26.619 1.00 0.00 H new ATOM 0 HB3 LYS B 509 6.813 1.956 25.619 1.00 0.00 H new ATOM 0 HG2 LYS B 509 5.627 0.497 27.239 1.00 0.00 H new ATOM 0 HG3 LYS B 509 7.067 0.422 28.235 1.00 0.00 H new ATOM 0 HD2 LYS B 509 6.991 2.900 28.522 1.00 0.00 H new ATOM 0 HD3 LYS B 509 5.543 2.967 27.537 1.00 0.00 H new ATOM 0 HE2 LYS B 509 4.363 1.503 29.168 1.00 0.00 H new ATOM 0 HE3 LYS B 509 5.811 1.428 30.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 509 4.270 3.081 30.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 509 5.697 3.834 30.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 509 4.293 3.907 29.503 1.00 0.00 H new ATOM 2375 N ARG B 510 7.617 -0.005 23.161 1.00 0.00 N ATOM 2376 CA ARG B 510 7.975 0.260 21.763 1.00 0.00 C ATOM 2377 C ARG B 510 6.752 0.705 20.962 1.00 0.00 C ATOM 2378 O ARG B 510 5.617 0.358 21.303 1.00 0.00 O ATOM 2379 CB ARG B 510 8.592 -0.989 21.118 1.00 0.00 C ATOM 2380 CG ARG B 510 10.001 -1.301 21.601 1.00 0.00 C ATOM 2381 CD ARG B 510 10.554 -2.551 20.935 1.00 0.00 C ATOM 2382 NE ARG B 510 11.911 -2.865 21.395 1.00 0.00 N ATOM 2383 CZ ARG B 510 12.645 -3.900 20.960 1.00 0.00 C ATOM 2384 NH1 ARG B 510 12.171 -4.745 20.046 1.00 0.00 N ATOM 2385 NH2 ARG B 510 13.864 -4.089 21.447 1.00 0.00 N ATOM 0 H ARG B 510 6.762 -0.549 23.275 1.00 0.00 H new ATOM 0 HA ARG B 510 8.710 1.065 21.753 1.00 0.00 H new ATOM 0 HB2 ARG B 510 7.950 -1.846 21.323 1.00 0.00 H new ATOM 0 HB3 ARG B 510 8.611 -0.856 20.036 1.00 0.00 H new ATOM 0 HG2 ARG B 510 10.655 -0.455 21.389 1.00 0.00 H new ATOM 0 HG3 ARG B 510 9.994 -1.436 22.683 1.00 0.00 H new ATOM 0 HD2 ARG B 510 9.896 -3.394 21.144 1.00 0.00 H new ATOM 0 HD3 ARG B 510 10.561 -2.413 19.854 1.00 0.00 H new ATOM 0 HE ARG B 510 12.327 -2.252 22.096 1.00 0.00 H new ATOM 0 HH11 ARG B 510 11.235 -4.611 19.664 1.00 0.00 H new ATOM 0 HH12 ARG B 510 12.744 -5.526 19.728 1.00 0.00 H new ATOM 0 HH21 ARG B 510 14.238 -3.449 22.148 1.00 0.00 H new ATOM 0 HH22 ARG B 510 14.428 -4.874 21.121 1.00 0.00 H new ATOM 2399 N ARG B 511 7.000 1.475 19.894 1.00 0.00 N ATOM 2400 CA ARG B 511 5.931 1.978 19.024 1.00 0.00 C ATOM 2401 C ARG B 511 5.737 1.063 17.816 1.00 0.00 C ATOM 2402 O ARG B 511 6.695 0.450 17.336 1.00 0.00 O ATOM 2403 CB ARG B 511 6.246 3.402 18.554 1.00 0.00 C ATOM 2404 CG ARG B 511 6.097 4.457 19.641 1.00 0.00 C ATOM 2405 CD ARG B 511 6.459 5.841 19.129 1.00 0.00 C ATOM 2406 NE ARG B 511 6.329 6.865 20.172 1.00 0.00 N ATOM 2407 CZ ARG B 511 6.708 8.144 20.039 1.00 0.00 C ATOM 2408 NH1 ARG B 511 7.249 8.589 18.906 1.00 0.00 N ATOM 2409 NH2 ARG B 511 6.542 8.984 21.052 1.00 0.00 N ATOM 0 H ARG B 511 7.937 1.764 19.612 1.00 0.00 H new ATOM 0 HA ARG B 511 5.007 1.992 19.602 1.00 0.00 H new ATOM 0 HB2 ARG B 511 7.266 3.430 18.171 1.00 0.00 H new ATOM 0 HB3 ARG B 511 5.587 3.654 17.724 1.00 0.00 H new ATOM 0 HG2 ARG B 511 5.070 4.461 20.007 1.00 0.00 H new ATOM 0 HG3 ARG B 511 6.736 4.202 20.486 1.00 0.00 H new ATOM 0 HD2 ARG B 511 7.483 5.833 18.755 1.00 0.00 H new ATOM 0 HD3 ARG B 511 5.814 6.096 18.288 1.00 0.00 H new ATOM 0 HE ARG B 511 5.921 6.583 21.063 1.00 0.00 H new ATOM 0 HH11 ARG B 511 7.381 7.953 18.120 1.00 0.00 H new ATOM 0 HH12 ARG B 511 7.531 9.566 18.825 1.00 0.00 H new ATOM 0 HH21 ARG B 511 6.128 8.655 21.925 1.00 0.00 H new ATOM 0 HH22 ARG B 511 6.828 9.959 20.958 1.00 0.00 H new ATOM 2423 N GLU B 512 4.492 0.982 17.335 1.00 0.00 N ATOM 2424 CA GLU B 512 4.155 0.138 16.185 1.00 0.00 C ATOM 2425 C GLU B 512 3.382 0.921 15.127 1.00 0.00 C ATOM 2426 O GLU B 512 2.658 1.869 15.446 1.00 0.00 O ATOM 2427 CB GLU B 512 3.335 -1.077 16.633 1.00 0.00 C ATOM 2428 CG GLU B 512 4.149 -2.132 17.370 1.00 0.00 C ATOM 2429 CD GLU B 512 3.311 -3.322 17.794 1.00 0.00 C ATOM 2430 OE1 GLU B 512 3.204 -4.284 17.005 1.00 0.00 O ATOM 2431 OE2 GLU B 512 2.763 -3.293 18.916 1.00 0.00 O ATOM 0 H GLU B 512 3.700 1.492 17.726 1.00 0.00 H new ATOM 0 HA GLU B 512 5.091 -0.203 15.742 1.00 0.00 H new ATOM 0 HB2 GLU B 512 2.526 -0.739 17.280 1.00 0.00 H new ATOM 0 HB3 GLU B 512 2.873 -1.534 15.758 1.00 0.00 H new ATOM 0 HG2 GLU B 512 4.961 -2.474 16.728 1.00 0.00 H new ATOM 0 HG3 GLU B 512 4.607 -1.682 18.251 1.00 0.00 H new ATOM 2438 N ILE B 513 3.549 0.507 13.867 1.00 0.00 N ATOM 2439 CA ILE B 513 2.876 1.141 12.728 1.00 0.00 C ATOM 2440 C ILE B 513 2.152 0.081 11.864 1.00 0.00 C ATOM 2441 O ILE B 513 2.660 -0.322 10.811 1.00 0.00 O ATOM 2442 CB ILE B 513 3.856 1.988 11.856 1.00 0.00 C ATOM 2443 CG1 ILE B 513 5.248 1.338 11.743 1.00 0.00 C ATOM 2444 CG2 ILE B 513 3.982 3.392 12.425 1.00 0.00 C ATOM 2445 CD1 ILE B 513 5.506 0.675 10.409 1.00 0.00 C ATOM 0 H ILE B 513 4.152 -0.274 13.608 1.00 0.00 H new ATOM 0 HA ILE B 513 2.135 1.829 13.136 1.00 0.00 H new ATOM 0 HB ILE B 513 3.436 2.036 10.851 1.00 0.00 H new ATOM 0 HG12 ILE B 513 6.009 2.100 11.913 1.00 0.00 H new ATOM 0 HG13 ILE B 513 5.357 0.596 12.534 1.00 0.00 H new ATOM 0 HG21 ILE B 513 4.668 3.974 11.809 1.00 0.00 H new ATOM 0 HG22 ILE B 513 3.003 3.872 12.431 1.00 0.00 H new ATOM 0 HG23 ILE B 513 4.366 3.339 13.444 1.00 0.00 H new ATOM 0 HD11 ILE B 513 6.506 0.241 10.406 1.00 0.00 H new ATOM 0 HD12 ILE B 513 4.768 -0.110 10.244 1.00 0.00 H new ATOM 0 HD13 ILE B 513 5.430 1.416 9.614 1.00 0.00 H new ATOM 2457 N PRO B 514 0.952 -0.404 12.312 1.00 0.00 N ATOM 2458 CA PRO B 514 0.172 -1.430 11.586 1.00 0.00 C ATOM 2459 C PRO B 514 -0.622 -0.894 10.381 1.00 0.00 C ATOM 2460 O PRO B 514 -1.350 -1.657 9.735 1.00 0.00 O ATOM 2461 CB PRO B 514 -0.797 -1.973 12.656 1.00 0.00 C ATOM 2462 CG PRO B 514 -0.412 -1.316 13.943 1.00 0.00 C ATOM 2463 CD PRO B 514 0.266 -0.035 13.565 1.00 0.00 C ATOM 0 HA PRO B 514 0.838 -2.175 11.152 1.00 0.00 H new ATOM 0 HB2 PRO B 514 -1.831 -1.744 12.397 1.00 0.00 H new ATOM 0 HB3 PRO B 514 -0.721 -3.057 12.735 1.00 0.00 H new ATOM 0 HG2 PRO B 514 -1.289 -1.126 14.562 1.00 0.00 H new ATOM 0 HG3 PRO B 514 0.255 -1.954 14.523 1.00 0.00 H new ATOM 0 HD2 PRO B 514 -0.448 0.775 13.415 1.00 0.00 H new ATOM 0 HD3 PRO B 514 0.967 0.296 14.331 1.00 0.00 H new ATOM 2471 N LEU B 515 -0.479 0.407 10.070 1.00 0.00 N ATOM 2472 CA LEU B 515 -1.185 1.024 8.942 1.00 0.00 C ATOM 2473 C LEU B 515 -0.527 0.697 7.585 1.00 0.00 C ATOM 2474 O LEU B 515 -0.966 1.202 6.547 1.00 0.00 O ATOM 2475 CB LEU B 515 -1.268 2.558 9.165 1.00 0.00 C ATOM 2476 CG LEU B 515 0.035 3.409 9.053 1.00 0.00 C ATOM 2477 CD1 LEU B 515 1.253 2.762 9.709 1.00 0.00 C ATOM 2478 CD2 LEU B 515 0.336 3.773 7.596 1.00 0.00 C ATOM 0 H LEU B 515 0.121 1.049 10.588 1.00 0.00 H new ATOM 0 HA LEU B 515 -2.191 0.605 8.903 1.00 0.00 H new ATOM 0 HB2 LEU B 515 -1.985 2.957 8.447 1.00 0.00 H new ATOM 0 HB3 LEU B 515 -1.686 2.724 10.158 1.00 0.00 H new ATOM 0 HG LEU B 515 -0.163 4.322 9.615 1.00 0.00 H new ATOM 0 HD11 LEU B 515 2.119 3.413 9.590 1.00 0.00 H new ATOM 0 HD12 LEU B 515 1.057 2.610 10.770 1.00 0.00 H new ATOM 0 HD13 LEU B 515 1.453 1.801 9.236 1.00 0.00 H new ATOM 0 HD21 LEU B 515 1.250 4.366 7.550 1.00 0.00 H new ATOM 0 HD22 LEU B 515 0.465 2.861 7.013 1.00 0.00 H new ATOM 0 HD23 LEU B 515 -0.492 4.351 7.187 1.00 0.00 H new ATOM 2490 N LYS B 516 0.521 -0.147 7.612 1.00 0.00 N ATOM 2491 CA LYS B 516 1.268 -0.545 6.405 1.00 0.00 C ATOM 2492 C LYS B 516 0.371 -1.177 5.326 1.00 0.00 C ATOM 2493 O LYS B 516 0.259 -2.405 5.214 1.00 0.00 O ATOM 2494 CB LYS B 516 2.408 -1.500 6.779 1.00 0.00 C ATOM 2495 CG LYS B 516 3.696 -0.793 7.163 1.00 0.00 C ATOM 2496 CD LYS B 516 4.831 -1.781 7.378 1.00 0.00 C ATOM 2497 CE LYS B 516 6.176 -1.078 7.445 1.00 0.00 C ATOM 2498 NZ LYS B 516 7.284 -2.025 7.748 1.00 0.00 N ATOM 0 H LYS B 516 0.873 -0.572 8.470 1.00 0.00 H new ATOM 0 HA LYS B 516 1.681 0.367 5.973 1.00 0.00 H new ATOM 0 HB2 LYS B 516 2.087 -2.127 7.610 1.00 0.00 H new ATOM 0 HB3 LYS B 516 2.605 -2.163 5.937 1.00 0.00 H new ATOM 0 HG2 LYS B 516 3.971 -0.086 6.381 1.00 0.00 H new ATOM 0 HG3 LYS B 516 3.538 -0.215 8.074 1.00 0.00 H new ATOM 0 HD2 LYS B 516 4.662 -2.335 8.301 1.00 0.00 H new ATOM 0 HD3 LYS B 516 4.840 -2.509 6.567 1.00 0.00 H new ATOM 0 HE2 LYS B 516 6.373 -0.581 6.495 1.00 0.00 H new ATOM 0 HE3 LYS B 516 6.142 -0.302 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 8.184 -1.506 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 7.110 -2.481 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 7.333 -2.751 7.005 1.00 0.00 H new ATOM 2512 N VAL B 517 -0.286 -0.303 4.551 1.00 0.00 N ATOM 2513 CA VAL B 517 -1.171 -0.706 3.448 1.00 0.00 C ATOM 2514 C VAL B 517 -1.702 0.507 2.701 1.00 0.00 C ATOM 2515 O VAL B 517 -1.714 0.539 1.472 1.00 0.00 O ATOM 2516 CB VAL B 517 -2.355 -1.630 3.888 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -3.262 -0.948 4.914 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -3.137 -2.086 2.652 1.00 0.00 C ATOM 0 H VAL B 517 -0.219 0.708 4.672 1.00 0.00 H new ATOM 0 HA VAL B 517 -0.548 -1.301 2.781 1.00 0.00 H new ATOM 0 HB VAL B 517 -1.943 -2.508 4.384 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -4.070 -1.625 5.192 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -2.681 -0.693 5.801 1.00 0.00 H new ATOM 0 HG13 VAL B 517 -3.682 -0.040 4.482 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -3.961 -2.729 2.960 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -3.532 -1.215 2.130 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -2.475 -2.639 1.986 1.00 0.00 H new ATOM 2528 N LEU B 518 -2.154 1.482 3.463 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.679 2.727 2.933 1.00 0.00 C ATOM 2530 C LEU B 518 -1.602 3.506 2.160 1.00 0.00 C ATOM 2531 O LEU B 518 -1.835 4.621 1.680 1.00 0.00 O ATOM 2532 CB LEU B 518 -3.218 3.559 4.092 1.00 0.00 C ATOM 2533 CG LEU B 518 -4.486 3.037 4.828 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -5.426 2.237 3.920 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -4.099 2.215 6.051 1.00 0.00 C ATOM 0 H LEU B 518 -2.168 1.433 4.482 1.00 0.00 H new ATOM 0 HA LEU B 518 -3.481 2.507 2.229 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -2.422 3.664 4.829 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.436 4.558 3.715 1.00 0.00 H new ATOM 0 HG LEU B 518 -5.040 3.920 5.147 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -6.290 1.902 4.495 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.761 2.868 3.096 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.897 1.371 3.522 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -5.000 1.860 6.551 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -3.496 1.362 5.740 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -3.523 2.835 6.738 1.00 0.00 H new ATOM 2547 N VAL B 519 -0.427 2.875 2.046 1.00 0.00 N ATOM 2548 CA VAL B 519 0.725 3.419 1.353 1.00 0.00 C ATOM 2549 C VAL B 519 1.329 2.300 0.520 1.00 0.00 C ATOM 2550 O VAL B 519 1.702 2.508 -0.635 1.00 0.00 O ATOM 2551 CB VAL B 519 1.787 3.987 2.347 1.00 0.00 C ATOM 2552 CG1 VAL B 519 2.835 4.834 1.628 1.00 0.00 C ATOM 2553 CG2 VAL B 519 1.144 4.815 3.459 1.00 0.00 C ATOM 0 H VAL B 519 -0.257 1.952 2.445 1.00 0.00 H new ATOM 0 HA VAL B 519 0.410 4.251 0.723 1.00 0.00 H new ATOM 0 HB VAL B 519 2.276 3.122 2.795 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.557 5.212 2.352 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.350 4.223 0.887 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.347 5.672 1.131 1.00 0.00 H new ATOM 0 HG21 VAL B 519 1.919 5.191 4.127 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.604 5.655 3.022 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.450 4.191 4.022 1.00 0.00 H new ATOM 2563 N LYS B 520 1.404 1.106 1.126 1.00 0.00 N ATOM 2564 CA LYS B 520 1.923 -0.074 0.469 1.00 0.00 C ATOM 2565 C LYS B 520 1.024 -0.558 -0.664 1.00 0.00 C ATOM 2566 O LYS B 520 1.517 -1.056 -1.681 1.00 0.00 O ATOM 2567 CB LYS B 520 2.111 -1.179 1.488 1.00 0.00 C ATOM 2568 CG LYS B 520 3.501 -1.786 1.436 1.00 0.00 C ATOM 2569 CD LYS B 520 3.894 -2.245 0.021 1.00 0.00 C ATOM 2570 CE LYS B 520 5.358 -2.648 -0.048 1.00 0.00 C ATOM 2571 NZ LYS B 520 5.756 -3.062 -1.422 1.00 0.00 N ATOM 0 H LYS B 520 1.103 0.945 2.087 1.00 0.00 H new ATOM 0 HA LYS B 520 2.881 0.195 0.023 1.00 0.00 H new ATOM 0 HB2 LYS B 520 1.928 -0.783 2.487 1.00 0.00 H new ATOM 0 HB3 LYS B 520 1.370 -1.959 1.314 1.00 0.00 H new ATOM 0 HG2 LYS B 520 4.226 -1.054 1.791 1.00 0.00 H new ATOM 0 HG3 LYS B 520 3.548 -2.637 2.116 1.00 0.00 H new ATOM 0 HD2 LYS B 520 3.269 -3.088 -0.276 1.00 0.00 H new ATOM 0 HD3 LYS B 520 3.703 -1.441 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS B 520 5.980 -1.813 0.274 1.00 0.00 H new ATOM 0 HE3 LYS B 520 5.542 -3.468 0.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 6.761 -3.329 -1.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 5.180 -3.875 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 5.605 -2.271 -2.080 1.00 0.00 H new ATOM 2585 N ALA B 521 -0.295 -0.409 -0.480 1.00 0.00 N ATOM 2586 CA ALA B 521 -1.267 -0.781 -1.508 1.00 0.00 C ATOM 2587 C ALA B 521 -1.398 0.376 -2.497 1.00 0.00 C ATOM 2588 O ALA B 521 -2.333 0.462 -3.301 1.00 0.00 O ATOM 2589 CB ALA B 521 -2.606 -1.133 -0.885 1.00 0.00 C ATOM 0 H ALA B 521 -0.710 -0.033 0.373 1.00 0.00 H new ATOM 0 HA ALA B 521 -0.922 -1.669 -2.038 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -3.312 -1.406 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -2.480 -1.973 -0.202 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.989 -0.273 -0.336 1.00 0.00 H new ATOM 2595 N VAL B 522 -0.392 1.242 -2.407 1.00 0.00 N ATOM 2596 CA VAL B 522 -0.268 2.436 -3.206 1.00 0.00 C ATOM 2597 C VAL B 522 1.136 2.511 -3.822 1.00 0.00 C ATOM 2598 O VAL B 522 1.333 3.208 -4.821 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.575 3.741 -2.415 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -1.244 4.761 -3.326 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.465 3.484 -1.207 1.00 0.00 C ATOM 0 H VAL B 522 0.379 1.119 -1.751 1.00 0.00 H new ATOM 0 HA VAL B 522 -1.019 2.366 -3.992 1.00 0.00 H new ATOM 0 HB VAL B 522 0.377 4.129 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.454 5.670 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.581 4.996 -4.158 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -2.177 4.349 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.652 4.423 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -2.412 3.057 -1.537 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.969 2.787 -0.531 1.00 0.00 H new ATOM 2611 N LEU B 523 2.115 1.789 -3.221 1.00 0.00 N ATOM 2612 CA LEU B 523 3.477 1.755 -3.746 1.00 0.00 C ATOM 2613 C LEU B 523 3.651 0.495 -4.581 1.00 0.00 C ATOM 2614 O LEU B 523 4.600 0.371 -5.360 1.00 0.00 O ATOM 2615 CB LEU B 523 4.511 1.767 -2.615 1.00 0.00 C ATOM 2616 CG LEU B 523 4.496 3.008 -1.716 1.00 0.00 C ATOM 2617 CD1 LEU B 523 4.701 2.617 -0.262 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.549 4.018 -2.148 1.00 0.00 C ATOM 0 H LEU B 523 1.975 1.231 -2.379 1.00 0.00 H new ATOM 0 HA LEU B 523 3.637 2.643 -4.357 1.00 0.00 H new ATOM 0 HB2 LEU B 523 4.351 0.887 -1.992 1.00 0.00 H new ATOM 0 HB3 LEU B 523 5.504 1.671 -3.054 1.00 0.00 H new ATOM 0 HG LEU B 523 3.518 3.479 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU B 523 4.687 3.512 0.361 1.00 0.00 H new ATOM 0 HD12 LEU B 523 3.902 1.945 0.050 1.00 0.00 H new ATOM 0 HD13 LEU B 523 5.662 2.113 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.512 4.886 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.537 3.561 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.354 4.331 -3.174 1.00 0.00 H new ATOM 2630 N PHE B 524 2.704 -0.438 -4.395 1.00 0.00 N ATOM 2631 CA PHE B 524 2.694 -1.709 -5.102 1.00 0.00 C ATOM 2632 C PHE B 524 2.014 -1.579 -6.476 1.00 0.00 C ATOM 2633 O PHE B 524 2.503 -2.124 -7.470 1.00 0.00 O ATOM 2634 CB PHE B 524 2.013 -2.781 -4.216 1.00 0.00 C ATOM 2635 CG PHE B 524 0.911 -3.568 -4.879 1.00 0.00 C ATOM 2636 CD1 PHE B 524 -0.406 -3.164 -4.759 1.00 0.00 C ATOM 2637 CD2 PHE B 524 1.198 -4.699 -5.622 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -1.420 -3.875 -5.367 1.00 0.00 C ATOM 2639 CE2 PHE B 524 0.188 -5.416 -6.233 1.00 0.00 C ATOM 2640 CZ PHE B 524 -1.124 -5.003 -6.106 1.00 0.00 C ATOM 0 H PHE B 524 1.925 -0.323 -3.746 1.00 0.00 H new ATOM 0 HA PHE B 524 3.720 -2.021 -5.296 1.00 0.00 H new ATOM 0 HB2 PHE B 524 2.776 -3.478 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE B 524 1.604 -2.291 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.644 -2.282 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE B 524 2.223 -5.025 -5.725 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -2.445 -3.549 -5.265 1.00 0.00 H new ATOM 0 HE2 PHE B 524 0.424 -6.298 -6.809 1.00 0.00 H new ATOM 0 HZ PHE B 524 -1.916 -5.561 -6.583 1.00 0.00 H new ATOM 2650 N ALA B 525 0.887 -0.853 -6.511 1.00 0.00 N ATOM 2651 CA ALA B 525 0.117 -0.647 -7.744 1.00 0.00 C ATOM 2652 C ALA B 525 0.694 0.475 -8.618 1.00 0.00 C ATOM 2653 O ALA B 525 0.319 0.607 -9.787 1.00 0.00 O ATOM 2654 CB ALA B 525 -1.337 -0.358 -7.405 1.00 0.00 C ATOM 0 H ALA B 525 0.487 -0.396 -5.692 1.00 0.00 H new ATOM 0 HA ALA B 525 0.183 -1.567 -8.325 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.902 -0.206 -8.325 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.757 -1.201 -6.856 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -1.396 0.541 -6.791 1.00 0.00 H new ATOM 2660 N CYS B 526 1.608 1.276 -8.046 1.00 0.00 N ATOM 2661 CA CYS B 526 2.244 2.383 -8.772 1.00 0.00 C ATOM 2662 C CYS B 526 3.497 1.912 -9.532 1.00 0.00 C ATOM 2663 O CYS B 526 4.324 2.728 -9.961 1.00 0.00 O ATOM 2664 CB CYS B 526 2.606 3.502 -7.789 1.00 0.00 C ATOM 2665 SG CYS B 526 3.192 5.020 -8.578 1.00 0.00 S ATOM 0 H CYS B 526 1.922 1.176 -7.081 1.00 0.00 H new ATOM 0 HA CYS B 526 1.536 2.761 -9.509 1.00 0.00 H new ATOM 0 HB2 CYS B 526 1.731 3.735 -7.183 1.00 0.00 H new ATOM 0 HB3 CYS B 526 3.377 3.138 -7.109 1.00 0.00 H new ATOM 0 HG CYS B 526 4.074 4.724 -9.486 1.00 0.00 H new ATOM 2671 N MET B 527 3.612 0.592 -9.714 1.00 0.00 N ATOM 2672 CA MET B 527 4.757 -0.005 -10.408 1.00 0.00 C ATOM 2673 C MET B 527 4.310 -0.961 -11.522 1.00 0.00 C ATOM 2674 O MET B 527 5.127 -1.371 -12.352 1.00 0.00 O ATOM 2675 CB MET B 527 5.654 -0.746 -9.408 1.00 0.00 C ATOM 2676 CG MET B 527 6.236 0.146 -8.317 1.00 0.00 C ATOM 2677 SD MET B 527 7.439 -0.710 -7.283 1.00 0.00 S ATOM 2678 CE MET B 527 7.627 0.456 -5.938 1.00 0.00 C ATOM 0 H MET B 527 2.922 -0.085 -9.388 1.00 0.00 H new ATOM 0 HA MET B 527 5.322 0.804 -10.870 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.077 -1.544 -8.941 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.472 -1.219 -9.951 1.00 0.00 H new ATOM 0 HG2 MET B 527 6.711 1.013 -8.777 1.00 0.00 H new ATOM 0 HG3 MET B 527 5.427 0.521 -7.690 1.00 0.00 H new ATOM 0 HE1 MET B 527 8.659 0.444 -5.587 1.00 0.00 H new ATOM 0 HE2 MET B 527 7.374 1.457 -6.287 1.00 0.00 H new ATOM 0 HE3 MET B 527 6.962 0.178 -5.120 1.00 0.00 H new ATOM 2688 N LEU B 528 3.009 -1.312 -11.531 1.00 0.00 N ATOM 2689 CA LEU B 528 2.420 -2.219 -12.533 1.00 0.00 C ATOM 2690 C LEU B 528 2.655 -1.757 -13.980 1.00 0.00 C ATOM 2691 O LEU B 528 2.753 -2.585 -14.890 1.00 0.00 O ATOM 2692 CB LEU B 528 0.915 -2.364 -12.286 1.00 0.00 C ATOM 2693 CG LEU B 528 0.543 -2.888 -10.899 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.872 -2.471 -10.527 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.690 -4.399 -10.828 1.00 0.00 C ATOM 0 H LEU B 528 2.337 -0.974 -10.842 1.00 0.00 H new ATOM 0 HA LEU B 528 2.923 -3.179 -12.415 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.441 -1.393 -12.432 1.00 0.00 H new ATOM 0 HB3 LEU B 528 0.500 -3.037 -13.037 1.00 0.00 H new ATOM 0 HG LEU B 528 1.232 -2.447 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -1.116 -2.855 -9.536 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.941 -1.383 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.574 -2.876 -11.256 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.419 -4.744 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU B 528 0.033 -4.863 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.723 -4.674 -11.039 1.00 0.00 H new ATOM 2707 N MET B 529 2.742 -0.434 -14.175 1.00 0.00 N ATOM 2708 CA MET B 529 2.962 0.156 -15.507 1.00 0.00 C ATOM 2709 C MET B 529 4.455 0.241 -15.867 1.00 0.00 C ATOM 2710 O MET B 529 4.803 0.440 -17.034 1.00 0.00 O ATOM 2711 CB MET B 529 2.299 1.547 -15.611 1.00 0.00 C ATOM 2712 CG MET B 529 2.637 2.513 -14.477 1.00 0.00 C ATOM 2713 SD MET B 529 1.832 4.115 -14.664 1.00 0.00 S ATOM 2714 CE MET B 529 2.431 4.967 -13.207 1.00 0.00 C ATOM 0 H MET B 529 2.663 0.252 -13.425 1.00 0.00 H new ATOM 0 HA MET B 529 2.492 -0.510 -16.230 1.00 0.00 H new ATOM 0 HB2 MET B 529 2.594 2.003 -16.556 1.00 0.00 H new ATOM 0 HB3 MET B 529 1.218 1.415 -15.645 1.00 0.00 H new ATOM 0 HG2 MET B 529 2.339 2.070 -13.527 1.00 0.00 H new ATOM 0 HG3 MET B 529 3.717 2.656 -14.437 1.00 0.00 H new ATOM 0 HE1 MET B 529 2.019 5.976 -13.180 1.00 0.00 H new ATOM 0 HE2 MET B 529 2.120 4.424 -12.314 1.00 0.00 H new ATOM 0 HE3 MET B 529 3.519 5.020 -13.238 1.00 0.00 H new ATOM 2724 N ARG B 530 5.322 0.089 -14.857 1.00 0.00 N ATOM 2725 CA ARG B 530 6.775 0.146 -15.054 1.00 0.00 C ATOM 2726 C ARG B 530 7.372 -1.251 -15.246 1.00 0.00 C ATOM 2727 O ARG B 530 8.387 -1.406 -15.929 1.00 0.00 O ATOM 2728 CB ARG B 530 7.450 0.841 -13.863 1.00 0.00 C ATOM 2729 CG ARG B 530 7.268 2.357 -13.838 1.00 0.00 C ATOM 2730 CD ARG B 530 8.327 3.070 -14.670 1.00 0.00 C ATOM 2731 NE ARG B 530 8.121 4.522 -14.699 1.00 0.00 N ATOM 2732 CZ ARG B 530 8.844 5.381 -15.432 1.00 0.00 C ATOM 2733 NH1 ARG B 530 9.836 4.956 -16.212 1.00 0.00 N ATOM 2734 NH2 ARG B 530 8.568 6.677 -15.383 1.00 0.00 N ATOM 0 H ARG B 530 5.039 -0.075 -13.891 1.00 0.00 H new ATOM 0 HA ARG B 530 6.961 0.722 -15.961 1.00 0.00 H new ATOM 0 HB2 ARG B 530 7.051 0.423 -12.939 1.00 0.00 H new ATOM 0 HB3 ARG B 530 8.516 0.614 -13.881 1.00 0.00 H new ATOM 0 HG2 ARG B 530 6.278 2.610 -14.217 1.00 0.00 H new ATOM 0 HG3 ARG B 530 7.316 2.712 -12.808 1.00 0.00 H new ATOM 0 HD2 ARG B 530 9.314 2.853 -14.263 1.00 0.00 H new ATOM 0 HD3 ARG B 530 8.310 2.681 -15.688 1.00 0.00 H new ATOM 0 HE ARG B 530 7.374 4.906 -14.120 1.00 0.00 H new ATOM 0 HH11 ARG B 530 10.057 3.961 -16.259 1.00 0.00 H new ATOM 0 HH12 ARG B 530 10.375 5.625 -16.762 1.00 0.00 H new ATOM 0 HH21 ARG B 530 7.810 7.015 -14.790 1.00 0.00 H new ATOM 0 HH22 ARG B 530 9.114 7.336 -15.938 1.00 0.00 H new ATOM 2748 N LYS B 531 6.724 -2.270 -14.638 1.00 0.00 N ATOM 2749 CA LYS B 531 7.156 -3.687 -14.711 1.00 0.00 C ATOM 2750 C LYS B 531 8.539 -3.899 -14.080 1.00 0.00 C ATOM 2751 O LYS B 531 8.611 -4.588 -13.041 1.00 0.00 O ATOM 2752 CB LYS B 531 7.145 -4.213 -16.165 1.00 0.00 C ATOM 2753 CG LYS B 531 5.752 -4.352 -16.784 1.00 0.00 C ATOM 2754 CD LYS B 531 5.055 -5.652 -16.380 1.00 0.00 C ATOM 2755 CE LYS B 531 3.902 -5.389 -15.426 1.00 0.00 C ATOM 2756 NZ LYS B 531 3.216 -6.648 -15.024 1.00 0.00 N ATOM 2757 OXT LYS B 531 9.533 -3.367 -14.623 1.00 0.00 O ATOM 0 H LYS B 531 5.882 -2.133 -14.079 1.00 0.00 H new ATOM 0 HA LYS B 531 6.431 -4.261 -14.134 1.00 0.00 H new ATOM 0 HB2 LYS B 531 7.738 -3.540 -16.785 1.00 0.00 H new ATOM 0 HB3 LYS B 531 7.637 -5.185 -16.189 1.00 0.00 H new ATOM 0 HG2 LYS B 531 5.137 -3.505 -16.480 1.00 0.00 H new ATOM 0 HG3 LYS B 531 5.836 -4.311 -17.870 1.00 0.00 H new ATOM 0 HD2 LYS B 531 4.684 -6.160 -17.270 1.00 0.00 H new ATOM 0 HD3 LYS B 531 5.775 -6.321 -15.908 1.00 0.00 H new ATOM 0 HE2 LYS B 531 4.275 -4.879 -14.538 1.00 0.00 H new ATOM 0 HE3 LYS B 531 3.184 -4.720 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 531 2.436 -6.426 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS B 531 2.838 -7.122 -15.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 531 3.895 -7.277 -14.549 1.00 0.00 H new TER 2771 LYS B 531