USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 825 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 51 THR OG1 : rot -65:sc= 0.685 USER MOD Set 1.2: A 57 LYS NZ :NH3+ -119:sc= -1.72 (180deg=-3.69!) USER MOD Set 1.3: A 97 MET CE :methyl -138:sc= -1.32 (180deg=-3.67!) USER MOD Set 1.4: B 478 MET CE :methyl -127:sc=-0.00116 (180deg=0) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.0286 K(o=-9,f=-11!) USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= -3.1! USER MOD Set 2.3: A 39 THR OG1 : rot 180:sc= -5.83! USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.422 K(o=-0.42,f=-2.6) USER MOD Set 3.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= -0.706 (180deg=-1.79) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= -0.128 USER MOD Single : A 32 THR OG1 : rot 81:sc= 0.0332 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-3.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.46 K(o=-1.5,f=-3.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.615 USER MOD Single : A 58 MET CE :methyl -125:sc= -2.44 (180deg=-5.35!) USER MOD Single : A 59 MET CE :methyl -172:sc= -10.5! (180deg=-11!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.765 F(o=-2.7!,f=-0.77) USER MOD Single : A 88 MET CE :methyl 145:sc= -5.2! (180deg=-9.9!) USER MOD Single : A 90 SER OG : rot -2:sc= 0.0103 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.4!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0193 USER MOD Single : A 99 ASN : amide:sc= -6.68! C(o=-6.7!,f=-6.7!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -116:sc= 0.682 USER MOD Single : A 105 GLN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 106 GLN :FLIP amide:sc= 0.52 F(o=-0.12,f=0.52) USER MOD Single : A 109 SER OG : rot 104:sc= 1.23 USER MOD Single : A 111 TYR OH : rot 124:sc= -4.22! USER MOD Single : A 112 LYS NZ :NH3+ -118:sc= -0.0636 (180deg=-0.71) USER MOD Single : B 477 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : B 480 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.012 14.251 11.999 1.00 0.00 N ATOM 2 CA PRO A 1 -9.918 13.395 10.786 1.00 0.00 C ATOM 3 C PRO A 1 -8.466 13.083 10.421 1.00 0.00 C ATOM 4 O PRO A 1 -8.096 13.085 9.247 1.00 0.00 O ATOM 5 CB PRO A 1 -10.611 14.136 9.645 1.00 0.00 C ATOM 6 CG PRO A 1 -10.955 15.468 10.224 1.00 0.00 C ATOM 7 CD PRO A 1 -11.030 15.277 11.719 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.112 14.682 12.208 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.273 13.696 12.814 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.402 12.437 10.977 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -9.956 14.236 8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -11.503 13.606 9.310 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.200 16.211 9.965 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -11.905 15.829 9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.818 16.205 12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.022 14.950 12.030 1.00 0.00 H new ATOM 17 N SER A 2 -7.651 12.815 11.436 1.00 0.00 N ATOM 18 CA SER A 2 -6.242 12.500 11.223 1.00 0.00 C ATOM 19 C SER A 2 -6.045 11.022 10.887 1.00 0.00 C ATOM 20 O SER A 2 -4.934 10.592 10.578 1.00 0.00 O ATOM 21 CB SER A 2 -5.427 12.863 12.466 1.00 0.00 C ATOM 22 OG SER A 2 -5.969 13.998 13.119 1.00 0.00 O ATOM 0 H SER A 2 -7.941 12.810 12.414 1.00 0.00 H new ATOM 0 HA SER A 2 -5.893 13.090 10.375 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.411 12.017 13.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.394 13.062 12.182 1.00 0.00 H new ATOM 0 HG SER A 2 -5.431 14.208 13.911 1.00 0.00 H new ATOM 28 N HIS A 3 -7.126 10.247 10.951 1.00 0.00 N ATOM 29 CA HIS A 3 -7.061 8.818 10.654 1.00 0.00 C ATOM 30 C HIS A 3 -8.175 8.392 9.712 1.00 0.00 C ATOM 31 O HIS A 3 -8.530 7.217 9.633 1.00 0.00 O ATOM 32 CB HIS A 3 -7.104 7.994 11.940 1.00 0.00 C ATOM 33 CG HIS A 3 -8.303 8.264 12.797 1.00 0.00 C ATOM 34 ND1 HIS A 3 -9.380 9.020 12.381 1.00 0.00 N ATOM 35 CD2 HIS A 3 -8.592 7.868 14.060 1.00 0.00 C ATOM 36 CE1 HIS A 3 -10.276 9.078 13.350 1.00 0.00 C ATOM 37 NE2 HIS A 3 -9.822 8.387 14.379 1.00 0.00 N ATOM 0 H HIS A 3 -8.055 10.584 11.205 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.111 8.631 10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.086 6.935 11.682 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.203 8.196 12.519 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -7.970 7.257 14.698 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.220 9.602 13.308 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -10.307 8.259 15.267 1.00 0.00 H new ATOM 46 N SER A 4 -8.718 9.358 9.001 1.00 0.00 N ATOM 47 CA SER A 4 -9.792 9.102 8.052 1.00 0.00 C ATOM 48 C SER A 4 -9.711 10.070 6.884 1.00 0.00 C ATOM 49 O SER A 4 -9.307 11.222 7.044 1.00 0.00 O ATOM 50 CB SER A 4 -11.154 9.216 8.737 1.00 0.00 C ATOM 51 OG SER A 4 -11.240 10.399 9.511 1.00 0.00 O ATOM 0 H SER A 4 -8.434 10.336 9.060 1.00 0.00 H new ATOM 0 HA SER A 4 -9.678 8.086 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.944 9.212 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.317 8.348 9.376 1.00 0.00 H new ATOM 0 HG SER A 4 -12.121 10.448 9.937 1.00 0.00 H new ATOM 57 N GLY A 5 -10.088 9.593 5.707 1.00 0.00 N ATOM 58 CA GLY A 5 -10.039 10.427 4.530 1.00 0.00 C ATOM 59 C GLY A 5 -10.674 9.764 3.329 1.00 0.00 C ATOM 60 O GLY A 5 -11.058 8.598 3.389 1.00 0.00 O ATOM 0 H GLY A 5 -10.426 8.644 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.548 11.369 4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.001 10.669 4.302 1.00 0.00 H new ATOM 64 N ALA A 6 -10.787 10.508 2.238 1.00 0.00 N ATOM 65 CA ALA A 6 -11.383 9.984 1.019 1.00 0.00 C ATOM 66 C ALA A 6 -10.330 9.754 -0.059 1.00 0.00 C ATOM 67 O ALA A 6 -9.590 10.667 -0.428 1.00 0.00 O ATOM 68 CB ALA A 6 -12.462 10.930 0.514 1.00 0.00 C ATOM 0 H ALA A 6 -10.474 11.476 2.173 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.836 9.021 1.252 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.901 10.527 -0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.237 11.036 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.022 11.905 0.305 1.00 0.00 H new ATOM 74 N ALA A 7 -10.276 8.527 -0.564 1.00 0.00 N ATOM 75 CA ALA A 7 -9.326 8.163 -1.605 1.00 0.00 C ATOM 76 C ALA A 7 -9.947 7.154 -2.561 1.00 0.00 C ATOM 77 O ALA A 7 -10.827 6.385 -2.176 1.00 0.00 O ATOM 78 CB ALA A 7 -8.054 7.600 -0.989 1.00 0.00 C ATOM 0 H ALA A 7 -10.884 7.764 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.069 9.060 -2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.354 7.333 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.600 8.350 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.295 6.713 -0.403 1.00 0.00 H new ATOM 84 N ILE A 8 -9.491 7.157 -3.808 1.00 0.00 N ATOM 85 CA ILE A 8 -10.016 6.236 -4.802 1.00 0.00 C ATOM 86 C ILE A 8 -9.267 4.906 -4.761 1.00 0.00 C ATOM 87 O ILE A 8 -8.047 4.862 -4.909 1.00 0.00 O ATOM 88 CB ILE A 8 -9.952 6.842 -6.228 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.252 6.553 -6.987 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.753 6.309 -6.998 1.00 0.00 C ATOM 91 CD1 ILE A 8 -11.058 5.800 -8.289 1.00 0.00 C ATOM 0 H ILE A 8 -8.763 7.784 -4.151 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.063 6.056 -4.557 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.834 7.921 -6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.915 5.976 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.754 7.497 -7.198 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.734 6.751 -7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.836 6.568 -6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.828 5.225 -7.084 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.026 5.636 -8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -10.422 6.383 -8.955 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.586 4.839 -8.086 1.00 0.00 H new ATOM 103 N PHE A 9 -10.008 3.827 -4.559 1.00 0.00 N ATOM 104 CA PHE A 9 -9.419 2.495 -4.499 1.00 0.00 C ATOM 105 C PHE A 9 -9.967 1.610 -5.610 1.00 0.00 C ATOM 106 O PHE A 9 -11.156 1.657 -5.925 1.00 0.00 O ATOM 107 CB PHE A 9 -9.691 1.854 -3.136 1.00 0.00 C ATOM 108 CG PHE A 9 -8.546 1.028 -2.622 1.00 0.00 C ATOM 109 CD1 PHE A 9 -8.324 -0.250 -3.109 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.693 1.530 -1.652 1.00 0.00 C ATOM 111 CE1 PHE A 9 -7.272 -1.012 -2.637 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.640 0.773 -1.177 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.429 -0.500 -1.670 1.00 0.00 C ATOM 0 H PHE A 9 -11.020 3.846 -4.434 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.342 2.594 -4.636 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.916 2.638 -2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.578 1.225 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.980 -0.655 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.854 2.525 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.109 -2.007 -3.024 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.982 1.176 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.606 -1.094 -1.300 1.00 0.00 H new ATOM 123 N GLU A 10 -9.092 0.807 -6.205 1.00 0.00 N ATOM 124 CA GLU A 10 -9.488 -0.084 -7.287 1.00 0.00 C ATOM 125 C GLU A 10 -10.098 0.706 -8.441 1.00 0.00 C ATOM 126 O GLU A 10 -10.893 0.176 -9.217 1.00 0.00 O ATOM 127 CB GLU A 10 -10.489 -1.124 -6.780 1.00 0.00 C ATOM 128 CG GLU A 10 -9.834 -2.373 -6.215 1.00 0.00 C ATOM 129 CD GLU A 10 -9.800 -3.515 -7.211 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.813 -4.238 -7.320 1.00 0.00 O ATOM 131 OE2 GLU A 10 -8.761 -3.686 -7.883 1.00 0.00 O ATOM 0 H GLU A 10 -8.104 0.755 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.597 -0.596 -7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.113 -0.671 -6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.150 -1.409 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.816 -2.136 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.374 -2.690 -5.323 1.00 0.00 H new ATOM 138 N LYS A 11 -9.718 1.977 -8.549 1.00 0.00 N ATOM 139 CA LYS A 11 -10.223 2.839 -9.604 1.00 0.00 C ATOM 140 C LYS A 11 -11.723 3.039 -9.461 1.00 0.00 C ATOM 141 O LYS A 11 -12.471 2.993 -10.438 1.00 0.00 O ATOM 142 CB LYS A 11 -9.876 2.254 -10.971 1.00 0.00 C ATOM 143 CG LYS A 11 -8.477 1.659 -11.026 1.00 0.00 C ATOM 144 CD LYS A 11 -7.409 2.711 -10.761 1.00 0.00 C ATOM 145 CE LYS A 11 -7.488 3.852 -11.763 1.00 0.00 C ATOM 146 NZ LYS A 11 -8.288 4.994 -11.241 1.00 0.00 N ATOM 0 H LYS A 11 -9.060 2.430 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.747 3.816 -9.517 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.603 1.483 -11.225 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.963 3.035 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.392 0.860 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.311 1.209 -12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.527 3.104 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.423 2.250 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.481 4.194 -12.004 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.933 3.491 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.933 5.882 -11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.286 4.867 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.204 5.032 -10.205 1.00 0.00 H new ATOM 160 N VAL A 12 -12.147 3.270 -8.225 1.00 0.00 N ATOM 161 CA VAL A 12 -13.548 3.491 -7.918 1.00 0.00 C ATOM 162 C VAL A 12 -13.685 4.455 -6.741 1.00 0.00 C ATOM 163 O VAL A 12 -13.401 4.098 -5.598 1.00 0.00 O ATOM 164 CB VAL A 12 -14.250 2.155 -7.601 1.00 0.00 C ATOM 165 CG1 VAL A 12 -15.515 2.367 -6.777 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.568 1.406 -8.886 1.00 0.00 C ATOM 0 H VAL A 12 -11.530 3.309 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.028 3.933 -8.791 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.565 1.553 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.982 1.404 -6.573 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -15.259 2.852 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.210 2.997 -7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -15.063 0.465 -8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.225 2.014 -9.508 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.644 1.202 -9.426 1.00 0.00 H new ATOM 176 N SER A 13 -14.107 5.685 -7.039 1.00 0.00 N ATOM 177 CA SER A 13 -14.271 6.726 -6.022 1.00 0.00 C ATOM 178 C SER A 13 -14.842 6.171 -4.720 1.00 0.00 C ATOM 179 O SER A 13 -15.911 5.560 -4.709 1.00 0.00 O ATOM 180 CB SER A 13 -15.178 7.836 -6.553 1.00 0.00 C ATOM 181 OG SER A 13 -14.918 8.096 -7.922 1.00 0.00 O ATOM 0 H SER A 13 -14.343 5.987 -7.984 1.00 0.00 H new ATOM 0 HA SER A 13 -13.282 7.129 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.222 7.549 -6.426 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.024 8.745 -5.971 1.00 0.00 H new ATOM 0 HG SER A 13 -15.512 8.808 -8.238 1.00 0.00 H new ATOM 187 N GLY A 14 -14.119 6.390 -3.625 1.00 0.00 N ATOM 188 CA GLY A 14 -14.571 5.908 -2.332 1.00 0.00 C ATOM 189 C GLY A 14 -13.962 6.669 -1.170 1.00 0.00 C ATOM 190 O GLY A 14 -13.460 7.781 -1.338 1.00 0.00 O ATOM 0 H GLY A 14 -13.231 6.891 -3.610 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.657 5.986 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.322 4.851 -2.237 1.00 0.00 H new ATOM 194 N ILE A 15 -14.013 6.066 0.015 1.00 0.00 N ATOM 195 CA ILE A 15 -13.471 6.685 1.219 1.00 0.00 C ATOM 196 C ILE A 15 -12.645 5.696 2.039 1.00 0.00 C ATOM 197 O ILE A 15 -12.900 4.492 2.018 1.00 0.00 O ATOM 198 CB ILE A 15 -14.583 7.273 2.106 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.396 8.311 1.330 1.00 0.00 C ATOM 200 CG2 ILE A 15 -13.976 7.896 3.350 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.334 7.706 0.310 1.00 0.00 C ATOM 0 H ILE A 15 -14.426 5.146 0.166 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.822 7.494 0.882 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.255 6.469 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -15.975 8.908 2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -14.712 8.991 0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.769 8.310 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.434 7.135 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.289 8.691 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -16.877 8.501 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -15.760 7.133 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -17.043 7.048 0.813 1.00 0.00 H new ATOM 213 N ILE A 16 -11.653 6.215 2.762 1.00 0.00 N ATOM 214 CA ILE A 16 -10.781 5.381 3.585 1.00 0.00 C ATOM 215 C ILE A 16 -10.979 5.646 5.076 1.00 0.00 C ATOM 216 O ILE A 16 -11.282 6.766 5.488 1.00 0.00 O ATOM 217 CB ILE A 16 -9.282 5.597 3.261 1.00 0.00 C ATOM 218 CG1 ILE A 16 -9.086 6.252 1.888 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.529 4.278 3.337 1.00 0.00 C ATOM 220 CD1 ILE A 16 -8.393 7.595 1.961 1.00 0.00 C ATOM 0 H ILE A 16 -11.434 7.211 2.794 1.00 0.00 H new ATOM 0 HA ILE A 16 -11.061 4.354 3.349 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.876 6.279 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.503 5.584 1.254 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.058 6.377 1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.477 4.446 3.107 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.619 3.865 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.950 3.576 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.285 8.004 0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.986 8.278 2.569 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -7.407 7.472 2.410 1.00 0.00 H new ATOM 232 N ALA A 17 -10.780 4.605 5.878 1.00 0.00 N ATOM 233 CA ALA A 17 -10.905 4.700 7.328 1.00 0.00 C ATOM 234 C ALA A 17 -9.824 3.858 8.002 1.00 0.00 C ATOM 235 O ALA A 17 -9.654 2.685 7.674 1.00 0.00 O ATOM 236 CB ALA A 17 -12.289 4.250 7.773 1.00 0.00 C ATOM 0 H ALA A 17 -10.528 3.675 5.543 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.773 5.740 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.365 4.327 8.858 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.044 4.885 7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -12.450 3.215 7.471 1.00 0.00 H new ATOM 242 N ILE A 18 -9.084 4.457 8.931 1.00 0.00 N ATOM 243 CA ILE A 18 -8.015 3.746 9.621 1.00 0.00 C ATOM 244 C ILE A 18 -8.504 3.145 10.938 1.00 0.00 C ATOM 245 O ILE A 18 -9.185 3.807 11.722 1.00 0.00 O ATOM 246 CB ILE A 18 -6.805 4.680 9.880 1.00 0.00 C ATOM 247 CG1 ILE A 18 -5.614 4.265 9.015 1.00 0.00 C ATOM 248 CG2 ILE A 18 -6.417 4.690 11.352 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.543 5.004 7.695 1.00 0.00 C ATOM 0 H ILE A 18 -9.205 5.427 9.221 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.696 2.931 8.971 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.101 5.693 9.606 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.693 4.439 9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.671 3.194 8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.566 5.354 11.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.259 5.042 11.948 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.148 3.681 11.664 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.675 4.661 7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.448 4.810 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.455 6.074 7.882 1.00 0.00 H new ATOM 261 N ASN A 19 -8.142 1.889 11.171 1.00 0.00 N ATOM 262 CA ASN A 19 -8.525 1.191 12.384 1.00 0.00 C ATOM 263 C ASN A 19 -7.331 1.048 13.325 1.00 0.00 C ATOM 264 O ASN A 19 -6.957 -0.061 13.709 1.00 0.00 O ATOM 265 CB ASN A 19 -9.098 -0.187 12.047 1.00 0.00 C ATOM 266 CG ASN A 19 -10.546 -0.117 11.600 1.00 0.00 C ATOM 267 OD1 ASN A 19 -11.148 0.956 11.571 1.00 0.00 O ATOM 268 ND2 ASN A 19 -11.113 -1.266 11.249 1.00 0.00 N ATOM 0 H ASN A 19 -7.579 1.333 10.528 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.293 1.778 12.887 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.499 -0.644 11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -9.021 -0.833 12.921 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.085 -1.282 10.940 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.576 -2.133 11.288 1.00 0.00 H new ATOM 275 N GLU A 20 -6.735 2.180 13.690 1.00 0.00 N ATOM 276 CA GLU A 20 -5.582 2.191 14.585 1.00 0.00 C ATOM 277 C GLU A 20 -5.984 1.815 16.010 1.00 0.00 C ATOM 278 O GLU A 20 -5.127 1.560 16.856 1.00 0.00 O ATOM 279 CB GLU A 20 -4.923 3.572 14.584 1.00 0.00 C ATOM 280 CG GLU A 20 -3.836 3.728 13.535 1.00 0.00 C ATOM 281 CD GLU A 20 -3.405 5.170 13.354 1.00 0.00 C ATOM 282 OE1 GLU A 20 -4.288 6.039 13.199 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.183 5.431 13.368 1.00 0.00 O ATOM 0 H GLU A 20 -7.033 3.104 13.378 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.871 1.450 14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.688 4.330 14.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.496 3.762 15.569 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.972 3.127 13.820 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.196 3.338 12.583 1.00 0.00 H new ATOM 290 N ASP A 21 -7.289 1.776 16.272 1.00 0.00 N ATOM 291 CA ASP A 21 -7.788 1.424 17.593 1.00 0.00 C ATOM 292 C ASP A 21 -7.648 -0.072 17.829 1.00 0.00 C ATOM 293 O ASP A 21 -7.552 -0.527 18.968 1.00 0.00 O ATOM 294 CB ASP A 21 -9.252 1.844 17.740 1.00 0.00 C ATOM 295 CG ASP A 21 -9.677 1.963 19.190 1.00 0.00 C ATOM 296 OD1 ASP A 21 -9.096 1.255 20.039 1.00 0.00 O ATOM 297 OD2 ASP A 21 -10.591 2.765 19.477 1.00 0.00 O ATOM 0 H ASP A 21 -8.016 1.984 15.587 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.195 1.955 18.338 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.405 2.800 17.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.888 1.116 17.236 1.00 0.00 H new ATOM 302 N VAL A 22 -7.634 -0.834 16.739 1.00 0.00 N ATOM 303 CA VAL A 22 -7.500 -2.277 16.824 1.00 0.00 C ATOM 304 C VAL A 22 -6.035 -2.676 16.987 1.00 0.00 C ATOM 305 O VAL A 22 -5.141 -2.022 16.450 1.00 0.00 O ATOM 306 CB VAL A 22 -8.096 -2.971 15.580 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.229 -2.730 14.351 1.00 0.00 C ATOM 308 CG2 VAL A 22 -8.281 -4.461 15.835 1.00 0.00 C ATOM 0 H VAL A 22 -7.714 -0.472 15.789 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.057 -2.605 17.701 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.076 -2.535 15.385 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.672 -3.230 13.490 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.164 -1.660 14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.230 -3.128 14.527 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.702 -4.933 14.947 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.316 -4.914 16.063 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.958 -4.605 16.677 1.00 0.00 H new ATOM 318 N SER A 23 -5.795 -3.746 17.738 1.00 0.00 N ATOM 319 CA SER A 23 -4.437 -4.228 17.981 1.00 0.00 C ATOM 320 C SER A 23 -3.629 -4.318 16.684 1.00 0.00 C ATOM 321 O SER A 23 -2.612 -3.641 16.532 1.00 0.00 O ATOM 322 CB SER A 23 -4.476 -5.595 18.666 1.00 0.00 C ATOM 323 OG SER A 23 -4.549 -5.459 20.074 1.00 0.00 O ATOM 0 H SER A 23 -6.524 -4.298 18.190 1.00 0.00 H new ATOM 0 HA SER A 23 -3.944 -3.509 18.635 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.336 -6.160 18.307 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.586 -6.165 18.398 1.00 0.00 H new ATOM 0 HG SER A 23 -4.574 -6.347 20.488 1.00 0.00 H new ATOM 329 N PRO A 24 -4.066 -5.163 15.733 1.00 0.00 N ATOM 330 CA PRO A 24 -3.370 -5.342 14.452 1.00 0.00 C ATOM 331 C PRO A 24 -3.257 -4.050 13.642 1.00 0.00 C ATOM 332 O PRO A 24 -2.452 -3.965 12.717 1.00 0.00 O ATOM 333 CB PRO A 24 -4.236 -6.365 13.703 1.00 0.00 C ATOM 334 CG PRO A 24 -5.556 -6.340 14.394 1.00 0.00 C ATOM 335 CD PRO A 24 -5.261 -6.016 15.829 1.00 0.00 C ATOM 0 HA PRO A 24 -2.340 -5.663 14.607 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.337 -6.100 12.651 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.791 -7.359 13.740 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.215 -5.592 13.952 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.061 -7.302 14.306 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.092 -5.495 16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.070 -6.915 16.415 1.00 0.00 H new ATOM 343 N ALA A 25 -4.069 -3.051 13.988 1.00 0.00 N ATOM 344 CA ALA A 25 -4.060 -1.768 13.283 1.00 0.00 C ATOM 345 C ALA A 25 -4.132 -1.968 11.772 1.00 0.00 C ATOM 346 O ALA A 25 -3.166 -2.399 11.143 1.00 0.00 O ATOM 347 CB ALA A 25 -2.826 -0.962 13.650 1.00 0.00 C ATOM 0 H ALA A 25 -4.742 -3.105 14.753 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.945 -1.212 13.594 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.839 -0.012 13.115 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.820 -0.774 14.724 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.931 -1.521 13.375 1.00 0.00 H new ATOM 353 N GLU A 26 -5.285 -1.661 11.195 1.00 0.00 N ATOM 354 CA GLU A 26 -5.483 -1.822 9.766 1.00 0.00 C ATOM 355 C GLU A 26 -6.196 -0.620 9.157 1.00 0.00 C ATOM 356 O GLU A 26 -6.763 0.206 9.868 1.00 0.00 O ATOM 357 CB GLU A 26 -6.284 -3.095 9.490 1.00 0.00 C ATOM 358 CG GLU A 26 -7.692 -3.064 10.062 1.00 0.00 C ATOM 359 CD GLU A 26 -8.412 -4.390 9.910 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.832 -5.427 10.294 1.00 0.00 O ATOM 361 OE2 GLU A 26 -9.555 -4.390 9.408 1.00 0.00 O ATOM 0 H GLU A 26 -6.096 -1.299 11.696 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.500 -1.899 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.342 -3.252 8.413 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.750 -3.948 9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.645 -2.799 11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.266 -2.284 9.563 1.00 0.00 H new ATOM 368 N LEU A 27 -6.171 -0.544 7.831 1.00 0.00 N ATOM 369 CA LEU A 27 -6.821 0.533 7.108 1.00 0.00 C ATOM 370 C LEU A 27 -7.981 -0.036 6.299 1.00 0.00 C ATOM 371 O LEU A 27 -7.791 -0.914 5.457 1.00 0.00 O ATOM 372 CB LEU A 27 -5.824 1.227 6.177 1.00 0.00 C ATOM 373 CG LEU A 27 -6.425 2.298 5.265 1.00 0.00 C ATOM 374 CD1 LEU A 27 -5.372 3.325 4.881 1.00 0.00 C ATOM 375 CD2 LEU A 27 -7.029 1.660 4.022 1.00 0.00 C ATOM 0 H LEU A 27 -5.702 -1.225 7.234 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.197 1.268 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.043 1.685 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.344 0.471 5.556 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.219 2.809 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.818 4.079 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.985 3.804 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.556 2.830 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.452 2.436 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.254 1.123 3.475 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.814 0.963 4.316 1.00 0.00 H new ATOM 387 N THR A 28 -9.184 0.453 6.571 1.00 0.00 N ATOM 388 CA THR A 28 -10.375 -0.027 5.882 1.00 0.00 C ATOM 389 C THR A 28 -10.943 1.031 4.947 1.00 0.00 C ATOM 390 O THR A 28 -11.217 2.157 5.358 1.00 0.00 O ATOM 391 CB THR A 28 -11.440 -0.440 6.897 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.891 -1.294 7.884 1.00 0.00 O ATOM 393 CG2 THR A 28 -12.619 -1.155 6.273 1.00 0.00 C ATOM 0 H THR A 28 -9.361 1.181 7.263 1.00 0.00 H new ATOM 0 HA THR A 28 -10.085 -0.891 5.283 1.00 0.00 H new ATOM 0 HB THR A 28 -11.794 0.493 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.589 -1.545 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.337 -1.420 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 28 -13.098 -0.500 5.545 1.00 0.00 H new ATOM 0 HG23 THR A 28 -12.273 -2.061 5.775 1.00 0.00 H new ATOM 401 N TRP A 29 -11.124 0.655 3.688 1.00 0.00 N ATOM 402 CA TRP A 29 -11.669 1.564 2.688 1.00 0.00 C ATOM 403 C TRP A 29 -12.909 0.974 2.028 1.00 0.00 C ATOM 404 O TRP A 29 -12.969 -0.223 1.754 1.00 0.00 O ATOM 405 CB TRP A 29 -10.631 1.892 1.610 1.00 0.00 C ATOM 406 CG TRP A 29 -11.228 2.603 0.430 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.149 3.936 0.149 1.00 0.00 C ATOM 408 CD2 TRP A 29 -12.014 2.018 -0.616 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.850 4.220 -0.998 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.380 3.056 -1.494 1.00 0.00 C ATOM 411 CE3 TRP A 29 -12.444 0.716 -0.897 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -13.154 2.830 -2.631 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -13.213 0.497 -2.025 1.00 0.00 C ATOM 414 CH2 TRP A 29 -13.559 1.549 -2.880 1.00 0.00 C ATOM 0 H TRP A 29 -10.901 -0.275 3.334 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.943 2.482 3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -9.846 2.512 2.044 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -10.159 0.969 1.273 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.613 4.662 0.742 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.959 5.145 -1.413 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -12.180 -0.103 -0.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.424 3.640 -3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -13.552 -0.503 -2.250 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -14.158 1.344 -3.755 1.00 0.00 H new ATOM 425 N ARG A 30 -13.886 1.828 1.754 1.00 0.00 N ATOM 426 CA ARG A 30 -15.114 1.396 1.094 1.00 0.00 C ATOM 427 C ARG A 30 -15.528 2.394 0.029 1.00 0.00 C ATOM 428 O ARG A 30 -15.242 3.586 0.137 1.00 0.00 O ATOM 429 CB ARG A 30 -16.261 1.238 2.088 1.00 0.00 C ATOM 430 CG ARG A 30 -16.273 -0.101 2.792 1.00 0.00 C ATOM 431 CD ARG A 30 -17.408 -0.194 3.798 1.00 0.00 C ATOM 432 NE ARG A 30 -18.680 0.249 3.232 1.00 0.00 N ATOM 433 CZ ARG A 30 -19.740 0.588 3.963 1.00 0.00 C ATOM 434 NH1 ARG A 30 -19.684 0.536 5.288 1.00 0.00 N ATOM 435 NH2 ARG A 30 -20.858 0.979 3.368 1.00 0.00 N ATOM 0 H ARG A 30 -13.854 2.823 1.977 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.906 0.429 0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.196 2.030 2.834 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.207 1.371 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -16.372 -0.899 2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.321 -0.254 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.504 -1.224 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -17.169 0.413 4.671 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.761 0.302 2.217 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.826 0.235 5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.499 0.797 5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -20.906 1.020 2.350 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.670 1.239 3.928 1.00 0.00 H new ATOM 449 N SER A 31 -16.222 1.907 -0.989 1.00 0.00 N ATOM 450 CA SER A 31 -16.694 2.777 -2.060 1.00 0.00 C ATOM 451 C SER A 31 -17.528 3.916 -1.476 1.00 0.00 C ATOM 452 O SER A 31 -17.965 3.843 -0.328 1.00 0.00 O ATOM 453 CB SER A 31 -17.524 1.983 -3.070 1.00 0.00 C ATOM 454 OG SER A 31 -18.032 2.827 -4.089 1.00 0.00 O ATOM 0 H SER A 31 -16.470 0.924 -1.098 1.00 0.00 H new ATOM 0 HA SER A 31 -15.830 3.195 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.910 1.200 -3.515 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.349 1.488 -2.558 1.00 0.00 H new ATOM 0 HG SER A 31 -18.419 2.280 -4.804 1.00 0.00 H new ATOM 460 N THR A 32 -17.749 4.963 -2.261 1.00 0.00 N ATOM 461 CA THR A 32 -18.534 6.099 -1.797 1.00 0.00 C ATOM 462 C THR A 32 -19.967 5.679 -1.525 1.00 0.00 C ATOM 463 O THR A 32 -20.651 6.257 -0.681 1.00 0.00 O ATOM 464 CB THR A 32 -18.506 7.230 -2.813 1.00 0.00 C ATOM 465 OG1 THR A 32 -17.304 7.212 -3.561 1.00 0.00 O ATOM 466 CG2 THR A 32 -18.639 8.600 -2.184 1.00 0.00 C ATOM 0 H THR A 32 -17.399 5.049 -3.215 1.00 0.00 H new ATOM 0 HA THR A 32 -18.089 6.458 -0.869 1.00 0.00 H new ATOM 0 HB THR A 32 -19.368 7.057 -3.458 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.374 6.546 -4.276 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.612 9.362 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 32 -19.585 8.664 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.816 8.762 -1.488 1.00 0.00 H new ATOM 474 N ASP A 33 -20.406 4.662 -2.246 1.00 0.00 N ATOM 475 CA ASP A 33 -21.750 4.136 -2.098 1.00 0.00 C ATOM 476 C ASP A 33 -21.983 3.021 -3.105 1.00 0.00 C ATOM 477 O ASP A 33 -23.014 2.978 -3.777 1.00 0.00 O ATOM 478 CB ASP A 33 -22.791 5.244 -2.285 1.00 0.00 C ATOM 479 CG ASP A 33 -23.908 5.166 -1.263 1.00 0.00 C ATOM 480 OD1 ASP A 33 -24.423 4.052 -1.031 1.00 0.00 O ATOM 481 OD2 ASP A 33 -24.269 6.219 -0.696 1.00 0.00 O ATOM 0 H ASP A 33 -19.843 4.180 -2.947 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.856 3.735 -1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -22.301 6.215 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -23.214 5.176 -3.287 1.00 0.00 H new ATOM 486 N GLY A 34 -21.008 2.124 -3.214 1.00 0.00 N ATOM 487 CA GLY A 34 -21.122 1.025 -4.157 1.00 0.00 C ATOM 488 C GLY A 34 -21.125 -0.329 -3.483 1.00 0.00 C ATOM 489 O GLY A 34 -20.716 -1.326 -4.080 1.00 0.00 O ATOM 0 H GLY A 34 -20.145 2.137 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -22.040 1.141 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -20.294 1.072 -4.864 1.00 0.00 H new ATOM 493 N ASP A 35 -21.583 -0.368 -2.235 1.00 0.00 N ATOM 494 CA ASP A 35 -21.633 -1.613 -1.473 1.00 0.00 C ATOM 495 C ASP A 35 -20.335 -2.395 -1.627 1.00 0.00 C ATOM 496 O ASP A 35 -20.325 -3.626 -1.600 1.00 0.00 O ATOM 497 CB ASP A 35 -22.820 -2.468 -1.921 1.00 0.00 C ATOM 498 CG ASP A 35 -23.484 -3.187 -0.763 1.00 0.00 C ATOM 499 OD1 ASP A 35 -22.802 -3.990 -0.093 1.00 0.00 O ATOM 500 OD2 ASP A 35 -24.687 -2.946 -0.527 1.00 0.00 O ATOM 0 H ASP A 35 -21.925 0.449 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 35 -21.760 -1.360 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -23.553 -1.834 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.481 -3.200 -2.653 1.00 0.00 H new ATOM 505 N LYS A 36 -19.243 -1.661 -1.784 1.00 0.00 N ATOM 506 CA LYS A 36 -17.931 -2.256 -1.940 1.00 0.00 C ATOM 507 C LYS A 36 -17.079 -1.987 -0.708 1.00 0.00 C ATOM 508 O LYS A 36 -17.348 -1.054 0.048 1.00 0.00 O ATOM 509 CB LYS A 36 -17.239 -1.710 -3.190 1.00 0.00 C ATOM 510 CG LYS A 36 -17.660 -2.410 -4.472 1.00 0.00 C ATOM 511 CD LYS A 36 -16.458 -2.779 -5.328 1.00 0.00 C ATOM 512 CE LYS A 36 -16.773 -2.660 -6.811 1.00 0.00 C ATOM 513 NZ LYS A 36 -16.126 -3.741 -7.605 1.00 0.00 N ATOM 0 H LYS A 36 -19.245 -0.641 -1.806 1.00 0.00 H new ATOM 0 HA LYS A 36 -18.053 -3.333 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.455 -0.645 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.160 -1.807 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.224 -3.310 -4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.327 -1.761 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.620 -2.128 -5.080 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.148 -3.799 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.852 -2.699 -6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.437 -1.690 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.365 -3.624 -8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.094 -3.689 -7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.466 -4.666 -7.274 1.00 0.00 H new ATOM 527 N VAL A 37 -16.056 -2.806 -0.506 1.00 0.00 N ATOM 528 CA VAL A 37 -15.180 -2.647 0.640 1.00 0.00 C ATOM 529 C VAL A 37 -13.779 -3.174 0.348 1.00 0.00 C ATOM 530 O VAL A 37 -13.593 -4.056 -0.490 1.00 0.00 O ATOM 531 CB VAL A 37 -15.723 -3.385 1.883 1.00 0.00 C ATOM 532 CG1 VAL A 37 -15.149 -2.792 3.162 1.00 0.00 C ATOM 533 CG2 VAL A 37 -17.247 -3.368 1.913 1.00 0.00 C ATOM 0 H VAL A 37 -15.815 -3.584 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 37 -15.138 -1.577 0.842 1.00 0.00 H new ATOM 0 HB VAL A 37 -15.402 -4.425 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.547 -3.329 4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.063 -2.881 3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.426 -1.740 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -17.599 -3.895 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -17.599 -2.337 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -17.634 -3.860 1.021 1.00 0.00 H new ATOM 543 N HIS A 38 -12.803 -2.635 1.065 1.00 0.00 N ATOM 544 CA HIS A 38 -11.413 -3.045 0.922 1.00 0.00 C ATOM 545 C HIS A 38 -10.639 -2.683 2.183 1.00 0.00 C ATOM 546 O HIS A 38 -10.495 -1.509 2.515 1.00 0.00 O ATOM 547 CB HIS A 38 -10.779 -2.372 -0.297 1.00 0.00 C ATOM 548 CG HIS A 38 -9.827 -3.256 -1.042 1.00 0.00 C ATOM 549 ND1 HIS A 38 -9.478 -3.047 -2.359 1.00 0.00 N ATOM 550 CD2 HIS A 38 -9.147 -4.358 -0.645 1.00 0.00 C ATOM 551 CE1 HIS A 38 -8.627 -3.982 -2.742 1.00 0.00 C ATOM 552 NE2 HIS A 38 -8.409 -4.789 -1.720 1.00 0.00 N ATOM 0 H HIS A 38 -12.951 -1.903 1.760 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.377 -4.125 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.569 -2.049 -0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -10.251 -1.475 0.027 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -9.823 -2.288 -2.947 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -9.179 -4.813 0.334 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.185 -4.071 -3.723 1.00 0.00 H new ATOM 561 N THR A 39 -10.154 -3.696 2.892 1.00 0.00 N ATOM 562 CA THR A 39 -9.416 -3.478 4.122 1.00 0.00 C ATOM 563 C THR A 39 -8.095 -4.242 4.119 1.00 0.00 C ATOM 564 O THR A 39 -8.035 -5.391 3.680 1.00 0.00 O ATOM 565 CB THR A 39 -10.257 -3.911 5.324 1.00 0.00 C ATOM 566 OG1 THR A 39 -11.596 -3.457 5.200 1.00 0.00 O ATOM 567 CG2 THR A 39 -9.719 -3.404 6.644 1.00 0.00 C ATOM 0 H THR A 39 -10.261 -4.677 2.632 1.00 0.00 H new ATOM 0 HA THR A 39 -9.196 -2.413 4.195 1.00 0.00 H new ATOM 0 HB THR A 39 -10.213 -5.000 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.114 -3.748 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.362 -3.747 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.709 -3.785 6.796 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.698 -2.314 6.634 1.00 0.00 H new ATOM 575 N VAL A 40 -7.043 -3.605 4.622 1.00 0.00 N ATOM 576 CA VAL A 40 -5.730 -4.237 4.684 1.00 0.00 C ATOM 577 C VAL A 40 -5.092 -4.038 6.059 1.00 0.00 C ATOM 578 O VAL A 40 -5.148 -2.948 6.628 1.00 0.00 O ATOM 579 CB VAL A 40 -4.780 -3.699 3.587 1.00 0.00 C ATOM 580 CG1 VAL A 40 -5.537 -3.459 2.290 1.00 0.00 C ATOM 581 CG2 VAL A 40 -4.078 -2.428 4.045 1.00 0.00 C ATOM 0 H VAL A 40 -7.073 -2.655 4.992 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.883 -5.302 4.511 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.017 -4.455 3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.850 -3.081 1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.976 -4.396 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -6.328 -2.728 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.417 -2.072 3.255 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.821 -1.662 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.493 -2.638 4.940 1.00 0.00 H new ATOM 591 N VAL A 41 -4.488 -5.098 6.582 1.00 0.00 N ATOM 592 CA VAL A 41 -3.840 -5.048 7.887 1.00 0.00 C ATOM 593 C VAL A 41 -2.321 -5.074 7.747 1.00 0.00 C ATOM 594 O VAL A 41 -1.788 -5.675 6.817 1.00 0.00 O ATOM 595 CB VAL A 41 -4.291 -6.227 8.771 1.00 0.00 C ATOM 596 CG1 VAL A 41 -3.761 -7.547 8.230 1.00 0.00 C ATOM 597 CG2 VAL A 41 -3.848 -6.015 10.211 1.00 0.00 C ATOM 0 H VAL A 41 -4.433 -6.006 6.120 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.136 -4.112 8.361 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.380 -6.270 8.751 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.093 -8.363 8.872 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.138 -7.704 7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.671 -7.521 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.175 -6.857 10.820 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.761 -5.940 10.250 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.289 -5.096 10.596 1.00 0.00 H new ATOM 607 N LEU A 42 -1.627 -4.417 8.670 1.00 0.00 N ATOM 608 CA LEU A 42 -0.174 -4.368 8.634 1.00 0.00 C ATOM 609 C LEU A 42 0.441 -5.757 8.506 1.00 0.00 C ATOM 610 O LEU A 42 1.486 -5.927 7.877 1.00 0.00 O ATOM 611 CB LEU A 42 0.347 -3.676 9.878 1.00 0.00 C ATOM 612 CG LEU A 42 0.481 -2.163 9.743 1.00 0.00 C ATOM 613 CD1 LEU A 42 1.906 -1.782 9.370 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.504 -1.606 8.722 1.00 0.00 C ATOM 0 H LEU A 42 -2.048 -3.913 9.450 1.00 0.00 H new ATOM 0 HA LEU A 42 0.119 -3.801 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.322 -3.897 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.321 -4.094 10.132 1.00 0.00 H new ATOM 0 HG LEU A 42 0.244 -1.722 10.711 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.981 -0.698 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.590 -2.129 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.170 -2.245 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.382 -0.525 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.314 -2.058 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.522 -1.836 9.036 1.00 0.00 H new ATOM 626 N SER A 43 -0.209 -6.746 9.109 1.00 0.00 N ATOM 627 CA SER A 43 0.279 -8.121 9.064 1.00 0.00 C ATOM 628 C SER A 43 0.573 -8.556 7.630 1.00 0.00 C ATOM 629 O SER A 43 1.441 -9.396 7.392 1.00 0.00 O ATOM 630 CB SER A 43 -0.742 -9.068 9.698 1.00 0.00 C ATOM 631 OG SER A 43 -0.098 -10.121 10.393 1.00 0.00 O ATOM 0 H SER A 43 -1.074 -6.622 9.635 1.00 0.00 H new ATOM 0 HA SER A 43 1.209 -8.165 9.631 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.381 -8.512 10.384 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.389 -9.481 8.924 1.00 0.00 H new ATOM 0 HG SER A 43 -0.772 -10.711 10.790 1.00 0.00 H new ATOM 637 N THR A 44 -0.151 -7.975 6.677 1.00 0.00 N ATOM 638 CA THR A 44 0.037 -8.299 5.269 1.00 0.00 C ATOM 639 C THR A 44 0.776 -7.171 4.555 1.00 0.00 C ATOM 640 O THR A 44 1.377 -7.377 3.504 1.00 0.00 O ATOM 641 CB THR A 44 -1.318 -8.556 4.608 1.00 0.00 C ATOM 642 OG1 THR A 44 -1.176 -9.388 3.471 1.00 0.00 O ATOM 643 CG2 THR A 44 -2.031 -7.295 4.170 1.00 0.00 C ATOM 0 H THR A 44 -0.873 -7.277 6.856 1.00 0.00 H new ATOM 0 HA THR A 44 0.641 -9.203 5.194 1.00 0.00 H new ATOM 0 HB THR A 44 -1.919 -9.039 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.055 -9.540 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.984 -7.557 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.209 -6.658 5.036 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.414 -6.761 3.447 1.00 0.00 H new ATOM 651 N ILE A 45 0.715 -5.981 5.141 1.00 0.00 N ATOM 652 CA ILE A 45 1.372 -4.802 4.581 1.00 0.00 C ATOM 653 C ILE A 45 2.237 -4.119 5.640 1.00 0.00 C ATOM 654 O ILE A 45 1.718 -3.474 6.548 1.00 0.00 O ATOM 655 CB ILE A 45 0.332 -3.795 4.025 1.00 0.00 C ATOM 656 CG1 ILE A 45 0.967 -2.410 3.790 1.00 0.00 C ATOM 657 CG2 ILE A 45 -0.870 -3.699 4.958 1.00 0.00 C ATOM 658 CD1 ILE A 45 0.547 -1.346 4.786 1.00 0.00 C ATOM 0 H ILE A 45 0.213 -5.805 6.011 1.00 0.00 H new ATOM 0 HA ILE A 45 2.007 -5.133 3.759 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.015 -4.163 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.052 -2.512 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.709 -2.072 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.590 -2.988 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.339 -4.679 5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.541 -3.362 5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.042 -0.405 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.533 -1.210 4.739 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.830 -1.657 5.792 1.00 0.00 H new ATOM 670 N ASP A 46 3.556 -4.265 5.530 1.00 0.00 N ATOM 671 CA ASP A 46 4.458 -3.656 6.504 1.00 0.00 C ATOM 672 C ASP A 46 5.317 -2.563 5.887 1.00 0.00 C ATOM 673 O ASP A 46 6.410 -2.271 6.372 1.00 0.00 O ATOM 674 CB ASP A 46 5.345 -4.722 7.150 1.00 0.00 C ATOM 675 CG ASP A 46 5.518 -4.505 8.640 1.00 0.00 C ATOM 676 OD1 ASP A 46 5.626 -3.334 9.061 1.00 0.00 O ATOM 677 OD2 ASP A 46 5.545 -5.506 9.387 1.00 0.00 O ATOM 0 H ASP A 46 4.018 -4.791 4.788 1.00 0.00 H new ATOM 0 HA ASP A 46 3.837 -3.191 7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.910 -5.706 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.323 -4.717 6.669 1.00 0.00 H new ATOM 682 N LYS A 47 4.813 -1.954 4.826 1.00 0.00 N ATOM 683 CA LYS A 47 5.535 -0.878 4.149 1.00 0.00 C ATOM 684 C LYS A 47 4.581 0.001 3.348 1.00 0.00 C ATOM 685 O LYS A 47 3.625 -0.486 2.747 1.00 0.00 O ATOM 686 CB LYS A 47 6.630 -1.441 3.236 1.00 0.00 C ATOM 687 CG LYS A 47 6.959 -2.901 3.500 1.00 0.00 C ATOM 688 CD LYS A 47 8.008 -3.421 2.531 1.00 0.00 C ATOM 689 CE LYS A 47 9.399 -3.385 3.142 1.00 0.00 C ATOM 690 NZ LYS A 47 10.441 -3.834 2.177 1.00 0.00 N ATOM 0 H LYS A 47 3.909 -2.182 4.412 1.00 0.00 H new ATOM 0 HA LYS A 47 6.007 -0.264 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.316 -1.331 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.535 -0.846 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.319 -3.014 4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.053 -3.501 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.763 -4.443 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.994 -2.821 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.624 -2.371 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.424 -4.022 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.375 -3.795 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.241 -4.810 1.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.435 -3.211 1.345 1.00 0.00 H new ATOM 704 N LEU A 48 4.849 1.303 3.351 1.00 0.00 N ATOM 705 CA LEU A 48 4.018 2.261 2.631 1.00 0.00 C ATOM 706 C LEU A 48 4.869 3.130 1.704 1.00 0.00 C ATOM 707 O LEU A 48 6.070 3.294 1.918 1.00 0.00 O ATOM 708 CB LEU A 48 3.256 3.146 3.620 1.00 0.00 C ATOM 709 CG LEU A 48 4.122 4.115 4.427 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.314 5.335 4.840 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.702 3.419 5.649 1.00 0.00 C ATOM 0 H LEU A 48 5.638 1.720 3.846 1.00 0.00 H new ATOM 0 HA LEU A 48 3.304 1.704 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.512 3.721 3.069 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.713 2.504 4.314 1.00 0.00 H new ATOM 0 HG LEU A 48 4.947 4.447 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.946 6.013 5.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.947 5.846 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.469 5.021 5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.315 4.123 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.891 3.058 6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.316 2.577 5.331 1.00 0.00 H new ATOM 723 N GLN A 49 4.234 3.689 0.680 1.00 0.00 N ATOM 724 CA GLN A 49 4.917 4.550 -0.283 1.00 0.00 C ATOM 725 C GLN A 49 4.019 5.726 -0.664 1.00 0.00 C ATOM 726 O GLN A 49 2.916 5.532 -1.174 1.00 0.00 O ATOM 727 CB GLN A 49 5.293 3.752 -1.534 1.00 0.00 C ATOM 728 CG GLN A 49 6.714 4.002 -2.011 1.00 0.00 C ATOM 729 CD GLN A 49 7.744 3.761 -0.924 1.00 0.00 C ATOM 730 OE1 GLN A 49 8.570 4.627 -0.634 1.00 0.00 O ATOM 731 NE2 GLN A 49 7.700 2.581 -0.318 1.00 0.00 N ATOM 0 H GLN A 49 3.239 3.561 0.493 1.00 0.00 H new ATOM 0 HA GLN A 49 5.828 4.934 0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.170 2.689 -1.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.600 4.003 -2.337 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.928 3.353 -2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.799 5.029 -2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.998 1.893 -0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.368 2.362 0.421 1.00 0.00 H new ATOM 740 N ALA A 50 4.490 6.941 -0.409 1.00 0.00 N ATOM 741 CA ALA A 50 3.718 8.140 -0.722 1.00 0.00 C ATOM 742 C ALA A 50 4.567 9.163 -1.469 1.00 0.00 C ATOM 743 O ALA A 50 5.794 9.070 -1.490 1.00 0.00 O ATOM 744 CB ALA A 50 3.153 8.751 0.552 1.00 0.00 C ATOM 0 H ALA A 50 5.401 7.123 0.013 1.00 0.00 H new ATOM 0 HA ALA A 50 2.892 7.850 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.580 9.644 0.304 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.503 8.028 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.971 9.019 1.221 1.00 0.00 H new ATOM 750 N THR A 51 3.904 10.139 -2.081 1.00 0.00 N ATOM 751 CA THR A 51 4.597 11.182 -2.829 1.00 0.00 C ATOM 752 C THR A 51 5.141 12.254 -1.887 1.00 0.00 C ATOM 753 O THR A 51 4.768 12.308 -0.715 1.00 0.00 O ATOM 754 CB THR A 51 3.655 11.815 -3.858 1.00 0.00 C ATOM 755 OG1 THR A 51 2.317 11.400 -3.641 1.00 0.00 O ATOM 756 CG2 THR A 51 4.015 11.470 -5.287 1.00 0.00 C ATOM 0 H THR A 51 2.888 10.229 -2.074 1.00 0.00 H new ATOM 0 HA THR A 51 5.436 10.724 -3.353 1.00 0.00 H new ATOM 0 HB THR A 51 3.760 12.891 -3.720 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.243 10.437 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.310 11.949 -5.966 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.023 11.823 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.972 10.389 -5.422 1.00 0.00 H new ATOM 764 N PRO A 52 6.035 13.124 -2.388 1.00 0.00 N ATOM 765 CA PRO A 52 6.630 14.196 -1.583 1.00 0.00 C ATOM 766 C PRO A 52 5.598 15.224 -1.134 1.00 0.00 C ATOM 767 O PRO A 52 4.568 15.409 -1.783 1.00 0.00 O ATOM 768 CB PRO A 52 7.650 14.836 -2.529 1.00 0.00 C ATOM 769 CG PRO A 52 7.180 14.484 -3.897 1.00 0.00 C ATOM 770 CD PRO A 52 6.536 13.133 -3.775 1.00 0.00 C ATOM 0 HA PRO A 52 7.070 13.814 -0.662 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.692 15.917 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.654 14.452 -2.345 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.470 15.223 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.011 14.458 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.729 13.005 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.250 12.329 -3.951 1.00 0.00 H new ATOM 778 N ALA A 53 5.880 15.891 -0.020 1.00 0.00 N ATOM 779 CA ALA A 53 4.976 16.900 0.518 1.00 0.00 C ATOM 780 C ALA A 53 4.872 18.100 -0.417 1.00 0.00 C ATOM 781 O ALA A 53 3.794 18.665 -0.600 1.00 0.00 O ATOM 782 CB ALA A 53 5.442 17.343 1.897 1.00 0.00 C ATOM 0 H ALA A 53 6.729 15.751 0.528 1.00 0.00 H new ATOM 0 HA ALA A 53 3.985 16.454 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.758 18.097 2.287 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.458 16.485 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.444 17.765 1.824 1.00 0.00 H new ATOM 788 N SER A 54 6.000 18.485 -1.006 1.00 0.00 N ATOM 789 CA SER A 54 6.034 19.620 -1.923 1.00 0.00 C ATOM 790 C SER A 54 5.098 19.397 -3.106 1.00 0.00 C ATOM 791 O SER A 54 4.614 20.350 -3.717 1.00 0.00 O ATOM 792 CB SER A 54 7.460 19.858 -2.422 1.00 0.00 C ATOM 793 OG SER A 54 7.788 18.966 -3.473 1.00 0.00 O ATOM 0 H SER A 54 6.901 18.029 -0.865 1.00 0.00 H new ATOM 0 HA SER A 54 5.695 20.502 -1.379 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.560 20.886 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.163 19.729 -1.599 1.00 0.00 H new ATOM 0 HG SER A 54 8.704 19.140 -3.776 1.00 0.00 H new ATOM 799 N SER A 55 4.849 18.133 -3.422 1.00 0.00 N ATOM 800 CA SER A 55 3.973 17.779 -4.529 1.00 0.00 C ATOM 801 C SER A 55 2.518 18.089 -4.194 1.00 0.00 C ATOM 802 O SER A 55 1.928 17.466 -3.311 1.00 0.00 O ATOM 803 CB SER A 55 4.125 16.297 -4.874 1.00 0.00 C ATOM 804 OG SER A 55 5.095 16.106 -5.890 1.00 0.00 O ATOM 0 H SER A 55 5.243 17.334 -2.925 1.00 0.00 H new ATOM 0 HA SER A 55 4.262 18.377 -5.393 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.414 15.741 -3.982 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.166 15.897 -5.203 1.00 0.00 H new ATOM 0 HG SER A 55 5.174 15.150 -6.091 1.00 0.00 H new ATOM 810 N GLU A 56 1.944 19.055 -4.904 1.00 0.00 N ATOM 811 CA GLU A 56 0.557 19.447 -4.682 1.00 0.00 C ATOM 812 C GLU A 56 -0.383 18.261 -4.880 1.00 0.00 C ATOM 813 O GLU A 56 -1.454 18.197 -4.276 1.00 0.00 O ATOM 814 CB GLU A 56 0.168 20.583 -5.629 1.00 0.00 C ATOM 815 CG GLU A 56 0.294 20.220 -7.100 1.00 0.00 C ATOM 816 CD GLU A 56 1.547 20.790 -7.735 1.00 0.00 C ATOM 817 OE1 GLU A 56 1.905 21.942 -7.413 1.00 0.00 O ATOM 818 OE2 GLU A 56 2.170 20.084 -8.555 1.00 0.00 O ATOM 0 H GLU A 56 2.418 19.581 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 56 0.465 19.793 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.860 20.880 -5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.797 21.449 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.300 19.135 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.581 20.587 -7.637 1.00 0.00 H new ATOM 825 N LYS A 57 0.026 17.323 -5.729 1.00 0.00 N ATOM 826 CA LYS A 57 -0.778 16.138 -6.007 1.00 0.00 C ATOM 827 C LYS A 57 -1.043 15.347 -4.728 1.00 0.00 C ATOM 828 O LYS A 57 -0.822 15.840 -3.622 1.00 0.00 O ATOM 829 CB LYS A 57 -0.071 15.250 -7.036 1.00 0.00 C ATOM 830 CG LYS A 57 -1.002 14.687 -8.098 1.00 0.00 C ATOM 831 CD LYS A 57 -0.396 13.473 -8.785 1.00 0.00 C ATOM 832 CE LYS A 57 -0.130 12.345 -7.800 1.00 0.00 C ATOM 833 NZ LYS A 57 1.264 12.379 -7.276 1.00 0.00 N ATOM 0 H LYS A 57 0.910 17.361 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.735 16.464 -6.414 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.715 15.828 -7.523 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.416 14.424 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.952 14.411 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.217 15.456 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.070 13.123 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.536 13.758 -9.273 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.832 12.416 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.311 11.387 -8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.754 11.499 -7.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.769 13.190 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.243 12.472 -6.240 1.00 0.00 H new ATOM 847 N MET A 58 -1.515 14.115 -4.891 1.00 0.00 N ATOM 848 CA MET A 58 -1.809 13.248 -3.760 1.00 0.00 C ATOM 849 C MET A 58 -1.945 11.801 -4.220 1.00 0.00 C ATOM 850 O MET A 58 -2.947 11.422 -4.826 1.00 0.00 O ATOM 851 CB MET A 58 -3.088 13.705 -3.056 1.00 0.00 C ATOM 852 CG MET A 58 -4.246 13.964 -4.005 1.00 0.00 C ATOM 853 SD MET A 58 -4.275 15.659 -4.619 1.00 0.00 S ATOM 854 CE MET A 58 -4.326 16.576 -3.081 1.00 0.00 C ATOM 0 H MET A 58 -1.702 13.695 -5.801 1.00 0.00 H new ATOM 0 HA MET A 58 -0.982 13.310 -3.053 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.385 12.946 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.878 14.616 -2.495 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.180 13.277 -4.849 1.00 0.00 H new ATOM 0 HG3 MET A 58 -5.185 13.751 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.184 17.248 -3.086 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.415 15.881 -2.246 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.410 17.158 -2.974 1.00 0.00 H new ATOM 864 N MET A 59 -0.922 11.000 -3.941 1.00 0.00 N ATOM 865 CA MET A 59 -0.915 9.597 -4.339 1.00 0.00 C ATOM 866 C MET A 59 -0.084 8.762 -3.363 1.00 0.00 C ATOM 867 O MET A 59 1.033 9.142 -3.013 1.00 0.00 O ATOM 868 CB MET A 59 -0.331 9.479 -5.753 1.00 0.00 C ATOM 869 CG MET A 59 -1.171 8.658 -6.719 1.00 0.00 C ATOM 870 SD MET A 59 -0.376 8.448 -8.330 1.00 0.00 S ATOM 871 CE MET A 59 1.231 7.789 -7.874 1.00 0.00 C ATOM 0 H MET A 59 -0.086 11.299 -3.440 1.00 0.00 H new ATOM 0 HA MET A 59 -1.937 9.219 -4.327 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.203 10.481 -6.164 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.661 9.033 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.365 7.678 -6.283 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.138 9.143 -6.856 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.871 7.748 -8.756 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.689 8.433 -7.123 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.110 6.785 -7.466 1.00 0.00 H new ATOM 881 N LEU A 60 -0.623 7.620 -2.935 1.00 0.00 N ATOM 882 CA LEU A 60 0.100 6.741 -2.015 1.00 0.00 C ATOM 883 C LEU A 60 -0.200 5.271 -2.302 1.00 0.00 C ATOM 884 O LEU A 60 -1.205 4.940 -2.931 1.00 0.00 O ATOM 885 CB LEU A 60 -0.217 7.068 -0.549 1.00 0.00 C ATOM 886 CG LEU A 60 -1.513 7.840 -0.297 1.00 0.00 C ATOM 887 CD1 LEU A 60 -1.864 7.806 1.182 1.00 0.00 C ATOM 888 CD2 LEU A 60 -1.383 9.276 -0.780 1.00 0.00 C ATOM 0 H LEU A 60 -1.547 7.284 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 60 1.163 6.917 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.261 6.133 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.612 7.646 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.316 7.363 -0.858 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.788 8.359 1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.997 6.772 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.059 8.263 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.315 9.809 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.570 9.767 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.171 9.282 -1.849 1.00 0.00 H new ATOM 900 N ARG A 61 0.684 4.396 -1.830 1.00 0.00 N ATOM 901 CA ARG A 61 0.531 2.957 -2.024 1.00 0.00 C ATOM 902 C ARG A 61 1.199 2.189 -0.887 1.00 0.00 C ATOM 903 O ARG A 61 2.246 2.592 -0.387 1.00 0.00 O ATOM 904 CB ARG A 61 1.116 2.524 -3.374 1.00 0.00 C ATOM 905 CG ARG A 61 2.607 2.219 -3.336 1.00 0.00 C ATOM 906 CD ARG A 61 3.037 1.360 -4.513 1.00 0.00 C ATOM 907 NE ARG A 61 4.429 0.929 -4.389 1.00 0.00 N ATOM 908 CZ ARG A 61 5.169 0.501 -5.409 1.00 0.00 C ATOM 909 NH1 ARG A 61 4.656 0.445 -6.631 1.00 0.00 N ATOM 910 NH2 ARG A 61 6.425 0.127 -5.206 1.00 0.00 N ATOM 0 H ARG A 61 1.519 4.661 -1.307 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.534 2.726 -2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.584 1.639 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.936 3.312 -4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.169 3.153 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.850 1.707 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.390 0.485 -4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.911 1.922 -5.439 1.00 0.00 H new ATOM 0 HE ARG A 61 4.859 0.958 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.690 0.731 -6.792 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.227 0.116 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.824 0.167 -4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.992 -0.201 -5.988 1.00 0.00 H new ATOM 924 N LEU A 62 0.590 1.084 -0.488 1.00 0.00 N ATOM 925 CA LEU A 62 1.130 0.261 0.589 1.00 0.00 C ATOM 926 C LEU A 62 1.590 -1.089 0.070 1.00 0.00 C ATOM 927 O LEU A 62 0.927 -1.724 -0.749 1.00 0.00 O ATOM 928 CB LEU A 62 0.112 0.086 1.716 1.00 0.00 C ATOM 929 CG LEU A 62 -1.014 1.125 1.755 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.297 0.547 1.178 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.240 1.611 3.178 1.00 0.00 C ATOM 0 H LEU A 62 -0.279 0.734 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 62 1.997 0.782 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.334 -0.905 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.642 0.114 2.668 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.717 1.976 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.084 1.300 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.128 0.248 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.599 -0.322 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.043 2.348 3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.514 0.767 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.325 2.066 3.557 1.00 0.00 H new ATOM 943 N ILE A 63 2.751 -1.498 0.551 1.00 0.00 N ATOM 944 CA ILE A 63 3.364 -2.750 0.156 1.00 0.00 C ATOM 945 C ILE A 63 2.883 -3.903 1.035 1.00 0.00 C ATOM 946 O ILE A 63 2.688 -3.739 2.235 1.00 0.00 O ATOM 947 CB ILE A 63 4.897 -2.617 0.249 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.497 -2.338 -1.125 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.518 -3.846 0.873 1.00 0.00 C ATOM 950 CD1 ILE A 63 5.710 -0.865 -1.384 1.00 0.00 C ATOM 0 H ILE A 63 3.296 -0.967 1.230 1.00 0.00 H new ATOM 0 HA ILE A 63 3.074 -2.971 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 63 5.122 -1.770 0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.450 -2.859 -1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.840 -2.746 -1.893 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.600 -3.721 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.121 -3.984 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.282 -4.721 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.139 -0.728 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.755 -0.344 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.390 -0.459 -0.636 1.00 0.00 H new ATOM 962 N GLY A 64 2.703 -5.073 0.428 1.00 0.00 N ATOM 963 CA GLY A 64 2.255 -6.235 1.172 1.00 0.00 C ATOM 964 C GLY A 64 3.410 -7.034 1.743 1.00 0.00 C ATOM 965 O GLY A 64 3.388 -8.262 1.722 1.00 0.00 O ATOM 0 H GLY A 64 2.860 -5.236 -0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.602 -5.914 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.661 -6.875 0.519 1.00 0.00 H new ATOM 969 N LYS A 65 4.409 -6.319 2.261 1.00 0.00 N ATOM 970 CA LYS A 65 5.609 -6.911 2.862 1.00 0.00 C ATOM 971 C LYS A 65 6.103 -8.154 2.119 1.00 0.00 C ATOM 972 O LYS A 65 5.320 -8.976 1.650 1.00 0.00 O ATOM 973 CB LYS A 65 5.373 -7.242 4.333 1.00 0.00 C ATOM 974 CG LYS A 65 4.140 -8.090 4.586 1.00 0.00 C ATOM 975 CD LYS A 65 4.419 -9.572 4.378 1.00 0.00 C ATOM 976 CE LYS A 65 4.394 -10.334 5.694 1.00 0.00 C ATOM 977 NZ LYS A 65 4.675 -11.783 5.501 1.00 0.00 N ATOM 0 H LYS A 65 4.410 -5.299 2.276 1.00 0.00 H new ATOM 0 HA LYS A 65 6.392 -6.157 2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.247 -7.765 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.283 -6.312 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.789 -7.926 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.339 -7.774 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.676 -9.991 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.392 -9.697 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.132 -9.908 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.419 -10.213 6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.649 -12.267 6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.956 -12.195 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.616 -11.900 5.075 1.00 0.00 H new ATOM 991 N VAL A 66 7.420 -8.285 2.024 1.00 0.00 N ATOM 992 CA VAL A 66 8.028 -9.413 1.351 1.00 0.00 C ATOM 993 C VAL A 66 9.057 -10.105 2.239 1.00 0.00 C ATOM 994 O VAL A 66 8.845 -10.266 3.441 1.00 0.00 O ATOM 995 CB VAL A 66 8.662 -8.999 0.021 1.00 0.00 C ATOM 996 CG1 VAL A 66 8.843 -10.221 -0.874 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.824 -7.938 -0.679 1.00 0.00 C ATOM 0 H VAL A 66 8.087 -7.616 2.409 1.00 0.00 H new ATOM 0 HA VAL A 66 7.230 -10.124 1.138 1.00 0.00 H new ATOM 0 HB VAL A 66 9.641 -8.566 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.295 -9.917 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.491 -10.943 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.872 -10.678 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.298 -7.663 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.827 -8.333 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.745 -7.057 -0.042 1.00 0.00 H new ATOM 1311 N ARG A 86 2.049 -5.045 -4.380 1.00 0.00 N ATOM 1312 CA ARG A 86 1.462 -3.971 -3.591 1.00 0.00 C ATOM 1313 C ARG A 86 0.251 -3.355 -4.288 1.00 0.00 C ATOM 1314 O ARG A 86 0.075 -3.496 -5.498 1.00 0.00 O ATOM 1315 CB ARG A 86 2.520 -2.900 -3.314 1.00 0.00 C ATOM 1316 CG ARG A 86 2.796 -1.972 -4.488 1.00 0.00 C ATOM 1317 CD ARG A 86 3.489 -2.700 -5.629 1.00 0.00 C ATOM 1318 NE ARG A 86 2.568 -3.011 -6.719 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.951 -3.499 -7.897 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.234 -3.731 -8.141 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.047 -3.754 -8.834 1.00 0.00 N ATOM 0 HA ARG A 86 1.114 -4.393 -2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.200 -2.302 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.450 -3.391 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.858 -1.547 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.417 -1.140 -4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.305 -2.085 -6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.932 -3.623 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 86 1.573 -2.845 -6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.933 -3.535 -7.424 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.522 -4.105 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.059 -3.576 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.340 -4.128 -9.737 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.571 -2.659 -3.509 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.762 -2.000 -4.031 1.00 0.00 C ATOM 1337 C HIS A 87 -1.664 -0.498 -3.799 1.00 0.00 C ATOM 1338 O HIS A 87 -1.028 -0.054 -2.843 1.00 0.00 O ATOM 1339 CB HIS A 87 -3.023 -2.556 -3.364 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.861 -2.821 -1.898 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.435 -2.019 -0.894 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -3.149 -4.038 -1.318 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 -2.473 -2.759 0.262 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -2.909 -3.973 -0.020 1.00 0.00 N flip ATOM 0 H HIS A 87 -0.432 -2.537 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.827 -2.194 -5.102 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.841 -1.851 -3.509 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.309 -3.482 -3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -3.514 -4.909 -1.843 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.192 -2.405 1.243 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.038 -4.731 0.650 1.00 0.00 H new ATOM 1353 N MET A 88 -2.277 0.288 -4.677 1.00 0.00 N ATOM 1354 CA MET A 88 -2.222 1.738 -4.546 1.00 0.00 C ATOM 1355 C MET A 88 -3.585 2.390 -4.747 1.00 0.00 C ATOM 1356 O MET A 88 -4.443 1.868 -5.458 1.00 0.00 O ATOM 1357 CB MET A 88 -1.211 2.320 -5.535 1.00 0.00 C ATOM 1358 CG MET A 88 -1.702 2.374 -6.979 1.00 0.00 C ATOM 1359 SD MET A 88 -2.613 3.885 -7.363 1.00 0.00 S ATOM 1360 CE MET A 88 -2.848 3.708 -9.133 1.00 0.00 C ATOM 0 H MET A 88 -2.811 -0.050 -5.478 1.00 0.00 H new ATOM 0 HA MET A 88 -1.904 1.957 -3.527 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.948 3.328 -5.216 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.299 1.725 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.847 2.292 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.342 1.513 -7.171 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.815 4.124 -9.415 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.056 4.240 -9.660 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.816 2.652 -9.401 1.00 0.00 H new ATOM 1370 N PHE A 89 -3.760 3.549 -4.119 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.000 4.304 -4.222 1.00 0.00 C ATOM 1372 C PHE A 89 -4.707 5.805 -4.201 1.00 0.00 C ATOM 1373 O PHE A 89 -3.791 6.261 -3.512 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.975 3.908 -3.104 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.496 4.196 -1.707 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -4.266 3.739 -1.257 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -6.296 4.918 -0.836 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -3.845 4.000 0.034 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -5.881 5.182 0.454 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.653 4.723 0.890 1.00 0.00 C ATOM 0 H PHE A 89 -3.052 3.987 -3.530 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.478 4.065 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.918 4.431 -3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.185 2.842 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.630 3.173 -1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.257 5.279 -1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.885 3.639 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.515 5.746 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.325 4.929 1.898 1.00 0.00 H new ATOM 1390 N SER A 90 -5.470 6.564 -4.985 1.00 0.00 N ATOM 1391 CA SER A 90 -5.276 8.009 -5.080 1.00 0.00 C ATOM 1392 C SER A 90 -6.155 8.761 -4.088 1.00 0.00 C ATOM 1393 O SER A 90 -7.218 8.285 -3.697 1.00 0.00 O ATOM 1394 CB SER A 90 -5.572 8.489 -6.502 1.00 0.00 C ATOM 1395 OG SER A 90 -4.883 9.694 -6.787 1.00 0.00 O ATOM 0 H SER A 90 -6.228 6.202 -5.564 1.00 0.00 H new ATOM 0 HA SER A 90 -4.235 8.219 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.278 7.721 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.644 8.643 -6.622 1.00 0.00 H new ATOM 0 HG SER A 90 -4.392 9.986 -5.991 1.00 0.00 H new ATOM 1401 N PHE A 91 -5.696 9.943 -3.685 1.00 0.00 N ATOM 1402 CA PHE A 91 -6.430 10.770 -2.736 1.00 0.00 C ATOM 1403 C PHE A 91 -6.961 12.031 -3.410 1.00 0.00 C ATOM 1404 O PHE A 91 -6.617 12.326 -4.554 1.00 0.00 O ATOM 1405 CB PHE A 91 -5.529 11.147 -1.558 1.00 0.00 C ATOM 1406 CG PHE A 91 -5.273 10.011 -0.610 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -4.847 8.780 -1.081 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -5.461 10.172 0.752 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -4.615 7.733 -0.213 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.231 9.126 1.625 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.808 7.906 1.142 1.00 0.00 C ATOM 0 H PHE A 91 -4.816 10.349 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.279 10.194 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.576 11.511 -1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.987 11.970 -1.010 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.695 8.638 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.791 11.126 1.136 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.283 6.779 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.383 9.264 2.685 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.628 7.087 1.823 1.00 0.00 H new ATOM 1421 N ASN A 92 -7.803 12.770 -2.695 1.00 0.00 N ATOM 1422 CA ASN A 92 -8.382 13.998 -3.227 1.00 0.00 C ATOM 1423 C ASN A 92 -8.135 15.175 -2.287 1.00 0.00 C ATOM 1424 O ASN A 92 -8.932 16.111 -2.228 1.00 0.00 O ATOM 1425 CB ASN A 92 -9.884 13.820 -3.455 1.00 0.00 C ATOM 1426 CG ASN A 92 -10.187 12.951 -4.661 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -10.156 13.416 -5.800 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -10.483 11.679 -4.415 1.00 0.00 N ATOM 0 H ASN A 92 -8.099 12.540 -1.746 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.897 14.213 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.333 13.374 -2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.347 14.798 -3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.696 11.047 -5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -10.497 11.335 -3.455 1.00 0.00 H new ATOM 1435 N ASN A 93 -7.025 15.123 -1.555 1.00 0.00 N ATOM 1436 CA ASN A 93 -6.676 16.189 -0.621 1.00 0.00 C ATOM 1437 C ASN A 93 -5.342 15.900 0.063 1.00 0.00 C ATOM 1438 O ASN A 93 -5.008 14.747 0.334 1.00 0.00 O ATOM 1439 CB ASN A 93 -7.778 16.360 0.428 1.00 0.00 C ATOM 1440 CG ASN A 93 -8.272 17.791 0.518 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -7.656 18.708 -0.026 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -9.389 17.989 1.208 1.00 0.00 N ATOM 0 H ASN A 93 -6.354 14.356 -1.591 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.578 17.116 -1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.614 15.704 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.401 16.046 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.769 18.931 1.304 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.867 17.199 1.642 1.00 0.00 H new ATOM 1449 N ARG A 94 -4.584 16.957 0.337 1.00 0.00 N ATOM 1450 CA ARG A 94 -3.285 16.822 0.987 1.00 0.00 C ATOM 1451 C ARG A 94 -3.434 16.314 2.419 1.00 0.00 C ATOM 1452 O ARG A 94 -2.771 15.358 2.820 1.00 0.00 O ATOM 1453 CB ARG A 94 -2.550 18.163 0.985 1.00 0.00 C ATOM 1454 CG ARG A 94 -1.961 18.533 -0.366 1.00 0.00 C ATOM 1455 CD ARG A 94 -1.393 19.943 -0.360 1.00 0.00 C ATOM 1456 NE ARG A 94 -2.387 20.936 -0.757 1.00 0.00 N ATOM 1457 CZ ARG A 94 -2.863 21.056 -1.995 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -2.437 20.248 -2.957 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -3.766 21.987 -2.270 1.00 0.00 N ATOM 0 H ARG A 94 -4.847 17.918 0.119 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.703 16.092 0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.240 18.946 1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.749 18.130 1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.175 17.824 -0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.731 18.453 -1.134 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.022 20.180 0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.540 19.993 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.738 21.576 -0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.742 19.531 -2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.805 20.344 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.096 22.611 -1.534 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.131 22.079 -3.218 1.00 0.00 H new ATOM 1473 N THR A 95 -4.304 16.962 3.187 1.00 0.00 N ATOM 1474 CA THR A 95 -4.533 16.576 4.575 1.00 0.00 C ATOM 1475 C THR A 95 -5.008 15.132 4.671 1.00 0.00 C ATOM 1476 O THR A 95 -4.646 14.412 5.601 1.00 0.00 O ATOM 1477 CB THR A 95 -5.556 17.508 5.226 1.00 0.00 C ATOM 1478 OG1 THR A 95 -5.360 18.845 4.799 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.500 17.496 6.738 1.00 0.00 C ATOM 0 H THR A 95 -4.862 17.756 2.872 1.00 0.00 H new ATOM 0 HA THR A 95 -3.586 16.661 5.107 1.00 0.00 H new ATOM 0 HB THR A 95 -6.530 17.132 4.912 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.025 19.425 5.225 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.251 18.178 7.135 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.697 16.488 7.101 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.511 17.813 7.068 1.00 0.00 H new ATOM 1487 N VAL A 96 -5.815 14.710 3.705 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.327 13.346 3.689 1.00 0.00 C ATOM 1489 C VAL A 96 -5.181 12.344 3.624 1.00 0.00 C ATOM 1490 O VAL A 96 -5.125 11.396 4.406 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.273 13.113 2.495 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -7.801 11.685 2.491 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.422 14.109 2.526 1.00 0.00 C ATOM 0 H VAL A 96 -6.128 15.290 2.926 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.888 13.200 4.612 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.707 13.266 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.466 11.545 1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.966 10.988 2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -8.349 11.497 3.414 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.081 13.931 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.984 13.988 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.026 15.123 2.472 1.00 0.00 H new ATOM 1503 N MET A 97 -4.268 12.564 2.685 1.00 0.00 N ATOM 1504 CA MET A 97 -3.122 11.683 2.517 1.00 0.00 C ATOM 1505 C MET A 97 -2.151 11.827 3.682 1.00 0.00 C ATOM 1506 O MET A 97 -1.625 10.838 4.188 1.00 0.00 O ATOM 1507 CB MET A 97 -2.404 11.983 1.200 1.00 0.00 C ATOM 1508 CG MET A 97 -2.025 13.444 1.026 1.00 0.00 C ATOM 1509 SD MET A 97 -0.994 13.726 -0.426 1.00 0.00 S ATOM 1510 CE MET A 97 0.308 12.525 -0.155 1.00 0.00 C ATOM 0 H MET A 97 -4.300 13.345 2.030 1.00 0.00 H new ATOM 0 HA MET A 97 -3.488 10.656 2.495 1.00 0.00 H new ATOM 0 HB2 MET A 97 -1.502 11.374 1.142 1.00 0.00 H new ATOM 0 HB3 MET A 97 -3.045 11.683 0.371 1.00 0.00 H new ATOM 0 HG2 MET A 97 -2.932 14.043 0.945 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.495 13.786 1.915 1.00 0.00 H new ATOM 0 HE1 MET A 97 1.272 12.971 -0.400 1.00 0.00 H new ATOM 0 HE2 MET A 97 0.307 12.217 0.890 1.00 0.00 H new ATOM 0 HE3 MET A 97 0.139 11.655 -0.790 1.00 0.00 H new ATOM 1520 N ASP A 98 -1.914 13.066 4.101 1.00 0.00 N ATOM 1521 CA ASP A 98 -0.999 13.336 5.204 1.00 0.00 C ATOM 1522 C ASP A 98 -1.549 12.812 6.523 1.00 0.00 C ATOM 1523 O ASP A 98 -0.799 12.289 7.346 1.00 0.00 O ATOM 1524 CB ASP A 98 -0.726 14.837 5.311 1.00 0.00 C ATOM 1525 CG ASP A 98 0.358 15.297 4.356 1.00 0.00 C ATOM 1526 OD1 ASP A 98 0.107 15.307 3.133 1.00 0.00 O ATOM 1527 OD2 ASP A 98 1.459 15.647 4.832 1.00 0.00 O ATOM 0 H ASP A 98 -2.342 13.898 3.694 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.065 12.815 4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.645 15.386 5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.433 15.078 6.333 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.854 12.955 6.729 1.00 0.00 N ATOM 1533 CA ASN A 99 -3.471 12.488 7.965 1.00 0.00 C ATOM 1534 C ASN A 99 -3.256 10.989 8.140 1.00 0.00 C ATOM 1535 O ASN A 99 -2.800 10.536 9.189 1.00 0.00 O ATOM 1536 CB ASN A 99 -4.967 12.805 7.963 1.00 0.00 C ATOM 1537 CG ASN A 99 -5.251 14.258 8.289 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -4.381 14.978 8.777 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -6.476 14.696 8.020 1.00 0.00 N ATOM 0 H ASN A 99 -3.498 13.385 6.065 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.000 13.006 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.385 12.567 6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.472 12.167 8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -6.726 15.665 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.166 14.064 7.615 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.570 10.222 7.102 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.382 8.782 7.143 1.00 0.00 C ATOM 1548 C ILE A 100 -1.913 8.408 6.962 1.00 0.00 C ATOM 1549 O ILE A 100 -1.426 7.468 7.585 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.233 8.050 6.091 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.718 8.181 6.429 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.819 6.589 5.994 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -6.616 7.407 5.493 1.00 0.00 C ATOM 0 H ILE A 100 -3.955 10.575 6.226 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.714 8.461 8.130 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.064 8.511 5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.883 7.834 7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.998 9.234 6.401 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.431 6.086 5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.770 6.527 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.959 6.106 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.656 7.544 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.479 7.770 4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.362 6.348 5.538 1.00 0.00 H new ATOM 1565 N LYS A 101 -1.212 9.136 6.089 1.00 0.00 N ATOM 1566 CA LYS A 101 0.196 8.850 5.825 1.00 0.00 C ATOM 1567 C LYS A 101 0.977 8.836 7.121 1.00 0.00 C ATOM 1568 O LYS A 101 1.697 7.884 7.419 1.00 0.00 O ATOM 1569 CB LYS A 101 0.791 9.878 4.857 1.00 0.00 C ATOM 1570 CG LYS A 101 2.292 9.730 4.650 1.00 0.00 C ATOM 1571 CD LYS A 101 3.037 11.003 5.019 1.00 0.00 C ATOM 1572 CE LYS A 101 3.628 10.917 6.416 1.00 0.00 C ATOM 1573 NZ LYS A 101 4.758 11.869 6.601 1.00 0.00 N ATOM 0 H LYS A 101 -1.593 9.920 5.559 1.00 0.00 H new ATOM 0 HA LYS A 101 0.264 7.867 5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.290 9.788 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.582 10.880 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 101 2.663 8.902 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.493 9.479 3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.833 11.182 4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.357 11.853 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.852 11.127 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.976 9.901 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.133 11.779 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.510 11.653 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.421 12.841 6.450 1.00 0.00 H new ATOM 1587 N MET A 102 0.803 9.883 7.901 1.00 0.00 N ATOM 1588 CA MET A 102 1.468 9.981 9.192 1.00 0.00 C ATOM 1589 C MET A 102 1.047 8.814 10.075 1.00 0.00 C ATOM 1590 O MET A 102 1.823 8.326 10.897 1.00 0.00 O ATOM 1591 CB MET A 102 1.127 11.301 9.882 1.00 0.00 C ATOM 1592 CG MET A 102 -0.360 11.593 9.939 1.00 0.00 C ATOM 1593 SD MET A 102 -1.098 11.138 11.520 1.00 0.00 S ATOM 1594 CE MET A 102 -0.745 12.600 12.492 1.00 0.00 C ATOM 0 H MET A 102 0.209 10.679 7.668 1.00 0.00 H new ATOM 0 HA MET A 102 2.545 9.947 9.029 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.524 11.283 10.897 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.628 12.115 9.358 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.525 12.655 9.758 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.864 11.051 9.138 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.141 12.471 13.500 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.333 12.752 12.542 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.212 13.468 12.027 1.00 0.00 H new ATOM 1604 N THR A 103 -0.193 8.369 9.888 1.00 0.00 N ATOM 1605 CA THR A 103 -0.733 7.261 10.645 1.00 0.00 C ATOM 1606 C THR A 103 -0.097 5.949 10.196 1.00 0.00 C ATOM 1607 O THR A 103 0.432 5.196 11.008 1.00 0.00 O ATOM 1608 CB THR A 103 -2.257 7.205 10.457 1.00 0.00 C ATOM 1609 OG1 THR A 103 -2.919 7.918 11.485 1.00 0.00 O ATOM 1610 CG2 THR A 103 -2.815 5.806 10.441 1.00 0.00 C ATOM 0 H THR A 103 -0.842 8.768 9.210 1.00 0.00 H new ATOM 0 HA THR A 103 -0.506 7.408 11.701 1.00 0.00 H new ATOM 0 HB THR A 103 -2.436 7.657 9.482 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.465 7.299 12.014 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.896 5.847 10.305 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.367 5.245 9.621 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.587 5.312 11.386 1.00 0.00 H new ATOM 1618 N LEU A 104 -0.158 5.687 8.895 1.00 0.00 N ATOM 1619 CA LEU A 104 0.399 4.465 8.333 1.00 0.00 C ATOM 1620 C LEU A 104 1.887 4.360 8.606 1.00 0.00 C ATOM 1621 O LEU A 104 2.402 3.281 8.891 1.00 0.00 O ATOM 1622 CB LEU A 104 0.120 4.394 6.830 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.143 3.618 6.447 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -1.873 4.302 5.296 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.790 2.183 6.085 1.00 0.00 C ATOM 0 H LEU A 104 -0.589 6.307 8.209 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.087 3.619 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.037 5.409 6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.976 3.933 6.337 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.813 3.604 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.767 3.732 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.159 5.311 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.216 4.353 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.697 1.642 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.100 2.180 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.319 1.697 6.940 1.00 0.00 H new ATOM 1637 N GLN A 105 2.569 5.484 8.525 1.00 0.00 N ATOM 1638 CA GLN A 105 3.996 5.523 8.771 1.00 0.00 C ATOM 1639 C GLN A 105 4.304 5.163 10.221 1.00 0.00 C ATOM 1640 O GLN A 105 5.358 4.602 10.520 1.00 0.00 O ATOM 1641 CB GLN A 105 4.522 6.911 8.449 1.00 0.00 C ATOM 1642 CG GLN A 105 5.583 6.926 7.361 1.00 0.00 C ATOM 1643 CD GLN A 105 6.955 6.544 7.880 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.811 7.403 8.097 1.00 0.00 O ATOM 1645 NE2 GLN A 105 7.172 5.250 8.083 1.00 0.00 N ATOM 0 H GLN A 105 2.156 6.386 8.290 1.00 0.00 H new ATOM 0 HA GLN A 105 4.488 4.790 8.131 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.689 7.543 8.140 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.938 7.352 9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.294 6.237 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.630 7.921 6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.434 4.573 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.076 4.933 8.432 1.00 0.00 H new ATOM 1654 N GLN A 106 3.373 5.481 11.118 1.00 0.00 N ATOM 1655 CA GLN A 106 3.550 5.181 12.529 1.00 0.00 C ATOM 1656 C GLN A 106 3.323 3.700 12.773 1.00 0.00 C ATOM 1657 O GLN A 106 4.148 3.025 13.388 1.00 0.00 O ATOM 1658 CB GLN A 106 2.588 6.011 13.381 1.00 0.00 C ATOM 1659 CG GLN A 106 3.134 7.379 13.757 1.00 0.00 C ATOM 1660 CD GLN A 106 2.044 8.345 14.179 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.531 8.166 15.391 1.00 0.00 O flip ATOM 1662 NE2 GLN A 106 1.668 9.243 13.425 1.00 0.00 N flip ATOM 0 H GLN A 106 2.493 5.944 10.890 1.00 0.00 H new ATOM 0 HA GLN A 106 4.570 5.438 12.816 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.652 6.139 12.837 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.354 5.460 14.292 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.852 7.269 14.570 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.676 7.796 12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.090 9.344 12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.935 9.886 13.724 1.00 0.00 H new ATOM 1671 N ILE A 107 2.209 3.196 12.259 1.00 0.00 N ATOM 1672 CA ILE A 107 1.879 1.788 12.390 1.00 0.00 C ATOM 1673 C ILE A 107 2.916 0.962 11.654 1.00 0.00 C ATOM 1674 O ILE A 107 3.482 0.015 12.199 1.00 0.00 O ATOM 1675 CB ILE A 107 0.483 1.474 11.825 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.502 2.578 12.207 1.00 0.00 C ATOM 1677 CG2 ILE A 107 0.000 0.124 12.333 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.911 2.314 11.741 1.00 0.00 C ATOM 0 H ILE A 107 1.519 3.745 11.747 1.00 0.00 H new ATOM 0 HA ILE A 107 1.875 1.539 13.451 1.00 0.00 H new ATOM 0 HB ILE A 107 0.546 1.429 10.738 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.502 2.695 13.291 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.159 3.522 11.784 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.989 -0.085 11.925 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.695 -0.654 12.017 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.053 0.143 13.422 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.556 3.138 12.047 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.925 2.226 10.655 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.273 1.386 12.184 1.00 0.00 H new ATOM 1690 N ILE A 108 3.186 1.361 10.416 1.00 0.00 N ATOM 1691 CA ILE A 108 4.186 0.696 9.600 1.00 0.00 C ATOM 1692 C ILE A 108 5.518 0.720 10.328 1.00 0.00 C ATOM 1693 O ILE A 108 6.286 -0.240 10.286 1.00 0.00 O ATOM 1694 CB ILE A 108 4.315 1.378 8.217 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.094 1.052 7.353 1.00 0.00 C ATOM 1696 CG2 ILE A 108 5.597 0.962 7.510 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.009 -0.403 6.948 1.00 0.00 C ATOM 0 H ILE A 108 2.722 2.145 9.957 1.00 0.00 H new ATOM 0 HA ILE A 108 3.879 -0.336 9.433 1.00 0.00 H new ATOM 0 HB ILE A 108 4.360 2.456 8.374 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.190 1.322 7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 108 3.120 1.669 6.455 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.656 1.459 6.542 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.456 1.247 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.598 -0.118 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.119 -0.560 6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.895 -0.673 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.951 -1.026 7.840 1.00 0.00 H new ATOM 1709 N SER A 109 5.761 1.818 11.024 1.00 0.00 N ATOM 1710 CA SER A 109 6.976 1.970 11.801 1.00 0.00 C ATOM 1711 C SER A 109 6.922 1.039 13.003 1.00 0.00 C ATOM 1712 O SER A 109 7.936 0.469 13.408 1.00 0.00 O ATOM 1713 CB SER A 109 7.147 3.420 12.260 1.00 0.00 C ATOM 1714 OG SER A 109 7.774 4.202 11.258 1.00 0.00 O ATOM 0 H SER A 109 5.130 2.618 11.066 1.00 0.00 H new ATOM 0 HA SER A 109 7.832 1.711 11.178 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.173 3.846 12.501 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.742 3.448 13.173 1.00 0.00 H new ATOM 0 HG SER A 109 7.105 4.765 10.816 1.00 0.00 H new ATOM 1720 N ARG A 110 5.722 0.876 13.560 1.00 0.00 N ATOM 1721 CA ARG A 110 5.533 -0.003 14.706 1.00 0.00 C ATOM 1722 C ARG A 110 5.819 -1.444 14.315 1.00 0.00 C ATOM 1723 O ARG A 110 6.562 -2.148 14.999 1.00 0.00 O ATOM 1724 CB ARG A 110 4.105 0.109 15.248 1.00 0.00 C ATOM 1725 CG ARG A 110 3.701 1.521 15.643 1.00 0.00 C ATOM 1726 CD ARG A 110 3.015 1.544 16.999 1.00 0.00 C ATOM 1727 NE ARG A 110 2.735 2.906 17.448 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.350 3.214 18.685 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.199 2.262 19.597 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.117 4.478 19.010 1.00 0.00 N ATOM 0 H ARG A 110 4.873 1.339 13.236 1.00 0.00 H new ATOM 0 HA ARG A 110 6.229 0.304 15.487 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.411 -0.258 14.492 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.005 -0.543 16.116 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.584 2.159 15.670 1.00 0.00 H new ATOM 0 HG3 ARG A 110 3.032 1.934 14.888 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.083 0.982 16.943 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.646 1.043 17.733 1.00 0.00 H new ATOM 0 HE ARG A 110 2.841 3.665 16.775 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.378 1.288 19.352 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.904 2.504 20.543 1.00 0.00 H new ATOM 0 HH21 ARG A 110 2.233 5.213 18.313 1.00 0.00 H new ATOM 0 HH22 ARG A 110 1.822 4.715 19.957 1.00 0.00 H new ATOM 1744 N TYR A 111 5.237 -1.878 13.201 1.00 0.00 N ATOM 1745 CA TYR A 111 5.450 -3.234 12.722 1.00 0.00 C ATOM 1746 C TYR A 111 6.844 -3.371 12.118 1.00 0.00 C ATOM 1747 O TYR A 111 7.314 -4.478 11.856 1.00 0.00 O ATOM 1748 CB TYR A 111 4.365 -3.619 11.714 1.00 0.00 C ATOM 1749 CG TYR A 111 3.025 -3.860 12.369 1.00 0.00 C ATOM 1750 CD1 TYR A 111 2.701 -5.109 12.884 1.00 0.00 C ATOM 1751 CD2 TYR A 111 2.092 -2.837 12.492 1.00 0.00 C ATOM 1752 CE1 TYR A 111 1.487 -5.332 13.503 1.00 0.00 C ATOM 1753 CE2 TYR A 111 0.873 -3.054 13.108 1.00 0.00 C ATOM 1754 CZ TYR A 111 0.578 -4.302 13.612 1.00 0.00 C ATOM 1755 OH TYR A 111 -0.629 -4.520 14.233 1.00 0.00 O ATOM 0 H TYR A 111 4.619 -1.313 12.619 1.00 0.00 H new ATOM 0 HA TYR A 111 5.382 -3.921 13.565 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.266 -2.827 10.972 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.672 -4.519 11.181 1.00 0.00 H new ATOM 0 HD1 TYR A 111 3.410 -5.919 12.799 1.00 0.00 H new ATOM 0 HD2 TYR A 111 2.323 -1.857 12.100 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.251 -6.308 13.900 1.00 0.00 H new ATOM 0 HE2 TYR A 111 0.157 -2.250 13.193 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.738 -3.882 14.969 1.00 0.00 H new ATOM 1765 N LYS A 112 7.513 -2.233 11.925 1.00 0.00 N ATOM 1766 CA LYS A 112 8.864 -2.220 11.384 1.00 0.00 C ATOM 1767 C LYS A 112 9.872 -2.467 12.501 1.00 0.00 C ATOM 1768 O LYS A 112 10.914 -3.086 12.286 1.00 0.00 O ATOM 1769 CB LYS A 112 9.160 -0.877 10.706 1.00 0.00 C ATOM 1770 CG LYS A 112 8.940 -0.876 9.200 1.00 0.00 C ATOM 1771 CD LYS A 112 9.641 -2.044 8.526 1.00 0.00 C ATOM 1772 CE LYS A 112 8.663 -3.158 8.193 1.00 0.00 C ATOM 1773 NZ LYS A 112 8.872 -3.690 6.818 1.00 0.00 N ATOM 0 H LYS A 112 7.136 -1.309 12.137 1.00 0.00 H new ATOM 0 HA LYS A 112 8.947 -3.012 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.529 -0.110 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.194 -0.599 10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.872 -0.922 8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.308 0.060 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.129 -1.701 7.614 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.423 -2.428 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.774 -3.966 8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.643 -2.785 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.016 -3.528 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.678 -3.204 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.067 -4.710 6.867 1.00 0.00 H new ATOM 1787 N ASP A 113 9.550 -1.976 13.698 1.00 0.00 N ATOM 1788 CA ASP A 113 10.427 -2.142 14.851 1.00 0.00 C ATOM 1789 C ASP A 113 10.389 -3.580 15.361 1.00 0.00 C ATOM 1790 O ASP A 113 11.403 -4.118 15.806 1.00 0.00 O ATOM 1791 CB ASP A 113 10.020 -1.182 15.970 1.00 0.00 C ATOM 1792 CG ASP A 113 10.703 0.167 15.851 1.00 0.00 C ATOM 1793 OD1 ASP A 113 10.415 0.894 14.877 1.00 0.00 O ATOM 1794 OD2 ASP A 113 11.526 0.495 16.731 1.00 0.00 O ATOM 0 H ASP A 113 8.690 -1.462 13.891 1.00 0.00 H new ATOM 0 HA ASP A 113 11.445 -1.913 14.537 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.939 -1.042 15.950 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.266 -1.627 16.934 1.00 0.00 H new ATOM 1799 N ALA A 114 9.213 -4.196 15.293 1.00 0.00 N ATOM 1800 CA ALA A 114 9.044 -5.570 15.747 1.00 0.00 C ATOM 1801 C ALA A 114 9.943 -6.522 14.966 1.00 0.00 C ATOM 1802 O ALA A 114 10.587 -7.398 15.543 1.00 0.00 O ATOM 1803 CB ALA A 114 7.588 -5.992 15.619 1.00 0.00 C ATOM 0 H ALA A 114 8.364 -3.765 14.928 1.00 0.00 H new ATOM 0 HA ALA A 114 9.335 -5.618 16.796 1.00 0.00 H new ATOM 0 HB1 ALA A 114 7.476 -7.021 15.962 1.00 0.00 H new ATOM 0 HB2 ALA A 114 6.964 -5.337 16.227 1.00 0.00 H new ATOM 0 HB3 ALA A 114 7.279 -5.921 14.576 1.00 0.00 H new ATOM 1809 N ASP A 115 9.983 -6.343 13.650 1.00 0.00 N ATOM 1810 CA ASP A 115 10.805 -7.187 12.789 1.00 0.00 C ATOM 1811 C ASP A 115 12.284 -7.035 13.130 1.00 0.00 C ATOM 1812 O ASP A 115 12.979 -8.069 13.217 1.00 0.00 O ATOM 1813 CB ASP A 115 10.569 -6.833 11.319 1.00 0.00 C ATOM 1814 CG ASP A 115 10.985 -7.951 10.383 1.00 0.00 C ATOM 1815 OD1 ASP A 115 12.190 -8.043 10.066 1.00 0.00 O ATOM 1816 OD2 ASP A 115 10.106 -8.734 9.966 1.00 0.00 O ATOM 1817 OXT ASP A 115 12.735 -5.884 13.306 1.00 0.00 O ATOM 0 H ASP A 115 9.457 -5.622 13.156 1.00 0.00 H new ATOM 0 HA ASP A 115 10.517 -8.225 12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.513 -6.609 11.167 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.126 -5.929 11.072 1.00 0.00 H new ATOM 2088 N PHE B 475 2.203 4.745 -11.877 1.00 0.00 N ATOM 2089 CA PHE B 475 1.996 5.097 -10.481 1.00 0.00 C ATOM 2090 C PHE B 475 3.130 4.574 -9.616 1.00 0.00 C ATOM 2091 O PHE B 475 3.461 5.174 -8.594 1.00 0.00 O ATOM 2092 CB PHE B 475 0.623 4.609 -9.973 1.00 0.00 C ATOM 2093 CG PHE B 475 0.525 3.150 -9.586 1.00 0.00 C ATOM 2094 CD1 PHE B 475 1.403 2.563 -8.684 1.00 0.00 C ATOM 2095 CD2 PHE B 475 -0.482 2.370 -10.122 1.00 0.00 C ATOM 2096 CE1 PHE B 475 1.275 1.232 -8.336 1.00 0.00 C ATOM 2097 CE2 PHE B 475 -0.614 1.039 -9.779 1.00 0.00 C ATOM 2098 CZ PHE B 475 0.265 0.470 -8.886 1.00 0.00 C ATOM 0 HA PHE B 475 1.997 6.185 -10.407 1.00 0.00 H new ATOM 0 HB2 PHE B 475 0.346 5.211 -9.107 1.00 0.00 H new ATOM 0 HB3 PHE B 475 -0.117 4.807 -10.748 1.00 0.00 H new ATOM 0 HD1 PHE B 475 2.195 3.154 -8.249 1.00 0.00 H new ATOM 0 HD2 PHE B 475 -1.178 2.809 -10.821 1.00 0.00 H new ATOM 0 HE1 PHE B 475 1.965 0.788 -7.634 1.00 0.00 H new ATOM 0 HE2 PHE B 475 -1.406 0.445 -10.211 1.00 0.00 H new ATOM 0 HZ PHE B 475 0.164 -0.571 -8.616 1.00 0.00 H new ATOM 2108 N GLU B 476 3.726 3.455 -10.020 1.00 0.00 N ATOM 2109 CA GLU B 476 4.817 2.876 -9.252 1.00 0.00 C ATOM 2110 C GLU B 476 6.063 3.743 -9.315 1.00 0.00 C ATOM 2111 O GLU B 476 6.872 3.743 -8.387 1.00 0.00 O ATOM 2112 CB GLU B 476 5.130 1.465 -9.716 1.00 0.00 C ATOM 2113 CG GLU B 476 3.916 0.556 -9.728 1.00 0.00 C ATOM 2114 CD GLU B 476 4.207 -0.802 -10.336 1.00 0.00 C ATOM 2115 OE1 GLU B 476 5.136 -1.482 -9.853 1.00 0.00 O ATOM 2116 OE2 GLU B 476 3.505 -1.185 -11.295 1.00 0.00 O ATOM 0 H GLU B 476 3.474 2.939 -10.863 1.00 0.00 H new ATOM 0 HA GLU B 476 4.489 2.829 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU B 476 5.555 1.505 -10.719 1.00 0.00 H new ATOM 0 HB3 GLU B 476 5.891 1.036 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU B 476 3.557 0.423 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU B 476 3.114 1.036 -10.288 1.00 0.00 H new ATOM 2123 N GLN B 477 6.209 4.504 -10.393 1.00 0.00 N ATOM 2124 CA GLN B 477 7.357 5.392 -10.524 1.00 0.00 C ATOM 2125 C GLN B 477 7.293 6.444 -9.437 1.00 0.00 C ATOM 2126 O GLN B 477 8.267 6.673 -8.719 1.00 0.00 O ATOM 2127 CB GLN B 477 7.395 6.043 -11.908 1.00 0.00 C ATOM 2128 CG GLN B 477 7.613 5.054 -13.041 1.00 0.00 C ATOM 2129 CD GLN B 477 9.041 5.056 -13.550 1.00 0.00 C ATOM 2130 OE1 GLN B 477 9.990 4.954 -12.772 1.00 0.00 O ATOM 2131 NE2 GLN B 477 9.201 5.173 -14.863 1.00 0.00 N ATOM 0 H GLN B 477 5.558 4.525 -11.178 1.00 0.00 H new ATOM 0 HA GLN B 477 8.273 4.811 -10.414 1.00 0.00 H new ATOM 0 HB2 GLN B 477 6.458 6.574 -12.076 1.00 0.00 H new ATOM 0 HB3 GLN B 477 8.191 6.787 -11.928 1.00 0.00 H new ATOM 0 HG2 GLN B 477 7.355 4.052 -12.698 1.00 0.00 H new ATOM 0 HG3 GLN B 477 6.938 5.294 -13.863 1.00 0.00 H new ATOM 0 HE21 GLN B 477 8.386 5.255 -15.471 1.00 0.00 H new ATOM 0 HE22 GLN B 477 10.139 5.181 -15.264 1.00 0.00 H new ATOM 2140 N MET B 478 6.121 7.040 -9.276 1.00 0.00 N ATOM 2141 CA MET B 478 5.921 8.014 -8.222 1.00 0.00 C ATOM 2142 C MET B 478 5.740 7.265 -6.904 1.00 0.00 C ATOM 2143 O MET B 478 5.730 7.860 -5.827 1.00 0.00 O ATOM 2144 CB MET B 478 4.697 8.885 -8.513 1.00 0.00 C ATOM 2145 CG MET B 478 4.678 9.457 -9.921 1.00 0.00 C ATOM 2146 SD MET B 478 5.226 11.173 -9.982 1.00 0.00 S ATOM 2147 CE MET B 478 3.751 12.020 -9.422 1.00 0.00 C ATOM 0 H MET B 478 5.302 6.866 -9.858 1.00 0.00 H new ATOM 0 HA MET B 478 6.787 8.673 -8.162 1.00 0.00 H new ATOM 0 HB2 MET B 478 3.795 8.293 -8.358 1.00 0.00 H new ATOM 0 HB3 MET B 478 4.667 9.705 -7.796 1.00 0.00 H new ATOM 0 HG2 MET B 478 5.318 8.852 -10.563 1.00 0.00 H new ATOM 0 HG3 MET B 478 3.667 9.388 -10.323 1.00 0.00 H new ATOM 0 HE1 MET B 478 3.479 12.791 -10.142 1.00 0.00 H new ATOM 0 HE2 MET B 478 2.934 11.305 -9.330 1.00 0.00 H new ATOM 0 HE3 MET B 478 3.942 12.480 -8.452 1.00 0.00 H new ATOM 2157 N PHE B 479 5.590 5.941 -7.018 1.00 0.00 N ATOM 2158 CA PHE B 479 5.399 5.077 -5.869 1.00 0.00 C ATOM 2159 C PHE B 479 6.602 4.179 -5.616 1.00 0.00 C ATOM 2160 O PHE B 479 6.465 3.107 -5.024 1.00 0.00 O ATOM 2161 CB PHE B 479 4.144 4.227 -6.052 1.00 0.00 C ATOM 2162 CG PHE B 479 2.877 4.996 -5.790 1.00 0.00 C ATOM 2163 CD1 PHE B 479 2.926 6.281 -5.269 1.00 0.00 C ATOM 2164 CD2 PHE B 479 1.641 4.438 -6.057 1.00 0.00 C ATOM 2165 CE1 PHE B 479 1.775 6.987 -5.019 1.00 0.00 C ATOM 2166 CE2 PHE B 479 0.481 5.145 -5.805 1.00 0.00 C ATOM 2167 CZ PHE B 479 0.550 6.419 -5.284 1.00 0.00 C ATOM 0 H PHE B 479 5.599 5.448 -7.911 1.00 0.00 H new ATOM 0 HA PHE B 479 5.282 5.721 -4.997 1.00 0.00 H new ATOM 0 HB2 PHE B 479 4.122 3.834 -7.068 1.00 0.00 H new ATOM 0 HB3 PHE B 479 4.189 3.370 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE B 479 3.884 6.733 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE B 479 1.581 3.440 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE B 479 1.831 7.987 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE B 479 -0.480 4.699 -6.016 1.00 0.00 H new ATOM 0 HZ PHE B 479 -0.356 6.971 -5.084 1.00 0.00 H new ATOM 2177 N THR B 480 7.782 4.617 -6.037 1.00 0.00 N ATOM 2178 CA THR B 480 8.983 3.838 -5.814 1.00 0.00 C ATOM 2179 C THR B 480 9.967 4.641 -4.973 1.00 0.00 C ATOM 2180 O THR B 480 10.627 5.557 -5.463 1.00 0.00 O ATOM 2181 CB THR B 480 9.623 3.440 -7.146 1.00 0.00 C ATOM 2182 OG1 THR B 480 10.754 2.614 -6.931 1.00 0.00 O ATOM 2183 CG2 THR B 480 10.070 4.624 -7.975 1.00 0.00 C ATOM 0 H THR B 480 7.928 5.498 -6.529 1.00 0.00 H new ATOM 0 HA THR B 480 8.717 2.926 -5.279 1.00 0.00 H new ATOM 0 HB THR B 480 8.844 2.910 -7.693 1.00 0.00 H new ATOM 0 HG1 THR B 480 11.149 2.369 -7.794 1.00 0.00 H new ATOM 0 HG21 THR B 480 10.514 4.270 -8.905 1.00 0.00 H new ATOM 0 HG22 THR B 480 9.211 5.255 -8.201 1.00 0.00 H new ATOM 0 HG23 THR B 480 10.808 5.201 -7.417 1.00 0.00 H new ATOM 2191 N ASP B 481 10.041 4.282 -3.690 1.00 0.00 N ATOM 2192 CA ASP B 481 10.919 4.951 -2.731 1.00 0.00 C ATOM 2193 C ASP B 481 10.951 6.461 -2.960 1.00 0.00 C ATOM 2194 O ASP B 481 11.925 7.000 -3.487 1.00 0.00 O ATOM 2195 CB ASP B 481 12.335 4.377 -2.815 1.00 0.00 C ATOM 2196 CG ASP B 481 13.167 4.712 -1.593 1.00 0.00 C ATOM 2197 OD1 ASP B 481 12.848 4.202 -0.499 1.00 0.00 O ATOM 2198 OD2 ASP B 481 14.139 5.485 -1.731 1.00 0.00 O ATOM 0 H ASP B 481 9.494 3.520 -3.288 1.00 0.00 H new ATOM 0 HA ASP B 481 10.518 4.770 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP B 481 12.279 3.294 -2.928 1.00 0.00 H new ATOM 0 HB3 ASP B 481 12.829 4.765 -3.706 1.00 0.00 H new ATOM 2203 N ALA B 482 9.879 7.137 -2.560 1.00 0.00 N ATOM 2204 CA ALA B 482 9.782 8.583 -2.721 1.00 0.00 C ATOM 2205 C ALA B 482 9.602 9.274 -1.373 1.00 0.00 C ATOM 2206 O ALA B 482 8.829 10.224 -1.249 1.00 0.00 O ATOM 2207 CB ALA B 482 8.632 8.933 -3.653 1.00 0.00 C ATOM 0 H ALA B 482 9.065 6.706 -2.122 1.00 0.00 H new ATOM 0 HA ALA B 482 10.714 8.939 -3.161 1.00 0.00 H new ATOM 0 HB1 ALA B 482 8.571 10.016 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA B 482 8.802 8.477 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA B 482 7.698 8.558 -3.235 1.00 0.00 H new