USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 953 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 102 ASN : amide:sc= 0.637 K(o=2.7,f=-7.1!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -121:sc= 1.12 (180deg=-0.464) USER MOD Set 1.3: A 112 SER OG : rot 180:sc= 0.934 USER MOD Set 2.1: A 86 HIS : no HD1:sc= 0.0659 X(o=0.18,f=-0.039) USER MOD Set 2.2: A 89 SER OG : rot 146:sc= 0.112 USER MOD Set 3.1: A 76 THR OG1 : rot 73:sc= 0.995 USER MOD Set 3.2: A 92 TYR OH : rot -174:sc= 0.499 USER MOD Set 4.1: A 10 HIS : no HD1:sc= 0.608 K(o=1.4,f=-3.6!) USER MOD Set 4.2: A 12 SER OG : rot 115:sc= 0.824 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0966 (180deg=-0.486) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0201 (180deg=-0.0314) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.119 F(o=-0.72,f=-0.12) USER MOD Single : A 6 HIS : no HE2:sc= 0.0625 K(o=0.063,f=-2) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-2.2!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 169:sc= -0.0577 (180deg=-0.246) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc=-0.00844 (180deg=-0.133) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= 0.349 (180deg=-0.539) USER MOD Single : A 24 GLN : amide:sc= -1.51! X(o=-1.5!,f=-1.6) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 171:sc= -0.36 (180deg=-0.512) USER MOD Single : A 37 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= 0.588 (180deg=0.0659) USER MOD Single : A 44 SER OG : rot 97:sc= 0.178 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.49) USER MOD Single : A 61 SER OG : rot -61:sc= 0.0819 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc=-0.00923 X(o=-0.0092,f=-0.097) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0216) USER MOD Single : A 81 ASN : amide:sc= -0.481 K(o=-0.48,f=-3.5!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -82:sc= 0.495 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.084) USER MOD Single : A 111 MET CE :methyl 145:sc= 0 (180deg=-1.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.964 6.448 1.344 1.00 54.12 N ATOM 2 CA MET A 1 23.941 6.796 0.335 1.00 62.35 C ATOM 3 C MET A 1 24.332 8.098 -0.386 1.00 72.02 C ATOM 4 O MET A 1 24.191 9.193 0.175 1.00 61.42 O ATOM 5 CB MET A 1 22.528 6.889 0.996 1.00 33.11 C ATOM 6 CG MET A 1 22.427 7.796 2.237 1.00 2.23 C ATOM 7 SD MET A 1 20.777 7.813 2.967 1.00 72.43 S ATOM 8 CE MET A 1 20.581 6.104 3.477 1.00 32.53 C ATOM 0 H1 MET A 1 24.666 5.596 1.860 1.00 54.12 H new ATOM 0 H2 MET A 1 25.872 6.266 0.870 1.00 54.12 H new ATOM 0 H3 MET A 1 25.075 7.237 2.013 1.00 54.12 H new ATOM 0 HA MET A 1 23.892 6.007 -0.415 1.00 62.35 H new ATOM 0 HB2 MET A 1 21.821 7.248 0.248 1.00 33.11 H new ATOM 0 HB3 MET A 1 22.212 5.884 1.277 1.00 33.11 H new ATOM 0 HG2 MET A 1 23.145 7.460 2.985 1.00 2.23 H new ATOM 0 HG3 MET A 1 22.706 8.813 1.961 1.00 2.23 H new ATOM 0 HE1 MET A 1 19.776 6.033 4.209 1.00 32.53 H new ATOM 0 HE2 MET A 1 20.338 5.491 2.609 1.00 32.53 H new ATOM 0 HE3 MET A 1 21.510 5.749 3.923 1.00 32.53 H new ATOM 20 N SER A 2 24.866 7.961 -1.617 1.00 14.21 N ATOM 21 CA SER A 2 25.254 9.097 -2.470 1.00 62.43 C ATOM 22 C SER A 2 25.601 8.590 -3.883 1.00 65.51 C ATOM 23 O SER A 2 26.298 7.576 -4.022 1.00 14.11 O ATOM 24 CB SER A 2 26.461 9.865 -1.850 1.00 33.04 C ATOM 25 OG SER A 2 26.724 11.070 -2.553 1.00 45.40 O ATOM 0 H SER A 2 25.040 7.053 -2.047 1.00 14.21 H new ATOM 0 HA SER A 2 24.415 9.790 -2.538 1.00 62.43 H new ATOM 0 HB2 SER A 2 26.253 10.090 -0.804 1.00 33.04 H new ATOM 0 HB3 SER A 2 27.347 9.230 -1.869 1.00 33.04 H new ATOM 0 HG SER A 2 27.484 11.530 -2.140 1.00 45.40 H new ATOM 31 N GLY A 3 25.093 9.293 -4.921 1.00 73.35 N ATOM 32 CA GLY A 3 25.391 8.958 -6.325 1.00 12.33 C ATOM 33 C GLY A 3 24.602 7.758 -6.847 1.00 12.03 C ATOM 34 O GLY A 3 25.014 7.115 -7.814 1.00 52.32 O ATOM 0 H GLY A 3 24.474 10.096 -4.808 1.00 73.35 H new ATOM 0 HA2 GLY A 3 25.175 9.824 -6.950 1.00 12.33 H new ATOM 0 HA3 GLY A 3 26.457 8.752 -6.423 1.00 12.33 H new ATOM 38 N SER A 4 23.457 7.473 -6.203 1.00 72.30 N ATOM 39 CA SER A 4 22.613 6.299 -6.510 1.00 50.41 C ATOM 40 C SER A 4 21.700 6.549 -7.735 1.00 74.24 C ATOM 41 O SER A 4 21.662 7.657 -8.272 1.00 42.52 O ATOM 42 CB SER A 4 21.784 5.944 -5.258 1.00 73.33 C ATOM 43 OG SER A 4 22.634 5.754 -4.138 1.00 52.53 O ATOM 0 H SER A 4 23.087 8.053 -5.450 1.00 72.30 H new ATOM 0 HA SER A 4 23.256 5.459 -6.774 1.00 50.41 H new ATOM 0 HB2 SER A 4 21.070 6.741 -5.049 1.00 73.33 H new ATOM 0 HB3 SER A 4 21.206 5.038 -5.442 1.00 73.33 H new ATOM 0 HG SER A 4 22.094 5.531 -3.351 1.00 52.53 H new ATOM 49 N HIS A 5 20.982 5.496 -8.174 1.00 30.42 N ATOM 50 CA HIS A 5 20.079 5.554 -9.345 1.00 3.31 C ATOM 51 C HIS A 5 18.754 6.301 -8.998 1.00 34.24 C ATOM 52 O HIS A 5 17.825 5.724 -8.415 1.00 22.03 O ATOM 53 CB HIS A 5 19.827 4.116 -9.907 1.00 12.14 C ATOM 54 CG HIS A 5 19.116 3.134 -8.997 1.00 23.14 C ATOM 55 ND1 HIS A 5 19.381 2.725 -7.729 1.00 71.24 N flip ATOM 56 CD2 HIS A 5 17.990 2.435 -9.383 1.00 21.15 C flip ATOM 57 CE1 HIS A 5 18.436 1.794 -7.398 1.00 13.15 C flip ATOM 58 NE2 HIS A 5 17.609 1.635 -8.405 1.00 72.53 N flip ATOM 0 H HIS A 5 21.011 4.579 -7.727 1.00 30.42 H new ATOM 0 HA HIS A 5 20.561 6.132 -10.133 1.00 3.31 H new ATOM 0 HB2 HIS A 5 19.246 4.208 -10.825 1.00 12.14 H new ATOM 0 HB3 HIS A 5 20.790 3.686 -10.181 1.00 12.14 H new ATOM 0 HD2 HIS A 5 17.496 2.528 -10.339 1.00 21.15 H new ATOM 0 HE1 HIS A 5 18.379 1.271 -6.455 1.00 13.15 H new ATOM 0 HE2 HIS A 5 16.809 1.002 -8.428 1.00 72.53 H new ATOM 67 N HIS A 6 18.697 7.608 -9.332 1.00 0.24 N ATOM 68 CA HIS A 6 17.531 8.480 -9.053 1.00 45.12 C ATOM 69 C HIS A 6 17.032 9.133 -10.361 1.00 5.44 C ATOM 70 O HIS A 6 17.655 10.048 -10.888 1.00 44.33 O ATOM 71 CB HIS A 6 17.880 9.540 -7.957 1.00 31.14 C ATOM 72 CG HIS A 6 19.089 10.398 -8.236 1.00 2.02 C ATOM 73 ND1 HIS A 6 20.364 10.027 -7.888 1.00 60.30 N ATOM 74 CD2 HIS A 6 19.217 11.604 -8.846 1.00 43.01 C ATOM 75 CE1 HIS A 6 21.215 10.957 -8.268 1.00 23.51 C ATOM 76 NE2 HIS A 6 20.544 11.921 -8.852 1.00 71.50 N ATOM 0 H HIS A 6 19.460 8.092 -9.805 1.00 0.24 H new ATOM 0 HA HIS A 6 16.717 7.873 -8.657 1.00 45.12 H new ATOM 0 HB2 HIS A 6 17.018 10.193 -7.822 1.00 31.14 H new ATOM 0 HB3 HIS A 6 18.037 9.020 -7.012 1.00 31.14 H new ATOM 0 HD1 HIS A 6 20.614 9.162 -7.408 1.00 60.30 H new ATOM 0 HD2 HIS A 6 18.415 12.203 -9.252 1.00 43.01 H new ATOM 0 HE1 HIS A 6 22.285 10.931 -8.123 1.00 23.51 H new ATOM 85 N HIS A 7 15.939 8.597 -10.926 1.00 4.34 N ATOM 86 CA HIS A 7 15.271 9.147 -12.138 1.00 30.11 C ATOM 87 C HIS A 7 13.754 9.160 -11.891 1.00 12.31 C ATOM 88 O HIS A 7 12.948 9.058 -12.820 1.00 75.23 O ATOM 89 CB HIS A 7 15.612 8.287 -13.396 1.00 15.31 C ATOM 90 CG HIS A 7 17.081 8.177 -13.712 1.00 44.30 C ATOM 91 ND1 HIS A 7 17.770 9.133 -14.427 1.00 72.43 N ATOM 92 CD2 HIS A 7 17.997 7.229 -13.388 1.00 73.04 C ATOM 93 CE1 HIS A 7 19.035 8.781 -14.525 1.00 71.32 C ATOM 94 NE2 HIS A 7 19.202 7.633 -13.903 1.00 33.52 N ATOM 0 H HIS A 7 15.482 7.762 -10.559 1.00 4.34 H new ATOM 0 HA HIS A 7 15.627 10.160 -12.326 1.00 30.11 H new ATOM 0 HB2 HIS A 7 15.211 7.284 -13.252 1.00 15.31 H new ATOM 0 HB3 HIS A 7 15.101 8.714 -14.259 1.00 15.31 H new ATOM 0 HD2 HIS A 7 17.811 6.324 -12.828 1.00 73.04 H new ATOM 0 HE1 HIS A 7 19.807 9.341 -15.031 1.00 71.32 H new ATOM 0 HE2 HIS A 7 20.083 7.127 -13.818 1.00 33.52 H new ATOM 103 N HIS A 8 13.391 9.351 -10.613 1.00 31.12 N ATOM 104 CA HIS A 8 12.045 9.074 -10.093 1.00 53.33 C ATOM 105 C HIS A 8 11.133 10.304 -10.155 1.00 54.22 C ATOM 106 O HIS A 8 11.596 11.433 -10.341 1.00 32.54 O ATOM 107 CB HIS A 8 12.135 8.606 -8.623 1.00 3.25 C ATOM 108 CG HIS A 8 13.169 7.552 -8.354 1.00 63.02 C ATOM 109 ND1 HIS A 8 14.156 7.702 -7.404 1.00 33.41 N ATOM 110 CD2 HIS A 8 13.354 6.325 -8.884 1.00 53.34 C ATOM 111 CE1 HIS A 8 14.885 6.614 -7.356 1.00 52.15 C ATOM 112 NE2 HIS A 8 14.425 5.771 -8.243 1.00 32.31 N ATOM 0 H HIS A 8 14.033 9.706 -9.904 1.00 31.12 H new ATOM 0 HA HIS A 8 11.616 8.295 -10.723 1.00 53.33 H new ATOM 0 HB2 HIS A 8 12.348 9.471 -7.995 1.00 3.25 H new ATOM 0 HB3 HIS A 8 11.161 8.223 -8.319 1.00 3.25 H new ATOM 0 HD2 HIS A 8 12.767 5.868 -9.667 1.00 53.34 H new ATOM 0 HE1 HIS A 8 15.723 6.443 -6.696 1.00 52.15 H new ATOM 0 HE2 HIS A 8 14.807 4.843 -8.428 1.00 32.31 H new ATOM 121 N HIS A 9 9.828 10.045 -9.952 1.00 10.01 N ATOM 122 CA HIS A 9 8.764 11.059 -9.861 1.00 25.30 C ATOM 123 C HIS A 9 7.682 10.563 -8.886 1.00 23.51 C ATOM 124 O HIS A 9 7.611 9.368 -8.578 1.00 52.34 O ATOM 125 CB HIS A 9 8.126 11.348 -11.248 1.00 15.21 C ATOM 126 CG HIS A 9 9.058 11.996 -12.241 1.00 44.51 C ATOM 127 ND1 HIS A 9 9.471 11.376 -13.401 1.00 0.33 N ATOM 128 CD2 HIS A 9 9.677 13.203 -12.225 1.00 5.42 C ATOM 129 CE1 HIS A 9 10.285 12.173 -14.056 1.00 3.03 C ATOM 130 NE2 HIS A 9 10.431 13.283 -13.366 1.00 54.01 N ATOM 0 H HIS A 9 9.475 9.094 -9.844 1.00 10.01 H new ATOM 0 HA HIS A 9 9.205 11.988 -9.500 1.00 25.30 H new ATOM 0 HB2 HIS A 9 7.761 10.411 -11.669 1.00 15.21 H new ATOM 0 HB3 HIS A 9 7.259 11.993 -11.108 1.00 15.21 H new ATOM 0 HD2 HIS A 9 9.592 13.958 -11.458 1.00 5.42 H new ATOM 0 HE1 HIS A 9 10.756 11.953 -15.003 1.00 3.03 H new ATOM 0 HE2 HIS A 9 11.012 14.076 -13.637 1.00 54.01 H new ATOM 139 N HIS A 10 6.840 11.494 -8.418 1.00 33.33 N ATOM 140 CA HIS A 10 5.716 11.199 -7.519 1.00 74.15 C ATOM 141 C HIS A 10 4.583 12.189 -7.823 1.00 15.21 C ATOM 142 O HIS A 10 4.689 13.386 -7.526 1.00 3.32 O ATOM 143 CB HIS A 10 6.157 11.247 -6.026 1.00 51.04 C ATOM 144 CG HIS A 10 6.812 12.537 -5.602 1.00 13.41 C ATOM 145 ND1 HIS A 10 6.134 13.551 -4.956 1.00 2.42 N ATOM 146 CD2 HIS A 10 8.088 12.978 -5.741 1.00 11.31 C ATOM 147 CE1 HIS A 10 6.958 14.550 -4.720 1.00 75.15 C ATOM 148 NE2 HIS A 10 8.149 14.226 -5.179 1.00 23.11 N ATOM 0 H HIS A 10 6.921 12.483 -8.655 1.00 33.33 H new ATOM 0 HA HIS A 10 5.357 10.184 -7.691 1.00 74.15 H new ATOM 0 HB2 HIS A 10 5.283 11.076 -5.398 1.00 51.04 H new ATOM 0 HB3 HIS A 10 6.849 10.426 -5.839 1.00 51.04 H new ATOM 0 HD2 HIS A 10 8.903 12.445 -6.208 1.00 11.31 H new ATOM 0 HE1 HIS A 10 6.701 15.479 -4.232 1.00 75.15 H new ATOM 0 HE2 HIS A 10 8.983 14.810 -5.125 1.00 23.11 H new ATOM 157 N SER A 11 3.532 11.688 -8.489 1.00 11.23 N ATOM 158 CA SER A 11 2.349 12.476 -8.854 1.00 2.22 C ATOM 159 C SER A 11 1.477 12.690 -7.601 1.00 54.01 C ATOM 160 O SER A 11 0.510 11.956 -7.350 1.00 73.13 O ATOM 161 CB SER A 11 1.576 11.768 -9.994 1.00 63.45 C ATOM 162 OG SER A 11 0.441 12.511 -10.411 1.00 60.22 O ATOM 0 H SER A 11 3.480 10.715 -8.791 1.00 11.23 H new ATOM 0 HA SER A 11 2.646 13.456 -9.227 1.00 2.22 H new ATOM 0 HB2 SER A 11 2.242 11.617 -10.844 1.00 63.45 H new ATOM 0 HB3 SER A 11 1.259 10.781 -9.658 1.00 63.45 H new ATOM 0 HG SER A 11 -0.017 12.031 -11.132 1.00 60.22 H new ATOM 168 N SER A 12 1.912 13.651 -6.776 1.00 71.45 N ATOM 169 CA SER A 12 1.237 14.061 -5.542 1.00 72.25 C ATOM 170 C SER A 12 0.291 15.251 -5.831 1.00 73.11 C ATOM 171 O SER A 12 -0.041 15.524 -6.999 1.00 53.20 O ATOM 172 CB SER A 12 2.314 14.404 -4.473 1.00 53.32 C ATOM 173 OG SER A 12 3.203 13.308 -4.284 1.00 1.15 O ATOM 0 H SER A 12 2.767 14.178 -6.955 1.00 71.45 H new ATOM 0 HA SER A 12 0.619 13.252 -5.152 1.00 72.25 H new ATOM 0 HB2 SER A 12 2.876 15.285 -4.785 1.00 53.32 H new ATOM 0 HB3 SER A 12 1.830 14.653 -3.529 1.00 53.32 H new ATOM 0 HG SER A 12 4.104 13.565 -4.571 1.00 1.15 H new ATOM 179 N GLY A 13 -0.160 15.933 -4.763 1.00 55.23 N ATOM 180 CA GLY A 13 -1.137 17.016 -4.879 1.00 42.52 C ATOM 181 C GLY A 13 -2.559 16.520 -4.672 1.00 22.23 C ATOM 182 O GLY A 13 -3.514 17.103 -5.195 1.00 21.52 O ATOM 0 H GLY A 13 0.142 15.747 -3.807 1.00 55.23 H new ATOM 0 HA2 GLY A 13 -0.911 17.789 -4.144 1.00 42.52 H new ATOM 0 HA3 GLY A 13 -1.053 17.477 -5.863 1.00 42.52 H new ATOM 186 N ILE A 14 -2.685 15.413 -3.924 1.00 0.10 N ATOM 187 CA ILE A 14 -3.986 14.848 -3.517 1.00 71.15 C ATOM 188 C ILE A 14 -4.322 15.502 -2.179 1.00 64.32 C ATOM 189 O ILE A 14 -3.690 15.189 -1.167 1.00 73.11 O ATOM 190 CB ILE A 14 -4.012 13.254 -3.372 1.00 10.34 C ATOM 191 CG1 ILE A 14 -3.663 12.527 -4.744 1.00 32.21 C ATOM 192 CG2 ILE A 14 -5.395 12.781 -2.785 1.00 15.35 C ATOM 193 CD1 ILE A 14 -2.218 12.641 -5.194 1.00 1.21 C ATOM 0 H ILE A 14 -1.885 14.880 -3.582 1.00 0.10 H new ATOM 0 HA ILE A 14 -4.716 15.057 -4.299 1.00 71.15 H new ATOM 0 HB ILE A 14 -3.232 12.964 -2.668 1.00 10.34 H new ATOM 0 HG12 ILE A 14 -3.914 11.470 -4.649 1.00 32.21 H new ATOM 0 HG13 ILE A 14 -4.302 12.937 -5.526 1.00 32.21 H new ATOM 0 HG21 ILE A 14 -5.398 11.695 -2.692 1.00 15.35 H new ATOM 0 HG22 ILE A 14 -5.546 13.230 -1.803 1.00 15.35 H new ATOM 0 HG23 ILE A 14 -6.199 13.090 -3.453 1.00 15.35 H new ATOM 0 HD11 ILE A 14 -2.088 12.112 -6.138 1.00 1.21 H new ATOM 0 HD12 ILE A 14 -1.961 13.692 -5.329 1.00 1.21 H new ATOM 0 HD13 ILE A 14 -1.566 12.202 -4.439 1.00 1.21 H new ATOM 205 N GLU A 15 -5.278 16.441 -2.210 1.00 73.52 N ATOM 206 CA GLU A 15 -5.734 17.198 -1.038 1.00 51.11 C ATOM 207 C GLU A 15 -6.279 16.239 0.053 1.00 2.20 C ATOM 208 O GLU A 15 -7.436 15.804 0.005 1.00 44.15 O ATOM 209 CB GLU A 15 -6.806 18.237 -1.483 1.00 63.55 C ATOM 210 CG GLU A 15 -7.291 19.191 -0.375 1.00 3.44 C ATOM 211 CD GLU A 15 -8.377 20.163 -0.858 1.00 41.12 C ATOM 212 OE1 GLU A 15 -9.579 19.812 -0.786 1.00 44.24 O ATOM 213 OE2 GLU A 15 -8.032 21.281 -1.309 1.00 73.14 O ATOM 0 H GLU A 15 -5.765 16.700 -3.068 1.00 73.52 H new ATOM 0 HA GLU A 15 -4.894 17.736 -0.599 1.00 51.11 H new ATOM 0 HB2 GLU A 15 -6.396 18.832 -2.299 1.00 63.55 H new ATOM 0 HB3 GLU A 15 -7.667 17.700 -1.881 1.00 63.55 H new ATOM 0 HG2 GLU A 15 -7.679 18.605 0.458 1.00 3.44 H new ATOM 0 HG3 GLU A 15 -6.443 19.761 0.004 1.00 3.44 H new ATOM 220 N GLY A 16 -5.390 15.873 0.993 1.00 13.41 N ATOM 221 CA GLY A 16 -5.675 14.864 2.013 1.00 60.54 C ATOM 222 C GLY A 16 -6.443 15.442 3.194 1.00 51.15 C ATOM 223 O GLY A 16 -5.864 15.685 4.254 1.00 43.44 O ATOM 0 H GLY A 16 -4.454 16.273 1.062 1.00 13.41 H new ATOM 0 HA2 GLY A 16 -6.252 14.053 1.568 1.00 60.54 H new ATOM 0 HA3 GLY A 16 -4.739 14.433 2.367 1.00 60.54 H new ATOM 227 N ARG A 17 -7.753 15.682 2.991 1.00 5.34 N ATOM 228 CA ARG A 17 -8.678 16.147 4.041 1.00 12.31 C ATOM 229 C ARG A 17 -10.022 15.412 3.900 1.00 55.55 C ATOM 230 O ARG A 17 -10.517 15.207 2.783 1.00 23.15 O ATOM 231 CB ARG A 17 -8.872 17.692 3.975 1.00 41.40 C ATOM 232 CG ARG A 17 -9.451 18.238 2.644 1.00 2.24 C ATOM 233 CD ARG A 17 -9.632 19.775 2.655 1.00 60.12 C ATOM 234 NE ARG A 17 -10.573 20.213 3.694 1.00 22.52 N ATOM 235 CZ ARG A 17 -10.790 21.487 4.083 1.00 34.10 C ATOM 236 NH1 ARG A 17 -10.138 22.507 3.525 1.00 51.23 N ATOM 237 NH2 ARG A 17 -11.668 21.731 5.046 1.00 10.24 N ATOM 0 H ARG A 17 -8.203 15.557 2.084 1.00 5.34 H new ATOM 0 HA ARG A 17 -8.250 15.918 5.017 1.00 12.31 H new ATOM 0 HB2 ARG A 17 -9.533 17.992 4.788 1.00 41.40 H new ATOM 0 HB3 ARG A 17 -7.909 18.169 4.154 1.00 41.40 H new ATOM 0 HG2 ARG A 17 -8.789 17.961 1.824 1.00 2.24 H new ATOM 0 HG3 ARG A 17 -10.414 17.765 2.450 1.00 2.24 H new ATOM 0 HD2 ARG A 17 -8.666 20.252 2.817 1.00 60.12 H new ATOM 0 HD3 ARG A 17 -9.990 20.104 1.680 1.00 60.12 H new ATOM 0 HE ARG A 17 -11.113 19.487 4.165 1.00 22.52 H new ATOM 0 HH11 ARG A 17 -9.457 22.334 2.786 1.00 51.23 H new ATOM 0 HH12 ARG A 17 -10.320 23.461 3.837 1.00 51.23 H new ATOM 0 HH21 ARG A 17 -12.171 20.960 5.485 1.00 10.24 H new ATOM 0 HH22 ARG A 17 -11.840 22.690 5.348 1.00 10.24 H new ATOM 251 N GLY A 18 -10.599 15.002 5.039 1.00 71.24 N ATOM 252 CA GLY A 18 -11.854 14.258 5.052 1.00 11.23 C ATOM 253 C GLY A 18 -13.061 15.176 5.102 1.00 24.54 C ATOM 254 O GLY A 18 -13.609 15.418 6.185 1.00 11.30 O ATOM 0 H GLY A 18 -10.209 15.178 5.965 1.00 71.24 H new ATOM 0 HA2 GLY A 18 -11.913 13.631 4.162 1.00 11.23 H new ATOM 0 HA3 GLY A 18 -11.871 13.591 5.914 1.00 11.23 H new ATOM 258 N ARG A 19 -13.463 15.692 3.927 1.00 3.22 N ATOM 259 CA ARG A 19 -14.606 16.628 3.785 1.00 3.10 C ATOM 260 C ARG A 19 -15.943 15.955 4.173 1.00 22.33 C ATOM 261 O ARG A 19 -16.813 16.586 4.784 1.00 50.15 O ATOM 262 CB ARG A 19 -14.663 17.177 2.333 1.00 34.41 C ATOM 263 CG ARG A 19 -15.788 18.205 2.054 1.00 23.15 C ATOM 264 CD ARG A 19 -15.878 18.590 0.566 1.00 31.44 C ATOM 265 NE ARG A 19 -16.181 17.424 -0.292 1.00 13.13 N ATOM 266 CZ ARG A 19 -15.379 16.922 -1.255 1.00 32.20 C ATOM 267 NH1 ARG A 19 -14.198 17.467 -1.514 1.00 42.54 N ATOM 268 NH2 ARG A 19 -15.766 15.858 -1.941 1.00 4.31 N ATOM 0 H ARG A 19 -13.006 15.474 3.042 1.00 3.22 H new ATOM 0 HA ARG A 19 -14.453 17.460 4.472 1.00 3.10 H new ATOM 0 HB2 ARG A 19 -13.705 17.641 2.100 1.00 34.41 H new ATOM 0 HB3 ARG A 19 -14.785 16.337 1.650 1.00 34.41 H new ATOM 0 HG2 ARG A 19 -16.743 17.791 2.377 1.00 23.15 H new ATOM 0 HG3 ARG A 19 -15.612 19.102 2.648 1.00 23.15 H new ATOM 0 HD2 ARG A 19 -16.651 19.348 0.434 1.00 31.44 H new ATOM 0 HD3 ARG A 19 -14.936 19.037 0.250 1.00 31.44 H new ATOM 0 HE ARG A 19 -17.076 16.958 -0.143 1.00 13.13 H new ATOM 0 HH11 ARG A 19 -13.883 18.278 -0.982 1.00 42.54 H new ATOM 0 HH12 ARG A 19 -13.605 17.075 -2.245 1.00 42.54 H new ATOM 0 HH21 ARG A 19 -16.666 15.422 -1.741 1.00 4.31 H new ATOM 0 HH22 ARG A 19 -15.164 15.474 -2.670 1.00 4.31 H new ATOM 282 N MET A 20 -16.087 14.665 3.811 1.00 2.32 N ATOM 283 CA MET A 20 -17.265 13.848 4.189 1.00 4.21 C ATOM 284 C MET A 20 -17.134 13.337 5.637 1.00 11.13 C ATOM 285 O MET A 20 -18.129 12.919 6.234 1.00 42.11 O ATOM 286 CB MET A 20 -17.474 12.646 3.220 1.00 21.41 C ATOM 287 CG MET A 20 -16.364 11.586 3.232 1.00 64.43 C ATOM 288 SD MET A 20 -16.750 10.119 2.256 1.00 21.34 S ATOM 289 CE MET A 20 -17.052 10.808 0.628 1.00 20.11 C ATOM 0 H MET A 20 -15.398 14.160 3.253 1.00 2.32 H new ATOM 0 HA MET A 20 -18.139 14.495 4.116 1.00 4.21 H new ATOM 0 HB2 MET A 20 -18.418 12.161 3.469 1.00 21.41 H new ATOM 0 HB3 MET A 20 -17.572 13.033 2.206 1.00 21.41 H new ATOM 0 HG2 MET A 20 -15.444 12.032 2.853 1.00 64.43 H new ATOM 0 HG3 MET A 20 -16.172 11.286 4.262 1.00 64.43 H new ATOM 0 HE1 MET A 20 -17.107 10.002 -0.104 1.00 20.11 H new ATOM 0 HE2 MET A 20 -17.993 11.357 0.634 1.00 20.11 H new ATOM 0 HE3 MET A 20 -16.239 11.484 0.363 1.00 20.11 H new ATOM 299 N LYS A 21 -15.873 13.300 6.146 1.00 42.43 N ATOM 300 CA LYS A 21 -15.518 12.961 7.553 1.00 30.31 C ATOM 301 C LYS A 21 -15.662 11.444 7.876 1.00 11.31 C ATOM 302 O LYS A 21 -15.130 10.967 8.884 1.00 30.13 O ATOM 303 CB LYS A 21 -16.319 13.853 8.551 1.00 72.52 C ATOM 304 CG LYS A 21 -15.852 13.792 10.019 1.00 24.50 C ATOM 305 CD LYS A 21 -16.651 14.751 10.934 1.00 13.14 C ATOM 306 CE LYS A 21 -16.217 14.659 12.404 1.00 42.14 C ATOM 307 NZ LYS A 21 -14.767 14.935 12.573 1.00 12.32 N ATOM 0 H LYS A 21 -15.054 13.510 5.575 1.00 42.43 H new ATOM 0 HA LYS A 21 -14.457 13.180 7.675 1.00 30.31 H new ATOM 0 HB2 LYS A 21 -16.262 14.888 8.213 1.00 72.52 H new ATOM 0 HB3 LYS A 21 -17.369 13.562 8.510 1.00 72.52 H new ATOM 0 HG2 LYS A 21 -15.956 12.772 10.388 1.00 24.50 H new ATOM 0 HG3 LYS A 21 -14.793 14.043 10.071 1.00 24.50 H new ATOM 0 HD2 LYS A 21 -16.521 15.775 10.584 1.00 13.14 H new ATOM 0 HD3 LYS A 21 -17.714 14.520 10.857 1.00 13.14 H new ATOM 0 HE2 LYS A 21 -16.793 15.369 12.997 1.00 42.14 H new ATOM 0 HE3 LYS A 21 -16.444 13.664 12.788 1.00 42.14 H new ATOM 0 HZ1 LYS A 21 -14.544 15.014 13.586 1.00 12.32 H new ATOM 0 HZ2 LYS A 21 -14.215 14.158 12.156 1.00 12.32 H new ATOM 0 HZ3 LYS A 21 -14.525 15.827 12.095 1.00 12.32 H new ATOM 321 N LYS A 22 -16.364 10.695 7.007 1.00 23.10 N ATOM 322 CA LYS A 22 -16.498 9.223 7.116 1.00 13.03 C ATOM 323 C LYS A 22 -15.133 8.552 6.913 1.00 24.22 C ATOM 324 O LYS A 22 -14.820 7.532 7.530 1.00 33.15 O ATOM 325 CB LYS A 22 -17.517 8.710 6.067 1.00 63.33 C ATOM 326 CG LYS A 22 -18.917 9.351 6.188 1.00 14.42 C ATOM 327 CD LYS A 22 -19.906 8.835 5.123 1.00 42.41 C ATOM 328 CE LYS A 22 -21.306 9.457 5.275 1.00 42.14 C ATOM 329 NZ LYS A 22 -22.241 8.968 4.228 1.00 23.31 N ATOM 0 H LYS A 22 -16.857 11.090 6.206 1.00 23.10 H new ATOM 0 HA LYS A 22 -16.862 8.969 8.112 1.00 13.03 H new ATOM 0 HB2 LYS A 22 -17.125 8.904 5.069 1.00 63.33 H new ATOM 0 HB3 LYS A 22 -17.613 7.629 6.167 1.00 63.33 H new ATOM 0 HG2 LYS A 22 -19.320 9.147 7.180 1.00 14.42 H new ATOM 0 HG3 LYS A 22 -18.825 10.433 6.097 1.00 14.42 H new ATOM 0 HD2 LYS A 22 -19.517 9.060 4.130 1.00 42.41 H new ATOM 0 HD3 LYS A 22 -19.983 7.750 5.197 1.00 42.41 H new ATOM 0 HE2 LYS A 22 -21.706 9.218 6.260 1.00 42.14 H new ATOM 0 HE3 LYS A 22 -21.230 10.543 5.217 1.00 42.14 H new ATOM 0 HZ1 LYS A 22 -23.174 9.408 4.362 1.00 23.31 H new ATOM 0 HZ2 LYS A 22 -21.872 9.218 3.289 1.00 23.31 H new ATOM 0 HZ3 LYS A 22 -22.333 7.935 4.300 1.00 23.31 H new ATOM 343 N LYS A 23 -14.347 9.153 6.020 1.00 52.12 N ATOM 344 CA LYS A 23 -12.936 8.822 5.819 1.00 52.31 C ATOM 345 C LYS A 23 -12.112 9.424 6.971 1.00 13.51 C ATOM 346 O LYS A 23 -12.295 10.597 7.323 1.00 5.22 O ATOM 347 CB LYS A 23 -12.475 9.367 4.430 1.00 41.14 C ATOM 348 CG LYS A 23 -12.759 10.871 4.209 1.00 71.22 C ATOM 349 CD LYS A 23 -12.677 11.343 2.736 1.00 74.31 C ATOM 350 CE LYS A 23 -11.294 11.180 2.087 1.00 52.03 C ATOM 351 NZ LYS A 23 -11.028 9.783 1.651 1.00 31.31 N ATOM 0 H LYS A 23 -14.678 9.896 5.405 1.00 52.12 H new ATOM 0 HA LYS A 23 -12.787 7.742 5.823 1.00 52.31 H new ATOM 0 HB2 LYS A 23 -11.405 9.192 4.321 1.00 41.14 H new ATOM 0 HB3 LYS A 23 -12.973 8.796 3.646 1.00 41.14 H new ATOM 0 HG2 LYS A 23 -13.754 11.098 4.593 1.00 71.22 H new ATOM 0 HG3 LYS A 23 -12.050 11.450 4.800 1.00 71.22 H new ATOM 0 HD2 LYS A 23 -13.407 10.786 2.149 1.00 74.31 H new ATOM 0 HD3 LYS A 23 -12.964 12.393 2.688 1.00 74.31 H new ATOM 0 HE2 LYS A 23 -11.220 11.846 1.227 1.00 52.03 H new ATOM 0 HE3 LYS A 23 -10.525 11.488 2.796 1.00 52.03 H new ATOM 0 HZ1 LYS A 23 -10.395 9.791 0.826 1.00 31.31 H new ATOM 0 HZ2 LYS A 23 -10.578 9.257 2.427 1.00 31.31 H new ATOM 0 HZ3 LYS A 23 -11.925 9.322 1.395 1.00 31.31 H new ATOM 365 N GLN A 24 -11.241 8.598 7.572 1.00 22.33 N ATOM 366 CA GLN A 24 -10.334 9.021 8.651 1.00 33.11 C ATOM 367 C GLN A 24 -9.304 10.022 8.114 1.00 12.10 C ATOM 368 O GLN A 24 -8.696 9.783 7.067 1.00 32.32 O ATOM 369 CB GLN A 24 -9.648 7.780 9.273 1.00 2.30 C ATOM 370 CG GLN A 24 -10.607 6.853 10.045 1.00 21.13 C ATOM 371 CD GLN A 24 -9.902 5.689 10.747 1.00 21.14 C ATOM 372 OE1 GLN A 24 -8.745 5.789 11.161 1.00 43.20 O ATOM 373 NE2 GLN A 24 -10.602 4.585 10.908 1.00 72.40 N ATOM 0 H GLN A 24 -11.146 7.614 7.322 1.00 22.33 H new ATOM 0 HA GLN A 24 -10.906 9.521 9.433 1.00 33.11 H new ATOM 0 HB2 GLN A 24 -9.167 7.208 8.480 1.00 2.30 H new ATOM 0 HB3 GLN A 24 -8.860 8.114 9.948 1.00 2.30 H new ATOM 0 HG2 GLN A 24 -11.148 7.440 10.787 1.00 21.13 H new ATOM 0 HG3 GLN A 24 -11.348 6.454 9.353 1.00 21.13 H new ATOM 0 HE21 GLN A 24 -11.557 4.531 10.555 1.00 72.40 H new ATOM 0 HE22 GLN A 24 -10.189 3.784 11.386 1.00 72.40 H new ATOM 382 N ILE A 25 -9.117 11.141 8.836 1.00 31.34 N ATOM 383 CA ILE A 25 -8.276 12.250 8.375 1.00 64.00 C ATOM 384 C ILE A 25 -6.795 11.866 8.602 1.00 22.32 C ATOM 385 O ILE A 25 -6.041 11.749 7.638 1.00 52.12 O ATOM 386 CB ILE A 25 -8.642 13.638 9.087 1.00 13.44 C ATOM 387 CG1 ILE A 25 -9.992 14.305 8.571 1.00 63.41 C ATOM 388 CG2 ILE A 25 -7.475 14.664 8.958 1.00 44.42 C ATOM 389 CD1 ILE A 25 -11.257 13.455 8.578 1.00 74.34 C ATOM 0 H ILE A 25 -9.543 11.298 9.749 1.00 31.34 H new ATOM 0 HA ILE A 25 -8.458 12.412 7.313 1.00 64.00 H new ATOM 0 HB ILE A 25 -8.800 13.379 10.134 1.00 13.44 H new ATOM 0 HG12 ILE A 25 -10.181 15.190 9.178 1.00 63.41 H new ATOM 0 HG13 ILE A 25 -9.826 14.649 7.550 1.00 63.41 H new ATOM 0 HG21 ILE A 25 -7.753 15.596 9.451 1.00 44.42 H new ATOM 0 HG22 ILE A 25 -6.580 14.258 9.429 1.00 44.42 H new ATOM 0 HG23 ILE A 25 -7.275 14.857 7.904 1.00 44.42 H new ATOM 0 HD11 ILE A 25 -12.093 14.044 8.200 1.00 74.34 H new ATOM 0 HD12 ILE A 25 -11.112 12.581 7.943 1.00 74.34 H new ATOM 0 HD13 ILE A 25 -11.472 13.131 9.596 1.00 74.34 H new ATOM 401 N GLU A 26 -6.422 11.610 9.872 1.00 20.40 N ATOM 402 CA GLU A 26 -5.028 11.303 10.270 1.00 74.12 C ATOM 403 C GLU A 26 -4.492 10.035 9.568 1.00 2.22 C ATOM 404 O GLU A 26 -3.392 10.041 8.975 1.00 12.52 O ATOM 405 CB GLU A 26 -4.942 11.118 11.808 1.00 53.11 C ATOM 406 CG GLU A 26 -3.515 10.889 12.341 1.00 63.42 C ATOM 407 CD GLU A 26 -3.463 10.707 13.863 1.00 51.52 C ATOM 408 OE1 GLU A 26 -3.766 11.678 14.587 1.00 11.14 O ATOM 409 OE2 GLU A 26 -3.125 9.597 14.338 1.00 72.23 O ATOM 0 H GLU A 26 -7.077 11.610 10.653 1.00 20.40 H new ATOM 0 HA GLU A 26 -4.409 12.145 9.961 1.00 74.12 H new ATOM 0 HB2 GLU A 26 -5.361 12.000 12.292 1.00 53.11 H new ATOM 0 HB3 GLU A 26 -5.565 10.271 12.096 1.00 53.11 H new ATOM 0 HG2 GLU A 26 -3.092 10.007 11.861 1.00 63.42 H new ATOM 0 HG3 GLU A 26 -2.889 11.736 12.061 1.00 63.42 H new ATOM 416 N PHE A 27 -5.309 8.967 9.628 1.00 12.44 N ATOM 417 CA PHE A 27 -4.955 7.642 9.091 1.00 14.12 C ATOM 418 C PHE A 27 -4.665 7.729 7.586 1.00 24.41 C ATOM 419 O PHE A 27 -3.655 7.186 7.106 1.00 12.41 O ATOM 420 CB PHE A 27 -6.098 6.617 9.352 1.00 42.43 C ATOM 421 CG PHE A 27 -5.724 5.156 9.079 1.00 5.24 C ATOM 422 CD1 PHE A 27 -5.301 4.333 10.116 1.00 62.23 C ATOM 423 CD2 PHE A 27 -5.789 4.604 7.792 1.00 63.03 C ATOM 424 CE1 PHE A 27 -4.958 3.013 9.883 1.00 14.42 C ATOM 425 CE2 PHE A 27 -5.439 3.284 7.570 1.00 72.42 C ATOM 426 CZ PHE A 27 -5.025 2.491 8.612 1.00 71.35 C ATOM 0 H PHE A 27 -6.236 9.000 10.052 1.00 12.44 H new ATOM 0 HA PHE A 27 -4.056 7.301 9.604 1.00 14.12 H new ATOM 0 HB2 PHE A 27 -6.419 6.708 10.390 1.00 42.43 H new ATOM 0 HB3 PHE A 27 -6.953 6.881 8.730 1.00 42.43 H new ATOM 0 HD1 PHE A 27 -5.239 4.730 11.119 1.00 62.23 H new ATOM 0 HD2 PHE A 27 -6.116 5.216 6.964 1.00 63.03 H new ATOM 0 HE1 PHE A 27 -4.636 2.389 10.704 1.00 14.42 H new ATOM 0 HE2 PHE A 27 -5.492 2.875 6.572 1.00 72.42 H new ATOM 0 HZ PHE A 27 -4.753 1.461 8.434 1.00 71.35 H new ATOM 436 N GLU A 28 -5.551 8.443 6.849 1.00 15.00 N ATOM 437 CA GLU A 28 -5.440 8.543 5.394 1.00 42.24 C ATOM 438 C GLU A 28 -4.321 9.520 5.008 1.00 53.45 C ATOM 439 O GLU A 28 -3.676 9.325 3.995 1.00 20.03 O ATOM 440 CB GLU A 28 -6.770 8.934 4.713 1.00 41.01 C ATOM 441 CG GLU A 28 -6.762 8.650 3.196 1.00 32.12 C ATOM 442 CD GLU A 28 -8.119 8.831 2.517 1.00 53.33 C ATOM 443 OE1 GLU A 28 -9.099 8.166 2.929 1.00 11.22 O ATOM 444 OE2 GLU A 28 -8.214 9.627 1.555 1.00 61.41 O ATOM 0 H GLU A 28 -6.341 8.951 7.246 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.188 7.548 5.028 1.00 42.24 H new ATOM 0 HB2 GLU A 28 -7.588 8.384 5.178 1.00 41.01 H new ATOM 0 HB3 GLU A 28 -6.962 9.994 4.880 1.00 41.01 H new ATOM 0 HG2 GLU A 28 -6.038 9.310 2.718 1.00 32.12 H new ATOM 0 HG3 GLU A 28 -6.419 7.629 3.031 1.00 32.12 H new ATOM 451 N ASN A 29 -4.087 10.554 5.852 1.00 64.31 N ATOM 452 CA ASN A 29 -2.919 11.465 5.712 1.00 2.20 C ATOM 453 C ASN A 29 -1.616 10.645 5.672 1.00 34.30 C ATOM 454 O ASN A 29 -0.758 10.861 4.811 1.00 54.31 O ATOM 455 CB ASN A 29 -2.835 12.495 6.887 1.00 41.15 C ATOM 456 CG ASN A 29 -3.752 13.710 6.751 1.00 73.31 C ATOM 457 OD1 ASN A 29 -4.764 13.687 6.055 1.00 21.32 O ATOM 458 ND2 ASN A 29 -3.407 14.780 7.451 1.00 63.44 N ATOM 0 H ASN A 29 -4.693 10.781 6.641 1.00 64.31 H new ATOM 0 HA ASN A 29 -3.049 12.018 4.782 1.00 2.20 H new ATOM 0 HB2 ASN A 29 -3.074 11.981 7.818 1.00 41.15 H new ATOM 0 HB3 ASN A 29 -1.806 12.844 6.971 1.00 41.15 H new ATOM 0 HD21 ASN A 29 -3.988 15.618 7.422 1.00 63.44 H new ATOM 0 HD22 ASN A 29 -2.560 14.766 8.019 1.00 63.44 H new ATOM 465 N GLU A 30 -1.537 9.648 6.578 1.00 12.12 N ATOM 466 CA GLU A 30 -0.323 8.835 6.782 1.00 63.33 C ATOM 467 C GLU A 30 -0.146 7.800 5.651 1.00 33.45 C ATOM 468 O GLU A 30 0.962 7.645 5.132 1.00 54.52 O ATOM 469 CB GLU A 30 -0.346 8.153 8.178 1.00 2.20 C ATOM 470 CG GLU A 30 -0.088 9.106 9.368 1.00 61.44 C ATOM 471 CD GLU A 30 -0.164 8.383 10.717 1.00 65.23 C ATOM 472 OE1 GLU A 30 0.827 7.722 11.103 1.00 42.31 O ATOM 473 OE2 GLU A 30 -1.216 8.453 11.386 1.00 4.23 O ATOM 0 H GLU A 30 -2.312 9.386 7.187 1.00 12.12 H new ATOM 0 HA GLU A 30 0.539 9.501 6.749 1.00 63.33 H new ATOM 0 HB2 GLU A 30 -1.315 7.674 8.317 1.00 2.20 H new ATOM 0 HB3 GLU A 30 0.405 7.363 8.194 1.00 2.20 H new ATOM 0 HG2 GLU A 30 0.895 9.564 9.258 1.00 61.44 H new ATOM 0 HG3 GLU A 30 -0.819 9.914 9.349 1.00 61.44 H new ATOM 480 N LEU A 31 -1.246 7.121 5.257 1.00 11.53 N ATOM 481 CA LEU A 31 -1.202 6.102 4.149 1.00 35.53 C ATOM 482 C LEU A 31 -1.000 6.798 2.793 1.00 32.41 C ATOM 483 O LEU A 31 -0.302 6.266 1.923 1.00 72.50 O ATOM 484 CB LEU A 31 -2.436 5.102 4.134 1.00 54.43 C ATOM 485 CG LEU A 31 -2.498 4.029 2.932 1.00 53.31 C ATOM 486 CD1 LEU A 31 -3.158 2.682 3.336 1.00 62.23 C ATOM 487 CD2 LEU A 31 -3.232 4.570 1.658 1.00 1.04 C ATOM 0 H LEU A 31 -2.169 7.247 5.673 1.00 11.53 H new ATOM 0 HA LEU A 31 -0.341 5.464 4.348 1.00 35.53 H new ATOM 0 HB2 LEU A 31 -2.439 4.555 5.077 1.00 54.43 H new ATOM 0 HB3 LEU A 31 -3.351 5.694 4.106 1.00 54.43 H new ATOM 0 HG LEU A 31 -1.449 3.853 2.696 1.00 53.31 H new ATOM 0 HD11 LEU A 31 -3.165 2.009 2.479 1.00 62.23 H new ATOM 0 HD12 LEU A 31 -2.591 2.228 4.149 1.00 62.23 H new ATOM 0 HD13 LEU A 31 -4.182 2.862 3.665 1.00 62.23 H new ATOM 0 HD21 LEU A 31 -3.239 3.799 0.887 1.00 1.04 H new ATOM 0 HD22 LEU A 31 -4.258 4.836 1.914 1.00 1.04 H new ATOM 0 HD23 LEU A 31 -2.711 5.452 1.285 1.00 1.04 H new ATOM 499 N ARG A 32 -1.566 8.010 2.633 1.00 51.21 N ATOM 500 CA ARG A 32 -1.435 8.785 1.380 1.00 13.12 C ATOM 501 C ARG A 32 0.007 9.302 1.247 1.00 12.14 C ATOM 502 O ARG A 32 0.582 9.256 0.154 1.00 0.04 O ATOM 503 CB ARG A 32 -2.456 9.983 1.291 1.00 52.45 C ATOM 504 CG ARG A 32 -3.868 9.645 0.756 1.00 45.42 C ATOM 505 CD ARG A 32 -3.832 9.004 -0.632 1.00 32.35 C ATOM 506 NE ARG A 32 -2.966 9.752 -1.562 1.00 33.23 N ATOM 507 CZ ARG A 32 -2.415 9.244 -2.674 1.00 33.11 C ATOM 508 NH1 ARG A 32 -2.648 7.990 -3.030 1.00 5.14 N ATOM 509 NH2 ARG A 32 -1.585 9.983 -3.396 1.00 65.34 N ATOM 0 H ARG A 32 -2.118 8.475 3.354 1.00 51.21 H new ATOM 0 HA ARG A 32 -1.671 8.114 0.554 1.00 13.12 H new ATOM 0 HB2 ARG A 32 -2.562 10.416 2.286 1.00 52.45 H new ATOM 0 HB3 ARG A 32 -2.024 10.753 0.652 1.00 52.45 H new ATOM 0 HG2 ARG A 32 -4.364 8.969 1.452 1.00 45.42 H new ATOM 0 HG3 ARG A 32 -4.465 10.556 0.716 1.00 45.42 H new ATOM 0 HD2 ARG A 32 -3.474 7.978 -0.549 1.00 32.35 H new ATOM 0 HD3 ARG A 32 -4.843 8.957 -1.036 1.00 32.35 H new ATOM 0 HE ARG A 32 -2.771 10.729 -1.343 1.00 33.23 H new ATOM 0 HH11 ARG A 32 -3.252 7.401 -2.456 1.00 5.14 H new ATOM 0 HH12 ARG A 32 -2.224 7.613 -3.878 1.00 5.14 H new ATOM 0 HH21 ARG A 32 -1.366 10.936 -3.105 1.00 65.34 H new ATOM 0 HH22 ARG A 32 -1.165 9.599 -4.242 1.00 65.34 H new ATOM 523 N SER A 33 0.587 9.757 2.381 1.00 44.51 N ATOM 524 CA SER A 33 1.943 10.321 2.424 1.00 51.35 C ATOM 525 C SER A 33 2.984 9.235 2.101 1.00 21.35 C ATOM 526 O SER A 33 3.882 9.459 1.290 1.00 20.41 O ATOM 527 CB SER A 33 2.208 10.953 3.816 1.00 50.42 C ATOM 528 OG SER A 33 3.520 11.491 3.922 1.00 45.21 O ATOM 0 H SER A 33 0.123 9.741 3.289 1.00 44.51 H new ATOM 0 HA SER A 33 2.030 11.103 1.670 1.00 51.35 H new ATOM 0 HB2 SER A 33 1.478 11.741 4.000 1.00 50.42 H new ATOM 0 HB3 SER A 33 2.063 10.198 4.589 1.00 50.42 H new ATOM 0 HG SER A 33 3.643 11.880 4.813 1.00 45.21 H new ATOM 534 N MET A 34 2.818 8.045 2.719 1.00 11.11 N ATOM 535 CA MET A 34 3.743 6.907 2.522 1.00 74.33 C ATOM 536 C MET A 34 3.542 6.254 1.139 1.00 44.31 C ATOM 537 O MET A 34 4.502 5.717 0.571 1.00 74.43 O ATOM 538 CB MET A 34 3.618 5.837 3.660 1.00 14.20 C ATOM 539 CG MET A 34 4.054 6.292 5.074 1.00 62.12 C ATOM 540 SD MET A 34 4.017 4.944 6.281 1.00 53.10 S ATOM 541 CE MET A 34 2.260 4.660 6.494 1.00 61.44 C ATOM 0 H MET A 34 2.050 7.847 3.360 1.00 11.11 H new ATOM 0 HA MET A 34 4.753 7.315 2.567 1.00 74.33 H new ATOM 0 HB2 MET A 34 2.580 5.509 3.710 1.00 14.20 H new ATOM 0 HB3 MET A 34 4.213 4.968 3.381 1.00 14.20 H new ATOM 0 HG2 MET A 34 5.062 6.703 5.025 1.00 62.12 H new ATOM 0 HG3 MET A 34 3.399 7.095 5.411 1.00 62.12 H new ATOM 0 HE1 MET A 34 2.106 3.757 7.084 1.00 61.44 H new ATOM 0 HE2 MET A 34 1.814 5.510 7.010 1.00 61.44 H new ATOM 0 HE3 MET A 34 1.790 4.540 5.518 1.00 61.44 H new ATOM 551 N LEU A 35 2.306 6.317 0.584 1.00 4.20 N ATOM 552 CA LEU A 35 2.033 5.775 -0.777 1.00 34.25 C ATOM 553 C LEU A 35 2.794 6.657 -1.794 1.00 5.40 C ATOM 554 O LEU A 35 3.497 6.141 -2.669 1.00 20.31 O ATOM 555 CB LEU A 35 0.480 5.689 -1.118 1.00 13.24 C ATOM 556 CG LEU A 35 0.015 4.732 -2.301 1.00 12.25 C ATOM 557 CD1 LEU A 35 -1.526 4.584 -2.344 1.00 22.44 C ATOM 558 CD2 LEU A 35 0.526 5.179 -3.680 1.00 22.45 C ATOM 0 H LEU A 35 1.495 6.729 1.045 1.00 4.20 H new ATOM 0 HA LEU A 35 2.384 4.744 -0.826 1.00 34.25 H new ATOM 0 HB2 LEU A 35 -0.041 5.375 -0.214 1.00 13.24 H new ATOM 0 HB3 LEU A 35 0.135 6.696 -1.352 1.00 13.24 H new ATOM 0 HG LEU A 35 0.465 3.764 -2.081 1.00 12.25 H new ATOM 0 HD11 LEU A 35 -1.805 3.923 -3.165 1.00 22.44 H new ATOM 0 HD12 LEU A 35 -1.877 4.162 -1.403 1.00 22.44 H new ATOM 0 HD13 LEU A 35 -1.981 5.563 -2.495 1.00 22.44 H new ATOM 0 HD21 LEU A 35 0.173 4.484 -4.442 1.00 22.45 H new ATOM 0 HD22 LEU A 35 0.152 6.179 -3.900 1.00 22.45 H new ATOM 0 HD23 LEU A 35 1.616 5.192 -3.677 1.00 22.45 H new ATOM 570 N ALA A 36 2.675 7.988 -1.612 1.00 70.33 N ATOM 571 CA ALA A 36 3.347 9.002 -2.449 1.00 44.23 C ATOM 572 C ALA A 36 4.872 8.846 -2.418 1.00 72.43 C ATOM 573 O ALA A 36 5.539 8.902 -3.468 1.00 14.33 O ATOM 574 CB ALA A 36 2.961 10.407 -1.975 1.00 60.14 C ATOM 0 H ALA A 36 2.103 8.393 -0.871 1.00 70.33 H new ATOM 0 HA ALA A 36 3.017 8.855 -3.477 1.00 44.23 H new ATOM 0 HB1 ALA A 36 3.460 11.151 -2.596 1.00 60.14 H new ATOM 0 HB2 ALA A 36 1.881 10.534 -2.054 1.00 60.14 H new ATOM 0 HB3 ALA A 36 3.267 10.538 -0.937 1.00 60.14 H new ATOM 580 N THR A 37 5.405 8.648 -1.188 1.00 3.23 N ATOM 581 CA THR A 37 6.839 8.416 -0.958 1.00 22.35 C ATOM 582 C THR A 37 7.319 7.197 -1.768 1.00 53.25 C ATOM 583 O THR A 37 8.317 7.249 -2.495 1.00 11.11 O ATOM 584 CB THR A 37 7.136 8.178 0.562 1.00 42.24 C ATOM 585 OG1 THR A 37 6.627 9.271 1.337 1.00 74.15 O ATOM 586 CG2 THR A 37 8.641 8.021 0.848 1.00 52.25 C ATOM 0 H THR A 37 4.848 8.646 -0.333 1.00 3.23 H new ATOM 0 HA THR A 37 7.376 9.307 -1.284 1.00 22.35 H new ATOM 0 HB THR A 37 6.641 7.248 0.841 1.00 42.24 H new ATOM 0 HG1 THR A 37 5.653 9.194 1.411 1.00 74.15 H new ATOM 0 HG21 THR A 37 8.794 7.858 1.915 1.00 52.25 H new ATOM 0 HG22 THR A 37 9.030 7.168 0.292 1.00 52.25 H new ATOM 0 HG23 THR A 37 9.166 8.925 0.540 1.00 52.25 H new ATOM 594 N ALA A 38 6.522 6.120 -1.671 1.00 51.50 N ATOM 595 CA ALA A 38 6.810 4.825 -2.302 1.00 34.43 C ATOM 596 C ALA A 38 6.710 4.881 -3.842 1.00 30.33 C ATOM 597 O ALA A 38 7.284 4.031 -4.525 1.00 4.22 O ATOM 598 CB ALA A 38 5.906 3.745 -1.703 1.00 74.11 C ATOM 0 H ALA A 38 5.648 6.126 -1.145 1.00 51.50 H new ATOM 0 HA ALA A 38 7.847 4.567 -2.087 1.00 34.43 H new ATOM 0 HB1 ALA A 38 6.123 2.786 -2.174 1.00 74.11 H new ATOM 0 HB2 ALA A 38 6.088 3.672 -0.631 1.00 74.11 H new ATOM 0 HB3 ALA A 38 4.862 4.007 -1.877 1.00 74.11 H new ATOM 604 N LEU A 39 6.001 5.893 -4.388 1.00 21.40 N ATOM 605 CA LEU A 39 5.926 6.101 -5.854 1.00 21.02 C ATOM 606 C LEU A 39 7.226 6.721 -6.414 1.00 54.51 C ATOM 607 O LEU A 39 7.535 6.526 -7.597 1.00 52.22 O ATOM 608 CB LEU A 39 4.697 6.963 -6.259 1.00 14.22 C ATOM 609 CG LEU A 39 3.264 6.405 -5.935 1.00 11.42 C ATOM 610 CD1 LEU A 39 2.183 7.474 -6.229 1.00 41.04 C ATOM 611 CD2 LEU A 39 2.945 5.054 -6.661 1.00 72.32 C ATOM 0 H LEU A 39 5.475 6.575 -3.842 1.00 21.40 H new ATOM 0 HA LEU A 39 5.803 5.113 -6.297 1.00 21.02 H new ATOM 0 HB2 LEU A 39 4.795 7.933 -5.772 1.00 14.22 H new ATOM 0 HB3 LEU A 39 4.752 7.138 -7.333 1.00 14.22 H new ATOM 0 HG LEU A 39 3.251 6.178 -4.869 1.00 11.42 H new ATOM 0 HD11 LEU A 39 1.198 7.068 -5.998 1.00 41.04 H new ATOM 0 HD12 LEU A 39 2.366 8.355 -5.614 1.00 41.04 H new ATOM 0 HD13 LEU A 39 2.223 7.752 -7.282 1.00 41.04 H new ATOM 0 HD21 LEU A 39 1.941 4.725 -6.393 1.00 72.32 H new ATOM 0 HD22 LEU A 39 3.004 5.198 -7.740 1.00 72.32 H new ATOM 0 HD23 LEU A 39 3.668 4.297 -6.356 1.00 72.32 H new ATOM 623 N GLU A 40 7.993 7.461 -5.585 1.00 4.52 N ATOM 624 CA GLU A 40 9.347 7.912 -5.985 1.00 50.13 C ATOM 625 C GLU A 40 10.408 6.911 -5.479 1.00 64.21 C ATOM 626 O GLU A 40 11.552 6.954 -5.914 1.00 62.15 O ATOM 627 CB GLU A 40 9.667 9.364 -5.521 1.00 75.40 C ATOM 628 CG GLU A 40 10.082 9.516 -4.048 1.00 34.23 C ATOM 629 CD GLU A 40 10.348 10.970 -3.645 1.00 21.40 C ATOM 630 OE1 GLU A 40 11.456 11.470 -3.927 1.00 14.11 O ATOM 631 OE2 GLU A 40 9.458 11.615 -3.057 1.00 42.22 O ATOM 0 H GLU A 40 7.707 7.755 -4.651 1.00 4.52 H new ATOM 0 HA GLU A 40 9.372 7.937 -7.074 1.00 50.13 H new ATOM 0 HB2 GLU A 40 10.467 9.758 -6.148 1.00 75.40 H new ATOM 0 HB3 GLU A 40 8.788 9.984 -5.698 1.00 75.40 H new ATOM 0 HG2 GLU A 40 9.297 9.107 -3.412 1.00 34.23 H new ATOM 0 HG3 GLU A 40 10.980 8.925 -3.867 1.00 34.23 H new ATOM 638 N LYS A 41 10.027 6.010 -4.554 1.00 24.52 N ATOM 639 CA LYS A 41 10.901 4.892 -4.148 1.00 42.52 C ATOM 640 C LYS A 41 10.843 3.781 -5.207 1.00 41.23 C ATOM 641 O LYS A 41 9.788 3.551 -5.804 1.00 65.12 O ATOM 642 CB LYS A 41 10.491 4.322 -2.769 1.00 12.40 C ATOM 643 CG LYS A 41 10.691 5.274 -1.572 1.00 44.35 C ATOM 644 CD LYS A 41 12.168 5.751 -1.430 1.00 2.15 C ATOM 645 CE LYS A 41 12.479 6.456 -0.093 1.00 23.41 C ATOM 646 NZ LYS A 41 12.086 5.620 1.062 1.00 24.51 N ATOM 0 H LYS A 41 9.126 6.033 -4.076 1.00 24.52 H new ATOM 0 HA LYS A 41 11.919 5.272 -4.064 1.00 42.52 H new ATOM 0 HB2 LYS A 41 9.440 4.035 -2.811 1.00 12.40 H new ATOM 0 HB3 LYS A 41 11.063 3.412 -2.587 1.00 12.40 H new ATOM 0 HG2 LYS A 41 10.042 6.142 -1.689 1.00 44.35 H new ATOM 0 HG3 LYS A 41 10.386 4.769 -0.655 1.00 44.35 H new ATOM 0 HD2 LYS A 41 12.828 4.890 -1.536 1.00 2.15 H new ATOM 0 HD3 LYS A 41 12.399 6.432 -2.249 1.00 2.15 H new ATOM 0 HE2 LYS A 41 13.544 6.679 -0.037 1.00 23.41 H new ATOM 0 HE3 LYS A 41 11.951 7.409 -0.051 1.00 23.41 H new ATOM 0 HZ1 LYS A 41 12.568 5.962 1.918 1.00 24.51 H new ATOM 0 HZ2 LYS A 41 11.057 5.678 1.198 1.00 24.51 H new ATOM 0 HZ3 LYS A 41 12.357 4.632 0.883 1.00 24.51 H new ATOM 660 N ASP A 42 11.980 3.109 -5.444 1.00 4.40 N ATOM 661 CA ASP A 42 12.054 1.943 -6.345 1.00 64.04 C ATOM 662 C ASP A 42 11.286 0.774 -5.695 1.00 61.34 C ATOM 663 O ASP A 42 11.800 0.128 -4.775 1.00 21.30 O ATOM 664 CB ASP A 42 13.534 1.533 -6.626 1.00 73.12 C ATOM 665 CG ASP A 42 14.405 2.682 -7.165 1.00 61.34 C ATOM 666 OD1 ASP A 42 15.006 3.420 -6.359 1.00 64.31 O ATOM 667 OD2 ASP A 42 14.495 2.858 -8.399 1.00 71.42 O ATOM 0 H ASP A 42 12.874 3.356 -5.019 1.00 4.40 H new ATOM 0 HA ASP A 42 11.604 2.202 -7.303 1.00 64.04 H new ATOM 0 HB2 ASP A 42 13.978 1.154 -5.705 1.00 73.12 H new ATOM 0 HB3 ASP A 42 13.544 0.714 -7.345 1.00 73.12 H new ATOM 672 N ILE A 43 10.021 0.580 -6.104 1.00 60.44 N ATOM 673 CA ILE A 43 9.182 -0.540 -5.639 1.00 75.25 C ATOM 674 C ILE A 43 9.166 -1.655 -6.697 1.00 34.01 C ATOM 675 O ILE A 43 9.129 -1.371 -7.900 1.00 33.15 O ATOM 676 CB ILE A 43 7.715 -0.064 -5.271 1.00 62.32 C ATOM 677 CG1 ILE A 43 7.011 0.647 -6.471 1.00 13.31 C ATOM 678 CG2 ILE A 43 7.729 0.848 -4.021 1.00 43.10 C ATOM 679 CD1 ILE A 43 5.685 1.328 -6.133 1.00 34.03 C ATOM 0 H ILE A 43 9.550 1.195 -6.767 1.00 60.44 H new ATOM 0 HA ILE A 43 9.618 -0.937 -4.722 1.00 75.25 H new ATOM 0 HB ILE A 43 7.135 -0.957 -5.040 1.00 62.32 H new ATOM 0 HG12 ILE A 43 7.691 1.394 -6.881 1.00 13.31 H new ATOM 0 HG13 ILE A 43 6.834 -0.088 -7.256 1.00 13.31 H new ATOM 0 HG21 ILE A 43 6.711 1.162 -3.788 1.00 43.10 H new ATOM 0 HG22 ILE A 43 8.142 0.299 -3.175 1.00 43.10 H new ATOM 0 HG23 ILE A 43 8.343 1.726 -4.218 1.00 43.10 H new ATOM 0 HD11 ILE A 43 5.275 1.792 -7.030 1.00 34.03 H new ATOM 0 HD12 ILE A 43 4.981 0.587 -5.754 1.00 34.03 H new ATOM 0 HD13 ILE A 43 5.851 2.092 -5.373 1.00 34.03 H new ATOM 691 N SER A 44 9.204 -2.916 -6.223 1.00 41.04 N ATOM 692 CA SER A 44 9.236 -4.141 -7.070 1.00 35.21 C ATOM 693 C SER A 44 8.038 -4.134 -8.072 1.00 13.04 C ATOM 694 O SER A 44 7.031 -3.486 -7.783 1.00 54.05 O ATOM 695 CB SER A 44 9.229 -5.386 -6.117 1.00 74.23 C ATOM 696 OG SER A 44 10.152 -5.209 -5.051 1.00 71.42 O ATOM 0 H SER A 44 9.214 -3.123 -5.224 1.00 41.04 H new ATOM 0 HA SER A 44 10.139 -4.178 -7.679 1.00 35.21 H new ATOM 0 HB2 SER A 44 8.227 -5.537 -5.715 1.00 74.23 H new ATOM 0 HB3 SER A 44 9.485 -6.283 -6.681 1.00 74.23 H new ATOM 0 HG SER A 44 9.678 -4.877 -4.260 1.00 71.42 H new ATOM 702 N GLN A 45 8.159 -4.792 -9.254 1.00 14.13 N ATOM 703 CA GLN A 45 7.103 -4.767 -10.315 1.00 41.12 C ATOM 704 C GLN A 45 5.674 -5.074 -9.765 1.00 55.22 C ATOM 705 O GLN A 45 4.705 -4.372 -10.099 1.00 25.01 O ATOM 706 CB GLN A 45 7.474 -5.746 -11.473 1.00 3.14 C ATOM 707 CG GLN A 45 6.398 -5.893 -12.576 1.00 5.12 C ATOM 708 CD GLN A 45 6.791 -6.841 -13.716 1.00 0.22 C ATOM 709 OE1 GLN A 45 7.548 -7.787 -13.525 1.00 62.35 O ATOM 710 NE2 GLN A 45 6.257 -6.612 -14.906 1.00 44.40 N ATOM 0 H GLN A 45 8.977 -5.349 -9.502 1.00 14.13 H new ATOM 0 HA GLN A 45 7.069 -3.748 -10.702 1.00 41.12 H new ATOM 0 HB2 GLN A 45 8.401 -5.405 -11.934 1.00 3.14 H new ATOM 0 HB3 GLN A 45 7.673 -6.730 -11.047 1.00 3.14 H new ATOM 0 HG2 GLN A 45 5.475 -6.253 -12.122 1.00 5.12 H new ATOM 0 HG3 GLN A 45 6.185 -4.909 -12.994 1.00 5.12 H new ATOM 0 HE21 GLN A 45 5.630 -5.818 -15.040 1.00 44.40 H new ATOM 0 HE22 GLN A 45 6.472 -7.229 -15.689 1.00 44.40 H new ATOM 719 N GLU A 46 5.588 -6.058 -8.849 1.00 5.21 N ATOM 720 CA GLU A 46 4.311 -6.565 -8.287 1.00 34.24 C ATOM 721 C GLU A 46 3.784 -5.607 -7.188 1.00 74.34 C ATOM 722 O GLU A 46 2.591 -5.583 -6.864 1.00 12.03 O ATOM 723 CB GLU A 46 4.515 -7.992 -7.684 1.00 33.35 C ATOM 724 CG GLU A 46 5.124 -9.063 -8.637 1.00 60.35 C ATOM 725 CD GLU A 46 6.620 -8.856 -8.959 1.00 74.34 C ATOM 726 OE1 GLU A 46 7.394 -8.497 -8.033 1.00 45.30 O ATOM 727 OE2 GLU A 46 7.031 -9.047 -10.125 1.00 2.53 O ATOM 0 H GLU A 46 6.409 -6.531 -8.471 1.00 5.21 H new ATOM 0 HA GLU A 46 3.579 -6.617 -9.093 1.00 34.24 H new ATOM 0 HB2 GLU A 46 5.160 -7.905 -6.810 1.00 33.35 H new ATOM 0 HB3 GLU A 46 3.550 -8.356 -7.332 1.00 33.35 H new ATOM 0 HG2 GLU A 46 4.995 -10.047 -8.187 1.00 60.35 H new ATOM 0 HG3 GLU A 46 4.561 -9.063 -9.570 1.00 60.35 H new ATOM 734 N GLU A 47 4.712 -4.808 -6.667 1.00 21.22 N ATOM 735 CA GLU A 47 4.519 -3.888 -5.526 1.00 71.33 C ATOM 736 C GLU A 47 3.986 -2.553 -6.089 1.00 61.01 C ATOM 737 O GLU A 47 3.140 -1.879 -5.479 1.00 23.24 O ATOM 738 CB GLU A 47 5.913 -3.714 -4.815 1.00 44.32 C ATOM 739 CG GLU A 47 5.956 -3.146 -3.376 1.00 63.41 C ATOM 740 CD GLU A 47 7.383 -3.163 -2.769 1.00 32.42 C ATOM 741 OE1 GLU A 47 8.106 -4.187 -2.924 1.00 25.22 O ATOM 742 OE2 GLU A 47 7.779 -2.178 -2.122 1.00 2.20 O ATOM 0 H GLU A 47 5.662 -4.775 -7.037 1.00 21.22 H new ATOM 0 HA GLU A 47 3.803 -4.265 -4.795 1.00 71.33 H new ATOM 0 HB2 GLU A 47 6.398 -4.690 -4.798 1.00 44.32 H new ATOM 0 HB3 GLU A 47 6.524 -3.066 -5.443 1.00 44.32 H new ATOM 0 HG2 GLU A 47 5.580 -2.123 -3.382 1.00 63.41 H new ATOM 0 HG3 GLU A 47 5.288 -3.727 -2.740 1.00 63.41 H new ATOM 749 N ARG A 48 4.499 -2.226 -7.298 1.00 61.33 N ATOM 750 CA ARG A 48 4.035 -1.110 -8.122 1.00 34.52 C ATOM 751 C ARG A 48 2.613 -1.399 -8.594 1.00 13.11 C ATOM 752 O ARG A 48 1.757 -0.521 -8.565 1.00 60.41 O ATOM 753 CB ARG A 48 4.989 -0.897 -9.325 1.00 54.54 C ATOM 754 CG ARG A 48 4.744 0.413 -10.107 1.00 63.23 C ATOM 755 CD ARG A 48 5.589 0.506 -11.384 1.00 55.34 C ATOM 756 NE ARG A 48 7.029 0.383 -11.089 1.00 70.25 N ATOM 757 CZ ARG A 48 7.888 -0.445 -11.708 1.00 34.23 C ATOM 758 NH1 ARG A 48 7.480 -1.253 -12.681 1.00 32.12 N ATOM 759 NH2 ARG A 48 9.160 -0.443 -11.354 1.00 72.03 N ATOM 0 H ARG A 48 5.263 -2.748 -7.727 1.00 61.33 H new ATOM 0 HA ARG A 48 4.034 -0.192 -7.534 1.00 34.52 H new ATOM 0 HB2 ARG A 48 6.017 -0.904 -8.964 1.00 54.54 H new ATOM 0 HB3 ARG A 48 4.886 -1.739 -10.009 1.00 54.54 H new ATOM 0 HG2 ARG A 48 3.688 0.483 -10.369 1.00 63.23 H new ATOM 0 HG3 ARG A 48 4.970 1.263 -9.464 1.00 63.23 H new ATOM 0 HD2 ARG A 48 5.290 -0.280 -12.077 1.00 55.34 H new ATOM 0 HD3 ARG A 48 5.398 1.458 -11.880 1.00 55.34 H new ATOM 0 HE ARG A 48 7.406 0.978 -10.351 1.00 70.25 H new ATOM 0 HH11 ARG A 48 6.501 -1.251 -12.969 1.00 32.12 H new ATOM 0 HH12 ARG A 48 8.145 -1.875 -13.140 1.00 32.12 H new ATOM 0 HH21 ARG A 48 9.483 0.183 -10.617 1.00 72.03 H new ATOM 0 HH22 ARG A 48 9.819 -1.068 -11.818 1.00 72.03 H new ATOM 773 N ASN A 49 2.382 -2.671 -9.002 1.00 61.01 N ATOM 774 CA ASN A 49 1.044 -3.156 -9.371 1.00 64.32 C ATOM 775 C ASN A 49 0.059 -3.005 -8.187 1.00 71.43 C ATOM 776 O ASN A 49 -1.067 -2.572 -8.381 1.00 42.35 O ATOM 777 CB ASN A 49 1.083 -4.628 -9.885 1.00 23.34 C ATOM 778 CG ASN A 49 1.804 -4.799 -11.234 1.00 45.05 C ATOM 779 OD1 ASN A 49 2.000 -3.837 -11.983 1.00 32.14 O ATOM 780 ND2 ASN A 49 2.133 -6.035 -11.591 1.00 64.33 N ATOM 0 H ASN A 49 3.114 -3.377 -9.082 1.00 61.01 H new ATOM 0 HA ASN A 49 0.686 -2.537 -10.194 1.00 64.32 H new ATOM 0 HB2 ASN A 49 1.577 -5.250 -9.139 1.00 23.34 H new ATOM 0 HB3 ASN A 49 0.062 -4.996 -9.981 1.00 23.34 H new ATOM 0 HD21 ASN A 49 2.558 -6.207 -12.502 1.00 64.33 H new ATOM 0 HD22 ASN A 49 1.961 -6.813 -10.954 1.00 64.33 H new ATOM 787 N ALA A 50 0.535 -3.307 -6.961 1.00 11.13 N ATOM 788 CA ALA A 50 -0.274 -3.234 -5.721 1.00 54.33 C ATOM 789 C ALA A 50 -0.762 -1.799 -5.419 1.00 62.55 C ATOM 790 O ALA A 50 -1.964 -1.577 -5.220 1.00 63.13 O ATOM 791 CB ALA A 50 0.533 -3.786 -4.535 1.00 40.14 C ATOM 0 H ALA A 50 1.496 -3.610 -6.800 1.00 11.13 H new ATOM 0 HA ALA A 50 -1.163 -3.846 -5.875 1.00 54.33 H new ATOM 0 HB1 ALA A 50 -0.068 -3.729 -3.628 1.00 40.14 H new ATOM 0 HB2 ALA A 50 0.800 -4.825 -4.729 1.00 40.14 H new ATOM 0 HB3 ALA A 50 1.441 -3.196 -4.406 1.00 40.14 H new ATOM 797 N LEU A 51 0.180 -0.830 -5.393 1.00 3.11 N ATOM 798 CA LEU A 51 -0.134 0.577 -5.038 1.00 20.32 C ATOM 799 C LEU A 51 -0.890 1.306 -6.188 1.00 65.25 C ATOM 800 O LEU A 51 -1.677 2.225 -5.925 1.00 4.20 O ATOM 801 CB LEU A 51 1.161 1.356 -4.623 1.00 43.13 C ATOM 802 CG LEU A 51 2.055 0.748 -3.468 1.00 10.45 C ATOM 803 CD1 LEU A 51 3.307 1.623 -3.209 1.00 64.40 C ATOM 804 CD2 LEU A 51 1.278 0.513 -2.144 1.00 44.44 C ATOM 0 H LEU A 51 1.163 -0.993 -5.613 1.00 3.11 H new ATOM 0 HA LEU A 51 -0.802 0.556 -4.177 1.00 20.32 H new ATOM 0 HB2 LEU A 51 1.786 1.460 -5.510 1.00 43.13 H new ATOM 0 HB3 LEU A 51 0.864 2.361 -4.322 1.00 43.13 H new ATOM 0 HG LEU A 51 2.371 -0.233 -3.824 1.00 10.45 H new ATOM 0 HD11 LEU A 51 3.902 1.180 -2.410 1.00 64.40 H new ATOM 0 HD12 LEU A 51 3.906 1.680 -4.118 1.00 64.40 H new ATOM 0 HD13 LEU A 51 2.996 2.626 -2.916 1.00 64.40 H new ATOM 0 HD21 LEU A 51 1.952 0.095 -1.396 1.00 44.44 H new ATOM 0 HD22 LEU A 51 0.879 1.461 -1.783 1.00 44.44 H new ATOM 0 HD23 LEU A 51 0.457 -0.182 -2.322 1.00 44.44 H new ATOM 816 N ASN A 52 -0.644 0.886 -7.451 1.00 41.35 N ATOM 817 CA ASN A 52 -1.417 1.367 -8.631 1.00 22.24 C ATOM 818 C ASN A 52 -2.891 0.884 -8.582 1.00 22.15 C ATOM 819 O ASN A 52 -3.823 1.670 -8.818 1.00 51.05 O ATOM 820 CB ASN A 52 -0.761 0.943 -9.981 1.00 43.25 C ATOM 821 CG ASN A 52 0.487 1.758 -10.348 1.00 70.20 C ATOM 822 OD1 ASN A 52 1.253 2.182 -9.479 1.00 21.45 O ATOM 823 ND2 ASN A 52 0.674 2.024 -11.635 1.00 22.41 N ATOM 0 H ASN A 52 0.086 0.213 -7.684 1.00 41.35 H new ATOM 0 HA ASN A 52 -1.404 2.456 -8.580 1.00 22.24 H new ATOM 0 HB2 ASN A 52 -0.492 -0.112 -9.927 1.00 43.25 H new ATOM 0 HB3 ASN A 52 -1.497 1.044 -10.779 1.00 43.25 H new ATOM 0 HD21 ASN A 52 1.468 2.593 -11.928 1.00 22.41 H new ATOM 0 HD22 ASN A 52 0.024 1.659 -12.331 1.00 22.41 H new ATOM 830 N ILE A 53 -3.078 -0.419 -8.265 1.00 62.04 N ATOM 831 CA ILE A 53 -4.411 -1.053 -8.105 1.00 10.21 C ATOM 832 C ILE A 53 -5.202 -0.346 -6.992 1.00 35.40 C ATOM 833 O ILE A 53 -6.396 -0.035 -7.155 1.00 0.41 O ATOM 834 CB ILE A 53 -4.261 -2.605 -7.800 1.00 74.45 C ATOM 835 CG1 ILE A 53 -3.937 -3.390 -9.117 1.00 5.15 C ATOM 836 CG2 ILE A 53 -5.485 -3.208 -7.060 1.00 51.05 C ATOM 837 CD1 ILE A 53 -3.633 -4.869 -8.920 1.00 3.44 C ATOM 0 H ILE A 53 -2.304 -1.065 -8.112 1.00 62.04 H new ATOM 0 HA ILE A 53 -4.963 -0.949 -9.039 1.00 10.21 H new ATOM 0 HB ILE A 53 -3.423 -2.713 -7.111 1.00 74.45 H new ATOM 0 HG12 ILE A 53 -4.783 -3.295 -9.798 1.00 5.15 H new ATOM 0 HG13 ILE A 53 -3.082 -2.919 -9.603 1.00 5.15 H new ATOM 0 HG21 ILE A 53 -5.316 -4.270 -6.883 1.00 51.05 H new ATOM 0 HG22 ILE A 53 -5.621 -2.698 -6.106 1.00 51.05 H new ATOM 0 HG23 ILE A 53 -6.379 -3.079 -7.670 1.00 51.05 H new ATOM 0 HD11 ILE A 53 -3.421 -5.329 -9.885 1.00 3.44 H new ATOM 0 HD12 ILE A 53 -2.767 -4.979 -8.268 1.00 3.44 H new ATOM 0 HD13 ILE A 53 -4.494 -5.360 -8.466 1.00 3.44 H new ATOM 849 N ALA A 54 -4.494 -0.065 -5.878 1.00 61.44 N ATOM 850 CA ALA A 54 -5.046 0.657 -4.733 1.00 33.44 C ATOM 851 C ALA A 54 -5.500 2.064 -5.151 1.00 33.11 C ATOM 852 O ALA A 54 -6.613 2.466 -4.829 1.00 61.43 O ATOM 853 CB ALA A 54 -4.006 0.739 -3.609 1.00 34.04 C ATOM 0 H ALA A 54 -3.519 -0.338 -5.756 1.00 61.44 H new ATOM 0 HA ALA A 54 -5.916 0.113 -4.364 1.00 33.44 H new ATOM 0 HB1 ALA A 54 -4.428 1.279 -2.761 1.00 34.04 H new ATOM 0 HB2 ALA A 54 -3.728 -0.268 -3.296 1.00 34.04 H new ATOM 0 HB3 ALA A 54 -3.121 1.264 -3.969 1.00 34.04 H new ATOM 859 N GLU A 55 -4.630 2.769 -5.923 1.00 13.41 N ATOM 860 CA GLU A 55 -4.869 4.162 -6.372 1.00 43.35 C ATOM 861 C GLU A 55 -6.140 4.297 -7.237 1.00 62.42 C ATOM 862 O GLU A 55 -6.928 5.243 -7.050 1.00 2.53 O ATOM 863 CB GLU A 55 -3.654 4.697 -7.169 1.00 31.24 C ATOM 864 CG GLU A 55 -3.669 6.214 -7.445 1.00 50.24 C ATOM 865 CD GLU A 55 -3.477 7.042 -6.167 1.00 44.05 C ATOM 866 OE1 GLU A 55 -2.329 7.122 -5.683 1.00 25.54 O ATOM 867 OE2 GLU A 55 -4.455 7.611 -5.646 1.00 10.11 O ATOM 0 H GLU A 55 -3.744 2.384 -6.250 1.00 13.41 H new ATOM 0 HA GLU A 55 -5.012 4.754 -5.468 1.00 43.35 H new ATOM 0 HB2 GLU A 55 -2.744 4.452 -6.622 1.00 31.24 H new ATOM 0 HB3 GLU A 55 -3.604 4.171 -8.122 1.00 31.24 H new ATOM 0 HG2 GLU A 55 -2.880 6.459 -8.156 1.00 50.24 H new ATOM 0 HG3 GLU A 55 -4.615 6.486 -7.913 1.00 50.24 H new ATOM 874 N LYS A 56 -6.334 3.343 -8.179 1.00 5.30 N ATOM 875 CA LYS A 56 -7.510 3.353 -9.075 1.00 22.53 C ATOM 876 C LYS A 56 -8.805 3.160 -8.254 1.00 62.33 C ATOM 877 O LYS A 56 -9.835 3.790 -8.527 1.00 25.42 O ATOM 878 CB LYS A 56 -7.384 2.278 -10.195 1.00 43.14 C ATOM 879 CG LYS A 56 -6.325 2.593 -11.279 1.00 15.53 C ATOM 880 CD LYS A 56 -6.646 3.889 -12.062 1.00 1.44 C ATOM 881 CE LYS A 56 -5.604 4.213 -13.148 1.00 1.23 C ATOM 882 NZ LYS A 56 -5.949 5.456 -13.902 1.00 21.50 N ATOM 0 H LYS A 56 -5.695 2.563 -8.336 1.00 5.30 H new ATOM 0 HA LYS A 56 -7.555 4.324 -9.569 1.00 22.53 H new ATOM 0 HB2 LYS A 56 -7.139 1.321 -9.735 1.00 43.14 H new ATOM 0 HB3 LYS A 56 -8.354 2.161 -10.678 1.00 43.14 H new ATOM 0 HG2 LYS A 56 -5.346 2.689 -10.809 1.00 15.53 H new ATOM 0 HG3 LYS A 56 -6.263 1.757 -11.976 1.00 15.53 H new ATOM 0 HD2 LYS A 56 -7.627 3.792 -12.526 1.00 1.44 H new ATOM 0 HD3 LYS A 56 -6.705 4.723 -11.363 1.00 1.44 H new ATOM 0 HE2 LYS A 56 -4.623 4.329 -12.686 1.00 1.23 H new ATOM 0 HE3 LYS A 56 -5.532 3.376 -13.842 1.00 1.23 H new ATOM 0 HZ1 LYS A 56 -5.222 5.638 -14.623 1.00 21.50 H new ATOM 0 HZ2 LYS A 56 -6.873 5.336 -14.364 1.00 21.50 H new ATOM 0 HZ3 LYS A 56 -5.993 6.260 -13.244 1.00 21.50 H new ATOM 896 N ALA A 57 -8.705 2.326 -7.208 1.00 51.44 N ATOM 897 CA ALA A 57 -9.808 2.058 -6.278 1.00 72.21 C ATOM 898 C ALA A 57 -10.058 3.256 -5.321 1.00 70.23 C ATOM 899 O ALA A 57 -11.205 3.470 -4.889 1.00 2.15 O ATOM 900 CB ALA A 57 -9.529 0.765 -5.497 1.00 11.14 C ATOM 0 H ALA A 57 -7.850 1.816 -6.984 1.00 51.44 H new ATOM 0 HA ALA A 57 -10.721 1.926 -6.858 1.00 72.21 H new ATOM 0 HB1 ALA A 57 -10.351 0.571 -4.808 1.00 11.14 H new ATOM 0 HB2 ALA A 57 -9.435 -0.068 -6.194 1.00 11.14 H new ATOM 0 HB3 ALA A 57 -8.602 0.873 -4.934 1.00 11.14 H new ATOM 906 N LEU A 58 -8.982 4.031 -4.988 1.00 0.41 N ATOM 907 CA LEU A 58 -9.102 5.273 -4.174 1.00 73.11 C ATOM 908 C LEU A 58 -9.943 6.299 -4.964 1.00 23.14 C ATOM 909 O LEU A 58 -10.835 6.952 -4.403 1.00 44.30 O ATOM 910 CB LEU A 58 -7.700 5.930 -3.814 1.00 52.24 C ATOM 911 CG LEU A 58 -6.546 5.070 -3.071 1.00 74.43 C ATOM 912 CD1 LEU A 58 -5.227 5.869 -2.797 1.00 31.42 C ATOM 913 CD2 LEU A 58 -6.977 4.349 -1.751 1.00 5.13 C ATOM 0 H LEU A 58 -8.026 3.815 -5.272 1.00 0.41 H new ATOM 0 HA LEU A 58 -9.575 4.996 -3.232 1.00 73.11 H new ATOM 0 HB2 LEU A 58 -7.272 6.302 -4.745 1.00 52.24 H new ATOM 0 HB3 LEU A 58 -7.905 6.798 -3.188 1.00 52.24 H new ATOM 0 HG LEU A 58 -6.352 4.298 -3.816 1.00 74.43 H new ATOM 0 HD11 LEU A 58 -4.506 5.221 -2.297 1.00 31.42 H new ATOM 0 HD12 LEU A 58 -4.809 6.216 -3.742 1.00 31.42 H new ATOM 0 HD13 LEU A 58 -5.446 6.726 -2.161 1.00 31.42 H new ATOM 0 HD21 LEU A 58 -6.127 3.804 -1.340 1.00 5.13 H new ATOM 0 HD22 LEU A 58 -7.318 5.089 -1.027 1.00 5.13 H new ATOM 0 HD23 LEU A 58 -7.786 3.651 -1.965 1.00 5.13 H new ATOM 925 N ASP A 59 -9.661 6.398 -6.281 1.00 40.32 N ATOM 926 CA ASP A 59 -10.388 7.312 -7.191 1.00 34.14 C ATOM 927 C ASP A 59 -11.850 6.875 -7.359 1.00 74.14 C ATOM 928 O ASP A 59 -12.737 7.714 -7.536 1.00 23.20 O ATOM 929 CB ASP A 59 -9.697 7.388 -8.577 1.00 33.03 C ATOM 930 CG ASP A 59 -10.280 8.494 -9.484 1.00 65.54 C ATOM 931 OD1 ASP A 59 -10.857 8.186 -10.555 1.00 1.41 O ATOM 932 OD2 ASP A 59 -10.165 9.687 -9.122 1.00 13.54 O ATOM 0 H ASP A 59 -8.931 5.853 -6.740 1.00 40.32 H new ATOM 0 HA ASP A 59 -10.370 8.304 -6.739 1.00 34.14 H new ATOM 0 HB2 ASP A 59 -8.631 7.566 -8.436 1.00 33.03 H new ATOM 0 HB3 ASP A 59 -9.795 6.425 -9.079 1.00 33.03 H new ATOM 937 N ASN A 60 -12.085 5.547 -7.312 1.00 33.35 N ATOM 938 CA ASN A 60 -13.445 4.980 -7.390 1.00 41.34 C ATOM 939 C ASN A 60 -14.151 5.040 -6.007 1.00 51.42 C ATOM 940 O ASN A 60 -15.385 4.977 -5.952 1.00 61.10 O ATOM 941 CB ASN A 60 -13.409 3.514 -7.950 1.00 10.23 C ATOM 942 CG ASN A 60 -14.806 2.956 -8.280 1.00 23.32 C ATOM 943 OD1 ASN A 60 -15.699 3.689 -8.717 1.00 64.40 O ATOM 944 ND2 ASN A 60 -15.017 1.674 -8.049 1.00 43.33 N ATOM 0 H ASN A 60 -11.348 4.848 -7.220 1.00 33.35 H new ATOM 0 HA ASN A 60 -14.026 5.586 -8.085 1.00 41.34 H new ATOM 0 HB2 ASN A 60 -12.794 3.491 -8.849 1.00 10.23 H new ATOM 0 HB3 ASN A 60 -12.929 2.864 -7.218 1.00 10.23 H new ATOM 0 HD21 ASN A 60 -15.934 1.267 -8.232 1.00 43.33 H new ATOM 0 HD22 ASN A 60 -14.263 1.090 -7.688 1.00 43.33 H new ATOM 951 N SER A 61 -13.363 5.226 -4.908 1.00 32.51 N ATOM 952 CA SER A 61 -13.883 5.350 -3.530 1.00 24.01 C ATOM 953 C SER A 61 -14.809 4.166 -3.143 1.00 43.22 C ATOM 954 O SER A 61 -15.997 4.368 -2.851 1.00 64.30 O ATOM 955 CB SER A 61 -14.592 6.716 -3.342 1.00 43.03 C ATOM 956 OG SER A 61 -14.960 6.931 -1.987 1.00 32.23 O ATOM 0 H SER A 61 -12.347 5.293 -4.963 1.00 32.51 H new ATOM 0 HA SER A 61 -13.033 5.308 -2.850 1.00 24.01 H new ATOM 0 HB2 SER A 61 -13.932 7.518 -3.672 1.00 43.03 H new ATOM 0 HB3 SER A 61 -15.481 6.755 -3.972 1.00 43.03 H new ATOM 0 HG SER A 61 -15.583 6.230 -1.702 1.00 32.23 H new ATOM 962 N GLU A 62 -14.275 2.927 -3.199 1.00 13.14 N ATOM 963 CA GLU A 62 -15.051 1.717 -2.828 1.00 22.11 C ATOM 964 C GLU A 62 -15.380 1.703 -1.315 1.00 13.23 C ATOM 965 O GLU A 62 -16.560 1.802 -0.948 1.00 63.14 O ATOM 966 CB GLU A 62 -14.351 0.403 -3.292 1.00 35.34 C ATOM 967 CG GLU A 62 -14.539 0.092 -4.789 1.00 61.01 C ATOM 968 CD GLU A 62 -16.017 -0.106 -5.179 1.00 14.00 C ATOM 969 OE1 GLU A 62 -16.597 0.755 -5.867 1.00 44.53 O ATOM 970 OE2 GLU A 62 -16.613 -1.130 -4.779 1.00 34.44 O ATOM 0 H GLU A 62 -13.318 2.736 -3.495 1.00 13.14 H new ATOM 0 HA GLU A 62 -15.999 1.763 -3.364 1.00 22.11 H new ATOM 0 HB2 GLU A 62 -13.285 0.475 -3.077 1.00 35.34 H new ATOM 0 HB3 GLU A 62 -14.739 -0.430 -2.706 1.00 35.34 H new ATOM 0 HG2 GLU A 62 -14.118 0.906 -5.380 1.00 61.01 H new ATOM 0 HG3 GLU A 62 -13.978 -0.808 -5.041 1.00 61.01 H new ATOM 977 N TYR A 63 -14.341 1.617 -0.458 1.00 3.42 N ATOM 978 CA TYR A 63 -14.475 1.672 1.004 1.00 11.12 C ATOM 979 C TYR A 63 -13.048 1.561 1.596 1.00 41.14 C ATOM 980 O TYR A 63 -12.148 0.982 0.957 1.00 43.42 O ATOM 981 CB TYR A 63 -15.407 0.523 1.530 1.00 11.30 C ATOM 982 CG TYR A 63 -16.263 0.903 2.735 1.00 71.10 C ATOM 983 CD1 TYR A 63 -16.084 0.327 3.983 1.00 4.41 C ATOM 984 CD2 TYR A 63 -17.257 1.870 2.601 1.00 54.43 C ATOM 985 CE1 TYR A 63 -16.861 0.701 5.065 1.00 54.43 C ATOM 986 CE2 TYR A 63 -18.038 2.248 3.673 1.00 23.31 C ATOM 987 CZ TYR A 63 -17.832 1.664 4.903 1.00 61.40 C ATOM 988 OH TYR A 63 -18.605 2.039 5.978 1.00 11.20 O ATOM 0 H TYR A 63 -13.376 1.506 -0.770 1.00 3.42 H new ATOM 0 HA TYR A 63 -14.941 2.608 1.313 1.00 11.12 H new ATOM 0 HB2 TYR A 63 -16.063 0.206 0.720 1.00 11.30 H new ATOM 0 HB3 TYR A 63 -14.790 -0.335 1.795 1.00 11.30 H new ATOM 0 HD1 TYR A 63 -15.323 -0.428 4.113 1.00 4.41 H new ATOM 0 HD2 TYR A 63 -17.419 2.333 1.639 1.00 54.43 H new ATOM 0 HE1 TYR A 63 -16.707 0.241 6.030 1.00 54.43 H new ATOM 0 HE2 TYR A 63 -18.806 2.997 3.549 1.00 23.31 H new ATOM 0 HH TYR A 63 -19.242 2.729 5.698 1.00 11.20 H new ATOM 998 N LEU A 64 -12.846 2.037 2.838 1.00 21.33 N ATOM 999 CA LEU A 64 -11.466 2.122 3.427 1.00 32.33 C ATOM 1000 C LEU A 64 -11.015 0.700 3.856 1.00 12.24 C ATOM 1001 O LEU A 64 -9.925 0.263 3.458 1.00 70.31 O ATOM 1002 CB LEU A 64 -11.267 3.195 4.605 1.00 3.42 C ATOM 1003 CG LEU A 64 -10.672 4.638 4.312 1.00 25.34 C ATOM 1004 CD1 LEU A 64 -9.247 4.591 3.702 1.00 60.43 C ATOM 1005 CD2 LEU A 64 -11.601 5.607 3.520 1.00 32.52 C ATOM 0 H LEU A 64 -13.591 2.365 3.453 1.00 21.33 H new ATOM 0 HA LEU A 64 -10.823 2.511 2.638 1.00 32.33 H new ATOM 0 HB2 LEU A 64 -12.242 3.341 5.070 1.00 3.42 H new ATOM 0 HB3 LEU A 64 -10.623 2.731 5.353 1.00 3.42 H new ATOM 0 HG LEU A 64 -10.600 5.078 5.307 1.00 25.34 H new ATOM 0 HD11 LEU A 64 -8.894 5.607 3.524 1.00 60.43 H new ATOM 0 HD12 LEU A 64 -8.571 4.088 4.394 1.00 60.43 H new ATOM 0 HD13 LEU A 64 -9.273 4.045 2.759 1.00 60.43 H new ATOM 0 HD21 LEU A 64 -11.094 6.561 3.377 1.00 32.52 H new ATOM 0 HD22 LEU A 64 -11.837 5.172 2.549 1.00 32.52 H new ATOM 0 HD23 LEU A 64 -12.523 5.766 4.080 1.00 32.52 H new ATOM 1017 N PRO A 65 -11.860 -0.061 4.655 1.00 4.33 N ATOM 1018 CA PRO A 65 -11.695 -1.525 4.834 1.00 42.40 C ATOM 1019 C PRO A 65 -11.431 -2.304 3.533 1.00 3.22 C ATOM 1020 O PRO A 65 -10.660 -3.268 3.547 1.00 25.20 O ATOM 1021 CB PRO A 65 -13.061 -1.950 5.409 1.00 74.31 C ATOM 1022 CG PRO A 65 -13.491 -0.796 6.241 1.00 42.34 C ATOM 1023 CD PRO A 65 -12.967 0.441 5.531 1.00 43.32 C ATOM 0 HA PRO A 65 -10.827 -1.740 5.457 1.00 42.40 H new ATOM 0 HB2 PRO A 65 -13.779 -2.156 4.615 1.00 74.31 H new ATOM 0 HB3 PRO A 65 -12.975 -2.859 6.005 1.00 74.31 H new ATOM 0 HG2 PRO A 65 -14.577 -0.764 6.334 1.00 42.34 H new ATOM 0 HG3 PRO A 65 -13.086 -0.869 7.251 1.00 42.34 H new ATOM 0 HD2 PRO A 65 -13.750 0.921 4.944 1.00 43.32 H new ATOM 0 HD3 PRO A 65 -12.603 1.182 6.243 1.00 43.32 H new ATOM 1031 N LYS A 66 -12.054 -1.858 2.412 1.00 25.33 N ATOM 1032 CA LYS A 66 -12.071 -2.644 1.164 1.00 31.23 C ATOM 1033 C LYS A 66 -10.713 -2.550 0.465 1.00 23.44 C ATOM 1034 O LYS A 66 -10.190 -3.551 -0.029 1.00 35.42 O ATOM 1035 CB LYS A 66 -13.224 -2.219 0.198 1.00 2.32 C ATOM 1036 CG LYS A 66 -14.626 -2.762 0.577 1.00 60.44 C ATOM 1037 CD LYS A 66 -14.702 -4.307 0.637 1.00 21.52 C ATOM 1038 CE LYS A 66 -16.097 -4.799 1.052 1.00 30.32 C ATOM 1039 NZ LYS A 66 -16.174 -6.286 1.120 1.00 52.12 N ATOM 0 H LYS A 66 -12.545 -0.966 2.353 1.00 25.33 H new ATOM 0 HA LYS A 66 -12.264 -3.681 1.438 1.00 31.23 H new ATOM 0 HB2 LYS A 66 -13.269 -1.130 0.166 1.00 2.32 H new ATOM 0 HB3 LYS A 66 -12.979 -2.558 -0.808 1.00 2.32 H new ATOM 0 HG2 LYS A 66 -14.913 -2.355 1.547 1.00 60.44 H new ATOM 0 HG3 LYS A 66 -15.354 -2.400 -0.149 1.00 60.44 H new ATOM 0 HD2 LYS A 66 -14.447 -4.721 -0.339 1.00 21.52 H new ATOM 0 HD3 LYS A 66 -13.961 -4.679 1.344 1.00 21.52 H new ATOM 0 HE2 LYS A 66 -16.354 -4.379 2.025 1.00 30.32 H new ATOM 0 HE3 LYS A 66 -16.836 -4.431 0.341 1.00 30.32 H new ATOM 0 HZ1 LYS A 66 -17.133 -6.571 1.404 1.00 52.12 H new ATOM 0 HZ2 LYS A 66 -15.955 -6.688 0.186 1.00 52.12 H new ATOM 0 HZ3 LYS A 66 -15.488 -6.638 1.818 1.00 52.12 H new ATOM 1053 N ILE A 67 -10.132 -1.345 0.458 1.00 62.40 N ATOM 1054 CA ILE A 67 -8.833 -1.106 -0.191 1.00 34.45 C ATOM 1055 C ILE A 67 -7.678 -1.602 0.694 1.00 21.32 C ATOM 1056 O ILE A 67 -6.658 -2.066 0.174 1.00 12.14 O ATOM 1057 CB ILE A 67 -8.655 0.405 -0.574 1.00 62.13 C ATOM 1058 CG1 ILE A 67 -9.913 0.851 -1.389 1.00 2.25 C ATOM 1059 CG2 ILE A 67 -7.336 0.636 -1.368 1.00 31.02 C ATOM 1060 CD1 ILE A 67 -9.829 2.219 -2.008 1.00 33.25 C ATOM 0 H ILE A 67 -10.539 -0.518 0.894 1.00 62.40 H new ATOM 0 HA ILE A 67 -8.812 -1.679 -1.118 1.00 34.45 H new ATOM 0 HB ILE A 67 -8.574 1.012 0.328 1.00 62.13 H new ATOM 0 HG12 ILE A 67 -10.089 0.123 -2.181 1.00 2.25 H new ATOM 0 HG13 ILE A 67 -10.781 0.822 -0.730 1.00 2.25 H new ATOM 0 HG21 ILE A 67 -7.242 1.693 -1.618 1.00 31.02 H new ATOM 0 HG22 ILE A 67 -6.486 0.331 -0.758 1.00 31.02 H new ATOM 0 HG23 ILE A 67 -7.355 0.046 -2.285 1.00 31.02 H new ATOM 0 HD11 ILE A 67 -10.751 2.430 -2.550 1.00 33.25 H new ATOM 0 HD12 ILE A 67 -9.689 2.965 -1.225 1.00 33.25 H new ATOM 0 HD13 ILE A 67 -8.986 2.255 -2.698 1.00 33.25 H new ATOM 1072 N ILE A 68 -7.871 -1.549 2.036 1.00 42.30 N ATOM 1073 CA ILE A 68 -6.901 -2.132 2.992 1.00 72.15 C ATOM 1074 C ILE A 68 -6.892 -3.660 2.810 1.00 63.21 C ATOM 1075 O ILE A 68 -5.835 -4.280 2.840 1.00 70.12 O ATOM 1076 CB ILE A 68 -7.199 -1.752 4.500 1.00 62.34 C ATOM 1077 CG1 ILE A 68 -6.974 -0.222 4.749 1.00 20.31 C ATOM 1078 CG2 ILE A 68 -6.345 -2.601 5.490 1.00 43.25 C ATOM 1079 CD1 ILE A 68 -7.328 0.236 6.151 1.00 33.41 C ATOM 0 H ILE A 68 -8.682 -1.113 2.475 1.00 42.30 H new ATOM 0 HA ILE A 68 -5.920 -1.711 2.771 1.00 72.15 H new ATOM 0 HB ILE A 68 -8.248 -1.981 4.689 1.00 62.34 H new ATOM 0 HG12 ILE A 68 -5.929 0.017 4.553 1.00 20.31 H new ATOM 0 HG13 ILE A 68 -7.570 0.343 4.032 1.00 20.31 H new ATOM 0 HG21 ILE A 68 -6.579 -2.310 6.514 1.00 43.25 H new ATOM 0 HG22 ILE A 68 -6.572 -3.658 5.352 1.00 43.25 H new ATOM 0 HG23 ILE A 68 -5.286 -2.429 5.297 1.00 43.25 H new ATOM 0 HD11 ILE A 68 -7.144 1.307 6.241 1.00 33.41 H new ATOM 0 HD12 ILE A 68 -8.381 0.031 6.346 1.00 33.41 H new ATOM 0 HD13 ILE A 68 -6.714 -0.300 6.875 1.00 33.41 H new ATOM 1091 N LEU A 69 -8.088 -4.236 2.558 1.00 21.44 N ATOM 1092 CA LEU A 69 -8.250 -5.671 2.266 1.00 24.53 C ATOM 1093 C LEU A 69 -7.410 -6.049 1.027 1.00 62.23 C ATOM 1094 O LEU A 69 -6.543 -6.897 1.134 1.00 53.12 O ATOM 1095 CB LEU A 69 -9.754 -6.018 2.050 1.00 33.41 C ATOM 1096 CG LEU A 69 -10.121 -7.554 1.807 1.00 41.32 C ATOM 1097 CD1 LEU A 69 -9.504 -8.502 2.866 1.00 40.32 C ATOM 1098 CD2 LEU A 69 -11.662 -7.821 1.692 1.00 63.04 C ATOM 0 H LEU A 69 -8.966 -3.716 2.552 1.00 21.44 H new ATOM 0 HA LEU A 69 -7.894 -6.251 3.117 1.00 24.53 H new ATOM 0 HB2 LEU A 69 -10.309 -5.672 2.922 1.00 33.41 H new ATOM 0 HB3 LEU A 69 -10.113 -5.445 1.195 1.00 33.41 H new ATOM 0 HG LEU A 69 -9.671 -7.781 0.841 1.00 41.32 H new ATOM 0 HD11 LEU A 69 -9.790 -9.530 2.645 1.00 40.32 H new ATOM 0 HD12 LEU A 69 -8.418 -8.415 2.843 1.00 40.32 H new ATOM 0 HD13 LEU A 69 -9.869 -8.229 3.856 1.00 40.32 H new ATOM 0 HD21 LEU A 69 -11.836 -8.884 1.528 1.00 63.04 H new ATOM 0 HD22 LEU A 69 -12.155 -7.511 2.613 1.00 63.04 H new ATOM 0 HD23 LEU A 69 -12.068 -7.253 0.855 1.00 63.04 H new ATOM 1110 N ASN A 70 -7.618 -5.319 -0.102 1.00 45.43 N ATOM 1111 CA ASN A 70 -6.958 -5.615 -1.405 1.00 42.53 C ATOM 1112 C ASN A 70 -5.425 -5.434 -1.327 1.00 40.24 C ATOM 1113 O ASN A 70 -4.662 -6.246 -1.871 1.00 45.00 O ATOM 1114 CB ASN A 70 -7.503 -4.695 -2.545 1.00 73.43 C ATOM 1115 CG ASN A 70 -9.023 -4.686 -2.675 1.00 70.13 C ATOM 1116 OD1 ASN A 70 -9.696 -5.692 -2.437 1.00 62.22 O ATOM 1117 ND2 ASN A 70 -9.573 -3.536 -3.044 1.00 50.15 N ATOM 0 H ASN A 70 -8.243 -4.514 -0.136 1.00 45.43 H new ATOM 0 HA ASN A 70 -7.189 -6.656 -1.630 1.00 42.53 H new ATOM 0 HB2 ASN A 70 -7.160 -3.676 -2.368 1.00 73.43 H new ATOM 0 HB3 ASN A 70 -7.071 -5.017 -3.493 1.00 73.43 H new ATOM 0 HD21 ASN A 70 -10.586 -3.462 -3.139 1.00 50.15 H new ATOM 0 HD22 ASN A 70 -8.983 -2.726 -3.232 1.00 50.15 H new ATOM 1124 N LEU A 71 -4.985 -4.379 -0.612 1.00 61.11 N ATOM 1125 CA LEU A 71 -3.575 -3.938 -0.623 1.00 32.30 C ATOM 1126 C LEU A 71 -2.783 -4.925 0.257 1.00 61.25 C ATOM 1127 O LEU A 71 -1.712 -5.403 -0.113 1.00 13.13 O ATOM 1128 CB LEU A 71 -3.463 -2.457 -0.100 1.00 41.34 C ATOM 1129 CG LEU A 71 -2.349 -1.545 -0.733 1.00 42.02 C ATOM 1130 CD1 LEU A 71 -2.455 -0.089 -0.213 1.00 63.54 C ATOM 1131 CD2 LEU A 71 -0.924 -2.103 -0.516 1.00 22.03 C ATOM 0 H LEU A 71 -5.590 -3.814 -0.016 1.00 61.11 H new ATOM 0 HA LEU A 71 -3.165 -3.940 -1.633 1.00 32.30 H new ATOM 0 HB2 LEU A 71 -4.426 -1.971 -0.258 1.00 41.34 H new ATOM 0 HB3 LEU A 71 -3.297 -2.492 0.977 1.00 41.34 H new ATOM 0 HG LEU A 71 -2.527 -1.543 -1.808 1.00 42.02 H new ATOM 0 HD11 LEU A 71 -1.672 0.518 -0.668 1.00 63.54 H new ATOM 0 HD12 LEU A 71 -3.430 0.321 -0.475 1.00 63.54 H new ATOM 0 HD13 LEU A 71 -2.337 -0.080 0.871 1.00 63.54 H new ATOM 0 HD21 LEU A 71 -0.197 -1.432 -0.974 1.00 22.03 H new ATOM 0 HD22 LEU A 71 -0.723 -2.181 0.552 1.00 22.03 H new ATOM 0 HD23 LEU A 71 -0.846 -3.089 -0.973 1.00 22.03 H new ATOM 1143 N ARG A 72 -3.398 -5.261 1.400 1.00 20.12 N ATOM 1144 CA ARG A 72 -2.874 -6.253 2.357 1.00 25.51 C ATOM 1145 C ARG A 72 -3.016 -7.679 1.773 1.00 74.15 C ATOM 1146 O ARG A 72 -2.253 -8.568 2.133 1.00 4.04 O ATOM 1147 CB ARG A 72 -3.608 -6.121 3.738 1.00 51.43 C ATOM 1148 CG ARG A 72 -3.141 -7.059 4.861 1.00 52.42 C ATOM 1149 CD ARG A 72 -4.109 -7.031 6.057 1.00 52.03 C ATOM 1150 NE ARG A 72 -3.643 -7.875 7.158 1.00 34.44 N ATOM 1151 CZ ARG A 72 -4.370 -8.210 8.230 1.00 52.52 C ATOM 1152 NH1 ARG A 72 -5.628 -7.791 8.369 1.00 73.30 N ATOM 1153 NH2 ARG A 72 -3.839 -9.003 9.138 1.00 12.24 N ATOM 0 H ARG A 72 -4.284 -4.848 1.692 1.00 20.12 H new ATOM 0 HA ARG A 72 -1.814 -6.062 2.527 1.00 25.51 H new ATOM 0 HB2 ARG A 72 -3.497 -5.094 4.085 1.00 51.43 H new ATOM 0 HB3 ARG A 72 -4.672 -6.289 3.575 1.00 51.43 H new ATOM 0 HG2 ARG A 72 -3.063 -8.077 4.478 1.00 52.42 H new ATOM 0 HG3 ARG A 72 -2.144 -6.766 5.191 1.00 52.42 H new ATOM 0 HD2 ARG A 72 -4.222 -6.005 6.409 1.00 52.03 H new ATOM 0 HD3 ARG A 72 -5.094 -7.367 5.734 1.00 52.03 H new ATOM 0 HE ARG A 72 -2.690 -8.236 7.104 1.00 34.44 H new ATOM 0 HH11 ARG A 72 -6.052 -7.204 7.651 1.00 73.30 H new ATOM 0 HH12 ARG A 72 -6.166 -8.057 9.194 1.00 73.30 H new ATOM 0 HH21 ARG A 72 -2.888 -9.351 9.017 1.00 12.24 H new ATOM 0 HH22 ARG A 72 -4.379 -9.269 9.962 1.00 12.24 H new ATOM 1167 N LYS A 73 -3.969 -7.884 0.820 1.00 34.53 N ATOM 1168 CA LYS A 73 -4.195 -9.201 0.185 1.00 51.34 C ATOM 1169 C LYS A 73 -3.084 -9.438 -0.848 1.00 54.20 C ATOM 1170 O LYS A 73 -2.684 -10.577 -1.086 1.00 41.34 O ATOM 1171 CB LYS A 73 -5.635 -9.273 -0.452 1.00 2.03 C ATOM 1172 CG LYS A 73 -6.232 -10.686 -0.645 1.00 61.22 C ATOM 1173 CD LYS A 73 -5.730 -11.411 -1.912 1.00 65.32 C ATOM 1174 CE LYS A 73 -6.184 -12.872 -1.958 1.00 72.10 C ATOM 1175 NZ LYS A 73 -7.659 -13.019 -1.905 1.00 35.24 N ATOM 0 H LYS A 73 -4.589 -7.149 0.480 1.00 34.53 H new ATOM 0 HA LYS A 73 -4.152 -9.995 0.930 1.00 51.34 H new ATOM 0 HB2 LYS A 73 -6.315 -8.698 0.176 1.00 2.03 H new ATOM 0 HB3 LYS A 73 -5.604 -8.780 -1.424 1.00 2.03 H new ATOM 0 HG2 LYS A 73 -5.992 -11.293 0.228 1.00 61.22 H new ATOM 0 HG3 LYS A 73 -7.318 -10.607 -0.690 1.00 61.22 H new ATOM 0 HD2 LYS A 73 -6.097 -10.890 -2.796 1.00 65.32 H new ATOM 0 HD3 LYS A 73 -4.641 -11.369 -1.946 1.00 65.32 H new ATOM 0 HE2 LYS A 73 -5.810 -13.335 -2.871 1.00 72.10 H new ATOM 0 HE3 LYS A 73 -5.740 -13.412 -1.122 1.00 72.10 H new ATOM 0 HZ1 LYS A 73 -7.912 -14.023 -2.007 1.00 35.24 H new ATOM 0 HZ2 LYS A 73 -8.011 -12.665 -0.993 1.00 35.24 H new ATOM 0 HZ3 LYS A 73 -8.090 -12.473 -2.678 1.00 35.24 H new ATOM 1189 N ALA A 74 -2.583 -8.336 -1.437 1.00 52.01 N ATOM 1190 CA ALA A 74 -1.443 -8.368 -2.353 1.00 12.41 C ATOM 1191 C ALA A 74 -0.111 -8.502 -1.573 1.00 41.24 C ATOM 1192 O ALA A 74 0.750 -9.302 -1.961 1.00 33.41 O ATOM 1193 CB ALA A 74 -1.445 -7.110 -3.251 1.00 11.22 C ATOM 0 H ALA A 74 -2.962 -7.401 -1.287 1.00 52.01 H new ATOM 0 HA ALA A 74 -1.535 -9.244 -2.995 1.00 12.41 H new ATOM 0 HB1 ALA A 74 -0.592 -7.145 -3.928 1.00 11.22 H new ATOM 0 HB2 ALA A 74 -2.368 -7.078 -3.831 1.00 11.22 H new ATOM 0 HB3 ALA A 74 -1.377 -6.218 -2.628 1.00 11.22 H new ATOM 1199 N LEU A 75 0.045 -7.759 -0.446 1.00 42.20 N ATOM 1200 CA LEU A 75 1.357 -7.659 0.253 1.00 51.54 C ATOM 1201 C LEU A 75 1.610 -8.775 1.287 1.00 33.44 C ATOM 1202 O LEU A 75 2.775 -9.104 1.529 1.00 0.43 O ATOM 1203 CB LEU A 75 1.594 -6.256 0.920 1.00 54.11 C ATOM 1204 CG LEU A 75 1.499 -4.950 0.033 1.00 63.14 C ATOM 1205 CD1 LEU A 75 2.108 -3.728 0.773 1.00 73.53 C ATOM 1206 CD2 LEU A 75 2.106 -5.104 -1.391 1.00 43.42 C ATOM 0 H LEU A 75 -0.707 -7.228 -0.007 1.00 42.20 H new ATOM 0 HA LEU A 75 2.083 -7.790 -0.550 1.00 51.54 H new ATOM 0 HB2 LEU A 75 0.874 -6.154 1.732 1.00 54.11 H new ATOM 0 HB3 LEU A 75 2.585 -6.272 1.373 1.00 54.11 H new ATOM 0 HG LEU A 75 0.434 -4.776 -0.121 1.00 63.14 H new ATOM 0 HD11 LEU A 75 2.030 -2.844 0.141 1.00 73.53 H new ATOM 0 HD12 LEU A 75 1.565 -3.558 1.703 1.00 73.53 H new ATOM 0 HD13 LEU A 75 3.157 -3.923 0.995 1.00 73.53 H new ATOM 0 HD21 LEU A 75 2.001 -4.165 -1.935 1.00 43.42 H new ATOM 0 HD22 LEU A 75 3.162 -5.361 -1.310 1.00 43.42 H new ATOM 0 HD23 LEU A 75 1.581 -5.894 -1.927 1.00 43.42 H new ATOM 1218 N THR A 76 0.552 -9.357 1.895 1.00 72.02 N ATOM 1219 CA THR A 76 0.731 -10.434 2.905 1.00 50.04 C ATOM 1220 C THR A 76 1.448 -11.695 2.312 1.00 75.11 C ATOM 1221 O THR A 76 2.442 -12.119 2.899 1.00 50.42 O ATOM 1222 CB THR A 76 -0.599 -10.828 3.664 1.00 11.51 C ATOM 1223 OG1 THR A 76 -1.047 -9.721 4.450 1.00 61.51 O ATOM 1224 CG2 THR A 76 -0.430 -12.056 4.584 1.00 51.02 C ATOM 0 H THR A 76 -0.420 -9.108 1.711 1.00 72.02 H new ATOM 0 HA THR A 76 1.389 -10.003 3.659 1.00 50.04 H new ATOM 0 HB THR A 76 -1.331 -11.090 2.900 1.00 11.51 H new ATOM 0 HG1 THR A 76 -1.411 -9.028 3.861 1.00 61.51 H new ATOM 0 HG21 THR A 76 -1.378 -12.275 5.076 1.00 51.02 H new ATOM 0 HG22 THR A 76 -0.122 -12.916 3.990 1.00 51.02 H new ATOM 0 HG23 THR A 76 0.329 -11.845 5.337 1.00 51.02 H new ATOM 1232 N PRO A 77 1.020 -12.299 1.129 1.00 73.23 N ATOM 1233 CA PRO A 77 1.724 -13.488 0.567 1.00 44.21 C ATOM 1234 C PRO A 77 3.190 -13.193 0.167 1.00 52.02 C ATOM 1235 O PRO A 77 4.062 -14.057 0.315 1.00 22.43 O ATOM 1236 CB PRO A 77 0.877 -13.887 -0.676 1.00 54.12 C ATOM 1237 CG PRO A 77 -0.438 -13.199 -0.487 1.00 3.32 C ATOM 1238 CD PRO A 77 -0.130 -11.920 0.256 1.00 21.42 C ATOM 0 HA PRO A 77 1.799 -14.284 1.308 1.00 44.21 H new ATOM 0 HB2 PRO A 77 1.359 -13.569 -1.600 1.00 54.12 H new ATOM 0 HB3 PRO A 77 0.751 -14.968 -0.737 1.00 54.12 H new ATOM 0 HG2 PRO A 77 -0.911 -12.990 -1.446 1.00 3.32 H new ATOM 0 HG3 PRO A 77 -1.128 -13.824 0.080 1.00 3.32 H new ATOM 0 HD2 PRO A 77 0.132 -11.111 -0.426 1.00 21.42 H new ATOM 0 HD3 PRO A 77 -0.984 -11.579 0.841 1.00 21.42 H new ATOM 1246 N LEU A 78 3.448 -11.958 -0.325 1.00 61.20 N ATOM 1247 CA LEU A 78 4.813 -11.535 -0.740 1.00 65.05 C ATOM 1248 C LEU A 78 5.714 -11.305 0.495 1.00 75.14 C ATOM 1249 O LEU A 78 6.930 -11.515 0.428 1.00 61.22 O ATOM 1250 CB LEU A 78 4.809 -10.233 -1.624 1.00 61.05 C ATOM 1251 CG LEU A 78 3.839 -10.199 -2.875 1.00 70.33 C ATOM 1252 CD1 LEU A 78 3.868 -8.824 -3.601 1.00 70.02 C ATOM 1253 CD2 LEU A 78 4.112 -11.338 -3.897 1.00 32.43 C ATOM 0 H LEU A 78 2.735 -11.238 -0.445 1.00 61.20 H new ATOM 0 HA LEU A 78 5.209 -12.349 -1.347 1.00 65.05 H new ATOM 0 HB2 LEU A 78 4.556 -9.391 -0.980 1.00 61.05 H new ATOM 0 HB3 LEU A 78 5.825 -10.067 -1.982 1.00 61.05 H new ATOM 0 HG LEU A 78 2.843 -10.359 -2.462 1.00 70.33 H new ATOM 0 HD11 LEU A 78 3.188 -8.848 -4.452 1.00 70.02 H new ATOM 0 HD12 LEU A 78 3.557 -8.041 -2.910 1.00 70.02 H new ATOM 0 HD13 LEU A 78 4.880 -8.619 -3.951 1.00 70.02 H new ATOM 0 HD21 LEU A 78 3.412 -11.256 -4.729 1.00 32.43 H new ATOM 0 HD22 LEU A 78 5.132 -11.254 -4.271 1.00 32.43 H new ATOM 0 HD23 LEU A 78 3.983 -12.304 -3.409 1.00 32.43 H new ATOM 1265 N ALA A 79 5.094 -10.858 1.602 1.00 5.13 N ATOM 1266 CA ALA A 79 5.780 -10.647 2.889 1.00 12.23 C ATOM 1267 C ALA A 79 6.221 -11.999 3.480 1.00 21.20 C ATOM 1268 O ALA A 79 7.378 -12.169 3.873 1.00 4.41 O ATOM 1269 CB ALA A 79 4.859 -9.902 3.869 1.00 71.13 C ATOM 0 H ALA A 79 4.100 -10.632 1.629 1.00 5.13 H new ATOM 0 HA ALA A 79 6.667 -10.036 2.721 1.00 12.23 H new ATOM 0 HB1 ALA A 79 5.379 -9.753 4.815 1.00 71.13 H new ATOM 0 HB2 ALA A 79 4.587 -8.934 3.448 1.00 71.13 H new ATOM 0 HB3 ALA A 79 3.957 -10.490 4.039 1.00 71.13 H new ATOM 1275 N ILE A 80 5.284 -12.963 3.469 1.00 22.04 N ATOM 1276 CA ILE A 80 5.497 -14.329 3.999 1.00 14.25 C ATOM 1277 C ILE A 80 6.531 -15.091 3.138 1.00 11.10 C ATOM 1278 O ILE A 80 7.346 -15.852 3.667 1.00 44.54 O ATOM 1279 CB ILE A 80 4.112 -15.103 4.093 1.00 0.52 C ATOM 1280 CG1 ILE A 80 3.131 -14.325 5.052 1.00 51.41 C ATOM 1281 CG2 ILE A 80 4.290 -16.585 4.530 1.00 64.21 C ATOM 1282 CD1 ILE A 80 1.771 -14.962 5.245 1.00 55.51 C ATOM 0 H ILE A 80 4.348 -12.819 3.090 1.00 22.04 H new ATOM 0 HA ILE A 80 5.905 -14.262 5.007 1.00 14.25 H new ATOM 0 HB ILE A 80 3.675 -15.136 3.095 1.00 0.52 H new ATOM 0 HG12 ILE A 80 3.608 -14.223 6.027 1.00 51.41 H new ATOM 0 HG13 ILE A 80 2.989 -13.318 4.660 1.00 51.41 H new ATOM 0 HG21 ILE A 80 3.315 -17.070 4.579 1.00 64.21 H new ATOM 0 HG22 ILE A 80 4.918 -17.105 3.806 1.00 64.21 H new ATOM 0 HG23 ILE A 80 4.763 -16.621 5.512 1.00 64.21 H new ATOM 0 HD11 ILE A 80 1.175 -14.349 5.921 1.00 55.51 H new ATOM 0 HD12 ILE A 80 1.265 -15.038 4.283 1.00 55.51 H new ATOM 0 HD13 ILE A 80 1.893 -15.958 5.671 1.00 55.51 H new ATOM 1294 N ASN A 81 6.523 -14.837 1.812 1.00 51.52 N ATOM 1295 CA ASN A 81 7.555 -15.368 0.889 1.00 44.42 C ATOM 1296 C ASN A 81 8.834 -14.514 0.915 1.00 51.31 C ATOM 1297 O ASN A 81 9.824 -14.870 0.262 1.00 23.34 O ATOM 1298 CB ASN A 81 7.012 -15.503 -0.560 1.00 33.12 C ATOM 1299 CG ASN A 81 5.943 -16.591 -0.696 1.00 44.32 C ATOM 1300 OD1 ASN A 81 5.840 -17.496 0.133 1.00 32.53 O ATOM 1301 ND2 ASN A 81 5.177 -16.547 -1.766 1.00 14.43 N ATOM 0 H ASN A 81 5.813 -14.266 1.354 1.00 51.52 H new ATOM 0 HA ASN A 81 7.813 -16.366 1.243 1.00 44.42 H new ATOM 0 HB2 ASN A 81 6.593 -14.548 -0.876 1.00 33.12 H new ATOM 0 HB3 ASN A 81 7.839 -15.727 -1.233 1.00 33.12 H new ATOM 0 HD21 ASN A 81 4.478 -17.273 -1.923 1.00 14.43 H new ATOM 0 HD22 ASN A 81 5.282 -15.787 -2.438 1.00 14.43 H new ATOM 1308 N ARG A 82 8.787 -13.369 1.646 1.00 4.21 N ATOM 1309 CA ARG A 82 9.997 -12.599 2.058 1.00 52.34 C ATOM 1310 C ARG A 82 10.704 -12.011 0.809 1.00 12.22 C ATOM 1311 O ARG A 82 11.939 -12.062 0.691 1.00 21.40 O ATOM 1312 CB ARG A 82 11.023 -13.493 2.905 1.00 20.12 C ATOM 1313 CG ARG A 82 10.473 -14.465 4.027 1.00 52.12 C ATOM 1314 CD ARG A 82 10.496 -13.971 5.509 1.00 13.42 C ATOM 1315 NE ARG A 82 9.899 -14.993 6.390 1.00 55.24 N ATOM 1316 CZ ARG A 82 9.441 -14.792 7.638 1.00 30.30 C ATOM 1317 NH1 ARG A 82 9.496 -13.591 8.212 1.00 74.33 N ATOM 1318 NH2 ARG A 82 8.899 -15.805 8.296 1.00 62.41 N ATOM 0 H ARG A 82 7.913 -12.953 1.967 1.00 4.21 H new ATOM 0 HA ARG A 82 9.664 -11.787 2.704 1.00 52.34 H new ATOM 0 HB2 ARG A 82 11.588 -14.099 2.197 1.00 20.12 H new ATOM 0 HB3 ARG A 82 11.731 -12.814 3.380 1.00 20.12 H new ATOM 0 HG2 ARG A 82 9.442 -14.714 3.775 1.00 52.12 H new ATOM 0 HG3 ARG A 82 11.046 -15.391 3.976 1.00 52.12 H new ATOM 0 HD2 ARG A 82 11.521 -13.767 5.817 1.00 13.42 H new ATOM 0 HD3 ARG A 82 9.944 -13.035 5.598 1.00 13.42 H new ATOM 0 HE ARG A 82 9.827 -15.940 6.018 1.00 55.24 H new ATOM 0 HH11 ARG A 82 9.892 -12.800 7.703 1.00 74.33 H new ATOM 0 HH12 ARG A 82 9.142 -13.462 9.160 1.00 74.33 H new ATOM 0 HH21 ARG A 82 8.833 -16.723 7.855 1.00 62.41 H new ATOM 0 HH22 ARG A 82 8.547 -15.668 9.244 1.00 62.41 H new ATOM 1332 N THR A 83 9.914 -11.432 -0.118 1.00 72.23 N ATOM 1333 CA THR A 83 10.449 -10.880 -1.382 1.00 35.22 C ATOM 1334 C THR A 83 10.038 -9.405 -1.589 1.00 42.23 C ATOM 1335 O THR A 83 10.437 -8.785 -2.578 1.00 74.32 O ATOM 1336 CB THR A 83 10.008 -11.776 -2.603 1.00 13.23 C ATOM 1337 OG1 THR A 83 10.960 -11.660 -3.674 1.00 51.12 O ATOM 1338 CG2 THR A 83 8.614 -11.417 -3.140 1.00 33.45 C ATOM 0 H THR A 83 8.904 -11.334 -0.016 1.00 72.23 H new ATOM 0 HA THR A 83 11.537 -10.896 -1.318 1.00 35.22 H new ATOM 0 HB THR A 83 9.968 -12.800 -2.231 1.00 13.23 H new ATOM 0 HG1 THR A 83 10.677 -12.221 -4.426 1.00 51.12 H new ATOM 0 HG21 THR A 83 8.368 -12.068 -3.979 1.00 33.45 H new ATOM 0 HG22 THR A 83 7.875 -11.548 -2.350 1.00 33.45 H new ATOM 0 HG23 THR A 83 8.609 -10.379 -3.473 1.00 33.45 H new ATOM 1346 N LEU A 84 9.244 -8.844 -0.654 1.00 42.55 N ATOM 1347 CA LEU A 84 8.852 -7.417 -0.682 1.00 31.25 C ATOM 1348 C LEU A 84 10.086 -6.575 -0.285 1.00 12.22 C ATOM 1349 O LEU A 84 10.776 -6.929 0.667 1.00 32.31 O ATOM 1350 CB LEU A 84 7.627 -7.196 0.270 1.00 74.22 C ATOM 1351 CG LEU A 84 6.857 -5.812 0.175 1.00 73.11 C ATOM 1352 CD1 LEU A 84 5.366 -5.987 0.543 1.00 42.25 C ATOM 1353 CD2 LEU A 84 7.486 -4.702 1.054 1.00 63.24 C ATOM 0 H LEU A 84 8.858 -9.361 0.136 1.00 42.55 H new ATOM 0 HA LEU A 84 8.535 -7.104 -1.677 1.00 31.25 H new ATOM 0 HB2 LEU A 84 6.908 -7.993 0.081 1.00 74.22 H new ATOM 0 HB3 LEU A 84 7.974 -7.316 1.296 1.00 74.22 H new ATOM 0 HG LEU A 84 6.945 -5.489 -0.862 1.00 73.11 H new ATOM 0 HD11 LEU A 84 4.858 -5.025 0.471 1.00 42.25 H new ATOM 0 HD12 LEU A 84 4.902 -6.695 -0.144 1.00 42.25 H new ATOM 0 HD13 LEU A 84 5.285 -6.365 1.562 1.00 42.25 H new ATOM 0 HD21 LEU A 84 6.912 -3.782 0.944 1.00 63.24 H new ATOM 0 HD22 LEU A 84 7.474 -5.014 2.098 1.00 63.24 H new ATOM 0 HD23 LEU A 84 8.515 -4.528 0.739 1.00 63.24 H new ATOM 1365 N ASN A 85 10.352 -5.464 -1.018 1.00 4.44 N ATOM 1366 CA ASN A 85 11.638 -4.675 -0.888 1.00 72.32 C ATOM 1367 C ASN A 85 11.919 -4.239 0.586 1.00 10.33 C ATOM 1368 O ASN A 85 13.076 -3.994 0.957 1.00 50.42 O ATOM 1369 CB ASN A 85 11.688 -3.422 -1.836 1.00 55.45 C ATOM 1370 CG ASN A 85 13.059 -2.711 -1.851 1.00 73.02 C ATOM 1371 OD1 ASN A 85 14.105 -3.346 -1.738 1.00 31.11 O ATOM 1372 ND2 ASN A 85 13.068 -1.396 -1.987 1.00 74.12 N ATOM 0 H ASN A 85 9.705 -5.082 -1.708 1.00 4.44 H new ATOM 0 HA ASN A 85 12.425 -5.360 -1.202 1.00 72.32 H new ATOM 0 HB2 ASN A 85 11.439 -3.734 -2.850 1.00 55.45 H new ATOM 0 HB3 ASN A 85 10.923 -2.711 -1.525 1.00 55.45 H new ATOM 0 HD21 ASN A 85 13.954 -0.891 -2.000 1.00 74.12 H new ATOM 0 HD22 ASN A 85 12.189 -0.887 -2.079 1.00 74.12 H new ATOM 1379 N HIS A 86 10.837 -4.116 1.398 1.00 53.23 N ATOM 1380 CA HIS A 86 10.894 -3.922 2.879 1.00 73.21 C ATOM 1381 C HIS A 86 11.291 -2.474 3.266 1.00 21.22 C ATOM 1382 O HIS A 86 11.259 -2.105 4.448 1.00 11.23 O ATOM 1383 CB HIS A 86 11.820 -5.010 3.538 1.00 71.50 C ATOM 1384 CG HIS A 86 11.911 -5.003 5.051 1.00 40.32 C ATOM 1385 ND1 HIS A 86 11.022 -5.666 5.871 1.00 0.25 N ATOM 1386 CD2 HIS A 86 12.819 -4.433 5.890 1.00 70.13 C ATOM 1387 CE1 HIS A 86 11.379 -5.507 7.133 1.00 15.41 C ATOM 1388 NE2 HIS A 86 12.462 -4.764 7.169 1.00 61.11 N ATOM 0 H HIS A 86 9.882 -4.149 1.040 1.00 53.23 H new ATOM 0 HA HIS A 86 9.890 -4.062 3.280 1.00 73.21 H new ATOM 0 HB2 HIS A 86 11.467 -5.992 3.223 1.00 71.50 H new ATOM 0 HB3 HIS A 86 12.826 -4.889 3.136 1.00 71.50 H new ATOM 0 HD2 HIS A 86 13.666 -3.830 5.599 1.00 70.13 H new ATOM 0 HE1 HIS A 86 10.867 -5.918 7.990 1.00 15.41 H new ATOM 0 HE2 HIS A 86 12.957 -4.480 8.014 1.00 61.11 H new ATOM 1397 N ASP A 87 11.596 -1.635 2.257 1.00 41.03 N ATOM 1398 CA ASP A 87 11.999 -0.223 2.479 1.00 65.51 C ATOM 1399 C ASP A 87 10.775 0.667 2.867 1.00 54.32 C ATOM 1400 O ASP A 87 10.950 1.797 3.323 1.00 24.12 O ATOM 1401 CB ASP A 87 12.798 0.320 1.238 1.00 63.13 C ATOM 1402 CG ASP A 87 13.324 1.756 1.423 1.00 73.33 C ATOM 1403 OD1 ASP A 87 14.349 1.927 2.113 1.00 33.55 O ATOM 1404 OD2 ASP A 87 12.723 2.720 0.882 1.00 61.31 O ATOM 0 H ASP A 87 11.572 -1.908 1.274 1.00 41.03 H new ATOM 0 HA ASP A 87 12.675 -0.179 3.333 1.00 65.51 H new ATOM 0 HB2 ASP A 87 13.640 -0.344 1.040 1.00 63.13 H new ATOM 0 HB3 ASP A 87 12.154 0.288 0.359 1.00 63.13 H new ATOM 1409 N LEU A 88 9.534 0.132 2.714 1.00 42.35 N ATOM 1410 CA LEU A 88 8.300 0.772 3.213 1.00 71.32 C ATOM 1411 C LEU A 88 7.504 -0.247 4.044 1.00 23.31 C ATOM 1412 O LEU A 88 6.266 -0.248 4.036 1.00 52.04 O ATOM 1413 CB LEU A 88 7.416 1.368 2.076 1.00 63.32 C ATOM 1414 CG LEU A 88 7.089 0.433 0.858 1.00 51.42 C ATOM 1415 CD1 LEU A 88 5.675 0.715 0.302 1.00 12.23 C ATOM 1416 CD2 LEU A 88 8.148 0.606 -0.254 1.00 13.40 C ATOM 0 H LEU A 88 9.368 -0.756 2.240 1.00 42.35 H new ATOM 0 HA LEU A 88 8.595 1.616 3.836 1.00 71.32 H new ATOM 0 HB2 LEU A 88 6.473 1.692 2.516 1.00 63.32 H new ATOM 0 HB3 LEU A 88 7.913 2.260 1.694 1.00 63.32 H new ATOM 0 HG LEU A 88 7.114 -0.598 1.210 1.00 51.42 H new ATOM 0 HD11 LEU A 88 5.477 0.053 -0.541 1.00 12.23 H new ATOM 0 HD12 LEU A 88 4.935 0.540 1.083 1.00 12.23 H new ATOM 0 HD13 LEU A 88 5.614 1.752 -0.029 1.00 12.23 H new ATOM 0 HD21 LEU A 88 7.907 -0.049 -1.091 1.00 13.40 H new ATOM 0 HD22 LEU A 88 8.153 1.642 -0.593 1.00 13.40 H new ATOM 0 HD23 LEU A 88 9.132 0.347 0.137 1.00 13.40 H new ATOM 1428 N SER A 89 8.223 -1.079 4.811 1.00 11.33 N ATOM 1429 CA SER A 89 7.610 -2.141 5.631 1.00 13.32 C ATOM 1430 C SER A 89 6.736 -1.548 6.764 1.00 72.35 C ATOM 1431 O SER A 89 5.870 -2.235 7.307 1.00 21.20 O ATOM 1432 CB SER A 89 8.698 -3.072 6.206 1.00 72.42 C ATOM 1433 OG SER A 89 8.152 -4.324 6.612 1.00 72.33 O ATOM 0 H SER A 89 9.240 -1.038 4.882 1.00 11.33 H new ATOM 0 HA SER A 89 6.956 -2.728 4.986 1.00 13.32 H new ATOM 0 HB2 SER A 89 9.471 -3.237 5.455 1.00 72.42 H new ATOM 0 HB3 SER A 89 9.178 -2.590 7.057 1.00 72.42 H new ATOM 0 HG SER A 89 8.811 -5.033 6.459 1.00 72.33 H new ATOM 1439 N GLU A 90 6.971 -0.253 7.075 1.00 1.43 N ATOM 1440 CA GLU A 90 6.196 0.508 8.077 1.00 61.21 C ATOM 1441 C GLU A 90 4.764 0.791 7.571 1.00 51.35 C ATOM 1442 O GLU A 90 3.871 1.004 8.378 1.00 22.20 O ATOM 1443 CB GLU A 90 6.906 1.853 8.437 1.00 13.22 C ATOM 1444 CG GLU A 90 8.262 1.744 9.187 1.00 32.52 C ATOM 1445 CD GLU A 90 8.897 3.118 9.436 1.00 30.25 C ATOM 1446 OE1 GLU A 90 8.638 3.723 10.503 1.00 0.14 O ATOM 1447 OE2 GLU A 90 9.623 3.616 8.550 1.00 44.12 O ATOM 0 H GLU A 90 7.709 0.296 6.634 1.00 1.43 H new ATOM 0 HA GLU A 90 6.136 -0.105 8.976 1.00 61.21 H new ATOM 0 HB2 GLU A 90 7.071 2.409 7.514 1.00 13.22 H new ATOM 0 HB3 GLU A 90 6.225 2.445 9.048 1.00 13.22 H new ATOM 0 HG2 GLU A 90 8.109 1.238 10.140 1.00 32.52 H new ATOM 0 HG3 GLU A 90 8.948 1.128 8.606 1.00 32.52 H new ATOM 1454 N LEU A 91 4.571 0.824 6.235 1.00 24.23 N ATOM 1455 CA LEU A 91 3.227 0.963 5.618 1.00 3.42 C ATOM 1456 C LEU A 91 2.431 -0.335 5.882 1.00 72.14 C ATOM 1457 O LEU A 91 1.256 -0.301 6.303 1.00 55.31 O ATOM 1458 CB LEU A 91 3.357 1.255 4.076 1.00 24.34 C ATOM 1459 CG LEU A 91 2.232 2.124 3.396 1.00 50.50 C ATOM 1460 CD1 LEU A 91 2.587 2.423 1.920 1.00 43.15 C ATOM 1461 CD2 LEU A 91 0.824 1.497 3.513 1.00 1.23 C ATOM 0 H LEU A 91 5.330 0.756 5.557 1.00 24.23 H new ATOM 0 HA LEU A 91 2.695 1.805 6.060 1.00 3.42 H new ATOM 0 HB2 LEU A 91 4.312 1.753 3.909 1.00 24.34 H new ATOM 0 HB3 LEU A 91 3.401 0.298 3.556 1.00 24.34 H new ATOM 0 HG LEU A 91 2.192 3.064 3.946 1.00 50.50 H new ATOM 0 HD11 LEU A 91 1.797 3.024 1.470 1.00 43.15 H new ATOM 0 HD12 LEU A 91 3.529 2.970 1.876 1.00 43.15 H new ATOM 0 HD13 LEU A 91 2.686 1.486 1.373 1.00 43.15 H new ATOM 0 HD21 LEU A 91 0.096 2.145 3.025 1.00 1.23 H new ATOM 0 HD22 LEU A 91 0.820 0.519 3.032 1.00 1.23 H new ATOM 0 HD23 LEU A 91 0.562 1.385 4.565 1.00 1.23 H new ATOM 1473 N TYR A 92 3.117 -1.478 5.668 1.00 1.43 N ATOM 1474 CA TYR A 92 2.534 -2.806 5.866 1.00 43.44 C ATOM 1475 C TYR A 92 2.207 -3.028 7.365 1.00 3.42 C ATOM 1476 O TYR A 92 1.174 -3.622 7.711 1.00 32.04 O ATOM 1477 CB TYR A 92 3.479 -3.914 5.332 1.00 73.30 C ATOM 1478 CG TYR A 92 2.921 -5.341 5.485 1.00 44.24 C ATOM 1479 CD1 TYR A 92 3.664 -6.346 6.101 1.00 2.44 C ATOM 1480 CD2 TYR A 92 1.636 -5.675 5.027 1.00 73.40 C ATOM 1481 CE1 TYR A 92 3.157 -7.619 6.254 1.00 52.21 C ATOM 1482 CE2 TYR A 92 1.130 -6.945 5.179 1.00 31.01 C ATOM 1483 CZ TYR A 92 1.893 -7.915 5.790 1.00 22.30 C ATOM 1484 OH TYR A 92 1.389 -9.187 5.942 1.00 12.54 O ATOM 0 H TYR A 92 4.087 -1.498 5.354 1.00 1.43 H new ATOM 0 HA TYR A 92 1.606 -2.864 5.298 1.00 43.44 H new ATOM 0 HB2 TYR A 92 3.683 -3.726 4.278 1.00 73.30 H new ATOM 0 HB3 TYR A 92 4.432 -3.849 5.858 1.00 73.30 H new ATOM 0 HD1 TYR A 92 4.656 -6.124 6.466 1.00 2.44 H new ATOM 0 HD2 TYR A 92 1.033 -4.919 4.546 1.00 73.40 H new ATOM 0 HE1 TYR A 92 3.749 -8.383 6.736 1.00 52.21 H new ATOM 0 HE2 TYR A 92 0.139 -7.180 4.821 1.00 31.01 H new ATOM 0 HH TYR A 92 0.528 -9.255 5.479 1.00 12.54 H new ATOM 1494 N LYS A 93 3.103 -2.513 8.237 1.00 13.11 N ATOM 1495 CA LYS A 93 2.940 -2.547 9.700 1.00 65.05 C ATOM 1496 C LYS A 93 1.765 -1.653 10.129 1.00 3.51 C ATOM 1497 O LYS A 93 0.981 -2.025 11.000 1.00 33.35 O ATOM 1498 CB LYS A 93 4.253 -2.087 10.401 1.00 34.13 C ATOM 1499 CG LYS A 93 4.165 -2.025 11.947 1.00 13.34 C ATOM 1500 CD LYS A 93 5.438 -1.440 12.608 1.00 1.34 C ATOM 1501 CE LYS A 93 5.272 -1.254 14.129 1.00 53.22 C ATOM 1502 NZ LYS A 93 6.459 -0.605 14.749 1.00 33.13 N ATOM 0 H LYS A 93 3.966 -2.059 7.938 1.00 13.11 H new ATOM 0 HA LYS A 93 2.724 -3.572 10.001 1.00 65.05 H new ATOM 0 HB2 LYS A 93 5.057 -2.768 10.122 1.00 34.13 H new ATOM 0 HB3 LYS A 93 4.525 -1.101 10.025 1.00 34.13 H new ATOM 0 HG2 LYS A 93 3.305 -1.419 12.231 1.00 13.34 H new ATOM 0 HG3 LYS A 93 3.990 -3.029 12.335 1.00 13.34 H new ATOM 0 HD2 LYS A 93 6.282 -2.102 12.415 1.00 1.34 H new ATOM 0 HD3 LYS A 93 5.674 -0.480 12.150 1.00 1.34 H new ATOM 0 HE2 LYS A 93 4.386 -0.650 14.325 1.00 53.22 H new ATOM 0 HE3 LYS A 93 5.105 -2.225 14.596 1.00 53.22 H new ATOM 0 HZ1 LYS A 93 6.303 -0.500 15.772 1.00 33.13 H new ATOM 0 HZ2 LYS A 93 7.301 -1.193 14.586 1.00 33.13 H new ATOM 0 HZ3 LYS A 93 6.604 0.333 14.323 1.00 33.13 H new ATOM 1516 N PHE A 94 1.652 -0.485 9.472 1.00 32.21 N ATOM 1517 CA PHE A 94 0.635 0.537 9.784 1.00 35.33 C ATOM 1518 C PHE A 94 -0.787 -0.036 9.619 1.00 61.23 C ATOM 1519 O PHE A 94 -1.595 0.001 10.567 1.00 4.43 O ATOM 1520 CB PHE A 94 0.867 1.787 8.886 1.00 12.10 C ATOM 1521 CG PHE A 94 -0.080 2.956 9.127 1.00 23.50 C ATOM 1522 CD1 PHE A 94 -1.117 3.240 8.236 1.00 15.34 C ATOM 1523 CD2 PHE A 94 0.067 3.772 10.248 1.00 61.13 C ATOM 1524 CE1 PHE A 94 -1.969 4.301 8.462 1.00 14.04 C ATOM 1525 CE2 PHE A 94 -0.791 4.830 10.471 1.00 63.41 C ATOM 1526 CZ PHE A 94 -1.806 5.095 9.580 1.00 21.31 C ATOM 0 H PHE A 94 2.268 -0.221 8.703 1.00 32.21 H new ATOM 0 HA PHE A 94 0.732 0.841 10.826 1.00 35.33 H new ATOM 0 HB2 PHE A 94 1.889 2.134 9.035 1.00 12.10 H new ATOM 0 HB3 PHE A 94 0.782 1.483 7.843 1.00 12.10 H new ATOM 0 HD1 PHE A 94 -1.253 2.622 7.361 1.00 15.34 H new ATOM 0 HD2 PHE A 94 0.863 3.574 10.951 1.00 61.13 H new ATOM 0 HE1 PHE A 94 -2.765 4.511 7.763 1.00 14.04 H new ATOM 0 HE2 PHE A 94 -0.666 5.451 11.346 1.00 63.41 H new ATOM 0 HZ PHE A 94 -2.475 5.924 9.755 1.00 21.31 H new ATOM 1536 N ILE A 95 -1.045 -0.663 8.446 1.00 62.00 N ATOM 1537 CA ILE A 95 -2.385 -1.223 8.108 1.00 5.53 C ATOM 1538 C ILE A 95 -2.710 -2.513 8.900 1.00 55.33 C ATOM 1539 O ILE A 95 -3.771 -3.091 8.699 1.00 32.43 O ATOM 1540 CB ILE A 95 -2.607 -1.436 6.552 1.00 44.11 C ATOM 1541 CG1 ILE A 95 -1.912 -2.740 6.003 1.00 22.45 C ATOM 1542 CG2 ILE A 95 -2.191 -0.169 5.776 1.00 2.23 C ATOM 1543 CD1 ILE A 95 -1.603 -2.751 4.503 1.00 61.12 C ATOM 0 H ILE A 95 -0.346 -0.796 7.715 1.00 62.00 H new ATOM 0 HA ILE A 95 -3.095 -0.458 8.422 1.00 5.53 H new ATOM 0 HB ILE A 95 -3.673 -1.597 6.389 1.00 44.11 H new ATOM 0 HG12 ILE A 95 -0.980 -2.889 6.548 1.00 22.45 H new ATOM 0 HG13 ILE A 95 -2.552 -3.593 6.229 1.00 22.45 H new ATOM 0 HG21 ILE A 95 -2.348 -0.328 4.709 1.00 2.23 H new ATOM 0 HG22 ILE A 95 -2.793 0.676 6.110 1.00 2.23 H new ATOM 0 HG23 ILE A 95 -1.137 0.041 5.960 1.00 2.23 H new ATOM 0 HD11 ILE A 95 -1.127 -3.694 4.237 1.00 61.12 H new ATOM 0 HD12 ILE A 95 -2.530 -2.641 3.940 1.00 61.12 H new ATOM 0 HD13 ILE A 95 -0.932 -1.926 4.264 1.00 61.12 H new ATOM 1555 N THR A 96 -1.784 -2.979 9.771 1.00 62.51 N ATOM 1556 CA THR A 96 -2.034 -4.121 10.683 1.00 64.13 C ATOM 1557 C THR A 96 -1.938 -3.703 12.171 1.00 12.44 C ATOM 1558 O THR A 96 -2.320 -4.480 13.048 1.00 20.44 O ATOM 1559 CB THR A 96 -1.040 -5.302 10.415 1.00 21.32 C ATOM 1560 OG1 THR A 96 0.288 -4.790 10.294 1.00 23.15 O ATOM 1561 CG2 THR A 96 -1.384 -6.105 9.152 1.00 41.00 C ATOM 0 H THR A 96 -0.850 -2.578 9.861 1.00 62.51 H new ATOM 0 HA THR A 96 -3.050 -4.457 10.478 1.00 64.13 H new ATOM 0 HB THR A 96 -1.122 -5.981 11.263 1.00 21.32 H new ATOM 0 HG1 THR A 96 0.429 -4.458 9.383 1.00 23.15 H new ATOM 0 HG21 THR A 96 -0.658 -6.908 9.022 1.00 41.00 H new ATOM 0 HG22 THR A 96 -2.382 -6.531 9.252 1.00 41.00 H new ATOM 0 HG23 THR A 96 -1.356 -5.447 8.284 1.00 41.00 H new ATOM 1569 N SER A 97 -1.441 -2.481 12.462 1.00 63.55 N ATOM 1570 CA SER A 97 -1.175 -2.050 13.853 1.00 34.14 C ATOM 1571 C SER A 97 -1.912 -0.741 14.190 1.00 74.22 C ATOM 1572 O SER A 97 -2.991 -0.784 14.796 1.00 63.30 O ATOM 1573 CB SER A 97 0.351 -1.925 14.106 1.00 3.14 C ATOM 1574 OG SER A 97 0.632 -1.628 15.463 1.00 50.45 O ATOM 0 H SER A 97 -1.217 -1.779 11.757 1.00 63.55 H new ATOM 0 HA SER A 97 -1.565 -2.817 14.522 1.00 34.14 H new ATOM 0 HB2 SER A 97 0.844 -2.856 13.827 1.00 3.14 H new ATOM 0 HB3 SER A 97 0.763 -1.143 13.469 1.00 3.14 H new ATOM 0 HG SER A 97 1.601 -1.558 15.589 1.00 50.45 H new ATOM 1580 N SER A 98 -1.338 0.416 13.772 1.00 24.10 N ATOM 1581 CA SER A 98 -1.829 1.747 14.173 1.00 73.42 C ATOM 1582 C SER A 98 -3.213 2.028 13.573 1.00 52.45 C ATOM 1583 O SER A 98 -3.331 2.211 12.363 1.00 41.44 O ATOM 1584 CB SER A 98 -0.822 2.841 13.747 1.00 12.12 C ATOM 1585 OG SER A 98 -1.243 4.141 14.157 1.00 62.33 O ATOM 0 H SER A 98 -0.528 0.446 13.152 1.00 24.10 H new ATOM 0 HA SER A 98 -1.924 1.761 15.259 1.00 73.42 H new ATOM 0 HB2 SER A 98 0.155 2.623 14.179 1.00 12.12 H new ATOM 0 HB3 SER A 98 -0.703 2.823 12.664 1.00 12.12 H new ATOM 0 HG SER A 98 -0.581 4.805 13.871 1.00 62.33 H new ATOM 1591 N LYS A 99 -4.247 1.991 14.447 1.00 13.40 N ATOM 1592 CA LYS A 99 -5.652 2.322 14.106 1.00 72.43 C ATOM 1593 C LYS A 99 -6.235 1.348 13.054 1.00 75.42 C ATOM 1594 O LYS A 99 -7.206 1.674 12.365 1.00 10.42 O ATOM 1595 CB LYS A 99 -5.783 3.807 13.637 1.00 12.45 C ATOM 1596 CG LYS A 99 -5.268 4.867 14.636 1.00 40.14 C ATOM 1597 CD LYS A 99 -6.059 4.893 15.963 1.00 1.42 C ATOM 1598 CE LYS A 99 -5.571 5.998 16.920 1.00 65.34 C ATOM 1599 NZ LYS A 99 -6.360 6.041 18.182 1.00 70.04 N ATOM 0 H LYS A 99 -4.127 1.726 15.425 1.00 13.40 H new ATOM 0 HA LYS A 99 -6.242 2.204 15.015 1.00 72.43 H new ATOM 0 HB2 LYS A 99 -5.240 3.923 12.699 1.00 12.45 H new ATOM 0 HB3 LYS A 99 -6.832 4.012 13.425 1.00 12.45 H new ATOM 0 HG2 LYS A 99 -4.217 4.673 14.851 1.00 40.14 H new ATOM 0 HG3 LYS A 99 -5.321 5.851 14.170 1.00 40.14 H new ATOM 0 HD2 LYS A 99 -7.117 5.044 15.749 1.00 1.42 H new ATOM 0 HD3 LYS A 99 -5.968 3.925 16.455 1.00 1.42 H new ATOM 0 HE2 LYS A 99 -4.520 5.833 17.157 1.00 65.34 H new ATOM 0 HE3 LYS A 99 -5.637 6.964 16.420 1.00 65.34 H new ATOM 0 HZ1 LYS A 99 -5.996 6.799 18.794 1.00 70.04 H new ATOM 0 HZ2 LYS A 99 -7.359 6.225 17.961 1.00 70.04 H new ATOM 0 HZ3 LYS A 99 -6.277 5.129 18.675 1.00 70.04 H new ATOM 1613 N ALA A 100 -5.679 0.127 12.992 1.00 73.33 N ATOM 1614 CA ALA A 100 -6.027 -0.855 11.957 1.00 74.42 C ATOM 1615 C ALA A 100 -6.099 -2.271 12.543 1.00 44.24 C ATOM 1616 O ALA A 100 -5.094 -2.818 13.010 1.00 13.52 O ATOM 1617 CB ALA A 100 -5.006 -0.792 10.823 1.00 11.21 C ATOM 0 H ALA A 100 -4.979 -0.204 13.656 1.00 73.33 H new ATOM 0 HA ALA A 100 -7.013 -0.610 11.562 1.00 74.42 H new ATOM 0 HB1 ALA A 100 -5.268 -1.522 10.057 1.00 11.21 H new ATOM 0 HB2 ALA A 100 -5.007 0.207 10.387 1.00 11.21 H new ATOM 0 HB3 ALA A 100 -4.014 -1.016 11.214 1.00 11.21 H new ATOM 1623 N SER A 101 -7.307 -2.846 12.498 1.00 11.43 N ATOM 1624 CA SER A 101 -7.585 -4.255 12.842 1.00 63.31 C ATOM 1625 C SER A 101 -8.407 -4.896 11.694 1.00 31.32 C ATOM 1626 O SER A 101 -8.765 -4.201 10.716 1.00 21.24 O ATOM 1627 CB SER A 101 -8.343 -4.331 14.179 1.00 14.11 C ATOM 1628 OG SER A 101 -7.689 -3.599 15.204 1.00 15.32 O ATOM 0 H SER A 101 -8.143 -2.335 12.215 1.00 11.43 H new ATOM 0 HA SER A 101 -6.651 -4.805 12.959 1.00 63.31 H new ATOM 0 HB2 SER A 101 -9.353 -3.944 14.045 1.00 14.11 H new ATOM 0 HB3 SER A 101 -8.439 -5.373 14.483 1.00 14.11 H new ATOM 0 HG SER A 101 -8.202 -3.671 16.036 1.00 15.32 H new ATOM 1634 N ASN A 102 -8.712 -6.201 11.825 1.00 34.31 N ATOM 1635 CA ASN A 102 -9.297 -7.036 10.746 1.00 42.45 C ATOM 1636 C ASN A 102 -10.639 -6.461 10.233 1.00 1.02 C ATOM 1637 O ASN A 102 -11.555 -6.229 11.026 1.00 45.43 O ATOM 1638 CB ASN A 102 -9.485 -8.492 11.265 1.00 71.11 C ATOM 1639 CG ASN A 102 -9.859 -9.509 10.183 1.00 13.12 C ATOM 1640 OD1 ASN A 102 -9.520 -9.356 9.009 1.00 62.02 O ATOM 1641 ND2 ASN A 102 -10.537 -10.575 10.582 1.00 11.10 N ATOM 0 H ASN A 102 -8.559 -6.716 12.692 1.00 34.31 H new ATOM 0 HA ASN A 102 -8.608 -7.035 9.901 1.00 42.45 H new ATOM 0 HB2 ASN A 102 -8.561 -8.815 11.746 1.00 71.11 H new ATOM 0 HB3 ASN A 102 -10.260 -8.494 12.031 1.00 71.11 H new ATOM 0 HD21 ASN A 102 -10.793 -11.298 9.909 1.00 11.10 H new ATOM 0 HD22 ASN A 102 -10.803 -10.673 11.562 1.00 11.10 H new ATOM 1648 N LYS A 103 -10.697 -6.211 8.902 1.00 61.41 N ATOM 1649 CA LYS A 103 -11.882 -5.696 8.178 1.00 1.44 C ATOM 1650 C LYS A 103 -12.276 -4.271 8.632 1.00 1.22 C ATOM 1651 O LYS A 103 -11.792 -3.283 8.075 1.00 20.32 O ATOM 1652 CB LYS A 103 -13.102 -6.678 8.255 1.00 34.11 C ATOM 1653 CG LYS A 103 -12.824 -8.106 7.748 1.00 61.11 C ATOM 1654 CD LYS A 103 -12.289 -8.147 6.298 1.00 31.52 C ATOM 1655 CE LYS A 103 -11.938 -9.572 5.853 1.00 71.43 C ATOM 1656 NZ LYS A 103 -11.016 -10.243 6.807 1.00 74.11 N ATOM 0 H LYS A 103 -9.898 -6.367 8.287 1.00 61.41 H new ATOM 0 HA LYS A 103 -11.589 -5.630 7.130 1.00 1.44 H new ATOM 0 HB2 LYS A 103 -13.437 -6.736 9.290 1.00 34.11 H new ATOM 0 HB3 LYS A 103 -13.924 -6.257 7.676 1.00 34.11 H new ATOM 0 HG2 LYS A 103 -12.101 -8.584 8.408 1.00 61.11 H new ATOM 0 HG3 LYS A 103 -13.743 -8.690 7.806 1.00 61.11 H new ATOM 0 HD2 LYS A 103 -13.038 -7.731 5.624 1.00 31.52 H new ATOM 0 HD3 LYS A 103 -11.404 -7.515 6.220 1.00 31.52 H new ATOM 0 HE2 LYS A 103 -12.852 -10.158 5.760 1.00 71.43 H new ATOM 0 HE3 LYS A 103 -11.478 -9.540 4.866 1.00 71.43 H new ATOM 0 HZ1 LYS A 103 -10.144 -10.517 6.312 1.00 74.11 H new ATOM 0 HZ2 LYS A 103 -10.783 -9.590 7.582 1.00 74.11 H new ATOM 0 HZ3 LYS A 103 -11.475 -11.092 7.195 1.00 74.11 H new ATOM 1670 N ASN A 104 -13.090 -4.179 9.705 1.00 74.14 N ATOM 1671 CA ASN A 104 -13.759 -2.922 10.127 1.00 72.20 C ATOM 1672 C ASN A 104 -12.850 -2.078 11.074 1.00 43.12 C ATOM 1673 O ASN A 104 -13.335 -1.251 11.842 1.00 41.33 O ATOM 1674 CB ASN A 104 -15.125 -3.303 10.791 1.00 32.25 C ATOM 1675 CG ASN A 104 -16.103 -2.132 10.988 1.00 45.11 C ATOM 1676 OD1 ASN A 104 -16.904 -1.820 10.105 1.00 30.24 O ATOM 1677 ND2 ASN A 104 -16.051 -1.481 12.140 1.00 54.12 N ATOM 0 H ASN A 104 -13.305 -4.974 10.307 1.00 74.14 H new ATOM 0 HA ASN A 104 -13.945 -2.286 9.262 1.00 72.20 H new ATOM 0 HB2 ASN A 104 -15.610 -4.062 10.178 1.00 32.25 H new ATOM 0 HB3 ASN A 104 -14.926 -3.757 11.762 1.00 32.25 H new ATOM 0 HD21 ASN A 104 -16.684 -0.700 12.314 1.00 54.12 H new ATOM 0 HD22 ASN A 104 -15.378 -1.760 12.854 1.00 54.12 H new ATOM 1684 N LEU A 105 -11.507 -2.281 10.976 1.00 43.14 N ATOM 1685 CA LEU A 105 -10.473 -1.515 11.727 1.00 31.42 C ATOM 1686 C LEU A 105 -10.651 -1.631 13.266 1.00 40.21 C ATOM 1687 O LEU A 105 -10.067 -0.844 14.014 1.00 11.41 O ATOM 1688 CB LEU A 105 -10.407 -0.001 11.296 1.00 4.22 C ATOM 1689 CG LEU A 105 -10.039 0.346 9.796 1.00 34.43 C ATOM 1690 CD1 LEU A 105 -11.184 0.031 8.814 1.00 3.21 C ATOM 1691 CD2 LEU A 105 -9.616 1.830 9.659 1.00 54.50 C ATOM 0 H LEU A 105 -11.107 -2.992 10.364 1.00 43.14 H new ATOM 0 HA LEU A 105 -9.522 -1.977 11.463 1.00 31.42 H new ATOM 0 HB2 LEU A 105 -11.378 0.446 11.510 1.00 4.22 H new ATOM 0 HB3 LEU A 105 -9.679 0.494 11.938 1.00 4.22 H new ATOM 0 HG LEU A 105 -9.198 -0.294 9.530 1.00 34.43 H new ATOM 0 HD11 LEU A 105 -10.876 0.289 7.801 1.00 3.21 H new ATOM 0 HD12 LEU A 105 -11.422 -1.032 8.862 1.00 3.21 H new ATOM 0 HD13 LEU A 105 -12.065 0.613 9.084 1.00 3.21 H new ATOM 0 HD21 LEU A 105 -9.368 2.043 8.619 1.00 54.50 H new ATOM 0 HD22 LEU A 105 -10.437 2.473 9.976 1.00 54.50 H new ATOM 0 HD23 LEU A 105 -8.745 2.019 10.286 1.00 54.50 H new ATOM 1703 N GLY A 106 -11.389 -2.666 13.722 1.00 34.23 N ATOM 1704 CA GLY A 106 -11.696 -2.858 15.146 1.00 32.25 C ATOM 1705 C GLY A 106 -11.932 -4.327 15.468 1.00 35.14 C ATOM 1706 O GLY A 106 -12.956 -4.892 15.067 1.00 70.24 O ATOM 0 H GLY A 106 -11.784 -3.384 13.114 1.00 34.23 H new ATOM 0 HA2 GLY A 106 -10.873 -2.478 15.752 1.00 32.25 H new ATOM 0 HA3 GLY A 106 -12.581 -2.279 15.411 1.00 32.25 H new ATOM 1710 N GLY A 107 -10.957 -4.961 16.153 1.00 72.20 N ATOM 1711 CA GLY A 107 -11.047 -6.368 16.556 1.00 3.32 C ATOM 1712 C GLY A 107 -10.646 -7.340 15.451 1.00 42.45 C ATOM 1713 O GLY A 107 -10.230 -6.924 14.363 1.00 64.51 O ATOM 0 H GLY A 107 -10.089 -4.507 16.439 1.00 72.20 H new ATOM 0 HA2 GLY A 107 -10.408 -6.532 17.424 1.00 3.32 H new ATOM 0 HA3 GLY A 107 -12.069 -6.585 16.868 1.00 3.32 H new ATOM 1717 N GLY A 108 -10.789 -8.645 15.735 1.00 74.13 N ATOM 1718 CA GLY A 108 -10.427 -9.705 14.792 1.00 21.11 C ATOM 1719 C GLY A 108 -9.076 -10.314 15.122 1.00 62.51 C ATOM 1720 O GLY A 108 -8.036 -9.716 14.845 1.00 24.21 O ATOM 0 H GLY A 108 -11.157 -8.989 16.622 1.00 74.13 H new ATOM 0 HA2 GLY A 108 -11.190 -10.483 14.808 1.00 21.11 H new ATOM 0 HA3 GLY A 108 -10.406 -9.300 13.780 1.00 21.11 H new ATOM 1724 N LEU A 109 -9.094 -11.510 15.735 1.00 40.40 N ATOM 1725 CA LEU A 109 -7.872 -12.249 16.123 1.00 44.11 C ATOM 1726 C LEU A 109 -7.209 -12.892 14.888 1.00 25.35 C ATOM 1727 O LEU A 109 -5.979 -13.056 14.843 1.00 13.33 O ATOM 1728 CB LEU A 109 -8.174 -13.342 17.191 1.00 14.32 C ATOM 1729 CG LEU A 109 -8.706 -12.849 18.591 1.00 5.50 C ATOM 1730 CD1 LEU A 109 -10.174 -12.364 18.535 1.00 32.13 C ATOM 1731 CD2 LEU A 109 -8.515 -13.941 19.678 1.00 45.31 C ATOM 0 H LEU A 109 -9.957 -11.996 15.978 1.00 40.40 H new ATOM 0 HA LEU A 109 -7.184 -11.527 16.563 1.00 44.11 H new ATOM 0 HB2 LEU A 109 -8.909 -14.030 16.773 1.00 14.32 H new ATOM 0 HB3 LEU A 109 -7.261 -13.914 17.358 1.00 14.32 H new ATOM 0 HG LEU A 109 -8.104 -11.983 18.867 1.00 5.50 H new ATOM 0 HD11 LEU A 109 -10.487 -12.036 19.526 1.00 32.13 H new ATOM 0 HD12 LEU A 109 -10.256 -11.532 17.835 1.00 32.13 H new ATOM 0 HD13 LEU A 109 -10.815 -13.181 18.204 1.00 32.13 H new ATOM 0 HD21 LEU A 109 -8.891 -13.573 20.633 1.00 45.31 H new ATOM 0 HD22 LEU A 109 -9.064 -14.838 19.393 1.00 45.31 H new ATOM 0 HD23 LEU A 109 -7.456 -14.179 19.772 1.00 45.31 H new ATOM 1743 N ILE A 110 -8.040 -13.246 13.897 1.00 42.21 N ATOM 1744 CA ILE A 110 -7.588 -13.884 12.649 1.00 4.05 C ATOM 1745 C ILE A 110 -7.271 -12.820 11.578 1.00 11.25 C ATOM 1746 O ILE A 110 -7.714 -11.663 11.671 1.00 54.44 O ATOM 1747 CB ILE A 110 -8.669 -14.910 12.098 1.00 22.25 C ATOM 1748 CG1 ILE A 110 -9.931 -14.157 11.532 1.00 12.42 C ATOM 1749 CG2 ILE A 110 -9.086 -15.944 13.191 1.00 5.22 C ATOM 1750 CD1 ILE A 110 -11.078 -15.042 11.036 1.00 2.21 C ATOM 0 H ILE A 110 -9.048 -13.098 13.937 1.00 42.21 H new ATOM 0 HA ILE A 110 -6.678 -14.440 12.874 1.00 4.05 H new ATOM 0 HB ILE A 110 -8.206 -15.460 11.279 1.00 22.25 H new ATOM 0 HG12 ILE A 110 -10.317 -13.500 12.312 1.00 12.42 H new ATOM 0 HG13 ILE A 110 -9.609 -13.519 10.709 1.00 12.42 H new ATOM 0 HG21 ILE A 110 -9.826 -16.630 12.779 1.00 5.22 H new ATOM 0 HG22 ILE A 110 -8.210 -16.507 13.513 1.00 5.22 H new ATOM 0 HG23 ILE A 110 -9.514 -15.418 14.045 1.00 5.22 H new ATOM 0 HD11 ILE A 110 -11.890 -14.414 10.670 1.00 2.21 H new ATOM 0 HD12 ILE A 110 -10.721 -15.681 10.228 1.00 2.21 H new ATOM 0 HD13 ILE A 110 -11.440 -15.662 11.856 1.00 2.21 H new ATOM 1762 N MET A 111 -6.484 -13.232 10.572 1.00 64.25 N ATOM 1763 CA MET A 111 -6.112 -12.399 9.413 1.00 35.34 C ATOM 1764 C MET A 111 -6.804 -12.933 8.145 1.00 51.14 C ATOM 1765 O MET A 111 -7.185 -14.101 8.091 1.00 53.05 O ATOM 1766 CB MET A 111 -4.569 -12.372 9.245 1.00 65.02 C ATOM 1767 CG MET A 111 -3.903 -13.737 9.045 1.00 2.41 C ATOM 1768 SD MET A 111 -2.115 -13.591 8.872 1.00 12.31 S ATOM 1769 CE MET A 111 -1.601 -15.303 8.877 1.00 34.01 C ATOM 0 H MET A 111 -6.081 -14.168 10.539 1.00 64.25 H new ATOM 0 HA MET A 111 -6.447 -11.375 9.580 1.00 35.34 H new ATOM 0 HB2 MET A 111 -4.325 -11.740 8.391 1.00 65.02 H new ATOM 0 HB3 MET A 111 -4.133 -11.900 10.126 1.00 65.02 H new ATOM 0 HG2 MET A 111 -4.135 -14.382 9.893 1.00 2.41 H new ATOM 0 HG3 MET A 111 -4.316 -14.216 8.157 1.00 2.41 H new ATOM 0 HE1 MET A 111 -0.749 -15.429 8.208 1.00 34.01 H new ATOM 0 HE2 MET A 111 -1.315 -15.594 9.888 1.00 34.01 H new ATOM 0 HE3 MET A 111 -2.425 -15.931 8.538 1.00 34.01 H new ATOM 1779 N SER A 112 -6.949 -12.062 7.137 1.00 34.35 N ATOM 1780 CA SER A 112 -7.699 -12.359 5.897 1.00 12.22 C ATOM 1781 C SER A 112 -7.005 -13.425 5.024 1.00 50.41 C ATOM 1782 O SER A 112 -7.655 -14.083 4.204 1.00 30.14 O ATOM 1783 CB SER A 112 -7.879 -11.054 5.101 1.00 4.01 C ATOM 1784 OG SER A 112 -8.437 -10.037 5.916 1.00 1.13 O ATOM 0 H SER A 112 -6.549 -11.124 7.154 1.00 34.35 H new ATOM 0 HA SER A 112 -8.668 -12.771 6.179 1.00 12.22 H new ATOM 0 HB2 SER A 112 -6.916 -10.725 4.711 1.00 4.01 H new ATOM 0 HB3 SER A 112 -8.526 -11.233 4.242 1.00 4.01 H new ATOM 0 HG SER A 112 -8.541 -9.217 5.390 1.00 1.13 H new ATOM 1790 N TRP A 113 -5.682 -13.562 5.204 1.00 75.44 N ATOM 1791 CA TRP A 113 -4.857 -14.545 4.481 1.00 3.54 C ATOM 1792 C TRP A 113 -5.231 -15.980 4.928 1.00 41.32 C ATOM 1793 O TRP A 113 -4.742 -16.461 5.954 1.00 33.24 O ATOM 1794 CB TRP A 113 -3.350 -14.243 4.723 1.00 0.43 C ATOM 1795 CG TRP A 113 -2.378 -15.100 3.921 1.00 11.51 C ATOM 1796 CD1 TRP A 113 -2.029 -14.943 2.608 1.00 65.33 C ATOM 1797 CD2 TRP A 113 -1.610 -16.215 4.396 1.00 3.33 C ATOM 1798 NE1 TRP A 113 -1.108 -15.889 2.242 1.00 23.42 N ATOM 1799 CE2 TRP A 113 -0.834 -16.679 3.320 1.00 40.51 C ATOM 1800 CE3 TRP A 113 -1.504 -16.861 5.628 1.00 15.44 C ATOM 1801 CZ2 TRP A 113 0.034 -17.758 3.443 1.00 63.42 C ATOM 1802 CZ3 TRP A 113 -0.646 -17.936 5.749 1.00 23.12 C ATOM 1803 CH2 TRP A 113 0.117 -18.375 4.662 1.00 50.11 C ATOM 0 H TRP A 113 -5.150 -12.990 5.860 1.00 75.44 H new ATOM 0 HA TRP A 113 -5.048 -14.471 3.410 1.00 3.54 H new ATOM 0 HB2 TRP A 113 -3.164 -13.195 4.488 1.00 0.43 H new ATOM 0 HB3 TRP A 113 -3.135 -14.375 5.784 1.00 0.43 H new ATOM 0 HD1 TRP A 113 -2.424 -14.181 1.952 1.00 65.33 H new ATOM 0 HE1 TRP A 113 -0.695 -15.987 1.315 1.00 23.42 H new ATOM 0 HE3 TRP A 113 -2.084 -16.525 6.475 1.00 15.44 H new ATOM 0 HZ2 TRP A 113 0.623 -18.098 2.604 1.00 63.42 H new ATOM 0 HZ3 TRP A 113 -0.563 -18.446 6.698 1.00 23.12 H new ATOM 0 HH2 TRP A 113 0.783 -19.216 4.787 1.00 50.11 H new ATOM 1814 N GLY A 114 -6.135 -16.626 4.164 1.00 74.22 N ATOM 1815 CA GLY A 114 -6.625 -17.978 4.471 1.00 30.43 C ATOM 1816 C GLY A 114 -5.887 -19.076 3.717 1.00 20.25 C ATOM 1817 O GLY A 114 -6.015 -20.254 4.060 1.00 74.33 O ATOM 0 H GLY A 114 -6.543 -16.224 3.320 1.00 74.22 H new ATOM 0 HA2 GLY A 114 -6.530 -18.156 5.542 1.00 30.43 H new ATOM 0 HA3 GLY A 114 -7.687 -18.034 4.232 1.00 30.43 H new ATOM 1821 N ARG A 115 -5.110 -18.687 2.685 1.00 61.04 N ATOM 1822 CA ARG A 115 -4.303 -19.621 1.866 1.00 21.04 C ATOM 1823 C ARG A 115 -3.005 -20.014 2.590 1.00 61.31 C ATOM 1824 O ARG A 115 -2.783 -19.628 3.744 1.00 73.43 O ATOM 1825 CB ARG A 115 -3.988 -18.992 0.475 1.00 45.24 C ATOM 1826 CG ARG A 115 -5.223 -18.786 -0.428 1.00 33.54 C ATOM 1827 CD ARG A 115 -4.856 -18.212 -1.807 1.00 43.24 C ATOM 1828 NE ARG A 115 -3.944 -19.098 -2.559 1.00 41.23 N ATOM 1829 CZ ARG A 115 -3.441 -18.854 -3.786 1.00 22.22 C ATOM 1830 NH1 ARG A 115 -3.745 -17.738 -4.446 1.00 33.42 N ATOM 1831 NH2 ARG A 115 -2.624 -19.737 -4.343 1.00 44.25 N ATOM 0 H ARG A 115 -5.023 -17.713 2.394 1.00 61.04 H new ATOM 0 HA ARG A 115 -4.888 -20.528 1.713 1.00 21.04 H new ATOM 0 HB2 ARG A 115 -3.500 -18.029 0.628 1.00 45.24 H new ATOM 0 HB3 ARG A 115 -3.275 -19.631 -0.046 1.00 45.24 H new ATOM 0 HG2 ARG A 115 -5.736 -19.739 -0.560 1.00 33.54 H new ATOM 0 HG3 ARG A 115 -5.923 -18.113 0.067 1.00 33.54 H new ATOM 0 HD2 ARG A 115 -5.766 -18.055 -2.386 1.00 43.24 H new ATOM 0 HD3 ARG A 115 -4.387 -17.236 -1.679 1.00 43.24 H new ATOM 0 HE ARG A 115 -3.670 -19.972 -2.110 1.00 41.23 H new ATOM 0 HH11 ARG A 115 -4.368 -17.050 -4.024 1.00 33.42 H new ATOM 0 HH12 ARG A 115 -3.354 -17.571 -5.373 1.00 33.42 H new ATOM 0 HH21 ARG A 115 -2.381 -20.593 -3.844 1.00 44.25 H new ATOM 0 HH22 ARG A 115 -2.239 -19.561 -5.271 1.00 44.25 H new ATOM 1845 N LEU A 116 -2.145 -20.788 1.900 1.00 20.04 N ATOM 1846 CA LEU A 116 -0.895 -21.314 2.468 1.00 44.11 C ATOM 1847 C LEU A 116 0.244 -21.186 1.434 1.00 31.41 C ATOM 1848 O LEU A 116 0.184 -21.783 0.353 1.00 34.02 O ATOM 1849 CB LEU A 116 -1.103 -22.792 2.904 1.00 21.12 C ATOM 1850 CG LEU A 116 0.031 -23.414 3.772 1.00 51.32 C ATOM 1851 CD1 LEU A 116 0.145 -22.709 5.144 1.00 24.21 C ATOM 1852 CD2 LEU A 116 -0.155 -24.943 3.926 1.00 62.25 C ATOM 0 H LEU A 116 -2.301 -21.065 0.931 1.00 20.04 H new ATOM 0 HA LEU A 116 -0.616 -20.735 3.348 1.00 44.11 H new ATOM 0 HB2 LEU A 116 -2.037 -22.857 3.461 1.00 21.12 H new ATOM 0 HB3 LEU A 116 -1.223 -23.401 2.008 1.00 21.12 H new ATOM 0 HG LEU A 116 0.974 -23.253 3.249 1.00 51.32 H new ATOM 0 HD11 LEU A 116 0.946 -23.168 5.724 1.00 24.21 H new ATOM 0 HD12 LEU A 116 0.366 -21.652 4.993 1.00 24.21 H new ATOM 0 HD13 LEU A 116 -0.797 -22.809 5.684 1.00 24.21 H new ATOM 0 HD21 LEU A 116 0.652 -25.348 4.537 1.00 62.25 H new ATOM 0 HD22 LEU A 116 -1.112 -25.147 4.407 1.00 62.25 H new ATOM 0 HD23 LEU A 116 -0.136 -25.413 2.943 1.00 62.25 H new ATOM 1864 N PHE A 117 1.269 -20.382 1.773 1.00 53.34 N ATOM 1865 CA PHE A 117 2.448 -20.121 0.918 1.00 22.30 C ATOM 1866 C PHE A 117 3.717 -20.632 1.635 1.00 64.25 C ATOM 1867 O PHE A 117 4.168 -19.975 2.593 1.00 45.51 O ATOM 1868 CB PHE A 117 2.548 -18.601 0.573 1.00 42.31 C ATOM 1869 CG PHE A 117 1.549 -18.141 -0.491 1.00 61.21 C ATOM 1870 CD1 PHE A 117 1.945 -17.988 -1.818 1.00 55.52 C ATOM 1871 CD2 PHE A 117 0.216 -17.882 -0.168 1.00 73.23 C ATOM 1872 CE1 PHE A 117 1.044 -17.591 -2.784 1.00 54.13 C ATOM 1873 CE2 PHE A 117 -0.685 -17.482 -1.138 1.00 22.44 C ATOM 1874 CZ PHE A 117 -0.269 -17.338 -2.445 1.00 60.25 C ATOM 1875 OXT PHE A 117 4.232 -21.708 1.261 1.00 37.67 O ATOM 0 H PHE A 117 1.304 -19.886 2.663 1.00 53.34 H new ATOM 0 HA PHE A 117 2.346 -20.657 -0.026 1.00 22.30 H new ATOM 0 HB2 PHE A 117 2.389 -18.021 1.482 1.00 42.31 H new ATOM 0 HB3 PHE A 117 3.558 -18.382 0.228 1.00 42.31 H new ATOM 0 HD1 PHE A 117 2.971 -18.183 -2.094 1.00 55.52 H new ATOM 0 HD2 PHE A 117 -0.116 -17.996 0.853 1.00 73.23 H new ATOM 0 HE1 PHE A 117 1.367 -17.478 -3.808 1.00 54.13 H new ATOM 0 HE2 PHE A 117 -1.713 -17.283 -0.872 1.00 22.44 H new ATOM 0 HZ PHE A 117 -0.972 -17.027 -3.204 1.00 60.25 H new TER 1885 PHE A 117