USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 987 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 110 GLN : amide:sc= 0.54 K(o=1.5,f=-4.8!) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.913 K(o=1.5,f=-6.8!) USER MOD Set 2.1: A 74 GLN : amide:sc= -0.0518 X(o=-1.5,f=-1.5) USER MOD Set 2.2: A 77 MET CE :methyl -178:sc= -1.46 (180deg=-1.48) USER MOD Set 3.1: A 33 THR OG1 : rot 112:sc= -1.05 USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 51 GLN : amide:sc= -1.11 K(o=-1.7,f=-5.7!) USER MOD Set 4.2: A 68 MET CE :methyl 154:sc= -0.558 (180deg=-1.22) USER MOD Set 4.3: A 99 THR OG1 : rot 120:sc= 0 USER MOD Set 5.1: A 40 SER OG : rot -145:sc= 0.863 USER MOD Set 5.2: A 45 SER OG : rot 121:sc= 0.942 USER MOD Set 6.1: A 7 HIS : no HD1:sc= -0.13 K(o=0.06,f=-0.98) USER MOD Set 6.2: A 9 SER OG : rot 136:sc= 0.19 USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.681) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0274 (180deg=-0.181) USER MOD Single : A 3 HIS : no HE2:sc= -0.381 K(o=-0.38,f=-1.1) USER MOD Single : A 4 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=-0.058) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=-0.091) USER MOD Single : A 10 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.0049) USER MOD Single : A 11 MET CE :methyl -118:sc= 0 (180deg=-1.43) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.043) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0.358 (180deg=0.338) USER MOD Single : A 26 THR OG1 : rot 75:sc= 0.598 USER MOD Single : A 29 SER OG : rot -28:sc= 0.367 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0964 K(o=-0.096,f=-2.1!) USER MOD Single : A 47 HIS : no HD1:sc= -0.0654 K(o=-0.065,f=-0.58) USER MOD Single : A 53 GLN : amide:sc= 0.402 K(o=0.4,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00332) USER MOD Single : A 61 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.035) USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0322) USER MOD Single : A 65 HIS : no HE2:sc= -0.144 X(o=-0.14,f=-0.48) USER MOD Single : A 66 ASN : amide:sc= -0.478 K(o=-0.48,f=-3.8!) USER MOD Single : A 67 ASN : amide:sc= -0.458 K(o=-0.46,f=-7.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.305 K(o=0.31,f=-0.23) USER MOD Single : A 78 TYR OH : rot 180:sc= 0.102 USER MOD Single : A 82 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0554) USER MOD Single : A 85 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.55) USER MOD Single : A 88 GLN : amide:sc= -0.502 K(o=-0.5,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.55) USER MOD Single : A 103 HIS : no HD1:sc= -2.65! K(o=-2.6!,f=-4.4) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.038) USER MOD Single : A 118 LYS NZ :NH3+ -112:sc= 0.829 (180deg=-0.0525) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -53:sc= 0.221 USER MOD Single : A 123 SER OG : rot 96:sc= 0.348 USER MOD Single : A 125 SER OG : rot 180:sc= -0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.594 6.620 11.725 1.00 53.30 N ATOM 2 CA MET A 1 7.908 5.758 10.564 1.00 10.23 C ATOM 3 C MET A 1 9.310 5.164 10.766 1.00 65.41 C ATOM 4 O MET A 1 10.320 5.724 10.315 1.00 12.54 O ATOM 5 CB MET A 1 7.811 6.559 9.235 1.00 72.42 C ATOM 6 CG MET A 1 6.496 7.326 9.046 1.00 13.44 C ATOM 7 SD MET A 1 5.024 6.278 9.018 1.00 52.32 S ATOM 8 CE MET A 1 3.721 7.517 8.949 1.00 24.42 C ATOM 0 H1 MET A 1 6.588 6.881 11.701 1.00 53.30 H new ATOM 0 H2 MET A 1 7.797 6.105 12.605 1.00 53.30 H new ATOM 0 H3 MET A 1 8.176 7.481 11.686 1.00 53.30 H new ATOM 0 HA MET A 1 7.181 4.948 10.494 1.00 10.23 H new ATOM 0 HB2 MET A 1 8.639 7.267 9.192 1.00 72.42 H new ATOM 0 HB3 MET A 1 7.937 5.869 8.400 1.00 72.42 H new ATOM 0 HG2 MET A 1 6.394 8.054 9.851 1.00 13.44 H new ATOM 0 HG3 MET A 1 6.547 7.887 8.113 1.00 13.44 H new ATOM 0 HE1 MET A 1 2.833 7.140 9.457 1.00 24.42 H new ATOM 0 HE2 MET A 1 4.060 8.429 9.440 1.00 24.42 H new ATOM 0 HE3 MET A 1 3.480 7.733 7.908 1.00 24.42 H new ATOM 20 N GLY A 2 9.358 4.051 11.506 1.00 41.22 N ATOM 21 CA GLY A 2 10.616 3.418 11.878 1.00 23.21 C ATOM 22 C GLY A 2 10.389 2.084 12.560 1.00 13.02 C ATOM 23 O GLY A 2 9.651 1.252 12.023 1.00 14.32 O ATOM 0 H GLY A 2 8.530 3.571 11.859 1.00 41.22 H new ATOM 0 HA2 GLY A 2 11.228 3.273 10.988 1.00 23.21 H new ATOM 0 HA3 GLY A 2 11.173 4.077 12.544 1.00 23.21 H new ATOM 27 N HIS A 3 11.002 1.908 13.765 1.00 15.25 N ATOM 28 CA HIS A 3 11.013 0.646 14.563 1.00 14.31 C ATOM 29 C HIS A 3 11.273 -0.591 13.671 1.00 70.23 C ATOM 30 O HIS A 3 10.635 -1.636 13.805 1.00 53.13 O ATOM 31 CB HIS A 3 9.742 0.503 15.476 1.00 55.32 C ATOM 32 CG HIS A 3 8.423 0.328 14.761 1.00 14.15 C ATOM 33 ND1 HIS A 3 7.969 -0.890 14.307 1.00 11.44 N ATOM 34 CD2 HIS A 3 7.466 1.221 14.423 1.00 12.52 C ATOM 35 CE1 HIS A 3 6.801 -0.732 13.720 1.00 74.41 C ATOM 36 NE2 HIS A 3 6.474 0.538 13.776 1.00 34.24 N ATOM 0 H HIS A 3 11.517 2.661 14.221 1.00 15.25 H new ATOM 0 HA HIS A 3 11.856 0.705 15.252 1.00 14.31 H new ATOM 0 HB2 HIS A 3 9.889 -0.351 16.137 1.00 55.32 H new ATOM 0 HB3 HIS A 3 9.674 1.388 16.109 1.00 55.32 H new ATOM 0 HD1 HIS A 3 8.461 -1.777 14.410 1.00 11.44 H new ATOM 0 HD2 HIS A 3 7.482 2.281 14.627 1.00 12.52 H new ATOM 0 HE1 HIS A 3 6.211 -1.516 13.268 1.00 74.41 H new ATOM 45 N HIS A 4 12.241 -0.431 12.758 1.00 3.53 N ATOM 46 CA HIS A 4 12.650 -1.451 11.787 1.00 71.32 C ATOM 47 C HIS A 4 14.177 -1.558 11.800 1.00 0.14 C ATOM 48 O HIS A 4 14.872 -0.604 11.440 1.00 63.43 O ATOM 49 CB HIS A 4 12.132 -1.064 10.376 1.00 72.42 C ATOM 50 CG HIS A 4 12.580 -1.975 9.249 1.00 25.12 C ATOM 51 ND1 HIS A 4 12.884 -1.516 7.979 1.00 73.04 N ATOM 52 CD2 HIS A 4 12.747 -3.324 9.195 1.00 64.14 C ATOM 53 CE1 HIS A 4 13.217 -2.533 7.210 1.00 21.31 C ATOM 54 NE2 HIS A 4 13.143 -3.635 7.923 1.00 22.50 N ATOM 0 H HIS A 4 12.774 0.435 12.674 1.00 3.53 H new ATOM 0 HA HIS A 4 12.224 -2.419 12.051 1.00 71.32 H new ATOM 0 HB2 HIS A 4 11.042 -1.050 10.398 1.00 72.42 H new ATOM 0 HB3 HIS A 4 12.460 -0.049 10.153 1.00 72.42 H new ATOM 0 HD2 HIS A 4 12.595 -4.021 10.006 1.00 64.14 H new ATOM 0 HE1 HIS A 4 13.502 -2.472 6.170 1.00 21.31 H new ATOM 0 HE2 HIS A 4 13.348 -4.574 7.582 1.00 22.50 H new ATOM 63 N HIS A 5 14.686 -2.712 12.240 1.00 44.51 N ATOM 64 CA HIS A 5 16.129 -3.002 12.269 1.00 41.21 C ATOM 65 C HIS A 5 16.579 -3.410 10.850 1.00 12.30 C ATOM 66 O HIS A 5 15.824 -4.094 10.151 1.00 34.23 O ATOM 67 CB HIS A 5 16.391 -4.131 13.301 1.00 41.15 C ATOM 68 CG HIS A 5 17.827 -4.306 13.718 1.00 31.12 C ATOM 69 ND1 HIS A 5 18.595 -5.384 13.343 1.00 23.22 N ATOM 70 CD2 HIS A 5 18.614 -3.556 14.528 1.00 24.43 C ATOM 71 CE1 HIS A 5 19.786 -5.289 13.899 1.00 61.25 C ATOM 72 NE2 HIS A 5 19.823 -4.194 14.625 1.00 42.54 N ATOM 0 H HIS A 5 14.109 -3.477 12.589 1.00 44.51 H new ATOM 0 HA HIS A 5 16.702 -2.126 12.571 1.00 41.21 H new ATOM 0 HB2 HIS A 5 15.794 -3.932 14.191 1.00 41.15 H new ATOM 0 HB3 HIS A 5 16.035 -5.072 12.882 1.00 41.15 H new ATOM 0 HD2 HIS A 5 18.339 -2.628 15.008 1.00 24.43 H new ATOM 0 HE1 HIS A 5 20.596 -5.993 13.778 1.00 61.25 H new ATOM 0 HE2 HIS A 5 20.622 -3.872 15.172 1.00 42.54 H new ATOM 81 N HIS A 6 17.787 -2.973 10.424 1.00 54.45 N ATOM 82 CA HIS A 6 18.317 -3.251 9.063 1.00 3.21 C ATOM 83 C HIS A 6 18.538 -4.764 8.847 1.00 45.04 C ATOM 84 O HIS A 6 19.520 -5.336 9.339 1.00 3.03 O ATOM 85 CB HIS A 6 19.640 -2.464 8.794 1.00 32.23 C ATOM 86 CG HIS A 6 19.469 -0.966 8.648 1.00 0.13 C ATOM 87 ND1 HIS A 6 19.813 -0.058 9.630 1.00 22.04 N ATOM 88 CD2 HIS A 6 19.014 -0.219 7.609 1.00 24.42 C ATOM 89 CE1 HIS A 6 19.575 1.166 9.199 1.00 73.41 C ATOM 90 NE2 HIS A 6 19.092 1.094 7.979 1.00 21.25 N ATOM 0 H HIS A 6 18.419 -2.423 11.006 1.00 54.45 H new ATOM 0 HA HIS A 6 17.568 -2.909 8.349 1.00 3.21 H new ATOM 0 HB2 HIS A 6 20.335 -2.658 9.611 1.00 32.23 H new ATOM 0 HB3 HIS A 6 20.100 -2.853 7.886 1.00 32.23 H new ATOM 0 HD2 HIS A 6 18.656 -0.595 6.662 1.00 24.42 H new ATOM 0 HE1 HIS A 6 19.748 2.075 9.756 1.00 73.41 H new ATOM 0 HE2 HIS A 6 18.819 1.890 7.402 1.00 21.25 H new ATOM 99 N HIS A 7 17.589 -5.413 8.141 1.00 22.15 N ATOM 100 CA HIS A 7 17.674 -6.845 7.790 1.00 71.50 C ATOM 101 C HIS A 7 18.066 -7.027 6.315 1.00 44.23 C ATOM 102 O HIS A 7 17.286 -6.726 5.408 1.00 24.31 O ATOM 103 CB HIS A 7 16.337 -7.584 8.079 1.00 22.24 C ATOM 104 CG HIS A 7 16.060 -7.822 9.545 1.00 21.41 C ATOM 105 ND1 HIS A 7 16.591 -8.888 10.238 1.00 64.23 N ATOM 106 CD2 HIS A 7 15.319 -7.134 10.449 1.00 22.14 C ATOM 107 CE1 HIS A 7 16.194 -8.841 11.492 1.00 73.25 C ATOM 108 NE2 HIS A 7 15.427 -7.793 11.647 1.00 22.15 N ATOM 0 H HIS A 7 16.742 -4.959 7.798 1.00 22.15 H new ATOM 0 HA HIS A 7 18.449 -7.285 8.417 1.00 71.50 H new ATOM 0 HB2 HIS A 7 15.517 -7.004 7.656 1.00 22.24 H new ATOM 0 HB3 HIS A 7 16.348 -8.544 7.563 1.00 22.24 H new ATOM 0 HD2 HIS A 7 14.750 -6.235 10.261 1.00 22.14 H new ATOM 0 HE1 HIS A 7 16.457 -9.549 12.264 1.00 73.25 H new ATOM 0 HE2 HIS A 7 14.980 -7.511 12.520 1.00 22.15 H new ATOM 117 N HIS A 8 19.292 -7.532 6.092 1.00 55.14 N ATOM 118 CA HIS A 8 19.719 -8.079 4.790 1.00 54.13 C ATOM 119 C HIS A 8 19.517 -9.619 4.800 1.00 2.04 C ATOM 120 O HIS A 8 20.189 -10.362 4.075 1.00 72.23 O ATOM 121 CB HIS A 8 21.192 -7.664 4.483 1.00 33.02 C ATOM 122 CG HIS A 8 22.234 -8.152 5.460 1.00 51.30 C ATOM 123 ND1 HIS A 8 22.612 -7.439 6.577 1.00 14.43 N ATOM 124 CD2 HIS A 8 22.998 -9.273 5.464 1.00 22.11 C ATOM 125 CE1 HIS A 8 23.557 -8.098 7.217 1.00 12.31 C ATOM 126 NE2 HIS A 8 23.808 -9.210 6.565 1.00 72.43 N ATOM 0 H HIS A 8 20.016 -7.573 6.809 1.00 55.14 H new ATOM 0 HA HIS A 8 19.110 -7.667 3.986 1.00 54.13 H new ATOM 0 HB2 HIS A 8 21.453 -8.031 3.490 1.00 33.02 H new ATOM 0 HB3 HIS A 8 21.241 -6.576 4.443 1.00 33.02 H new ATOM 0 HD2 HIS A 8 22.972 -10.068 4.733 1.00 22.11 H new ATOM 0 HE1 HIS A 8 24.044 -7.777 8.126 1.00 12.31 H new ATOM 0 HE2 HIS A 8 24.496 -9.913 6.836 1.00 72.43 H new ATOM 135 N SER A 9 18.545 -10.063 5.632 1.00 52.41 N ATOM 136 CA SER A 9 18.158 -11.469 5.806 1.00 15.24 C ATOM 137 C SER A 9 17.606 -12.070 4.495 1.00 41.15 C ATOM 138 O SER A 9 17.043 -11.350 3.667 1.00 74.25 O ATOM 139 CB SER A 9 17.085 -11.546 6.921 1.00 11.11 C ATOM 140 OG SER A 9 17.551 -10.939 8.120 1.00 24.01 O ATOM 0 H SER A 9 17.998 -9.429 6.214 1.00 52.41 H new ATOM 0 HA SER A 9 19.038 -12.049 6.083 1.00 15.24 H new ATOM 0 HB2 SER A 9 16.173 -11.049 6.588 1.00 11.11 H new ATOM 0 HB3 SER A 9 16.829 -12.588 7.113 1.00 11.11 H new ATOM 0 HG SER A 9 16.841 -10.381 8.501 1.00 24.01 H new ATOM 146 N HIS A 10 17.768 -13.392 4.331 1.00 31.14 N ATOM 147 CA HIS A 10 17.264 -14.133 3.159 1.00 33.21 C ATOM 148 C HIS A 10 16.843 -15.555 3.575 1.00 10.52 C ATOM 149 O HIS A 10 17.557 -16.228 4.330 1.00 3.25 O ATOM 150 CB HIS A 10 18.318 -14.173 2.011 1.00 40.11 C ATOM 151 CG HIS A 10 19.638 -14.827 2.349 1.00 52.35 C ATOM 152 ND1 HIS A 10 20.140 -15.914 1.666 1.00 73.22 N ATOM 153 CD2 HIS A 10 20.584 -14.504 3.264 1.00 54.22 C ATOM 154 CE1 HIS A 10 21.322 -16.228 2.144 1.00 72.04 C ATOM 155 NE2 HIS A 10 21.616 -15.389 3.112 1.00 31.24 N ATOM 0 H HIS A 10 18.253 -13.981 5.008 1.00 31.14 H new ATOM 0 HA HIS A 10 16.390 -13.608 2.774 1.00 33.21 H new ATOM 0 HB2 HIS A 10 17.882 -14.698 1.161 1.00 40.11 H new ATOM 0 HB3 HIS A 10 18.513 -13.151 1.688 1.00 40.11 H new ATOM 0 HD2 HIS A 10 20.533 -13.697 3.980 1.00 54.22 H new ATOM 0 HE1 HIS A 10 21.947 -17.039 1.800 1.00 72.04 H new ATOM 0 HE2 HIS A 10 22.475 -15.397 3.661 1.00 31.24 H new ATOM 164 N MET A 11 15.668 -15.987 3.087 1.00 1.54 N ATOM 165 CA MET A 11 15.103 -17.322 3.365 1.00 54.13 C ATOM 166 C MET A 11 15.694 -18.366 2.398 1.00 44.25 C ATOM 167 O MET A 11 16.551 -18.042 1.561 1.00 70.44 O ATOM 168 CB MET A 11 13.552 -17.279 3.234 1.00 73.30 C ATOM 169 CG MET A 11 12.851 -16.339 4.224 1.00 41.50 C ATOM 170 SD MET A 11 13.144 -16.787 5.948 1.00 62.00 S ATOM 171 CE MET A 11 12.130 -15.579 6.808 1.00 32.15 C ATOM 0 H MET A 11 15.077 -15.416 2.483 1.00 1.54 H new ATOM 0 HA MET A 11 15.363 -17.610 4.384 1.00 54.13 H new ATOM 0 HB2 MET A 11 13.295 -16.974 2.220 1.00 73.30 H new ATOM 0 HB3 MET A 11 13.161 -18.287 3.372 1.00 73.30 H new ATOM 0 HG2 MET A 11 13.197 -15.319 4.055 1.00 41.50 H new ATOM 0 HG3 MET A 11 11.779 -16.349 4.029 1.00 41.50 H new ATOM 0 HE1 MET A 11 12.764 -14.951 7.434 1.00 32.15 H new ATOM 0 HE2 MET A 11 11.609 -14.957 6.080 1.00 32.15 H new ATOM 0 HE3 MET A 11 11.401 -16.095 7.432 1.00 32.15 H new ATOM 181 N ALA A 12 15.239 -19.623 2.529 1.00 13.43 N ATOM 182 CA ALA A 12 15.640 -20.727 1.638 1.00 63.11 C ATOM 183 C ALA A 12 14.387 -21.348 0.995 1.00 14.44 C ATOM 184 O ALA A 12 13.591 -22.008 1.678 1.00 13.24 O ATOM 185 CB ALA A 12 16.460 -21.771 2.419 1.00 25.53 C ATOM 0 H ALA A 12 14.582 -19.904 3.257 1.00 13.43 H new ATOM 0 HA ALA A 12 16.277 -20.345 0.840 1.00 63.11 H new ATOM 0 HB1 ALA A 12 16.750 -22.581 1.750 1.00 25.53 H new ATOM 0 HB2 ALA A 12 17.354 -21.300 2.827 1.00 25.53 H new ATOM 0 HB3 ALA A 12 15.857 -22.172 3.234 1.00 25.53 H new ATOM 191 N GLY A 13 14.204 -21.095 -0.314 1.00 64.13 N ATOM 192 CA GLY A 13 13.088 -21.654 -1.088 1.00 2.11 C ATOM 193 C GLY A 13 12.342 -20.591 -1.891 1.00 24.01 C ATOM 194 O GLY A 13 12.655 -19.398 -1.775 1.00 23.52 O ATOM 0 H GLY A 13 14.825 -20.499 -0.861 1.00 64.13 H new ATOM 0 HA2 GLY A 13 13.468 -22.418 -1.767 1.00 2.11 H new ATOM 0 HA3 GLY A 13 12.392 -22.148 -0.410 1.00 2.11 H new ATOM 198 N PRO A 14 11.372 -21.002 -2.762 1.00 33.03 N ATOM 199 CA PRO A 14 10.482 -20.066 -3.483 1.00 74.31 C ATOM 200 C PRO A 14 9.195 -19.735 -2.683 1.00 63.31 C ATOM 201 O PRO A 14 8.933 -20.344 -1.637 1.00 11.55 O ATOM 202 CB PRO A 14 10.161 -20.870 -4.757 1.00 41.24 C ATOM 203 CG PRO A 14 10.066 -22.291 -4.281 1.00 42.23 C ATOM 204 CD PRO A 14 11.091 -22.421 -3.157 1.00 64.24 C ATOM 0 HA PRO A 14 10.934 -19.091 -3.665 1.00 74.31 H new ATOM 0 HB2 PRO A 14 9.227 -20.539 -5.212 1.00 41.24 H new ATOM 0 HB3 PRO A 14 10.941 -20.753 -5.509 1.00 41.24 H new ATOM 0 HG2 PRO A 14 9.062 -22.517 -3.923 1.00 42.23 H new ATOM 0 HG3 PRO A 14 10.281 -22.990 -5.089 1.00 42.23 H new ATOM 0 HD2 PRO A 14 10.696 -22.998 -2.321 1.00 64.24 H new ATOM 0 HD3 PRO A 14 11.994 -22.928 -3.496 1.00 64.24 H new ATOM 212 N SER A 15 8.426 -18.750 -3.194 1.00 52.42 N ATOM 213 CA SER A 15 7.072 -18.373 -2.702 1.00 13.10 C ATOM 214 C SER A 15 7.042 -18.088 -1.191 1.00 34.55 C ATOM 215 O SER A 15 6.113 -18.486 -0.478 1.00 1.11 O ATOM 216 CB SER A 15 6.006 -19.428 -3.134 1.00 33.41 C ATOM 217 OG SER A 15 6.233 -20.714 -2.566 1.00 75.13 O ATOM 0 H SER A 15 8.732 -18.177 -3.980 1.00 52.42 H new ATOM 0 HA SER A 15 6.809 -17.429 -3.179 1.00 13.10 H new ATOM 0 HB2 SER A 15 5.016 -19.077 -2.841 1.00 33.41 H new ATOM 0 HB3 SER A 15 6.006 -19.512 -4.221 1.00 33.41 H new ATOM 0 HG SER A 15 5.536 -21.333 -2.869 1.00 75.13 H new ATOM 223 N ASN A 16 8.051 -17.348 -0.716 1.00 11.33 N ATOM 224 CA ASN A 16 8.142 -16.921 0.696 1.00 13.31 C ATOM 225 C ASN A 16 7.468 -15.540 0.880 1.00 11.02 C ATOM 226 O ASN A 16 7.846 -14.768 1.772 1.00 24.21 O ATOM 227 CB ASN A 16 9.638 -16.877 1.133 1.00 62.02 C ATOM 228 CG ASN A 16 10.357 -18.234 1.037 1.00 41.53 C ATOM 229 OD1 ASN A 16 11.547 -18.295 0.726 1.00 42.14 O ATOM 230 ND2 ASN A 16 9.664 -19.328 1.340 1.00 42.41 N ATOM 0 H ASN A 16 8.828 -17.026 -1.293 1.00 11.33 H new ATOM 0 HA ASN A 16 7.617 -17.638 1.327 1.00 13.31 H new ATOM 0 HB2 ASN A 16 10.166 -16.153 0.513 1.00 62.02 H new ATOM 0 HB3 ASN A 16 9.695 -16.519 2.161 1.00 62.02 H new ATOM 0 HD21 ASN A 16 10.117 -20.241 1.318 1.00 42.41 H new ATOM 0 HD22 ASN A 16 8.679 -19.254 1.595 1.00 42.41 H new ATOM 237 N VAL A 17 6.466 -15.243 0.017 1.00 31.24 N ATOM 238 CA VAL A 17 5.760 -13.947 -0.010 1.00 64.33 C ATOM 239 C VAL A 17 4.797 -13.824 1.198 1.00 52.03 C ATOM 240 O VAL A 17 3.960 -14.711 1.408 1.00 52.02 O ATOM 241 CB VAL A 17 4.950 -13.762 -1.356 1.00 45.31 C ATOM 242 CG1 VAL A 17 4.236 -12.388 -1.401 1.00 35.00 C ATOM 243 CG2 VAL A 17 5.863 -13.943 -2.592 1.00 0.00 C ATOM 0 H VAL A 17 6.126 -15.903 -0.683 1.00 31.24 H new ATOM 0 HA VAL A 17 6.514 -13.162 0.051 1.00 64.33 H new ATOM 0 HB VAL A 17 4.187 -14.539 -1.383 1.00 45.31 H new ATOM 0 HG11 VAL A 17 3.689 -12.293 -2.339 1.00 35.00 H new ATOM 0 HG12 VAL A 17 3.540 -12.312 -0.565 1.00 35.00 H new ATOM 0 HG13 VAL A 17 4.976 -11.591 -1.330 1.00 35.00 H new ATOM 0 HG21 VAL A 17 5.276 -13.810 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.663 -13.203 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.294 -14.944 -2.582 1.00 0.00 H new ATOM 253 N PRO A 18 4.938 -12.756 2.050 1.00 15.15 N ATOM 254 CA PRO A 18 3.946 -12.437 3.110 1.00 74.55 C ATOM 255 C PRO A 18 2.554 -12.114 2.516 1.00 12.30 C ATOM 256 O PRO A 18 2.468 -11.430 1.483 1.00 25.44 O ATOM 257 CB PRO A 18 4.562 -11.196 3.817 1.00 4.15 C ATOM 258 CG PRO A 18 6.024 -11.254 3.487 1.00 70.12 C ATOM 259 CD PRO A 18 6.087 -11.807 2.083 1.00 4.23 C ATOM 0 HA PRO A 18 3.773 -13.273 3.788 1.00 74.55 H new ATOM 0 HB2 PRO A 18 4.111 -10.271 3.457 1.00 4.15 H new ATOM 0 HB3 PRO A 18 4.398 -11.232 4.894 1.00 4.15 H new ATOM 0 HG2 PRO A 18 6.481 -10.266 3.543 1.00 70.12 H new ATOM 0 HG3 PRO A 18 6.561 -11.893 4.187 1.00 70.12 H new ATOM 0 HD2 PRO A 18 5.985 -11.022 1.334 1.00 4.23 H new ATOM 0 HD3 PRO A 18 7.034 -12.311 1.889 1.00 4.23 H new ATOM 267 N ALA A 19 1.479 -12.619 3.169 1.00 70.22 N ATOM 268 CA ALA A 19 0.080 -12.414 2.726 1.00 1.33 C ATOM 269 C ALA A 19 -0.282 -10.926 2.600 1.00 73.31 C ATOM 270 O ALA A 19 -1.008 -10.541 1.674 1.00 61.10 O ATOM 271 CB ALA A 19 -0.894 -13.117 3.675 1.00 24.21 C ATOM 0 H ALA A 19 1.559 -13.180 4.017 1.00 70.22 H new ATOM 0 HA ALA A 19 -0.006 -12.854 1.733 1.00 1.33 H new ATOM 0 HB1 ALA A 19 -1.916 -12.955 3.333 1.00 24.21 H new ATOM 0 HB2 ALA A 19 -0.681 -14.186 3.689 1.00 24.21 H new ATOM 0 HB3 ALA A 19 -0.779 -12.711 4.680 1.00 24.21 H new ATOM 277 N PHE A 20 0.228 -10.104 3.546 1.00 24.43 N ATOM 278 CA PHE A 20 0.106 -8.633 3.502 1.00 60.04 C ATOM 279 C PHE A 20 0.564 -8.066 2.146 1.00 43.42 C ATOM 280 O PHE A 20 -0.143 -7.264 1.547 1.00 74.10 O ATOM 281 CB PHE A 20 0.929 -7.982 4.655 1.00 74.01 C ATOM 282 CG PHE A 20 0.843 -6.450 4.729 1.00 64.33 C ATOM 283 CD1 PHE A 20 -0.216 -5.822 5.386 1.00 64.51 C ATOM 284 CD2 PHE A 20 1.812 -5.639 4.126 1.00 62.54 C ATOM 285 CE1 PHE A 20 -0.300 -4.444 5.440 1.00 3.20 C ATOM 286 CE2 PHE A 20 1.724 -4.262 4.182 1.00 75.13 C ATOM 287 CZ PHE A 20 0.670 -3.665 4.837 1.00 43.31 C ATOM 0 H PHE A 20 0.736 -10.445 4.362 1.00 24.43 H new ATOM 0 HA PHE A 20 -0.948 -8.389 3.631 1.00 60.04 H new ATOM 0 HB2 PHE A 20 0.588 -8.396 5.604 1.00 74.01 H new ATOM 0 HB3 PHE A 20 1.975 -8.267 4.541 1.00 74.01 H new ATOM 0 HD1 PHE A 20 -0.980 -6.421 5.859 1.00 64.51 H new ATOM 0 HD2 PHE A 20 2.642 -6.098 3.609 1.00 62.54 H new ATOM 0 HE1 PHE A 20 -1.125 -3.974 5.954 1.00 3.20 H new ATOM 0 HE2 PHE A 20 2.482 -3.653 3.712 1.00 75.13 H new ATOM 0 HZ PHE A 20 0.601 -2.588 4.880 1.00 43.31 H new ATOM 297 N LEU A 21 1.734 -8.531 1.664 1.00 70.12 N ATOM 298 CA LEU A 21 2.392 -7.972 0.470 1.00 32.05 C ATOM 299 C LEU A 21 1.774 -8.487 -0.836 1.00 61.01 C ATOM 300 O LEU A 21 1.743 -7.747 -1.817 1.00 71.05 O ATOM 301 CB LEU A 21 3.915 -8.268 0.489 1.00 54.32 C ATOM 302 CG LEU A 21 4.740 -7.555 1.605 1.00 61.30 C ATOM 303 CD1 LEU A 21 6.231 -7.932 1.501 1.00 44.10 C ATOM 304 CD2 LEU A 21 4.546 -6.018 1.556 1.00 41.21 C ATOM 0 H LEU A 21 2.247 -9.302 2.091 1.00 70.12 H new ATOM 0 HA LEU A 21 2.235 -6.894 0.504 1.00 32.05 H new ATOM 0 HB2 LEU A 21 4.054 -9.344 0.594 1.00 54.32 H new ATOM 0 HB3 LEU A 21 4.331 -7.986 -0.478 1.00 54.32 H new ATOM 0 HG LEU A 21 4.369 -7.899 2.570 1.00 61.30 H new ATOM 0 HD11 LEU A 21 6.790 -7.425 2.287 1.00 44.10 H new ATOM 0 HD12 LEU A 21 6.342 -9.010 1.614 1.00 44.10 H new ATOM 0 HD13 LEU A 21 6.616 -7.627 0.528 1.00 44.10 H new ATOM 0 HD21 LEU A 21 5.134 -5.552 2.346 1.00 41.21 H new ATOM 0 HD22 LEU A 21 4.875 -5.640 0.588 1.00 41.21 H new ATOM 0 HD23 LEU A 21 3.492 -5.780 1.699 1.00 41.21 H new ATOM 316 N THR A 22 1.318 -9.760 -0.865 1.00 2.14 N ATOM 317 CA THR A 22 0.682 -10.328 -2.076 1.00 14.14 C ATOM 318 C THR A 22 -0.719 -9.714 -2.311 1.00 3.51 C ATOM 319 O THR A 22 -1.119 -9.505 -3.461 1.00 73.31 O ATOM 320 CB THR A 22 0.608 -11.902 -2.054 1.00 14.44 C ATOM 321 OG1 THR A 22 0.192 -12.399 -3.339 1.00 53.12 O ATOM 322 CG2 THR A 22 -0.342 -12.445 -0.973 1.00 22.21 C ATOM 0 H THR A 22 1.377 -10.405 -0.077 1.00 2.14 H new ATOM 0 HA THR A 22 1.326 -10.059 -2.913 1.00 14.14 H new ATOM 0 HB THR A 22 1.612 -12.253 -1.816 1.00 14.44 H new ATOM 0 HG1 THR A 22 0.151 -13.378 -3.314 1.00 53.12 H new ATOM 0 HG21 THR A 22 -0.349 -13.534 -1.009 1.00 22.21 H new ATOM 0 HG22 THR A 22 -0.001 -12.117 0.009 1.00 22.21 H new ATOM 0 HG23 THR A 22 -1.349 -12.069 -1.152 1.00 22.21 H new ATOM 330 N LYS A 23 -1.451 -9.410 -1.215 1.00 54.00 N ATOM 331 CA LYS A 23 -2.778 -8.774 -1.309 1.00 23.52 C ATOM 332 C LYS A 23 -2.645 -7.259 -1.514 1.00 41.35 C ATOM 333 O LYS A 23 -3.491 -6.661 -2.172 1.00 14.34 O ATOM 334 CB LYS A 23 -3.650 -9.104 -0.072 1.00 63.24 C ATOM 335 CG LYS A 23 -3.882 -10.626 0.135 1.00 4.31 C ATOM 336 CD LYS A 23 -5.099 -10.941 1.035 1.00 21.43 C ATOM 337 CE LYS A 23 -6.434 -10.574 0.360 1.00 1.20 C ATOM 338 NZ LYS A 23 -7.607 -10.891 1.215 1.00 45.32 N ATOM 0 H LYS A 23 -1.144 -9.595 -0.260 1.00 54.00 H new ATOM 0 HA LYS A 23 -3.285 -9.185 -2.182 1.00 23.52 H new ATOM 0 HB2 LYS A 23 -3.174 -8.693 0.818 1.00 63.24 H new ATOM 0 HB3 LYS A 23 -4.615 -8.608 -0.175 1.00 63.24 H new ATOM 0 HG2 LYS A 23 -4.024 -11.100 -0.836 1.00 4.31 H new ATOM 0 HG3 LYS A 23 -2.988 -11.066 0.577 1.00 4.31 H new ATOM 0 HD2 LYS A 23 -5.100 -12.002 1.284 1.00 21.43 H new ATOM 0 HD3 LYS A 23 -5.006 -10.394 1.973 1.00 21.43 H new ATOM 0 HE2 LYS A 23 -6.438 -9.510 0.123 1.00 1.20 H new ATOM 0 HE3 LYS A 23 -6.520 -11.111 -0.584 1.00 1.20 H new ATOM 0 HZ1 LYS A 23 -8.482 -10.738 0.674 1.00 45.32 H new ATOM 0 HZ2 LYS A 23 -7.557 -11.884 1.519 1.00 45.32 H new ATOM 0 HZ3 LYS A 23 -7.604 -10.273 2.051 1.00 45.32 H new ATOM 352 N LEU A 24 -1.586 -6.646 -0.935 1.00 51.21 N ATOM 353 CA LEU A 24 -1.220 -5.237 -1.206 1.00 34.25 C ATOM 354 C LEU A 24 -0.827 -5.056 -2.688 1.00 64.11 C ATOM 355 O LEU A 24 -1.186 -4.057 -3.298 1.00 3.22 O ATOM 356 CB LEU A 24 -0.064 -4.775 -0.274 1.00 43.43 C ATOM 357 CG LEU A 24 0.416 -3.286 -0.415 1.00 72.13 C ATOM 358 CD1 LEU A 24 -0.720 -2.275 -0.112 1.00 75.13 C ATOM 359 CD2 LEU A 24 1.657 -3.024 0.472 1.00 40.15 C ATOM 0 H LEU A 24 -0.966 -7.111 -0.272 1.00 51.21 H new ATOM 0 HA LEU A 24 -2.090 -4.614 -1.000 1.00 34.25 H new ATOM 0 HB2 LEU A 24 -0.377 -4.933 0.758 1.00 43.43 H new ATOM 0 HB3 LEU A 24 0.793 -5.425 -0.450 1.00 43.43 H new ATOM 0 HG LEU A 24 0.703 -3.132 -1.455 1.00 72.13 H new ATOM 0 HD11 LEU A 24 -0.342 -1.259 -0.222 1.00 75.13 H new ATOM 0 HD12 LEU A 24 -1.543 -2.433 -0.809 1.00 75.13 H new ATOM 0 HD13 LEU A 24 -1.075 -2.421 0.908 1.00 75.13 H new ATOM 0 HD21 LEU A 24 1.973 -1.987 0.359 1.00 40.15 H new ATOM 0 HD22 LEU A 24 1.405 -3.215 1.515 1.00 40.15 H new ATOM 0 HD23 LEU A 24 2.468 -3.685 0.167 1.00 40.15 H new ATOM 371 N TRP A 25 -0.099 -6.044 -3.245 1.00 53.34 N ATOM 372 CA TRP A 25 0.271 -6.089 -4.677 1.00 4.34 C ATOM 373 C TRP A 25 -0.987 -6.050 -5.565 1.00 33.35 C ATOM 374 O TRP A 25 -1.100 -5.201 -6.459 1.00 64.25 O ATOM 375 CB TRP A 25 1.094 -7.376 -4.963 1.00 65.42 C ATOM 376 CG TRP A 25 1.582 -7.522 -6.393 1.00 40.53 C ATOM 377 CD1 TRP A 25 0.967 -8.190 -7.422 1.00 14.41 C ATOM 378 CD2 TRP A 25 2.795 -6.988 -6.942 1.00 34.33 C ATOM 379 NE1 TRP A 25 1.720 -8.096 -8.564 1.00 60.30 N ATOM 380 CE2 TRP A 25 2.848 -7.370 -8.296 1.00 10.04 C ATOM 381 CE3 TRP A 25 3.843 -6.225 -6.416 1.00 54.54 C ATOM 382 CZ2 TRP A 25 3.904 -7.015 -9.127 1.00 63.31 C ATOM 383 CZ3 TRP A 25 4.890 -5.875 -7.240 1.00 30.21 C ATOM 384 CH2 TRP A 25 4.913 -6.271 -8.583 1.00 33.30 C ATOM 0 H TRP A 25 0.252 -6.839 -2.712 1.00 53.34 H new ATOM 0 HA TRP A 25 0.879 -5.215 -4.911 1.00 4.34 H new ATOM 0 HB2 TRP A 25 1.957 -7.393 -4.297 1.00 65.42 H new ATOM 0 HB3 TRP A 25 0.482 -8.243 -4.714 1.00 65.42 H new ATOM 0 HD1 TRP A 25 0.026 -8.714 -7.344 1.00 14.41 H new ATOM 0 HE1 TRP A 25 1.478 -8.502 -9.468 1.00 60.30 H new ATOM 0 HE3 TRP A 25 3.831 -5.916 -5.381 1.00 54.54 H new ATOM 0 HZ2 TRP A 25 3.926 -7.316 -10.164 1.00 63.31 H new ATOM 0 HZ3 TRP A 25 5.705 -5.287 -6.845 1.00 30.21 H new ATOM 0 HH2 TRP A 25 5.748 -5.982 -9.204 1.00 33.30 H new ATOM 395 N THR A 26 -1.927 -6.975 -5.272 1.00 24.13 N ATOM 396 CA THR A 26 -3.215 -7.076 -5.970 1.00 3.11 C ATOM 397 C THR A 26 -4.023 -5.767 -5.819 1.00 42.20 C ATOM 398 O THR A 26 -4.602 -5.288 -6.784 1.00 61.23 O ATOM 399 CB THR A 26 -4.042 -8.288 -5.420 1.00 72.11 C ATOM 400 OG1 THR A 26 -3.246 -9.482 -5.498 1.00 34.12 O ATOM 401 CG2 THR A 26 -5.362 -8.514 -6.183 1.00 72.22 C ATOM 0 H THR A 26 -1.807 -7.674 -4.539 1.00 24.13 H new ATOM 0 HA THR A 26 -3.016 -7.239 -7.029 1.00 3.11 H new ATOM 0 HB THR A 26 -4.300 -8.054 -4.387 1.00 72.11 H new ATOM 0 HG1 THR A 26 -2.569 -9.471 -4.789 1.00 34.12 H new ATOM 0 HG21 THR A 26 -5.888 -9.367 -5.755 1.00 72.22 H new ATOM 0 HG22 THR A 26 -5.986 -7.624 -6.102 1.00 72.22 H new ATOM 0 HG23 THR A 26 -5.146 -8.711 -7.233 1.00 72.22 H new ATOM 409 N LEU A 27 -3.988 -5.187 -4.604 1.00 1.24 N ATOM 410 CA LEU A 27 -4.684 -3.937 -4.237 1.00 20.12 C ATOM 411 C LEU A 27 -4.233 -2.740 -5.101 1.00 1.21 C ATOM 412 O LEU A 27 -5.065 -2.039 -5.692 1.00 1.22 O ATOM 413 CB LEU A 27 -4.423 -3.678 -2.722 1.00 72.44 C ATOM 414 CG LEU A 27 -4.905 -2.328 -2.127 1.00 51.30 C ATOM 415 CD1 LEU A 27 -6.391 -2.092 -2.420 1.00 62.05 C ATOM 416 CD2 LEU A 27 -4.606 -2.255 -0.609 1.00 22.34 C ATOM 0 H LEU A 27 -3.460 -5.586 -3.828 1.00 1.24 H new ATOM 0 HA LEU A 27 -5.752 -4.046 -4.425 1.00 20.12 H new ATOM 0 HB2 LEU A 27 -4.897 -4.481 -2.158 1.00 72.44 H new ATOM 0 HB3 LEU A 27 -3.350 -3.757 -2.548 1.00 72.44 H new ATOM 0 HG LEU A 27 -4.347 -1.527 -2.613 1.00 51.30 H new ATOM 0 HD11 LEU A 27 -6.700 -1.139 -1.991 1.00 62.05 H new ATOM 0 HD12 LEU A 27 -6.551 -2.073 -3.498 1.00 62.05 H new ATOM 0 HD13 LEU A 27 -6.981 -2.896 -1.980 1.00 62.05 H new ATOM 0 HD21 LEU A 27 -4.953 -1.300 -0.215 1.00 22.34 H new ATOM 0 HD22 LEU A 27 -5.122 -3.067 -0.097 1.00 22.34 H new ATOM 0 HD23 LEU A 27 -3.532 -2.347 -0.445 1.00 22.34 H new ATOM 428 N VAL A 28 -2.912 -2.532 -5.163 1.00 75.15 N ATOM 429 CA VAL A 28 -2.285 -1.471 -5.971 1.00 24.31 C ATOM 430 C VAL A 28 -2.580 -1.669 -7.482 1.00 34.42 C ATOM 431 O VAL A 28 -2.743 -0.703 -8.229 1.00 42.24 O ATOM 432 CB VAL A 28 -0.727 -1.450 -5.721 1.00 74.51 C ATOM 433 CG1 VAL A 28 -0.006 -0.421 -6.613 1.00 44.33 C ATOM 434 CG2 VAL A 28 -0.402 -1.184 -4.232 1.00 23.35 C ATOM 0 H VAL A 28 -2.239 -3.100 -4.649 1.00 75.15 H new ATOM 0 HA VAL A 28 -2.711 -0.515 -5.665 1.00 24.31 H new ATOM 0 HB VAL A 28 -0.357 -2.439 -5.990 1.00 74.51 H new ATOM 0 HG11 VAL A 28 1.064 -0.444 -6.404 1.00 44.33 H new ATOM 0 HG12 VAL A 28 -0.176 -0.666 -7.661 1.00 44.33 H new ATOM 0 HG13 VAL A 28 -0.395 0.576 -6.405 1.00 44.33 H new ATOM 0 HG21 VAL A 28 0.679 -1.175 -4.091 1.00 23.35 H new ATOM 0 HG22 VAL A 28 -0.814 -0.219 -3.936 1.00 23.35 H new ATOM 0 HG23 VAL A 28 -0.842 -1.970 -3.618 1.00 23.35 H new ATOM 444 N SER A 29 -2.682 -2.941 -7.900 1.00 4.02 N ATOM 445 CA SER A 29 -2.840 -3.332 -9.311 1.00 34.34 C ATOM 446 C SER A 29 -4.336 -3.517 -9.703 1.00 51.34 C ATOM 447 O SER A 29 -4.636 -3.813 -10.863 1.00 23.14 O ATOM 448 CB SER A 29 -2.035 -4.641 -9.548 1.00 11.20 C ATOM 449 OG SER A 29 -2.069 -5.051 -10.902 1.00 43.21 O ATOM 0 H SER A 29 -2.657 -3.736 -7.261 1.00 4.02 H new ATOM 0 HA SER A 29 -2.455 -2.535 -9.947 1.00 34.34 H new ATOM 0 HB2 SER A 29 -1.000 -4.490 -9.242 1.00 11.20 H new ATOM 0 HB3 SER A 29 -2.441 -5.434 -8.920 1.00 11.20 H new ATOM 0 HG SER A 29 -2.897 -4.733 -11.319 1.00 43.21 H new ATOM 455 N ASP A 30 -5.264 -3.341 -8.738 1.00 34.43 N ATOM 456 CA ASP A 30 -6.718 -3.592 -8.946 1.00 11.54 C ATOM 457 C ASP A 30 -7.447 -2.319 -9.471 1.00 23.31 C ATOM 458 O ASP A 30 -7.303 -1.243 -8.878 1.00 75.41 O ATOM 459 CB ASP A 30 -7.354 -4.102 -7.621 1.00 74.01 C ATOM 460 CG ASP A 30 -8.832 -4.494 -7.761 1.00 42.01 C ATOM 461 OD1 ASP A 30 -9.706 -3.622 -7.595 1.00 22.13 O ATOM 462 OD2 ASP A 30 -9.127 -5.678 -8.046 1.00 55.41 O ATOM 0 H ASP A 30 -5.035 -3.023 -7.796 1.00 34.43 H new ATOM 0 HA ASP A 30 -6.834 -4.360 -9.710 1.00 11.54 H new ATOM 0 HB2 ASP A 30 -6.790 -4.964 -7.265 1.00 74.01 H new ATOM 0 HB3 ASP A 30 -7.263 -3.326 -6.861 1.00 74.01 H new ATOM 467 N PRO A 31 -8.273 -2.439 -10.582 1.00 33.33 N ATOM 468 CA PRO A 31 -8.932 -1.276 -11.240 1.00 4.30 C ATOM 469 C PRO A 31 -10.117 -0.674 -10.439 1.00 12.12 C ATOM 470 O PRO A 31 -10.481 0.486 -10.663 1.00 22.04 O ATOM 471 CB PRO A 31 -9.405 -1.863 -12.597 1.00 64.22 C ATOM 472 CG PRO A 31 -9.667 -3.308 -12.303 1.00 34.41 C ATOM 473 CD PRO A 31 -8.605 -3.714 -11.295 1.00 71.33 C ATOM 0 HA PRO A 31 -8.247 -0.433 -11.331 1.00 4.30 H new ATOM 0 HB2 PRO A 31 -10.303 -1.361 -12.956 1.00 64.22 H new ATOM 0 HB3 PRO A 31 -8.644 -1.745 -13.368 1.00 64.22 H new ATOM 0 HG2 PRO A 31 -10.669 -3.451 -11.897 1.00 34.41 H new ATOM 0 HG3 PRO A 31 -9.600 -3.911 -13.208 1.00 34.41 H new ATOM 0 HD2 PRO A 31 -8.978 -4.471 -10.605 1.00 71.33 H new ATOM 0 HD3 PRO A 31 -7.729 -4.136 -11.787 1.00 71.33 H new ATOM 481 N ASP A 32 -10.721 -1.464 -9.524 1.00 51.23 N ATOM 482 CA ASP A 32 -11.866 -1.015 -8.684 1.00 52.02 C ATOM 483 C ASP A 32 -11.368 -0.139 -7.519 1.00 15.21 C ATOM 484 O ASP A 32 -12.004 0.861 -7.158 1.00 50.35 O ATOM 485 CB ASP A 32 -12.657 -2.248 -8.149 1.00 71.33 C ATOM 486 CG ASP A 32 -13.771 -1.899 -7.129 1.00 14.35 C ATOM 487 OD1 ASP A 32 -14.872 -1.475 -7.552 1.00 74.41 O ATOM 488 OD2 ASP A 32 -13.553 -2.062 -5.903 1.00 51.12 O ATOM 0 H ASP A 32 -10.435 -2.426 -9.344 1.00 51.23 H new ATOM 0 HA ASP A 32 -12.537 -0.415 -9.298 1.00 52.02 H new ATOM 0 HB2 ASP A 32 -13.105 -2.771 -8.994 1.00 71.33 H new ATOM 0 HB3 ASP A 32 -11.956 -2.939 -7.681 1.00 71.33 H new ATOM 493 N THR A 33 -10.192 -0.495 -6.978 1.00 13.53 N ATOM 494 CA THR A 33 -9.605 0.179 -5.803 1.00 32.12 C ATOM 495 C THR A 33 -8.665 1.325 -6.227 1.00 23.12 C ATOM 496 O THR A 33 -8.137 2.040 -5.365 1.00 41.14 O ATOM 497 CB THR A 33 -8.838 -0.839 -4.901 1.00 61.34 C ATOM 498 OG1 THR A 33 -7.957 -1.638 -5.700 1.00 14.21 O ATOM 499 CG2 THR A 33 -9.792 -1.768 -4.139 1.00 31.13 C ATOM 0 H THR A 33 -9.620 -1.257 -7.341 1.00 13.53 H new ATOM 0 HA THR A 33 -10.426 0.605 -5.227 1.00 32.12 H new ATOM 0 HB THR A 33 -8.271 -0.257 -4.174 1.00 61.34 H new ATOM 0 HG1 THR A 33 -7.027 -1.416 -5.484 1.00 14.21 H new ATOM 0 HG21 THR A 33 -9.214 -2.459 -3.525 1.00 31.13 H new ATOM 0 HG22 THR A 33 -10.445 -1.174 -3.500 1.00 31.13 H new ATOM 0 HG23 THR A 33 -10.395 -2.332 -4.850 1.00 31.13 H new ATOM 507 N ASP A 34 -8.517 1.510 -7.564 1.00 61.24 N ATOM 508 CA ASP A 34 -7.647 2.540 -8.188 1.00 2.51 C ATOM 509 C ASP A 34 -7.985 3.961 -7.695 1.00 42.13 C ATOM 510 O ASP A 34 -7.111 4.829 -7.657 1.00 73.21 O ATOM 511 CB ASP A 34 -7.749 2.459 -9.757 1.00 54.33 C ATOM 512 CG ASP A 34 -6.431 2.054 -10.457 1.00 71.14 C ATOM 513 OD1 ASP A 34 -5.566 2.928 -10.664 1.00 10.52 O ATOM 514 OD2 ASP A 34 -6.262 0.870 -10.828 1.00 0.42 O ATOM 0 H ASP A 34 -9.008 0.937 -8.251 1.00 61.24 H new ATOM 0 HA ASP A 34 -6.621 2.331 -7.885 1.00 2.51 H new ATOM 0 HB2 ASP A 34 -8.524 1.741 -10.023 1.00 54.33 H new ATOM 0 HB3 ASP A 34 -8.068 3.428 -10.140 1.00 54.33 H new ATOM 519 N ALA A 35 -9.264 4.175 -7.329 1.00 61.22 N ATOM 520 CA ALA A 35 -9.774 5.468 -6.837 1.00 33.35 C ATOM 521 C ALA A 35 -9.066 5.953 -5.548 1.00 64.50 C ATOM 522 O ALA A 35 -8.829 7.156 -5.384 1.00 44.43 O ATOM 523 CB ALA A 35 -11.284 5.359 -6.608 1.00 33.54 C ATOM 0 H ALA A 35 -9.978 3.448 -7.367 1.00 61.22 H new ATOM 0 HA ALA A 35 -9.558 6.216 -7.600 1.00 33.35 H new ATOM 0 HB1 ALA A 35 -11.667 6.313 -6.244 1.00 33.54 H new ATOM 0 HB2 ALA A 35 -11.777 5.105 -7.546 1.00 33.54 H new ATOM 0 HB3 ALA A 35 -11.485 4.582 -5.870 1.00 33.54 H new ATOM 529 N LEU A 36 -8.728 5.012 -4.643 1.00 54.54 N ATOM 530 CA LEU A 36 -8.106 5.337 -3.336 1.00 42.23 C ATOM 531 C LEU A 36 -6.668 4.803 -3.230 1.00 50.20 C ATOM 532 O LEU A 36 -5.998 5.069 -2.233 1.00 63.12 O ATOM 533 CB LEU A 36 -8.973 4.788 -2.168 1.00 40.43 C ATOM 534 CG LEU A 36 -10.427 5.354 -2.060 1.00 22.15 C ATOM 535 CD1 LEU A 36 -11.158 4.749 -0.848 1.00 50.53 C ATOM 536 CD2 LEU A 36 -10.429 6.903 -1.993 1.00 21.34 C ATOM 0 H LEU A 36 -8.875 4.014 -4.792 1.00 54.54 H new ATOM 0 HA LEU A 36 -8.057 6.424 -3.264 1.00 42.23 H new ATOM 0 HB2 LEU A 36 -9.034 3.704 -2.267 1.00 40.43 H new ATOM 0 HB3 LEU A 36 -8.455 4.994 -1.231 1.00 40.43 H new ATOM 0 HG LEU A 36 -10.965 5.065 -2.963 1.00 22.15 H new ATOM 0 HD11 LEU A 36 -12.167 5.156 -0.792 1.00 50.53 H new ATOM 0 HD12 LEU A 36 -11.209 3.666 -0.958 1.00 50.53 H new ATOM 0 HD13 LEU A 36 -10.616 4.996 0.065 1.00 50.53 H new ATOM 0 HD21 LEU A 36 -11.455 7.263 -1.919 1.00 21.34 H new ATOM 0 HD22 LEU A 36 -9.866 7.230 -1.119 1.00 21.34 H new ATOM 0 HD23 LEU A 36 -9.968 7.307 -2.894 1.00 21.34 H new ATOM 548 N ILE A 37 -6.208 4.022 -4.230 1.00 64.14 N ATOM 549 CA ILE A 37 -4.811 3.542 -4.281 1.00 31.44 C ATOM 550 C ILE A 37 -4.429 3.114 -5.712 1.00 35.01 C ATOM 551 O ILE A 37 -5.108 2.293 -6.330 1.00 2.04 O ATOM 552 CB ILE A 37 -4.567 2.370 -3.255 1.00 32.25 C ATOM 553 CG1 ILE A 37 -3.074 1.895 -3.252 1.00 70.42 C ATOM 554 CG2 ILE A 37 -5.542 1.192 -3.495 1.00 74.44 C ATOM 555 CD1 ILE A 37 -2.737 0.870 -2.175 1.00 12.21 C ATOM 0 H ILE A 37 -6.783 3.711 -5.013 1.00 64.14 H new ATOM 0 HA ILE A 37 -4.165 4.371 -3.992 1.00 31.44 H new ATOM 0 HB ILE A 37 -4.775 2.767 -2.261 1.00 32.25 H new ATOM 0 HG12 ILE A 37 -2.840 1.468 -4.227 1.00 70.42 H new ATOM 0 HG13 ILE A 37 -2.430 2.765 -3.122 1.00 70.42 H new ATOM 0 HG21 ILE A 37 -5.345 0.403 -2.770 1.00 74.44 H new ATOM 0 HG22 ILE A 37 -6.569 1.540 -3.382 1.00 74.44 H new ATOM 0 HG23 ILE A 37 -5.400 0.802 -4.503 1.00 74.44 H new ATOM 0 HD11 ILE A 37 -1.684 0.599 -2.248 1.00 12.21 H new ATOM 0 HD12 ILE A 37 -2.935 1.297 -1.192 1.00 12.21 H new ATOM 0 HD13 ILE A 37 -3.351 -0.020 -2.314 1.00 12.21 H new ATOM 567 N CYS A 38 -3.335 3.686 -6.231 1.00 55.45 N ATOM 568 CA CYS A 38 -2.873 3.441 -7.604 1.00 63.45 C ATOM 569 C CYS A 38 -1.330 3.480 -7.664 1.00 44.24 C ATOM 570 O CYS A 38 -0.719 4.264 -6.940 1.00 2.51 O ATOM 571 CB CYS A 38 -3.498 4.521 -8.517 1.00 24.35 C ATOM 572 SG CYS A 38 -3.153 6.220 -7.992 1.00 11.14 S ATOM 0 H CYS A 38 -2.744 4.333 -5.710 1.00 55.45 H new ATOM 0 HA CYS A 38 -3.184 2.453 -7.943 1.00 63.45 H new ATOM 0 HB2 CYS A 38 -3.127 4.383 -9.532 1.00 24.35 H new ATOM 0 HB3 CYS A 38 -4.578 4.374 -8.550 1.00 24.35 H new ATOM 0 HG CYS A 38 -3.715 7.052 -8.818 1.00 11.14 H new ATOM 578 N TRP A 39 -0.701 2.638 -8.533 1.00 14.45 N ATOM 579 CA TRP A 39 0.785 2.613 -8.697 1.00 22.00 C ATOM 580 C TRP A 39 1.281 3.897 -9.372 1.00 64.52 C ATOM 581 O TRP A 39 0.537 4.534 -10.134 1.00 71.11 O ATOM 582 CB TRP A 39 1.296 1.347 -9.485 1.00 44.05 C ATOM 583 CG TRP A 39 0.459 0.900 -10.683 1.00 23.25 C ATOM 584 CD1 TRP A 39 -0.392 -0.177 -10.722 1.00 45.41 C ATOM 585 CD2 TRP A 39 0.406 1.482 -12.010 1.00 60.13 C ATOM 586 NE1 TRP A 39 -0.977 -0.283 -11.960 1.00 42.12 N ATOM 587 CE2 TRP A 39 -0.504 0.718 -12.766 1.00 13.23 C ATOM 588 CE3 TRP A 39 1.026 2.577 -12.627 1.00 51.13 C ATOM 589 CZ2 TRP A 39 -0.806 1.011 -14.095 1.00 44.13 C ATOM 590 CZ3 TRP A 39 0.729 2.866 -13.947 1.00 22.14 C ATOM 591 CH2 TRP A 39 -0.181 2.085 -14.668 1.00 2.21 C ATOM 0 H TRP A 39 -1.195 1.972 -9.127 1.00 14.45 H new ATOM 0 HA TRP A 39 1.204 2.551 -7.692 1.00 22.00 H new ATOM 0 HB2 TRP A 39 2.309 1.549 -9.834 1.00 44.05 H new ATOM 0 HB3 TRP A 39 1.361 0.514 -8.785 1.00 44.05 H new ATOM 0 HD1 TRP A 39 -0.576 -0.847 -9.895 1.00 45.41 H new ATOM 0 HE1 TRP A 39 -1.655 -0.994 -12.235 1.00 42.12 H new ATOM 0 HE3 TRP A 39 1.727 3.188 -12.078 1.00 51.13 H new ATOM 0 HZ2 TRP A 39 -1.509 0.411 -14.653 1.00 44.13 H new ATOM 0 HZ3 TRP A 39 1.207 3.707 -14.428 1.00 22.14 H new ATOM 0 HH2 TRP A 39 -0.394 2.335 -15.697 1.00 2.21 H new ATOM 602 N SER A 40 2.534 4.277 -9.076 1.00 3.14 N ATOM 603 CA SER A 40 3.214 5.383 -9.760 1.00 55.43 C ATOM 604 C SER A 40 3.580 4.950 -11.205 1.00 24.44 C ATOM 605 O SER A 40 3.785 3.752 -11.441 1.00 34.34 O ATOM 606 CB SER A 40 4.483 5.784 -8.963 1.00 24.14 C ATOM 607 OG SER A 40 5.360 4.674 -8.776 1.00 40.35 O ATOM 0 H SER A 40 3.101 3.826 -8.358 1.00 3.14 H new ATOM 0 HA SER A 40 2.554 6.249 -9.815 1.00 55.43 H new ATOM 0 HB2 SER A 40 5.009 6.579 -9.492 1.00 24.14 H new ATOM 0 HB3 SER A 40 4.192 6.186 -7.992 1.00 24.14 H new ATOM 0 HG SER A 40 5.798 4.747 -7.902 1.00 40.35 H new ATOM 613 N PRO A 41 3.634 5.900 -12.201 1.00 41.11 N ATOM 614 CA PRO A 41 4.164 5.604 -13.568 1.00 73.12 C ATOM 615 C PRO A 41 5.571 4.935 -13.562 1.00 73.34 C ATOM 616 O PRO A 41 5.939 4.239 -14.520 1.00 65.33 O ATOM 617 CB PRO A 41 4.180 6.998 -14.245 1.00 72.31 C ATOM 618 CG PRO A 41 3.064 7.743 -13.562 1.00 72.14 C ATOM 619 CD PRO A 41 3.113 7.298 -12.111 1.00 11.51 C ATOM 0 HA PRO A 41 3.552 4.872 -14.095 1.00 73.12 H new ATOM 0 HB2 PRO A 41 5.138 7.499 -14.107 1.00 72.31 H new ATOM 0 HB3 PRO A 41 4.012 6.923 -15.319 1.00 72.31 H new ATOM 0 HG2 PRO A 41 3.201 8.821 -13.647 1.00 72.14 H new ATOM 0 HG3 PRO A 41 2.100 7.507 -14.013 1.00 72.14 H new ATOM 0 HD2 PRO A 41 3.768 7.935 -11.516 1.00 11.51 H new ATOM 0 HD3 PRO A 41 2.128 7.332 -11.646 1.00 11.51 H new ATOM 627 N SER A 42 6.339 5.156 -12.471 1.00 31.44 N ATOM 628 CA SER A 42 7.596 4.433 -12.208 1.00 62.42 C ATOM 629 C SER A 42 7.288 2.962 -11.854 1.00 42.55 C ATOM 630 O SER A 42 7.830 2.030 -12.463 1.00 64.02 O ATOM 631 CB SER A 42 8.371 5.107 -11.048 1.00 54.55 C ATOM 632 OG SER A 42 8.714 6.451 -11.357 1.00 4.51 O ATOM 0 H SER A 42 6.102 5.840 -11.752 1.00 31.44 H new ATOM 0 HA SER A 42 8.215 4.463 -13.105 1.00 62.42 H new ATOM 0 HB2 SER A 42 7.764 5.085 -10.143 1.00 54.55 H new ATOM 0 HB3 SER A 42 9.277 4.539 -10.837 1.00 54.55 H new ATOM 0 HG SER A 42 9.200 6.846 -10.603 1.00 4.51 H new ATOM 638 N GLY A 43 6.385 2.784 -10.870 1.00 2.22 N ATOM 639 CA GLY A 43 5.999 1.462 -10.365 1.00 32.04 C ATOM 640 C GLY A 43 6.838 1.012 -9.169 1.00 3.41 C ATOM 641 O GLY A 43 6.685 -0.111 -8.690 1.00 32.32 O ATOM 0 H GLY A 43 5.906 3.556 -10.406 1.00 2.22 H new ATOM 0 HA2 GLY A 43 4.948 1.481 -10.078 1.00 32.04 H new ATOM 0 HA3 GLY A 43 6.097 0.730 -11.167 1.00 32.04 H new ATOM 645 N ASN A 44 7.712 1.914 -8.680 1.00 50.42 N ATOM 646 CA ASN A 44 8.630 1.645 -7.545 1.00 14.30 C ATOM 647 C ASN A 44 7.930 1.974 -6.210 1.00 61.33 C ATOM 648 O ASN A 44 8.496 1.779 -5.121 1.00 2.21 O ATOM 649 CB ASN A 44 9.930 2.502 -7.671 1.00 60.02 C ATOM 650 CG ASN A 44 10.761 2.244 -8.942 1.00 31.30 C ATOM 651 OD1 ASN A 44 10.229 1.949 -10.013 1.00 72.04 O ATOM 652 ND2 ASN A 44 12.080 2.359 -8.835 1.00 44.53 N ATOM 0 H ASN A 44 7.805 2.856 -9.060 1.00 50.42 H new ATOM 0 HA ASN A 44 8.899 0.589 -7.567 1.00 14.30 H new ATOM 0 HB2 ASN A 44 9.656 3.557 -7.643 1.00 60.02 H new ATOM 0 HB3 ASN A 44 10.558 2.312 -6.800 1.00 60.02 H new ATOM 0 HD21 ASN A 44 12.673 2.202 -9.650 1.00 44.53 H new ATOM 0 HD22 ASN A 44 12.499 2.604 -7.938 1.00 44.53 H new ATOM 659 N SER A 45 6.685 2.470 -6.322 1.00 35.52 N ATOM 660 CA SER A 45 5.930 3.058 -5.220 1.00 41.13 C ATOM 661 C SER A 45 4.437 3.135 -5.602 1.00 71.24 C ATOM 662 O SER A 45 4.075 2.908 -6.767 1.00 21.53 O ATOM 663 CB SER A 45 6.500 4.463 -4.930 1.00 44.24 C ATOM 664 OG SER A 45 6.578 5.251 -6.112 1.00 10.04 O ATOM 0 H SER A 45 6.172 2.469 -7.203 1.00 35.52 H new ATOM 0 HA SER A 45 6.019 2.445 -4.323 1.00 41.13 H new ATOM 0 HB2 SER A 45 5.871 4.967 -4.197 1.00 44.24 H new ATOM 0 HB3 SER A 45 7.492 4.370 -4.488 1.00 44.24 H new ATOM 0 HG SER A 45 6.045 6.066 -5.998 1.00 10.04 H new ATOM 670 N PHE A 46 3.574 3.471 -4.627 1.00 44.34 N ATOM 671 CA PHE A 46 2.121 3.602 -4.864 1.00 24.13 C ATOM 672 C PHE A 46 1.535 4.772 -4.064 1.00 33.12 C ATOM 673 O PHE A 46 1.933 5.017 -2.933 1.00 33.55 O ATOM 674 CB PHE A 46 1.383 2.275 -4.532 1.00 45.51 C ATOM 675 CG PHE A 46 1.568 1.745 -3.100 1.00 50.30 C ATOM 676 CD1 PHE A 46 2.624 0.889 -2.783 1.00 23.01 C ATOM 677 CD2 PHE A 46 0.672 2.080 -2.080 1.00 14.14 C ATOM 678 CE1 PHE A 46 2.779 0.394 -1.502 1.00 41.34 C ATOM 679 CE2 PHE A 46 0.830 1.578 -0.800 1.00 34.11 C ATOM 680 CZ PHE A 46 1.883 0.737 -0.512 1.00 11.53 C ATOM 0 H PHE A 46 3.856 3.658 -3.665 1.00 44.34 H new ATOM 0 HA PHE A 46 1.972 3.814 -5.923 1.00 24.13 H new ATOM 0 HB2 PHE A 46 0.318 2.420 -4.711 1.00 45.51 H new ATOM 0 HB3 PHE A 46 1.722 1.509 -5.229 1.00 45.51 H new ATOM 0 HD1 PHE A 46 3.331 0.609 -3.550 1.00 23.01 H new ATOM 0 HD2 PHE A 46 -0.155 2.740 -2.294 1.00 14.14 H new ATOM 0 HE1 PHE A 46 3.605 -0.264 -1.276 1.00 41.34 H new ATOM 0 HE2 PHE A 46 0.127 1.846 -0.025 1.00 34.11 H new ATOM 0 HZ PHE A 46 2.006 0.347 0.488 1.00 11.53 H new ATOM 690 N HIS A 47 0.565 5.467 -4.668 1.00 64.40 N ATOM 691 CA HIS A 47 -0.116 6.621 -4.071 1.00 63.04 C ATOM 692 C HIS A 47 -1.441 6.169 -3.455 1.00 61.40 C ATOM 693 O HIS A 47 -2.142 5.347 -4.033 1.00 64.42 O ATOM 694 CB HIS A 47 -0.369 7.715 -5.142 1.00 42.13 C ATOM 695 CG HIS A 47 0.885 8.388 -5.638 1.00 34.41 C ATOM 696 ND1 HIS A 47 1.151 9.725 -5.443 1.00 15.50 N ATOM 697 CD2 HIS A 47 1.943 7.901 -6.330 1.00 2.15 C ATOM 698 CE1 HIS A 47 2.309 10.026 -5.986 1.00 13.10 C ATOM 699 NE2 HIS A 47 2.810 8.939 -6.527 1.00 61.13 N ATOM 0 H HIS A 47 0.225 5.239 -5.602 1.00 64.40 H new ATOM 0 HA HIS A 47 0.518 7.044 -3.292 1.00 63.04 H new ATOM 0 HB2 HIS A 47 -0.888 7.267 -5.989 1.00 42.13 H new ATOM 0 HB3 HIS A 47 -1.034 8.471 -4.725 1.00 42.13 H new ATOM 0 HD2 HIS A 47 2.076 6.883 -6.664 1.00 2.15 H new ATOM 0 HE1 HIS A 47 2.771 11.002 -5.987 1.00 13.10 H new ATOM 0 HE2 HIS A 47 3.703 8.879 -7.016 1.00 61.13 H new ATOM 708 N VAL A 48 -1.772 6.725 -2.283 1.00 54.05 N ATOM 709 CA VAL A 48 -3.006 6.434 -1.548 1.00 53.11 C ATOM 710 C VAL A 48 -3.748 7.759 -1.306 1.00 14.32 C ATOM 711 O VAL A 48 -3.138 8.753 -0.882 1.00 10.13 O ATOM 712 CB VAL A 48 -2.715 5.716 -0.175 1.00 4.21 C ATOM 713 CG1 VAL A 48 -4.024 5.419 0.586 1.00 61.23 C ATOM 714 CG2 VAL A 48 -1.892 4.420 -0.378 1.00 41.24 C ATOM 0 H VAL A 48 -1.176 7.404 -1.810 1.00 54.05 H new ATOM 0 HA VAL A 48 -3.618 5.754 -2.140 1.00 53.11 H new ATOM 0 HB VAL A 48 -2.119 6.399 0.430 1.00 4.21 H new ATOM 0 HG11 VAL A 48 -3.792 4.924 1.529 1.00 61.23 H new ATOM 0 HG12 VAL A 48 -4.548 6.353 0.786 1.00 61.23 H new ATOM 0 HG13 VAL A 48 -4.657 4.770 -0.019 1.00 61.23 H new ATOM 0 HG21 VAL A 48 -1.709 3.950 0.588 1.00 41.24 H new ATOM 0 HG22 VAL A 48 -2.447 3.733 -1.016 1.00 41.24 H new ATOM 0 HG23 VAL A 48 -0.940 4.664 -0.849 1.00 41.24 H new ATOM 724 N PHE A 49 -5.057 7.757 -1.591 1.00 35.30 N ATOM 725 CA PHE A 49 -5.933 8.934 -1.482 1.00 72.45 C ATOM 726 C PHE A 49 -6.993 8.691 -0.410 1.00 15.22 C ATOM 727 O PHE A 49 -7.462 7.552 -0.259 1.00 55.14 O ATOM 728 CB PHE A 49 -6.618 9.220 -2.844 1.00 3.11 C ATOM 729 CG PHE A 49 -5.642 9.639 -3.938 1.00 11.51 C ATOM 730 CD1 PHE A 49 -4.900 8.685 -4.644 1.00 21.31 C ATOM 731 CD2 PHE A 49 -5.451 10.984 -4.248 1.00 61.35 C ATOM 732 CE1 PHE A 49 -3.998 9.068 -5.621 1.00 41.14 C ATOM 733 CE2 PHE A 49 -4.556 11.361 -5.227 1.00 15.05 C ATOM 734 CZ PHE A 49 -3.827 10.407 -5.910 1.00 34.22 C ATOM 0 H PHE A 49 -5.547 6.922 -1.910 1.00 35.30 H new ATOM 0 HA PHE A 49 -5.330 9.798 -1.203 1.00 72.45 H new ATOM 0 HB2 PHE A 49 -7.153 8.327 -3.168 1.00 3.11 H new ATOM 0 HB3 PHE A 49 -7.361 10.006 -2.710 1.00 3.11 H new ATOM 0 HD1 PHE A 49 -5.033 7.636 -4.423 1.00 21.31 H new ATOM 0 HD2 PHE A 49 -6.010 11.739 -3.716 1.00 61.35 H new ATOM 0 HE1 PHE A 49 -3.429 8.322 -6.156 1.00 41.14 H new ATOM 0 HE2 PHE A 49 -4.424 12.407 -5.461 1.00 15.05 H new ATOM 0 HZ PHE A 49 -3.123 10.709 -6.671 1.00 34.22 H new ATOM 744 N ASP A 50 -7.385 9.785 0.285 1.00 14.30 N ATOM 745 CA ASP A 50 -8.388 9.768 1.372 1.00 1.14 C ATOM 746 C ASP A 50 -8.077 8.665 2.408 1.00 40.35 C ATOM 747 O ASP A 50 -8.759 7.641 2.433 1.00 22.40 O ATOM 748 CB ASP A 50 -9.834 9.599 0.813 1.00 0.11 C ATOM 749 CG ASP A 50 -10.274 10.746 -0.104 1.00 63.10 C ATOM 750 OD1 ASP A 50 -10.847 11.735 0.402 1.00 22.55 O ATOM 751 OD2 ASP A 50 -10.061 10.665 -1.336 1.00 21.34 O ATOM 0 H ASP A 50 -7.008 10.715 0.103 1.00 14.30 H new ATOM 0 HA ASP A 50 -8.331 10.733 1.875 1.00 1.14 H new ATOM 0 HB2 ASP A 50 -9.894 8.660 0.262 1.00 0.11 H new ATOM 0 HB3 ASP A 50 -10.531 9.524 1.648 1.00 0.11 H new ATOM 756 N GLN A 51 -7.027 8.880 3.224 1.00 31.10 N ATOM 757 CA GLN A 51 -6.543 7.893 4.230 1.00 53.20 C ATOM 758 C GLN A 51 -7.677 7.367 5.146 1.00 32.41 C ATOM 759 O GLN A 51 -7.699 6.185 5.508 1.00 35.41 O ATOM 760 CB GLN A 51 -5.392 8.501 5.090 1.00 72.31 C ATOM 761 CG GLN A 51 -4.072 8.816 4.331 1.00 11.31 C ATOM 762 CD GLN A 51 -3.295 7.582 3.838 1.00 2.35 C ATOM 763 OE1 GLN A 51 -3.858 6.555 3.494 1.00 5.15 O ATOM 764 NE2 GLN A 51 -1.981 7.686 3.789 1.00 25.32 N ATOM 0 H GLN A 51 -6.484 9.743 3.210 1.00 31.10 H new ATOM 0 HA GLN A 51 -6.161 7.039 3.670 1.00 53.20 H new ATOM 0 HB2 GLN A 51 -5.754 9.422 5.548 1.00 72.31 H new ATOM 0 HB3 GLN A 51 -5.166 7.809 5.901 1.00 72.31 H new ATOM 0 HG2 GLN A 51 -4.305 9.446 3.473 1.00 11.31 H new ATOM 0 HG3 GLN A 51 -3.423 9.397 4.986 1.00 11.31 H new ATOM 0 HE21 GLN A 51 -1.527 8.552 4.080 1.00 25.32 H new ATOM 0 HE22 GLN A 51 -1.419 6.901 3.460 1.00 25.32 H new ATOM 773 N GLY A 52 -8.623 8.259 5.475 1.00 35.14 N ATOM 774 CA GLY A 52 -9.786 7.914 6.285 1.00 3.41 C ATOM 775 C GLY A 52 -10.734 6.938 5.581 1.00 52.12 C ATOM 776 O GLY A 52 -11.147 5.934 6.177 1.00 10.24 O ATOM 0 H GLY A 52 -8.598 9.236 5.184 1.00 35.14 H new ATOM 0 HA2 GLY A 52 -9.451 7.474 7.224 1.00 3.41 H new ATOM 0 HA3 GLY A 52 -10.331 8.824 6.536 1.00 3.41 H new ATOM 780 N GLN A 53 -11.059 7.230 4.302 1.00 23.31 N ATOM 781 CA GLN A 53 -12.000 6.414 3.497 1.00 34.13 C ATOM 782 C GLN A 53 -11.378 5.043 3.158 1.00 34.33 C ATOM 783 O GLN A 53 -12.033 4.004 3.266 1.00 53.24 O ATOM 784 CB GLN A 53 -12.372 7.169 2.192 1.00 62.01 C ATOM 785 CG GLN A 53 -13.434 6.468 1.313 1.00 10.44 C ATOM 786 CD GLN A 53 -14.818 6.384 1.959 1.00 42.54 C ATOM 787 OE1 GLN A 53 -15.234 7.271 2.706 1.00 35.51 O ATOM 788 NE2 GLN A 53 -15.535 5.311 1.690 1.00 33.40 N ATOM 0 H GLN A 53 -10.680 8.033 3.800 1.00 23.31 H new ATOM 0 HA GLN A 53 -12.904 6.246 4.083 1.00 34.13 H new ATOM 0 HB2 GLN A 53 -12.738 8.161 2.456 1.00 62.01 H new ATOM 0 HB3 GLN A 53 -11.467 7.309 1.600 1.00 62.01 H new ATOM 0 HG2 GLN A 53 -13.518 7.002 0.367 1.00 10.44 H new ATOM 0 HG3 GLN A 53 -13.091 5.460 1.081 1.00 10.44 H new ATOM 0 HE21 GLN A 53 -15.164 4.593 1.068 1.00 33.40 H new ATOM 0 HE22 GLN A 53 -16.460 5.199 2.104 1.00 33.40 H new ATOM 797 N PHE A 54 -10.098 5.091 2.753 1.00 32.15 N ATOM 798 CA PHE A 54 -9.259 3.922 2.437 1.00 21.15 C ATOM 799 C PHE A 54 -9.212 2.942 3.621 1.00 74.04 C ATOM 800 O PHE A 54 -9.424 1.742 3.452 1.00 34.41 O ATOM 801 CB PHE A 54 -7.835 4.434 2.058 1.00 14.45 C ATOM 802 CG PHE A 54 -6.787 3.356 1.752 1.00 11.34 C ATOM 803 CD1 PHE A 54 -6.628 2.843 0.464 1.00 25.31 C ATOM 804 CD2 PHE A 54 -5.939 2.874 2.754 1.00 23.11 C ATOM 805 CE1 PHE A 54 -5.663 1.886 0.200 1.00 11.33 C ATOM 806 CE2 PHE A 54 -4.979 1.923 2.483 1.00 33.41 C ATOM 807 CZ PHE A 54 -4.842 1.427 1.206 1.00 3.32 C ATOM 0 H PHE A 54 -9.602 5.974 2.632 1.00 32.15 H new ATOM 0 HA PHE A 54 -9.683 3.373 1.596 1.00 21.15 H new ATOM 0 HB2 PHE A 54 -7.925 5.082 1.186 1.00 14.45 H new ATOM 0 HB3 PHE A 54 -7.463 5.051 2.876 1.00 14.45 H new ATOM 0 HD1 PHE A 54 -7.264 3.196 -0.335 1.00 25.31 H new ATOM 0 HD2 PHE A 54 -6.038 3.254 3.760 1.00 23.11 H new ATOM 0 HE1 PHE A 54 -5.553 1.497 -0.801 1.00 11.33 H new ATOM 0 HE2 PHE A 54 -4.334 1.567 3.273 1.00 33.41 H new ATOM 0 HZ PHE A 54 -4.092 0.679 0.994 1.00 3.32 H new ATOM 817 N ALA A 55 -8.935 3.468 4.818 1.00 51.23 N ATOM 818 CA ALA A 55 -8.907 2.659 6.044 1.00 61.21 C ATOM 819 C ALA A 55 -10.282 2.011 6.341 1.00 71.34 C ATOM 820 O ALA A 55 -10.354 0.872 6.802 1.00 71.31 O ATOM 821 CB ALA A 55 -8.444 3.516 7.228 1.00 22.21 C ATOM 0 H ALA A 55 -8.726 4.455 4.966 1.00 51.23 H new ATOM 0 HA ALA A 55 -8.196 1.847 5.892 1.00 61.21 H new ATOM 0 HB1 ALA A 55 -8.426 2.908 8.132 1.00 22.21 H new ATOM 0 HB2 ALA A 55 -7.444 3.900 7.030 1.00 22.21 H new ATOM 0 HB3 ALA A 55 -9.133 4.350 7.365 1.00 22.21 H new ATOM 827 N LYS A 56 -11.354 2.752 6.028 1.00 72.24 N ATOM 828 CA LYS A 56 -12.749 2.357 6.310 1.00 31.22 C ATOM 829 C LYS A 56 -13.237 1.172 5.429 1.00 61.01 C ATOM 830 O LYS A 56 -13.867 0.245 5.951 1.00 40.44 O ATOM 831 CB LYS A 56 -13.663 3.628 6.174 1.00 71.33 C ATOM 832 CG LYS A 56 -15.199 3.383 6.065 1.00 31.22 C ATOM 833 CD LYS A 56 -15.705 3.340 4.597 1.00 23.43 C ATOM 834 CE LYS A 56 -17.188 2.963 4.488 1.00 44.24 C ATOM 835 NZ LYS A 56 -18.074 3.944 5.181 1.00 50.40 N ATOM 0 H LYS A 56 -11.280 3.658 5.564 1.00 72.24 H new ATOM 0 HA LYS A 56 -12.808 1.977 7.330 1.00 31.22 H new ATOM 0 HB2 LYS A 56 -13.482 4.270 7.036 1.00 71.33 H new ATOM 0 HB3 LYS A 56 -13.344 4.182 5.291 1.00 71.33 H new ATOM 0 HG2 LYS A 56 -15.447 2.442 6.556 1.00 31.22 H new ATOM 0 HG3 LYS A 56 -15.726 4.172 6.602 1.00 31.22 H new ATOM 0 HD2 LYS A 56 -15.548 4.315 4.135 1.00 23.43 H new ATOM 0 HD3 LYS A 56 -15.110 2.621 4.034 1.00 23.43 H new ATOM 0 HE2 LYS A 56 -17.469 2.903 3.437 1.00 44.24 H new ATOM 0 HE3 LYS A 56 -17.341 1.972 4.916 1.00 44.24 H new ATOM 0 HZ1 LYS A 56 -19.067 3.657 5.066 1.00 50.40 H new ATOM 0 HZ2 LYS A 56 -17.837 3.971 6.193 1.00 50.40 H new ATOM 0 HZ3 LYS A 56 -17.937 4.888 4.767 1.00 50.40 H new ATOM 849 N GLU A 57 -12.992 1.226 4.097 1.00 34.41 N ATOM 850 CA GLU A 57 -13.528 0.205 3.135 1.00 12.11 C ATOM 851 C GLU A 57 -12.457 -0.770 2.595 1.00 14.44 C ATOM 852 O GLU A 57 -12.735 -1.963 2.422 1.00 51.32 O ATOM 853 CB GLU A 57 -14.247 0.899 1.939 1.00 74.25 C ATOM 854 CG GLU A 57 -13.385 1.940 1.187 1.00 41.32 C ATOM 855 CD GLU A 57 -13.961 2.365 -0.173 1.00 11.44 C ATOM 856 OE1 GLU A 57 -15.021 3.017 -0.198 1.00 41.52 O ATOM 857 OE2 GLU A 57 -13.356 2.041 -1.221 1.00 24.02 O ATOM 0 H GLU A 57 -12.432 1.956 3.657 1.00 34.41 H new ATOM 0 HA GLU A 57 -14.237 -0.391 3.709 1.00 12.11 H new ATOM 0 HB2 GLU A 57 -14.569 0.134 1.232 1.00 74.25 H new ATOM 0 HB3 GLU A 57 -15.147 1.391 2.309 1.00 74.25 H new ATOM 0 HG2 GLU A 57 -13.272 2.824 1.814 1.00 41.32 H new ATOM 0 HG3 GLU A 57 -12.387 1.528 1.035 1.00 41.32 H new ATOM 864 N VAL A 58 -11.242 -0.269 2.347 1.00 24.03 N ATOM 865 CA VAL A 58 -10.203 -1.019 1.612 1.00 75.02 C ATOM 866 C VAL A 58 -9.473 -2.022 2.530 1.00 12.12 C ATOM 867 O VAL A 58 -9.223 -3.175 2.141 1.00 75.54 O ATOM 868 CB VAL A 58 -9.166 -0.032 0.965 1.00 30.13 C ATOM 869 CG1 VAL A 58 -8.025 -0.790 0.271 1.00 73.53 C ATOM 870 CG2 VAL A 58 -9.864 0.953 -0.008 1.00 71.35 C ATOM 0 H VAL A 58 -10.947 0.661 2.645 1.00 24.03 H new ATOM 0 HA VAL A 58 -10.701 -1.582 0.823 1.00 75.02 H new ATOM 0 HB VAL A 58 -8.723 0.555 1.770 1.00 30.13 H new ATOM 0 HG11 VAL A 58 -7.326 -0.076 -0.165 1.00 73.53 H new ATOM 0 HG12 VAL A 58 -7.503 -1.409 1.001 1.00 73.53 H new ATOM 0 HG13 VAL A 58 -8.435 -1.424 -0.516 1.00 73.53 H new ATOM 0 HG21 VAL A 58 -9.122 1.624 -0.441 1.00 71.35 H new ATOM 0 HG22 VAL A 58 -10.354 0.392 -0.804 1.00 71.35 H new ATOM 0 HG23 VAL A 58 -10.607 1.536 0.536 1.00 71.35 H new ATOM 880 N LEU A 59 -9.129 -1.568 3.749 1.00 63.33 N ATOM 881 CA LEU A 59 -8.391 -2.392 4.725 1.00 65.41 C ATOM 882 C LEU A 59 -9.223 -3.599 5.248 1.00 31.13 C ATOM 883 O LEU A 59 -8.663 -4.679 5.351 1.00 71.33 O ATOM 884 CB LEU A 59 -7.826 -1.538 5.897 1.00 10.11 C ATOM 885 CG LEU A 59 -6.772 -0.450 5.510 1.00 13.44 C ATOM 886 CD1 LEU A 59 -6.140 0.177 6.772 1.00 13.01 C ATOM 887 CD2 LEU A 59 -5.696 -1.016 4.553 1.00 54.23 C ATOM 0 H LEU A 59 -9.352 -0.630 4.083 1.00 63.33 H new ATOM 0 HA LEU A 59 -7.542 -2.811 4.185 1.00 65.41 H new ATOM 0 HB2 LEU A 59 -8.661 -1.045 6.396 1.00 10.11 H new ATOM 0 HB3 LEU A 59 -7.373 -2.211 6.625 1.00 10.11 H new ATOM 0 HG LEU A 59 -7.292 0.342 4.971 1.00 13.44 H new ATOM 0 HD11 LEU A 59 -5.410 0.931 6.477 1.00 13.01 H new ATOM 0 HD12 LEU A 59 -6.919 0.643 7.376 1.00 13.01 H new ATOM 0 HD13 LEU A 59 -5.644 -0.599 7.355 1.00 13.01 H new ATOM 0 HD21 LEU A 59 -4.980 -0.232 4.305 1.00 54.23 H new ATOM 0 HD22 LEU A 59 -5.176 -1.842 5.038 1.00 54.23 H new ATOM 0 HD23 LEU A 59 -6.173 -1.373 3.640 1.00 54.23 H new ATOM 899 N PRO A 60 -10.552 -3.469 5.612 1.00 31.11 N ATOM 900 CA PRO A 60 -11.394 -4.656 5.975 1.00 73.43 C ATOM 901 C PRO A 60 -11.664 -5.613 4.786 1.00 11.31 C ATOM 902 O PRO A 60 -12.148 -6.735 4.989 1.00 64.20 O ATOM 903 CB PRO A 60 -12.713 -4.025 6.490 1.00 44.31 C ATOM 904 CG PRO A 60 -12.761 -2.674 5.854 1.00 41.14 C ATOM 905 CD PRO A 60 -11.325 -2.205 5.779 1.00 43.33 C ATOM 0 HA PRO A 60 -10.891 -5.286 6.709 1.00 73.43 H new ATOM 0 HB2 PRO A 60 -13.577 -4.627 6.207 1.00 44.31 H new ATOM 0 HB3 PRO A 60 -12.718 -3.951 7.577 1.00 44.31 H new ATOM 0 HG2 PRO A 60 -13.209 -2.724 4.861 1.00 41.14 H new ATOM 0 HG3 PRO A 60 -13.367 -1.986 6.443 1.00 41.14 H new ATOM 0 HD2 PRO A 60 -11.168 -1.526 4.941 1.00 43.33 H new ATOM 0 HD3 PRO A 60 -11.030 -1.671 6.682 1.00 43.33 H new ATOM 913 N LYS A 61 -11.390 -5.139 3.558 1.00 62.01 N ATOM 914 CA LYS A 61 -11.546 -5.934 2.330 1.00 0.23 C ATOM 915 C LYS A 61 -10.357 -6.899 2.140 1.00 15.22 C ATOM 916 O LYS A 61 -10.544 -8.115 2.044 1.00 12.20 O ATOM 917 CB LYS A 61 -11.684 -4.980 1.117 1.00 53.20 C ATOM 918 CG LYS A 61 -12.029 -5.659 -0.221 1.00 61.33 C ATOM 919 CD LYS A 61 -12.202 -4.625 -1.356 1.00 10.34 C ATOM 920 CE LYS A 61 -12.572 -5.269 -2.693 1.00 53.21 C ATOM 921 NZ LYS A 61 -13.880 -5.973 -2.653 1.00 70.33 N ATOM 0 H LYS A 61 -11.053 -4.191 3.390 1.00 62.01 H new ATOM 0 HA LYS A 61 -12.447 -6.541 2.412 1.00 0.23 H new ATOM 0 HB2 LYS A 61 -12.456 -4.244 1.341 1.00 53.20 H new ATOM 0 HB3 LYS A 61 -10.748 -4.434 0.997 1.00 53.20 H new ATOM 0 HG2 LYS A 61 -11.240 -6.363 -0.486 1.00 61.33 H new ATOM 0 HG3 LYS A 61 -12.947 -6.236 -0.111 1.00 61.33 H new ATOM 0 HD2 LYS A 61 -12.976 -3.911 -1.076 1.00 10.34 H new ATOM 0 HD3 LYS A 61 -11.276 -4.062 -1.473 1.00 10.34 H new ATOM 0 HE2 LYS A 61 -12.602 -4.500 -3.465 1.00 53.21 H new ATOM 0 HE3 LYS A 61 -11.793 -5.976 -2.978 1.00 53.21 H new ATOM 0 HZ1 LYS A 61 -14.135 -6.287 -3.611 1.00 70.33 H new ATOM 0 HZ2 LYS A 61 -13.811 -6.799 -2.025 1.00 70.33 H new ATOM 0 HZ3 LYS A 61 -14.611 -5.326 -2.295 1.00 70.33 H new ATOM 935 N TYR A 62 -9.134 -6.345 2.083 1.00 60.24 N ATOM 936 CA TYR A 62 -7.908 -7.145 1.834 1.00 71.03 C ATOM 937 C TYR A 62 -7.318 -7.729 3.133 1.00 22.12 C ATOM 938 O TYR A 62 -6.643 -8.768 3.104 1.00 31.45 O ATOM 939 CB TYR A 62 -6.850 -6.304 1.069 1.00 41.43 C ATOM 940 CG TYR A 62 -7.230 -6.034 -0.399 1.00 12.35 C ATOM 941 CD1 TYR A 62 -8.170 -5.059 -0.733 1.00 74.43 C ATOM 942 CD2 TYR A 62 -6.666 -6.774 -1.448 1.00 74.32 C ATOM 943 CE1 TYR A 62 -8.529 -4.827 -2.050 1.00 23.11 C ATOM 944 CE2 TYR A 62 -7.023 -6.544 -2.765 1.00 11.30 C ATOM 945 CZ TYR A 62 -7.954 -5.569 -3.062 1.00 34.13 C ATOM 946 OH TYR A 62 -8.310 -5.335 -4.380 1.00 51.13 O ATOM 0 H TYR A 62 -8.961 -5.347 2.205 1.00 60.24 H new ATOM 0 HA TYR A 62 -8.195 -7.991 1.210 1.00 71.03 H new ATOM 0 HB2 TYR A 62 -6.713 -5.352 1.582 1.00 41.43 H new ATOM 0 HB3 TYR A 62 -5.892 -6.824 1.099 1.00 41.43 H new ATOM 0 HD1 TYR A 62 -8.627 -4.473 0.051 1.00 74.43 H new ATOM 0 HD2 TYR A 62 -5.938 -7.539 -1.223 1.00 74.32 H new ATOM 0 HE1 TYR A 62 -9.258 -4.066 -2.285 1.00 23.11 H new ATOM 0 HE2 TYR A 62 -6.575 -7.125 -3.557 1.00 11.30 H new ATOM 0 HH TYR A 62 -7.812 -5.942 -4.966 1.00 51.13 H new ATOM 956 N PHE A 63 -7.574 -7.055 4.260 1.00 20.22 N ATOM 957 CA PHE A 63 -7.033 -7.426 5.592 1.00 35.34 C ATOM 958 C PHE A 63 -8.214 -7.606 6.576 1.00 32.02 C ATOM 959 O PHE A 63 -9.376 -7.467 6.176 1.00 21.44 O ATOM 960 CB PHE A 63 -6.023 -6.325 6.062 1.00 43.42 C ATOM 961 CG PHE A 63 -5.000 -5.950 4.981 1.00 14.01 C ATOM 962 CD1 PHE A 63 -4.045 -6.874 4.556 1.00 21.15 C ATOM 963 CD2 PHE A 63 -5.029 -4.702 4.350 1.00 2.52 C ATOM 964 CE1 PHE A 63 -3.149 -6.563 3.545 1.00 4.05 C ATOM 965 CE2 PHE A 63 -4.137 -4.395 3.333 1.00 41.41 C ATOM 966 CZ PHE A 63 -3.197 -5.326 2.932 1.00 50.52 C ATOM 0 H PHE A 63 -8.168 -6.226 4.283 1.00 20.22 H new ATOM 0 HA PHE A 63 -6.489 -8.369 5.548 1.00 35.34 H new ATOM 0 HB2 PHE A 63 -6.577 -5.433 6.356 1.00 43.42 H new ATOM 0 HB3 PHE A 63 -5.495 -6.678 6.948 1.00 43.42 H new ATOM 0 HD1 PHE A 63 -4.003 -7.847 5.022 1.00 21.15 H new ATOM 0 HD2 PHE A 63 -5.757 -3.966 4.659 1.00 2.52 H new ATOM 0 HE1 PHE A 63 -2.412 -7.289 3.236 1.00 4.05 H new ATOM 0 HE2 PHE A 63 -4.177 -3.428 2.854 1.00 41.41 H new ATOM 0 HZ PHE A 63 -2.502 -5.087 2.141 1.00 50.52 H new ATOM 976 N LYS A 64 -7.932 -7.916 7.860 1.00 62.02 N ATOM 977 CA LYS A 64 -8.982 -8.278 8.856 1.00 20.43 C ATOM 978 C LYS A 64 -9.101 -7.167 9.927 1.00 42.12 C ATOM 979 O LYS A 64 -9.374 -7.440 11.105 1.00 31.04 O ATOM 980 CB LYS A 64 -8.673 -9.665 9.525 1.00 62.10 C ATOM 981 CG LYS A 64 -8.704 -10.897 8.580 1.00 72.40 C ATOM 982 CD LYS A 64 -7.481 -10.984 7.635 1.00 52.03 C ATOM 983 CE LYS A 64 -7.563 -12.167 6.664 1.00 14.31 C ATOM 984 NZ LYS A 64 -7.600 -13.470 7.366 1.00 40.33 N ATOM 0 H LYS A 64 -6.985 -7.925 8.239 1.00 62.02 H new ATOM 0 HA LYS A 64 -9.935 -8.368 8.335 1.00 20.43 H new ATOM 0 HB2 LYS A 64 -7.688 -9.612 9.988 1.00 62.10 H new ATOM 0 HB3 LYS A 64 -9.393 -9.828 10.327 1.00 62.10 H new ATOM 0 HG2 LYS A 64 -8.753 -11.805 9.182 1.00 72.40 H new ATOM 0 HG3 LYS A 64 -9.614 -10.862 7.981 1.00 72.40 H new ATOM 0 HD2 LYS A 64 -7.401 -10.058 7.066 1.00 52.03 H new ATOM 0 HD3 LYS A 64 -6.573 -11.072 8.231 1.00 52.03 H new ATOM 0 HE2 LYS A 64 -8.455 -12.065 6.045 1.00 14.31 H new ATOM 0 HE3 LYS A 64 -6.705 -12.143 5.993 1.00 14.31 H new ATOM 0 HZ1 LYS A 64 -7.553 -14.241 6.670 1.00 40.33 H new ATOM 0 HZ2 LYS A 64 -6.789 -13.538 8.014 1.00 40.33 H new ATOM 0 HZ3 LYS A 64 -8.484 -13.547 7.908 1.00 40.33 H new ATOM 998 N HIS A 65 -8.964 -5.909 9.475 1.00 73.54 N ATOM 999 CA HIS A 65 -8.965 -4.715 10.346 1.00 12.24 C ATOM 1000 C HIS A 65 -9.269 -3.477 9.492 1.00 5.24 C ATOM 1001 O HIS A 65 -9.073 -3.503 8.281 1.00 10.35 O ATOM 1002 CB HIS A 65 -7.591 -4.544 11.067 1.00 33.45 C ATOM 1003 CG HIS A 65 -6.416 -4.306 10.135 1.00 25.32 C ATOM 1004 ND1 HIS A 65 -5.961 -3.046 9.787 1.00 41.42 N ATOM 1005 CD2 HIS A 65 -5.600 -5.178 9.486 1.00 70.14 C ATOM 1006 CE1 HIS A 65 -4.930 -3.162 8.972 1.00 23.34 C ATOM 1007 NE2 HIS A 65 -4.689 -4.441 8.774 1.00 61.41 N ATOM 0 H HIS A 65 -8.848 -5.687 8.486 1.00 73.54 H new ATOM 0 HA HIS A 65 -9.730 -4.837 11.113 1.00 12.24 H new ATOM 0 HB2 HIS A 65 -7.662 -3.708 11.763 1.00 33.45 H new ATOM 0 HB3 HIS A 65 -7.393 -5.437 11.660 1.00 33.45 H new ATOM 0 HD1 HIS A 65 -6.361 -2.165 10.110 1.00 41.42 H new ATOM 0 HD2 HIS A 65 -5.659 -6.256 9.524 1.00 70.14 H new ATOM 0 HE1 HIS A 65 -4.375 -2.343 8.539 1.00 23.34 H new ATOM 1016 N ASN A 66 -9.699 -2.387 10.139 1.00 42.12 N ATOM 1017 CA ASN A 66 -9.959 -1.092 9.464 1.00 43.35 C ATOM 1018 C ASN A 66 -8.883 -0.081 9.890 1.00 2.30 C ATOM 1019 O ASN A 66 -8.593 0.873 9.168 1.00 13.35 O ATOM 1020 CB ASN A 66 -11.371 -0.523 9.798 1.00 44.11 C ATOM 1021 CG ASN A 66 -12.541 -1.443 9.438 1.00 13.35 C ATOM 1022 OD1 ASN A 66 -12.461 -2.668 9.556 1.00 22.01 O ATOM 1023 ND2 ASN A 66 -13.639 -0.858 8.978 1.00 73.21 N ATOM 0 H ASN A 66 -9.879 -2.369 11.143 1.00 42.12 H new ATOM 0 HA ASN A 66 -9.924 -1.262 8.388 1.00 43.35 H new ATOM 0 HB2 ASN A 66 -11.415 -0.305 10.865 1.00 44.11 H new ATOM 0 HB3 ASN A 66 -11.498 0.424 9.273 1.00 44.11 H new ATOM 0 HD21 ASN A 66 -14.445 -1.424 8.712 1.00 73.21 H new ATOM 0 HD22 ASN A 66 -13.677 0.158 8.891 1.00 73.21 H new ATOM 1030 N ASN A 67 -8.310 -0.320 11.088 1.00 33.41 N ATOM 1031 CA ASN A 67 -7.307 0.557 11.720 1.00 21.33 C ATOM 1032 C ASN A 67 -6.068 0.753 10.814 1.00 55.42 C ATOM 1033 O ASN A 67 -5.364 -0.214 10.478 1.00 4.33 O ATOM 1034 CB ASN A 67 -6.913 -0.039 13.100 1.00 44.05 C ATOM 1035 CG ASN A 67 -5.836 0.765 13.839 1.00 44.53 C ATOM 1036 OD1 ASN A 67 -4.651 0.481 13.722 1.00 31.51 O ATOM 1037 ND2 ASN A 67 -6.237 1.774 14.595 1.00 24.55 N ATOM 0 H ASN A 67 -8.536 -1.140 11.650 1.00 33.41 H new ATOM 0 HA ASN A 67 -7.741 1.546 11.866 1.00 21.33 H new ATOM 0 HB2 ASN A 67 -7.803 -0.098 13.727 1.00 44.05 H new ATOM 0 HB3 ASN A 67 -6.556 -1.059 12.956 1.00 44.05 H new ATOM 0 HD21 ASN A 67 -5.552 2.338 15.099 1.00 24.55 H new ATOM 0 HD22 ASN A 67 -7.231 1.988 14.674 1.00 24.55 H new ATOM 1044 N MET A 68 -5.836 2.020 10.432 1.00 15.32 N ATOM 1045 CA MET A 68 -4.731 2.426 9.539 1.00 73.41 C ATOM 1046 C MET A 68 -3.369 2.343 10.246 1.00 60.32 C ATOM 1047 O MET A 68 -2.360 2.040 9.605 1.00 32.24 O ATOM 1048 CB MET A 68 -4.983 3.855 8.968 1.00 73.44 C ATOM 1049 CG MET A 68 -3.775 4.523 8.274 1.00 32.15 C ATOM 1050 SD MET A 68 -4.261 5.690 6.995 1.00 41.32 S ATOM 1051 CE MET A 68 -4.839 4.570 5.719 1.00 13.03 C ATOM 0 H MET A 68 -6.416 2.802 10.737 1.00 15.32 H new ATOM 0 HA MET A 68 -4.703 1.724 8.705 1.00 73.41 H new ATOM 0 HB2 MET A 68 -5.804 3.801 8.254 1.00 73.44 H new ATOM 0 HB3 MET A 68 -5.312 4.499 9.784 1.00 73.44 H new ATOM 0 HG2 MET A 68 -3.173 5.040 9.021 1.00 32.15 H new ATOM 0 HG3 MET A 68 -3.143 3.752 7.834 1.00 32.15 H new ATOM 0 HE1 MET A 68 -5.569 5.080 5.090 1.00 13.03 H new ATOM 0 HE2 MET A 68 -3.996 4.248 5.108 1.00 13.03 H new ATOM 0 HE3 MET A 68 -5.304 3.700 6.182 1.00 13.03 H new ATOM 1061 N ALA A 69 -3.364 2.582 11.571 1.00 44.33 N ATOM 1062 CA ALA A 69 -2.142 2.513 12.398 1.00 23.11 C ATOM 1063 C ALA A 69 -1.451 1.134 12.281 1.00 3.43 C ATOM 1064 O ALA A 69 -0.224 1.055 12.244 1.00 1.25 O ATOM 1065 CB ALA A 69 -2.470 2.837 13.867 1.00 4.44 C ATOM 0 H ALA A 69 -4.202 2.827 12.097 1.00 44.33 H new ATOM 0 HA ALA A 69 -1.443 3.260 12.023 1.00 23.11 H new ATOM 0 HB1 ALA A 69 -1.560 2.782 14.464 1.00 4.44 H new ATOM 0 HB2 ALA A 69 -2.887 3.842 13.934 1.00 4.44 H new ATOM 0 HB3 ALA A 69 -3.196 2.117 14.245 1.00 4.44 H new ATOM 1071 N SER A 70 -2.269 0.066 12.194 1.00 40.13 N ATOM 1072 CA SER A 70 -1.805 -1.320 12.003 1.00 64.31 C ATOM 1073 C SER A 70 -1.149 -1.507 10.616 1.00 31.42 C ATOM 1074 O SER A 70 -0.067 -2.091 10.508 1.00 34.41 O ATOM 1075 CB SER A 70 -3.005 -2.282 12.161 1.00 55.31 C ATOM 1076 OG SER A 70 -2.614 -3.645 12.037 1.00 42.31 O ATOM 0 H SER A 70 -3.284 0.145 12.255 1.00 40.13 H new ATOM 0 HA SER A 70 -1.050 -1.543 12.757 1.00 64.31 H new ATOM 0 HB2 SER A 70 -3.470 -2.125 13.134 1.00 55.31 H new ATOM 0 HB3 SER A 70 -3.757 -2.050 11.407 1.00 55.31 H new ATOM 0 HG SER A 70 -3.399 -4.222 12.144 1.00 42.31 H new ATOM 1082 N PHE A 71 -1.813 -0.959 9.573 1.00 51.31 N ATOM 1083 CA PHE A 71 -1.399 -1.083 8.154 1.00 64.03 C ATOM 1084 C PHE A 71 -0.041 -0.398 7.908 1.00 32.41 C ATOM 1085 O PHE A 71 0.892 -1.011 7.375 1.00 63.40 O ATOM 1086 CB PHE A 71 -2.511 -0.458 7.258 1.00 63.41 C ATOM 1087 CG PHE A 71 -2.194 -0.355 5.758 1.00 41.54 C ATOM 1088 CD1 PHE A 71 -2.156 -1.493 4.953 1.00 10.50 C ATOM 1089 CD2 PHE A 71 -1.953 0.885 5.150 1.00 11.34 C ATOM 1090 CE1 PHE A 71 -1.888 -1.400 3.597 1.00 24.35 C ATOM 1091 CE2 PHE A 71 -1.684 0.973 3.793 1.00 23.13 C ATOM 1092 CZ PHE A 71 -1.651 -0.169 3.019 1.00 44.45 C ATOM 0 H PHE A 71 -2.664 -0.410 9.694 1.00 51.31 H new ATOM 0 HA PHE A 71 -1.273 -2.136 7.902 1.00 64.03 H new ATOM 0 HB2 PHE A 71 -3.419 -1.049 7.377 1.00 63.41 H new ATOM 0 HB3 PHE A 71 -2.730 0.542 7.632 1.00 63.41 H new ATOM 0 HD1 PHE A 71 -2.338 -2.462 5.394 1.00 10.50 H new ATOM 0 HD2 PHE A 71 -1.977 1.784 5.747 1.00 11.34 H new ATOM 0 HE1 PHE A 71 -1.864 -2.293 2.990 1.00 24.35 H new ATOM 0 HE2 PHE A 71 -1.500 1.936 3.341 1.00 23.13 H new ATOM 0 HZ PHE A 71 -1.440 -0.100 1.962 1.00 44.45 H new ATOM 1102 N VAL A 72 0.045 0.878 8.315 1.00 64.15 N ATOM 1103 CA VAL A 72 1.267 1.689 8.198 1.00 2.24 C ATOM 1104 C VAL A 72 2.399 1.133 9.100 1.00 55.25 C ATOM 1105 O VAL A 72 3.567 1.222 8.730 1.00 30.23 O ATOM 1106 CB VAL A 72 0.958 3.199 8.522 1.00 51.44 C ATOM 1107 CG1 VAL A 72 2.219 4.094 8.424 1.00 14.51 C ATOM 1108 CG2 VAL A 72 -0.166 3.736 7.598 1.00 34.21 C ATOM 0 H VAL A 72 -0.737 1.379 8.737 1.00 64.15 H new ATOM 0 HA VAL A 72 1.619 1.631 7.168 1.00 2.24 H new ATOM 0 HB VAL A 72 0.617 3.241 9.556 1.00 51.44 H new ATOM 0 HG11 VAL A 72 1.952 5.125 8.656 1.00 14.51 H new ATOM 0 HG12 VAL A 72 2.969 3.745 9.133 1.00 14.51 H new ATOM 0 HG13 VAL A 72 2.624 4.043 7.413 1.00 14.51 H new ATOM 0 HG21 VAL A 72 -0.365 4.781 7.837 1.00 34.21 H new ATOM 0 HG22 VAL A 72 0.149 3.655 6.558 1.00 34.21 H new ATOM 0 HG23 VAL A 72 -1.072 3.150 7.749 1.00 34.21 H new ATOM 1118 N ARG A 73 2.039 0.519 10.258 1.00 12.31 N ATOM 1119 CA ARG A 73 3.017 -0.176 11.140 1.00 10.44 C ATOM 1120 C ARG A 73 3.715 -1.329 10.398 1.00 44.33 C ATOM 1121 O ARG A 73 4.929 -1.530 10.553 1.00 11.45 O ATOM 1122 CB ARG A 73 2.326 -0.714 12.424 1.00 63.53 C ATOM 1123 CG ARG A 73 3.241 -1.515 13.386 1.00 10.51 C ATOM 1124 CD ARG A 73 2.524 -1.959 14.675 1.00 2.25 C ATOM 1125 NE ARG A 73 3.402 -2.774 15.552 1.00 73.44 N ATOM 1126 CZ ARG A 73 3.290 -2.872 16.892 1.00 41.34 C ATOM 1127 NH1 ARG A 73 2.341 -2.210 17.552 1.00 14.22 N ATOM 1128 NH2 ARG A 73 4.131 -3.655 17.565 1.00 51.14 N ATOM 0 H ARG A 73 1.080 0.491 10.603 1.00 12.31 H new ATOM 0 HA ARG A 73 3.771 0.556 11.429 1.00 10.44 H new ATOM 0 HB2 ARG A 73 1.904 0.130 12.970 1.00 63.53 H new ATOM 0 HB3 ARG A 73 1.493 -1.351 12.128 1.00 63.53 H new ATOM 0 HG2 ARG A 73 3.621 -2.395 12.867 1.00 10.51 H new ATOM 0 HG3 ARG A 73 4.104 -0.904 13.650 1.00 10.51 H new ATOM 0 HD2 ARG A 73 2.184 -1.079 15.221 1.00 2.25 H new ATOM 0 HD3 ARG A 73 1.636 -2.536 14.415 1.00 2.25 H new ATOM 0 HE ARG A 73 4.151 -3.303 15.104 1.00 73.44 H new ATOM 0 HH11 ARG A 73 1.685 -1.618 17.043 1.00 14.22 H new ATOM 0 HH12 ARG A 73 2.271 -2.296 18.566 1.00 14.22 H new ATOM 0 HH21 ARG A 73 4.853 -4.175 17.067 1.00 51.14 H new ATOM 0 HH22 ARG A 73 4.053 -3.735 18.579 1.00 51.14 H new ATOM 1142 N GLN A 74 2.931 -2.067 9.576 1.00 22.33 N ATOM 1143 CA GLN A 74 3.464 -3.168 8.756 1.00 71.44 C ATOM 1144 C GLN A 74 4.442 -2.615 7.711 1.00 72.15 C ATOM 1145 O GLN A 74 5.549 -3.136 7.567 1.00 61.21 O ATOM 1146 CB GLN A 74 2.340 -3.973 8.051 1.00 75.05 C ATOM 1147 CG GLN A 74 1.250 -4.559 8.970 1.00 2.22 C ATOM 1148 CD GLN A 74 1.802 -5.297 10.184 1.00 3.44 C ATOM 1149 OE1 GLN A 74 2.074 -6.498 10.138 1.00 3.51 O ATOM 1150 NE2 GLN A 74 1.953 -4.585 11.289 1.00 22.34 N ATOM 0 H GLN A 74 1.928 -1.915 9.467 1.00 22.33 H new ATOM 0 HA GLN A 74 3.984 -3.851 9.427 1.00 71.44 H new ATOM 0 HB2 GLN A 74 1.860 -3.324 7.319 1.00 75.05 H new ATOM 0 HB3 GLN A 74 2.799 -4.792 7.497 1.00 75.05 H new ATOM 0 HG2 GLN A 74 0.602 -3.751 9.311 1.00 2.22 H new ATOM 0 HG3 GLN A 74 0.629 -5.243 8.392 1.00 2.22 H new ATOM 0 HE21 GLN A 74 1.718 -3.592 11.292 1.00 22.34 H new ATOM 0 HE22 GLN A 74 2.304 -5.029 12.138 1.00 22.34 H new ATOM 1159 N LEU A 75 4.028 -1.519 7.028 1.00 22.42 N ATOM 1160 CA LEU A 75 4.836 -0.840 6.000 1.00 12.40 C ATOM 1161 C LEU A 75 6.196 -0.383 6.568 1.00 13.15 C ATOM 1162 O LEU A 75 7.227 -0.610 5.942 1.00 12.25 O ATOM 1163 CB LEU A 75 4.047 0.373 5.421 1.00 25.30 C ATOM 1164 CG LEU A 75 2.721 0.034 4.659 1.00 4.14 C ATOM 1165 CD1 LEU A 75 1.988 1.319 4.220 1.00 54.24 C ATOM 1166 CD2 LEU A 75 2.990 -0.897 3.452 1.00 61.15 C ATOM 0 H LEU A 75 3.118 -1.084 7.180 1.00 22.42 H new ATOM 0 HA LEU A 75 5.036 -1.549 5.197 1.00 12.40 H new ATOM 0 HB2 LEU A 75 3.808 1.049 6.242 1.00 25.30 H new ATOM 0 HB3 LEU A 75 4.704 0.916 4.741 1.00 25.30 H new ATOM 0 HG LEU A 75 2.069 -0.501 5.350 1.00 4.14 H new ATOM 0 HD11 LEU A 75 1.071 1.053 3.694 1.00 54.24 H new ATOM 0 HD12 LEU A 75 1.742 1.916 5.098 1.00 54.24 H new ATOM 0 HD13 LEU A 75 2.632 1.897 3.557 1.00 54.24 H new ATOM 0 HD21 LEU A 75 2.051 -1.114 2.944 1.00 61.15 H new ATOM 0 HD22 LEU A 75 3.673 -0.406 2.759 1.00 61.15 H new ATOM 0 HD23 LEU A 75 3.436 -1.828 3.803 1.00 61.15 H new ATOM 1178 N ASN A 76 6.172 0.225 7.773 1.00 31.02 N ATOM 1179 CA ASN A 76 7.391 0.658 8.498 1.00 44.23 C ATOM 1180 C ASN A 76 8.379 -0.504 8.707 1.00 44.23 C ATOM 1181 O ASN A 76 9.587 -0.345 8.504 1.00 74.51 O ATOM 1182 CB ASN A 76 7.038 1.298 9.873 1.00 3.31 C ATOM 1183 CG ASN A 76 6.132 2.538 9.787 1.00 50.14 C ATOM 1184 OD1 ASN A 76 5.346 2.807 10.698 1.00 73.42 O ATOM 1185 ND2 ASN A 76 6.236 3.317 8.714 1.00 74.23 N ATOM 0 H ASN A 76 5.307 0.431 8.273 1.00 31.02 H new ATOM 0 HA ASN A 76 7.872 1.409 7.872 1.00 44.23 H new ATOM 0 HB2 ASN A 76 6.547 0.548 10.493 1.00 3.31 H new ATOM 0 HB3 ASN A 76 7.963 1.574 10.379 1.00 3.31 H new ATOM 0 HD21 ASN A 76 5.659 4.155 8.634 1.00 74.23 H new ATOM 0 HD22 ASN A 76 6.892 3.077 7.971 1.00 74.23 H new ATOM 1192 N MET A 77 7.838 -1.681 9.078 1.00 41.42 N ATOM 1193 CA MET A 77 8.645 -2.902 9.292 1.00 55.25 C ATOM 1194 C MET A 77 9.123 -3.503 7.958 1.00 71.13 C ATOM 1195 O MET A 77 10.158 -4.161 7.909 1.00 12.41 O ATOM 1196 CB MET A 77 7.845 -3.959 10.086 1.00 45.44 C ATOM 1197 CG MET A 77 7.448 -3.536 11.500 1.00 4.44 C ATOM 1198 SD MET A 77 6.666 -4.874 12.429 1.00 54.11 S ATOM 1199 CE MET A 77 5.300 -5.324 11.354 1.00 31.23 C ATOM 0 H MET A 77 6.839 -1.814 9.237 1.00 41.42 H new ATOM 0 HA MET A 77 9.522 -2.612 9.871 1.00 55.25 H new ATOM 0 HB2 MET A 77 6.941 -4.204 9.528 1.00 45.44 H new ATOM 0 HB3 MET A 77 8.438 -4.871 10.148 1.00 45.44 H new ATOM 0 HG2 MET A 77 8.334 -3.195 12.036 1.00 4.44 H new ATOM 0 HG3 MET A 77 6.764 -2.689 11.444 1.00 4.44 H new ATOM 0 HE1 MET A 77 4.713 -6.114 11.823 1.00 31.23 H new ATOM 0 HE2 MET A 77 4.667 -4.453 11.186 1.00 31.23 H new ATOM 0 HE3 MET A 77 5.690 -5.679 10.400 1.00 31.23 H new ATOM 1209 N TYR A 78 8.363 -3.273 6.880 1.00 33.53 N ATOM 1210 CA TYR A 78 8.733 -3.745 5.532 1.00 31.31 C ATOM 1211 C TYR A 78 9.676 -2.747 4.831 1.00 62.14 C ATOM 1212 O TYR A 78 10.196 -3.049 3.763 1.00 1.53 O ATOM 1213 CB TYR A 78 7.462 -4.030 4.676 1.00 51.22 C ATOM 1214 CG TYR A 78 6.742 -5.340 5.037 1.00 13.32 C ATOM 1215 CD1 TYR A 78 7.387 -6.565 4.878 1.00 45.13 C ATOM 1216 CD2 TYR A 78 5.431 -5.359 5.521 1.00 11.22 C ATOM 1217 CE1 TYR A 78 6.760 -7.752 5.194 1.00 31.22 C ATOM 1218 CE2 TYR A 78 4.802 -6.546 5.837 1.00 61.41 C ATOM 1219 CZ TYR A 78 5.470 -7.735 5.672 1.00 71.04 C ATOM 1220 OH TYR A 78 4.850 -8.915 6.001 1.00 54.31 O ATOM 0 H TYR A 78 7.482 -2.760 6.912 1.00 33.53 H new ATOM 0 HA TYR A 78 9.277 -4.683 5.640 1.00 31.31 H new ATOM 0 HB2 TYR A 78 6.765 -3.201 4.793 1.00 51.22 H new ATOM 0 HB3 TYR A 78 7.745 -4.062 3.624 1.00 51.22 H new ATOM 0 HD1 TYR A 78 8.398 -6.585 4.500 1.00 45.13 H new ATOM 0 HD2 TYR A 78 4.900 -4.427 5.650 1.00 11.22 H new ATOM 0 HE1 TYR A 78 7.279 -8.690 5.067 1.00 31.22 H new ATOM 0 HE2 TYR A 78 3.789 -6.540 6.212 1.00 61.41 H new ATOM 0 HH TYR A 78 3.943 -8.729 6.324 1.00 54.31 H new ATOM 1230 N GLY A 79 9.902 -1.567 5.452 1.00 10.05 N ATOM 1231 CA GLY A 79 10.846 -0.564 4.937 1.00 32.31 C ATOM 1232 C GLY A 79 10.235 0.396 3.917 1.00 22.11 C ATOM 1233 O GLY A 79 10.973 1.036 3.155 1.00 3.51 O ATOM 0 H GLY A 79 9.437 -1.290 6.316 1.00 10.05 H new ATOM 0 HA2 GLY A 79 11.240 0.013 5.774 1.00 32.31 H new ATOM 0 HA3 GLY A 79 11.691 -1.077 4.478 1.00 32.31 H new ATOM 1237 N PHE A 80 8.887 0.476 3.875 1.00 24.31 N ATOM 1238 CA PHE A 80 8.165 1.460 3.040 1.00 41.43 C ATOM 1239 C PHE A 80 8.211 2.823 3.750 1.00 64.22 C ATOM 1240 O PHE A 80 8.015 2.897 4.971 1.00 22.04 O ATOM 1241 CB PHE A 80 6.684 1.046 2.796 1.00 10.12 C ATOM 1242 CG PHE A 80 6.470 -0.162 1.871 1.00 2.44 C ATOM 1243 CD1 PHE A 80 6.756 -1.460 2.296 1.00 73.02 C ATOM 1244 CD2 PHE A 80 5.959 0.000 0.576 1.00 61.12 C ATOM 1245 CE1 PHE A 80 6.543 -2.552 1.463 1.00 54.02 C ATOM 1246 CE2 PHE A 80 5.752 -1.095 -0.252 1.00 11.34 C ATOM 1247 CZ PHE A 80 6.043 -2.367 0.192 1.00 15.43 C ATOM 0 H PHE A 80 8.273 -0.135 4.414 1.00 24.31 H new ATOM 0 HA PHE A 80 8.650 1.510 2.065 1.00 41.43 H new ATOM 0 HB2 PHE A 80 6.224 0.827 3.760 1.00 10.12 H new ATOM 0 HB3 PHE A 80 6.153 1.900 2.376 1.00 10.12 H new ATOM 0 HD1 PHE A 80 7.150 -1.619 3.289 1.00 73.02 H new ATOM 0 HD2 PHE A 80 5.723 0.991 0.217 1.00 61.12 H new ATOM 0 HE1 PHE A 80 6.770 -3.548 1.813 1.00 54.02 H new ATOM 0 HE2 PHE A 80 5.361 -0.950 -1.248 1.00 11.34 H new ATOM 0 HZ PHE A 80 5.880 -3.217 -0.454 1.00 15.43 H new ATOM 1257 N ARG A 81 8.457 3.885 2.982 1.00 54.35 N ATOM 1258 CA ARG A 81 8.635 5.239 3.514 1.00 73.43 C ATOM 1259 C ARG A 81 7.405 6.095 3.165 1.00 52.24 C ATOM 1260 O ARG A 81 6.964 6.100 2.011 1.00 34.13 O ATOM 1261 CB ARG A 81 9.930 5.856 2.922 1.00 10.44 C ATOM 1262 CG ARG A 81 10.321 7.232 3.503 1.00 34.23 C ATOM 1263 CD ARG A 81 11.659 7.753 2.949 1.00 22.44 C ATOM 1264 NE ARG A 81 12.747 6.766 3.111 1.00 60.03 N ATOM 1265 CZ ARG A 81 14.006 7.031 3.491 1.00 23.24 C ATOM 1266 NH1 ARG A 81 14.396 8.275 3.776 1.00 45.45 N ATOM 1267 NH2 ARG A 81 14.875 6.029 3.579 1.00 13.14 N ATOM 0 H ARG A 81 8.539 3.831 1.967 1.00 54.35 H new ATOM 0 HA ARG A 81 8.731 5.205 4.599 1.00 73.43 H new ATOM 0 HB2 ARG A 81 10.754 5.161 3.087 1.00 10.44 H new ATOM 0 HB3 ARG A 81 9.807 5.955 1.843 1.00 10.44 H new ATOM 0 HG2 ARG A 81 9.535 7.953 3.279 1.00 34.23 H new ATOM 0 HG3 ARG A 81 10.386 7.158 4.589 1.00 34.23 H new ATOM 0 HD2 ARG A 81 11.544 7.996 1.893 1.00 22.44 H new ATOM 0 HD3 ARG A 81 11.928 8.677 3.461 1.00 22.44 H new ATOM 0 HE ARG A 81 12.519 5.791 2.915 1.00 60.03 H new ATOM 0 HH11 ARG A 81 13.732 9.046 3.707 1.00 45.45 H new ATOM 0 HH12 ARG A 81 15.358 8.455 4.063 1.00 45.45 H new ATOM 0 HH21 ARG A 81 14.580 5.078 3.359 1.00 13.14 H new ATOM 0 HH22 ARG A 81 15.837 6.212 3.866 1.00 13.14 H new ATOM 1281 N LYS A 82 6.856 6.789 4.181 1.00 21.44 N ATOM 1282 CA LYS A 82 5.754 7.755 4.020 1.00 72.44 C ATOM 1283 C LYS A 82 6.245 8.957 3.188 1.00 73.12 C ATOM 1284 O LYS A 82 7.270 9.561 3.517 1.00 70.13 O ATOM 1285 CB LYS A 82 5.280 8.213 5.436 1.00 62.32 C ATOM 1286 CG LYS A 82 4.305 9.417 5.477 1.00 55.15 C ATOM 1287 CD LYS A 82 2.938 9.122 4.824 1.00 54.04 C ATOM 1288 CE LYS A 82 2.004 10.344 4.845 1.00 33.45 C ATOM 1289 NZ LYS A 82 1.676 10.784 6.225 1.00 14.23 N ATOM 0 H LYS A 82 7.169 6.693 5.147 1.00 21.44 H new ATOM 0 HA LYS A 82 4.916 7.296 3.496 1.00 72.44 H new ATOM 0 HB2 LYS A 82 4.799 7.367 5.926 1.00 62.32 H new ATOM 0 HB3 LYS A 82 6.161 8.465 6.027 1.00 62.32 H new ATOM 0 HG2 LYS A 82 4.147 9.712 6.514 1.00 55.15 H new ATOM 0 HG3 LYS A 82 4.766 10.265 4.971 1.00 55.15 H new ATOM 0 HD2 LYS A 82 3.092 8.803 3.793 1.00 54.04 H new ATOM 0 HD3 LYS A 82 2.460 8.293 5.346 1.00 54.04 H new ATOM 0 HE2 LYS A 82 2.475 11.167 4.307 1.00 33.45 H new ATOM 0 HE3 LYS A 82 1.083 10.102 4.315 1.00 33.45 H new ATOM 0 HZ1 LYS A 82 0.954 11.532 6.189 1.00 14.23 H new ATOM 0 HZ2 LYS A 82 1.311 9.976 6.769 1.00 14.23 H new ATOM 0 HZ3 LYS A 82 2.533 11.153 6.685 1.00 14.23 H new ATOM 1303 N VAL A 83 5.528 9.261 2.098 1.00 4.14 N ATOM 1304 CA VAL A 83 5.802 10.407 1.222 1.00 52.02 C ATOM 1305 C VAL A 83 4.601 11.357 1.302 1.00 24.02 C ATOM 1306 O VAL A 83 3.486 11.004 0.892 1.00 15.34 O ATOM 1307 CB VAL A 83 6.025 9.954 -0.267 1.00 25.14 C ATOM 1308 CG1 VAL A 83 6.371 11.151 -1.186 1.00 22.05 C ATOM 1309 CG2 VAL A 83 7.092 8.840 -0.350 1.00 73.22 C ATOM 0 H VAL A 83 4.727 8.707 1.795 1.00 4.14 H new ATOM 0 HA VAL A 83 6.715 10.902 1.551 1.00 52.02 H new ATOM 0 HB VAL A 83 5.085 9.540 -0.632 1.00 25.14 H new ATOM 0 HG11 VAL A 83 6.518 10.796 -2.206 1.00 22.05 H new ATOM 0 HG12 VAL A 83 5.554 11.873 -1.167 1.00 22.05 H new ATOM 0 HG13 VAL A 83 7.285 11.628 -0.833 1.00 22.05 H new ATOM 0 HG21 VAL A 83 7.228 8.544 -1.390 1.00 73.22 H new ATOM 0 HG22 VAL A 83 8.036 9.210 0.049 1.00 73.22 H new ATOM 0 HG23 VAL A 83 6.765 7.979 0.233 1.00 73.22 H new ATOM 1319 N VAL A 84 4.838 12.539 1.863 1.00 23.23 N ATOM 1320 CA VAL A 84 3.807 13.564 2.074 1.00 65.31 C ATOM 1321 C VAL A 84 3.649 14.448 0.826 1.00 24.30 C ATOM 1322 O VAL A 84 4.636 14.773 0.155 1.00 73.23 O ATOM 1323 CB VAL A 84 4.168 14.441 3.331 1.00 43.12 C ATOM 1324 CG1 VAL A 84 3.202 15.635 3.513 1.00 70.41 C ATOM 1325 CG2 VAL A 84 4.217 13.567 4.610 1.00 55.04 C ATOM 0 H VAL A 84 5.762 12.821 2.190 1.00 23.23 H new ATOM 0 HA VAL A 84 2.855 13.065 2.255 1.00 65.31 H new ATOM 0 HB VAL A 84 5.159 14.861 3.157 1.00 43.12 H new ATOM 0 HG11 VAL A 84 3.494 16.208 4.393 1.00 70.41 H new ATOM 0 HG12 VAL A 84 3.245 16.276 2.632 1.00 70.41 H new ATOM 0 HG13 VAL A 84 2.185 15.264 3.642 1.00 70.41 H new ATOM 0 HG21 VAL A 84 4.468 14.191 5.468 1.00 55.04 H new ATOM 0 HG22 VAL A 84 3.244 13.103 4.771 1.00 55.04 H new ATOM 0 HG23 VAL A 84 4.974 12.791 4.492 1.00 55.04 H new ATOM 1335 N HIS A 85 2.391 14.795 0.498 1.00 73.35 N ATOM 1336 CA HIS A 85 2.064 15.773 -0.562 1.00 44.45 C ATOM 1337 C HIS A 85 1.059 16.776 0.011 1.00 64.12 C ATOM 1338 O HIS A 85 1.333 17.978 0.103 1.00 3.41 O ATOM 1339 CB HIS A 85 1.460 15.079 -1.815 1.00 20.14 C ATOM 1340 CG HIS A 85 2.267 13.926 -2.338 1.00 74.52 C ATOM 1341 ND1 HIS A 85 1.863 12.611 -2.227 1.00 54.35 N ATOM 1342 CD2 HIS A 85 3.464 13.892 -2.970 1.00 45.41 C ATOM 1343 CE1 HIS A 85 2.772 11.831 -2.762 1.00 44.44 C ATOM 1344 NE2 HIS A 85 3.748 12.579 -3.218 1.00 45.43 N ATOM 0 H HIS A 85 1.569 14.406 0.960 1.00 73.35 H new ATOM 0 HA HIS A 85 2.978 16.275 -0.878 1.00 44.45 H new ATOM 0 HB2 HIS A 85 0.459 14.724 -1.571 1.00 20.14 H new ATOM 0 HB3 HIS A 85 1.351 15.819 -2.608 1.00 20.14 H new ATOM 0 HD2 HIS A 85 4.078 14.742 -3.229 1.00 45.41 H new ATOM 0 HE1 HIS A 85 2.725 10.753 -2.818 1.00 44.44 H new ATOM 0 HE2 HIS A 85 4.587 12.235 -3.684 1.00 45.43 H new ATOM 1353 N ILE A 86 -0.113 16.250 0.414 1.00 25.31 N ATOM 1354 CA ILE A 86 -1.231 17.053 0.936 1.00 74.20 C ATOM 1355 C ILE A 86 -1.575 16.610 2.363 1.00 25.24 C ATOM 1356 O ILE A 86 -1.852 15.428 2.603 1.00 62.22 O ATOM 1357 CB ILE A 86 -2.497 16.916 0.006 1.00 71.12 C ATOM 1358 CG1 ILE A 86 -2.211 17.494 -1.422 1.00 30.02 C ATOM 1359 CG2 ILE A 86 -3.767 17.550 0.625 1.00 55.34 C ATOM 1360 CD1 ILE A 86 -1.785 18.949 -1.480 1.00 42.11 C ATOM 0 H ILE A 86 -0.310 15.250 0.386 1.00 25.31 H new ATOM 0 HA ILE A 86 -0.927 18.100 0.952 1.00 74.20 H new ATOM 0 HB ILE A 86 -2.701 15.850 -0.090 1.00 71.12 H new ATOM 0 HG12 ILE A 86 -1.432 16.890 -1.887 1.00 30.02 H new ATOM 0 HG13 ILE A 86 -3.110 17.375 -2.027 1.00 30.02 H new ATOM 0 HG21 ILE A 86 -4.606 17.426 -0.059 1.00 55.34 H new ATOM 0 HG22 ILE A 86 -3.994 17.059 1.571 1.00 55.34 H new ATOM 0 HG23 ILE A 86 -3.595 18.612 0.799 1.00 55.34 H new ATOM 0 HD11 ILE A 86 -1.615 19.237 -2.517 1.00 42.11 H new ATOM 0 HD12 ILE A 86 -2.569 19.575 -1.053 1.00 42.11 H new ATOM 0 HD13 ILE A 86 -0.865 19.082 -0.911 1.00 42.11 H new ATOM 1372 N GLU A 87 -1.531 17.576 3.296 1.00 35.52 N ATOM 1373 CA GLU A 87 -2.012 17.420 4.675 1.00 41.51 C ATOM 1374 C GLU A 87 -3.037 18.535 4.960 1.00 53.42 C ATOM 1375 O GLU A 87 -2.699 19.717 4.895 1.00 52.30 O ATOM 1376 CB GLU A 87 -0.830 17.502 5.679 1.00 24.10 C ATOM 1377 CG GLU A 87 0.158 16.317 5.610 1.00 60.23 C ATOM 1378 CD GLU A 87 1.240 16.375 6.700 1.00 74.25 C ATOM 1379 OE1 GLU A 87 1.001 15.872 7.821 1.00 55.32 O ATOM 1380 OE2 GLU A 87 2.331 16.933 6.454 1.00 0.23 O ATOM 0 H GLU A 87 -1.152 18.504 3.107 1.00 35.52 H new ATOM 0 HA GLU A 87 -2.481 16.443 4.794 1.00 41.51 H new ATOM 0 HB2 GLU A 87 -0.281 18.426 5.498 1.00 24.10 H new ATOM 0 HB3 GLU A 87 -1.233 17.563 6.690 1.00 24.10 H new ATOM 0 HG2 GLU A 87 -0.396 15.383 5.705 1.00 60.23 H new ATOM 0 HG3 GLU A 87 0.636 16.306 4.631 1.00 60.23 H new ATOM 1387 N GLN A 88 -4.278 18.155 5.289 1.00 1.22 N ATOM 1388 CA GLN A 88 -5.395 19.109 5.482 1.00 30.11 C ATOM 1389 C GLN A 88 -5.470 19.651 6.932 1.00 54.34 C ATOM 1390 O GLN A 88 -6.446 20.320 7.292 1.00 45.13 O ATOM 1391 CB GLN A 88 -6.726 18.421 5.070 1.00 71.21 C ATOM 1392 CG GLN A 88 -7.061 17.126 5.846 1.00 12.45 C ATOM 1393 CD GLN A 88 -8.381 16.465 5.424 1.00 5.31 C ATOM 1394 OE1 GLN A 88 -8.521 15.237 5.464 1.00 31.22 O ATOM 1395 NE2 GLN A 88 -9.380 17.262 5.056 1.00 62.34 N ATOM 0 H GLN A 88 -4.543 17.180 5.430 1.00 1.22 H new ATOM 0 HA GLN A 88 -5.217 19.976 4.846 1.00 30.11 H new ATOM 0 HB2 GLN A 88 -7.542 19.130 5.208 1.00 71.21 H new ATOM 0 HB3 GLN A 88 -6.683 18.188 4.006 1.00 71.21 H new ATOM 0 HG2 GLN A 88 -6.249 16.412 5.707 1.00 12.45 H new ATOM 0 HG3 GLN A 88 -7.106 17.355 6.911 1.00 12.45 H new ATOM 0 HE21 GLN A 88 -9.243 18.272 5.030 1.00 62.34 H new ATOM 0 HE22 GLN A 88 -10.283 16.863 4.800 1.00 62.34 H new ATOM 1404 N GLY A 89 -4.424 19.384 7.746 1.00 22.35 N ATOM 1405 CA GLY A 89 -4.385 19.808 9.153 1.00 42.03 C ATOM 1406 C GLY A 89 -4.101 21.299 9.335 1.00 63.12 C ATOM 1407 O GLY A 89 -2.964 21.692 9.631 1.00 63.42 O ATOM 0 H GLY A 89 -3.594 18.874 7.445 1.00 22.35 H new ATOM 0 HA2 GLY A 89 -5.339 19.568 9.623 1.00 42.03 H new ATOM 0 HA3 GLY A 89 -3.620 19.234 9.676 1.00 42.03 H new ATOM 1411 N GLY A 90 -5.147 22.130 9.133 1.00 20.15 N ATOM 1412 CA GLY A 90 -5.062 23.585 9.322 1.00 54.44 C ATOM 1413 C GLY A 90 -4.422 24.318 8.145 1.00 54.03 C ATOM 1414 O GLY A 90 -4.214 25.530 8.209 1.00 74.14 O ATOM 0 H GLY A 90 -6.068 21.807 8.836 1.00 20.15 H new ATOM 0 HA2 GLY A 90 -6.064 23.981 9.484 1.00 54.44 H new ATOM 0 HA3 GLY A 90 -4.487 23.793 10.225 1.00 54.44 H new ATOM 1418 N LEU A 91 -4.125 23.575 7.062 1.00 1.13 N ATOM 1419 CA LEU A 91 -3.405 24.093 5.879 1.00 32.12 C ATOM 1420 C LEU A 91 -4.386 24.351 4.722 1.00 63.40 C ATOM 1421 O LEU A 91 -5.480 23.769 4.691 1.00 72.12 O ATOM 1422 CB LEU A 91 -2.313 23.066 5.448 1.00 5.03 C ATOM 1423 CG LEU A 91 -1.310 22.605 6.562 1.00 34.54 C ATOM 1424 CD1 LEU A 91 -0.250 21.622 6.006 1.00 22.52 C ATOM 1425 CD2 LEU A 91 -0.649 23.812 7.269 1.00 71.53 C ATOM 0 H LEU A 91 -4.379 22.591 6.981 1.00 1.13 H new ATOM 0 HA LEU A 91 -2.928 25.039 6.136 1.00 32.12 H new ATOM 0 HB2 LEU A 91 -2.813 22.182 5.052 1.00 5.03 H new ATOM 0 HB3 LEU A 91 -1.739 23.501 4.630 1.00 5.03 H new ATOM 0 HG LEU A 91 -1.889 22.066 7.312 1.00 34.54 H new ATOM 0 HD11 LEU A 91 0.427 21.325 6.807 1.00 22.52 H new ATOM 0 HD12 LEU A 91 -0.748 20.739 5.605 1.00 22.52 H new ATOM 0 HD13 LEU A 91 0.318 22.109 5.213 1.00 22.52 H new ATOM 0 HD21 LEU A 91 0.039 23.453 8.034 1.00 71.53 H new ATOM 0 HD22 LEU A 91 -0.101 24.406 6.538 1.00 71.53 H new ATOM 0 HD23 LEU A 91 -1.419 24.428 7.734 1.00 71.53 H new ATOM 1437 N VAL A 92 -3.977 25.215 3.762 1.00 31.04 N ATOM 1438 CA VAL A 92 -4.776 25.538 2.563 1.00 51.22 C ATOM 1439 C VAL A 92 -4.570 24.432 1.499 1.00 72.33 C ATOM 1440 O VAL A 92 -3.801 24.553 0.534 1.00 23.51 O ATOM 1441 CB VAL A 92 -4.466 26.996 2.016 1.00 71.03 C ATOM 1442 CG1 VAL A 92 -2.951 27.231 1.765 1.00 35.32 C ATOM 1443 CG2 VAL A 92 -5.321 27.323 0.758 1.00 32.25 C ATOM 0 H VAL A 92 -3.084 25.706 3.800 1.00 31.04 H new ATOM 0 HA VAL A 92 -5.833 25.556 2.830 1.00 51.22 H new ATOM 0 HB VAL A 92 -4.755 27.695 2.801 1.00 71.03 H new ATOM 0 HG11 VAL A 92 -2.797 28.243 1.392 1.00 35.32 H new ATOM 0 HG12 VAL A 92 -2.403 27.101 2.698 1.00 35.32 H new ATOM 0 HG13 VAL A 92 -2.589 26.514 1.028 1.00 35.32 H new ATOM 0 HG21 VAL A 92 -5.085 28.328 0.409 1.00 32.25 H new ATOM 0 HG22 VAL A 92 -5.099 26.603 -0.030 1.00 32.25 H new ATOM 0 HG23 VAL A 92 -6.379 27.267 1.013 1.00 32.25 H new ATOM 1453 N LYS A 93 -5.230 23.302 1.767 1.00 50.31 N ATOM 1454 CA LYS A 93 -5.109 22.048 0.987 1.00 21.12 C ATOM 1455 C LYS A 93 -6.516 21.488 0.667 1.00 4.33 C ATOM 1456 O LYS A 93 -7.493 21.908 1.299 1.00 62.42 O ATOM 1457 CB LYS A 93 -4.260 21.017 1.806 1.00 74.31 C ATOM 1458 CG LYS A 93 -2.800 21.452 2.090 1.00 60.31 C ATOM 1459 CD LYS A 93 -1.997 21.745 0.801 1.00 40.14 C ATOM 1460 CE LYS A 93 -0.615 22.345 1.082 1.00 24.31 C ATOM 1461 NZ LYS A 93 0.077 22.756 -0.169 1.00 23.42 N ATOM 0 H LYS A 93 -5.881 23.222 2.549 1.00 50.31 H new ATOM 0 HA LYS A 93 -4.605 22.243 0.041 1.00 21.12 H new ATOM 0 HB2 LYS A 93 -4.760 20.831 2.757 1.00 74.31 H new ATOM 0 HB3 LYS A 93 -4.243 20.071 1.265 1.00 74.31 H new ATOM 0 HG2 LYS A 93 -2.807 22.343 2.718 1.00 60.31 H new ATOM 0 HG3 LYS A 93 -2.296 20.668 2.655 1.00 60.31 H new ATOM 0 HD2 LYS A 93 -1.878 20.821 0.235 1.00 40.14 H new ATOM 0 HD3 LYS A 93 -2.565 22.432 0.174 1.00 40.14 H new ATOM 0 HE2 LYS A 93 -0.721 23.209 1.739 1.00 24.31 H new ATOM 0 HE3 LYS A 93 -0.003 21.615 1.612 1.00 24.31 H new ATOM 0 HZ1 LYS A 93 1.008 23.157 0.065 1.00 23.42 H new ATOM 0 HZ2 LYS A 93 0.201 21.927 -0.785 1.00 23.42 H new ATOM 0 HZ3 LYS A 93 -0.494 23.472 -0.662 1.00 23.42 H new ATOM 1475 N PRO A 94 -6.668 20.560 -0.351 1.00 21.43 N ATOM 1476 CA PRO A 94 -7.968 19.894 -0.636 1.00 63.51 C ATOM 1477 C PRO A 94 -8.453 18.985 0.512 1.00 71.33 C ATOM 1478 O PRO A 94 -7.730 18.738 1.492 1.00 42.13 O ATOM 1479 CB PRO A 94 -7.691 19.072 -1.924 1.00 61.12 C ATOM 1480 CG PRO A 94 -6.207 18.863 -1.930 1.00 24.11 C ATOM 1481 CD PRO A 94 -5.623 20.124 -1.323 1.00 0.20 C ATOM 0 HA PRO A 94 -8.770 20.623 -0.752 1.00 63.51 H new ATOM 0 HB2 PRO A 94 -8.225 18.122 -1.910 1.00 61.12 H new ATOM 0 HB3 PRO A 94 -8.019 19.608 -2.814 1.00 61.12 H new ATOM 0 HG2 PRO A 94 -5.931 17.983 -1.349 1.00 24.11 H new ATOM 0 HG3 PRO A 94 -5.836 18.706 -2.943 1.00 24.11 H new ATOM 0 HD2 PRO A 94 -4.672 19.928 -0.828 1.00 0.20 H new ATOM 0 HD3 PRO A 94 -5.437 20.885 -2.081 1.00 0.20 H new ATOM 1489 N GLU A 95 -9.689 18.483 0.358 1.00 64.22 N ATOM 1490 CA GLU A 95 -10.340 17.616 1.360 1.00 21.21 C ATOM 1491 C GLU A 95 -9.602 16.269 1.499 1.00 32.12 C ATOM 1492 O GLU A 95 -9.520 15.712 2.593 1.00 44.34 O ATOM 1493 CB GLU A 95 -11.849 17.363 1.013 1.00 22.11 C ATOM 1494 CG GLU A 95 -12.135 16.420 -0.191 1.00 43.14 C ATOM 1495 CD GLU A 95 -11.715 16.978 -1.570 1.00 23.02 C ATOM 1496 OE1 GLU A 95 -12.539 17.649 -2.226 1.00 51.32 O ATOM 1497 OE2 GLU A 95 -10.565 16.746 -2.003 1.00 74.42 O ATOM 0 H GLU A 95 -10.267 18.665 -0.463 1.00 64.22 H new ATOM 0 HA GLU A 95 -10.290 18.143 2.313 1.00 21.21 H new ATOM 0 HB2 GLU A 95 -12.337 16.948 1.895 1.00 22.11 H new ATOM 0 HB3 GLU A 95 -12.319 18.326 0.812 1.00 22.11 H new ATOM 0 HG2 GLU A 95 -11.617 15.475 -0.025 1.00 43.14 H new ATOM 0 HG3 GLU A 95 -13.202 16.199 -0.215 1.00 43.14 H new ATOM 1504 N ARG A 96 -9.064 15.765 0.380 1.00 10.52 N ATOM 1505 CA ARG A 96 -8.479 14.427 0.318 1.00 23.14 C ATOM 1506 C ARG A 96 -7.015 14.439 0.751 1.00 72.43 C ATOM 1507 O ARG A 96 -6.316 15.457 0.644 1.00 33.14 O ATOM 1508 CB ARG A 96 -8.634 13.850 -1.108 1.00 25.24 C ATOM 1509 CG ARG A 96 -7.734 14.476 -2.197 1.00 21.14 C ATOM 1510 CD ARG A 96 -8.203 14.097 -3.612 1.00 35.51 C ATOM 1511 NE ARG A 96 -9.529 14.678 -3.895 1.00 71.14 N ATOM 1512 CZ ARG A 96 -10.597 14.025 -4.369 1.00 25.12 C ATOM 1513 NH1 ARG A 96 -10.542 12.724 -4.658 1.00 63.25 N ATOM 1514 NH2 ARG A 96 -11.735 14.688 -4.532 1.00 51.41 N ATOM 0 H ARG A 96 -9.024 16.275 -0.503 1.00 10.52 H new ATOM 0 HA ARG A 96 -9.015 13.784 1.016 1.00 23.14 H new ATOM 0 HB2 ARG A 96 -8.431 12.780 -1.069 1.00 25.24 H new ATOM 0 HB3 ARG A 96 -9.674 13.966 -1.414 1.00 25.24 H new ATOM 0 HG2 ARG A 96 -7.737 15.561 -2.091 1.00 21.14 H new ATOM 0 HG3 ARG A 96 -6.706 14.144 -2.054 1.00 21.14 H new ATOM 0 HD2 ARG A 96 -7.481 14.452 -4.347 1.00 35.51 H new ATOM 0 HD3 ARG A 96 -8.248 13.012 -3.707 1.00 35.51 H new ATOM 0 HE ARG A 96 -9.643 15.675 -3.712 1.00 71.14 H new ATOM 0 HH11 ARG A 96 -9.674 12.207 -4.519 1.00 63.25 H new ATOM 0 HH12 ARG A 96 -11.368 12.246 -5.018 1.00 63.25 H new ATOM 0 HH21 ARG A 96 -11.786 15.679 -4.297 1.00 51.41 H new ATOM 0 HH22 ARG A 96 -12.559 14.206 -4.892 1.00 51.41 H new ATOM 1528 N ASP A 97 -6.587 13.292 1.265 1.00 33.03 N ATOM 1529 CA ASP A 97 -5.186 13.023 1.556 1.00 23.55 C ATOM 1530 C ASP A 97 -4.489 12.617 0.258 1.00 14.43 C ATOM 1531 O ASP A 97 -5.028 11.812 -0.503 1.00 74.21 O ATOM 1532 CB ASP A 97 -5.058 11.881 2.585 1.00 2.21 C ATOM 1533 CG ASP A 97 -5.699 12.209 3.942 1.00 20.04 C ATOM 1534 OD1 ASP A 97 -5.045 12.884 4.770 1.00 73.23 O ATOM 1535 OD2 ASP A 97 -6.848 11.776 4.188 1.00 22.33 O ATOM 0 H ASP A 97 -7.209 12.516 1.493 1.00 33.03 H new ATOM 0 HA ASP A 97 -4.725 13.918 1.973 1.00 23.55 H new ATOM 0 HB2 ASP A 97 -5.523 10.982 2.179 1.00 2.21 H new ATOM 0 HB3 ASP A 97 -4.003 11.654 2.735 1.00 2.21 H new ATOM 1540 N ASP A 98 -3.306 13.191 0.004 1.00 60.21 N ATOM 1541 CA ASP A 98 -2.414 12.747 -1.087 1.00 21.14 C ATOM 1542 C ASP A 98 -1.140 12.199 -0.449 1.00 1.02 C ATOM 1543 O ASP A 98 -0.299 12.957 0.050 1.00 4.35 O ATOM 1544 CB ASP A 98 -2.071 13.893 -2.078 1.00 4.33 C ATOM 1545 CG ASP A 98 -3.242 14.316 -2.982 1.00 32.11 C ATOM 1546 OD1 ASP A 98 -4.236 14.872 -2.474 1.00 24.01 O ATOM 1547 OD2 ASP A 98 -3.161 14.106 -4.214 1.00 71.24 O ATOM 0 H ASP A 98 -2.937 13.974 0.544 1.00 60.21 H new ATOM 0 HA ASP A 98 -2.923 11.981 -1.672 1.00 21.14 H new ATOM 0 HB2 ASP A 98 -1.733 14.760 -1.510 1.00 4.33 H new ATOM 0 HB3 ASP A 98 -1.237 13.578 -2.706 1.00 4.33 H new ATOM 1552 N THR A 99 -1.024 10.875 -0.457 1.00 35.10 N ATOM 1553 CA THR A 99 0.101 10.137 0.125 1.00 42.03 C ATOM 1554 C THR A 99 0.727 9.221 -0.943 1.00 2.42 C ATOM 1555 O THR A 99 0.083 8.898 -1.929 1.00 2.42 O ATOM 1556 CB THR A 99 -0.414 9.296 1.351 1.00 1.23 C ATOM 1557 OG1 THR A 99 -0.934 10.185 2.359 1.00 51.42 O ATOM 1558 CG2 THR A 99 0.678 8.417 1.978 1.00 64.41 C ATOM 0 H THR A 99 -1.726 10.266 -0.878 1.00 35.10 H new ATOM 0 HA THR A 99 0.866 10.832 0.471 1.00 42.03 H new ATOM 0 HB THR A 99 -1.192 8.632 0.974 1.00 1.23 H new ATOM 0 HG1 THR A 99 -1.879 9.981 2.519 1.00 51.42 H new ATOM 0 HG21 THR A 99 0.261 7.862 2.818 1.00 64.41 H new ATOM 0 HG22 THR A 99 1.055 7.717 1.232 1.00 64.41 H new ATOM 0 HG23 THR A 99 1.495 9.047 2.329 1.00 64.41 H new ATOM 1566 N GLU A 100 2.018 8.918 -0.788 1.00 34.22 N ATOM 1567 CA GLU A 100 2.686 7.798 -1.472 1.00 31.20 C ATOM 1568 C GLU A 100 3.473 6.985 -0.427 1.00 32.22 C ATOM 1569 O GLU A 100 3.823 7.510 0.630 1.00 32.33 O ATOM 1570 CB GLU A 100 3.612 8.348 -2.594 1.00 52.35 C ATOM 1571 CG GLU A 100 4.431 7.296 -3.373 1.00 53.32 C ATOM 1572 CD GLU A 100 5.461 7.922 -4.328 1.00 11.30 C ATOM 1573 OE1 GLU A 100 6.460 8.486 -3.841 1.00 72.04 O ATOM 1574 OE2 GLU A 100 5.288 7.851 -5.566 1.00 71.11 O ATOM 0 H GLU A 100 2.640 9.447 -0.177 1.00 34.22 H new ATOM 0 HA GLU A 100 1.955 7.141 -1.944 1.00 31.20 H new ATOM 0 HB2 GLU A 100 2.999 8.901 -3.305 1.00 52.35 H new ATOM 0 HB3 GLU A 100 4.305 9.062 -2.148 1.00 52.35 H new ATOM 0 HG2 GLU A 100 4.947 6.648 -2.664 1.00 53.32 H new ATOM 0 HG3 GLU A 100 3.751 6.665 -3.945 1.00 53.32 H new ATOM 1581 N PHE A 101 3.683 5.695 -0.699 1.00 54.41 N ATOM 1582 CA PHE A 101 4.592 4.837 0.075 1.00 35.33 C ATOM 1583 C PHE A 101 5.598 4.235 -0.910 1.00 62.23 C ATOM 1584 O PHE A 101 5.201 3.535 -1.857 1.00 11.54 O ATOM 1585 CB PHE A 101 3.820 3.722 0.835 1.00 14.33 C ATOM 1586 CG PHE A 101 2.834 4.242 1.886 1.00 35.50 C ATOM 1587 CD1 PHE A 101 3.289 4.713 3.122 1.00 45.20 C ATOM 1588 CD2 PHE A 101 1.455 4.261 1.643 1.00 65.43 C ATOM 1589 CE1 PHE A 101 2.399 5.183 4.075 1.00 31.15 C ATOM 1590 CE2 PHE A 101 0.570 4.731 2.597 1.00 74.33 C ATOM 1591 CZ PHE A 101 1.041 5.191 3.811 1.00 11.43 C ATOM 0 H PHE A 101 3.224 5.209 -1.469 1.00 54.41 H new ATOM 0 HA PHE A 101 5.104 5.426 0.836 1.00 35.33 H new ATOM 0 HB2 PHE A 101 3.275 3.116 0.111 1.00 14.33 H new ATOM 0 HB3 PHE A 101 4.540 3.065 1.323 1.00 14.33 H new ATOM 0 HD1 PHE A 101 4.347 4.710 3.337 1.00 45.20 H new ATOM 0 HD2 PHE A 101 1.077 3.903 0.697 1.00 65.43 H new ATOM 0 HE1 PHE A 101 2.766 5.543 5.025 1.00 31.15 H new ATOM 0 HE2 PHE A 101 -0.490 4.738 2.392 1.00 74.33 H new ATOM 0 HZ PHE A 101 0.349 5.557 4.555 1.00 11.43 H new ATOM 1601 N GLN A 102 6.892 4.511 -0.687 1.00 15.05 N ATOM 1602 CA GLN A 102 7.980 4.119 -1.605 1.00 62.22 C ATOM 1603 C GLN A 102 8.841 3.020 -0.969 1.00 4.32 C ATOM 1604 O GLN A 102 9.039 3.007 0.246 1.00 52.52 O ATOM 1605 CB GLN A 102 8.851 5.355 -1.983 1.00 74.41 C ATOM 1606 CG GLN A 102 9.525 6.076 -0.791 1.00 21.24 C ATOM 1607 CD GLN A 102 10.485 7.200 -1.200 1.00 33.24 C ATOM 1608 OE1 GLN A 102 11.134 7.136 -2.245 1.00 60.30 O ATOM 1609 NE2 GLN A 102 10.584 8.238 -0.380 1.00 24.14 N ATOM 0 H GLN A 102 7.218 5.015 0.138 1.00 15.05 H new ATOM 0 HA GLN A 102 7.538 3.725 -2.520 1.00 62.22 H new ATOM 0 HB2 GLN A 102 9.627 5.034 -2.678 1.00 74.41 H new ATOM 0 HB3 GLN A 102 8.225 6.072 -2.514 1.00 74.41 H new ATOM 0 HG2 GLN A 102 8.750 6.491 -0.146 1.00 21.24 H new ATOM 0 HG3 GLN A 102 10.073 5.342 -0.199 1.00 21.24 H new ATOM 0 HE21 GLN A 102 10.034 8.264 0.479 1.00 24.14 H new ATOM 0 HE22 GLN A 102 11.210 9.010 -0.608 1.00 24.14 H new ATOM 1618 N HIS A 103 9.333 2.084 -1.799 1.00 30.42 N ATOM 1619 CA HIS A 103 10.194 0.987 -1.331 1.00 4.40 C ATOM 1620 C HIS A 103 11.184 0.563 -2.446 1.00 51.13 C ATOM 1621 O HIS A 103 10.753 0.310 -3.572 1.00 15.53 O ATOM 1622 CB HIS A 103 9.313 -0.203 -0.882 1.00 22.31 C ATOM 1623 CG HIS A 103 10.076 -1.301 -0.206 1.00 54.44 C ATOM 1624 ND1 HIS A 103 10.761 -2.281 -0.880 1.00 23.43 N ATOM 1625 CD2 HIS A 103 10.299 -1.529 1.098 1.00 24.13 C ATOM 1626 CE1 HIS A 103 11.390 -3.043 -0.008 1.00 11.44 C ATOM 1627 NE2 HIS A 103 11.122 -2.609 1.192 1.00 64.00 N ATOM 0 H HIS A 103 9.147 2.067 -2.802 1.00 30.42 H new ATOM 0 HA HIS A 103 10.783 1.326 -0.479 1.00 4.40 H new ATOM 0 HB2 HIS A 103 8.543 0.163 -0.202 1.00 22.31 H new ATOM 0 HB3 HIS A 103 8.801 -0.612 -1.753 1.00 22.31 H new ATOM 0 HD2 HIS A 103 9.898 -0.959 1.923 1.00 24.13 H new ATOM 0 HE1 HIS A 103 12.022 -3.886 -0.247 1.00 11.44 H new ATOM 0 HE2 HIS A 103 11.472 -3.013 2.060 1.00 64.00 H new ATOM 1636 N PRO A 104 12.524 0.443 -2.132 1.00 32.50 N ATOM 1637 CA PRO A 104 13.581 0.144 -3.146 1.00 21.32 C ATOM 1638 C PRO A 104 13.418 -1.239 -3.825 1.00 13.44 C ATOM 1639 O PRO A 104 13.607 -1.366 -5.038 1.00 74.41 O ATOM 1640 CB PRO A 104 14.901 0.223 -2.324 1.00 12.14 C ATOM 1641 CG PRO A 104 14.486 -0.016 -0.901 1.00 53.43 C ATOM 1642 CD PRO A 104 13.117 0.609 -0.770 1.00 32.41 C ATOM 0 HA PRO A 104 13.542 0.843 -3.982 1.00 21.32 H new ATOM 0 HB2 PRO A 104 15.619 -0.526 -2.657 1.00 12.14 H new ATOM 0 HB3 PRO A 104 15.379 1.196 -2.438 1.00 12.14 H new ATOM 0 HG2 PRO A 104 14.454 -1.082 -0.675 1.00 53.43 H new ATOM 0 HG3 PRO A 104 15.192 0.436 -0.205 1.00 53.43 H new ATOM 0 HD2 PRO A 104 12.519 0.109 -0.008 1.00 32.41 H new ATOM 0 HD3 PRO A 104 13.181 1.659 -0.486 1.00 32.41 H new ATOM 1650 N CYS A 105 13.053 -2.267 -3.027 1.00 73.30 N ATOM 1651 CA CYS A 105 12.899 -3.662 -3.514 1.00 31.22 C ATOM 1652 C CYS A 105 11.423 -3.980 -3.830 1.00 44.51 C ATOM 1653 O CYS A 105 11.014 -5.138 -3.837 1.00 15.22 O ATOM 1654 CB CYS A 105 13.475 -4.642 -2.464 1.00 0.43 C ATOM 1655 SG CYS A 105 15.146 -4.222 -1.927 1.00 62.12 S ATOM 0 H CYS A 105 12.857 -2.157 -2.032 1.00 73.30 H new ATOM 0 HA CYS A 105 13.457 -3.777 -4.443 1.00 31.22 H new ATOM 0 HB2 CYS A 105 12.817 -4.660 -1.596 1.00 0.43 H new ATOM 0 HB3 CYS A 105 13.479 -5.649 -2.882 1.00 0.43 H new ATOM 0 HG CYS A 105 15.550 -5.090 -1.048 1.00 62.12 H new ATOM 1661 N PHE A 106 10.632 -2.929 -4.091 1.00 3.34 N ATOM 1662 CA PHE A 106 9.243 -3.056 -4.554 1.00 11.21 C ATOM 1663 C PHE A 106 9.183 -2.421 -5.942 1.00 3.15 C ATOM 1664 O PHE A 106 9.165 -1.198 -6.066 1.00 44.43 O ATOM 1665 CB PHE A 106 8.280 -2.353 -3.556 1.00 41.43 C ATOM 1666 CG PHE A 106 6.785 -2.393 -3.913 1.00 41.04 C ATOM 1667 CD1 PHE A 106 6.016 -3.528 -3.650 1.00 72.44 C ATOM 1668 CD2 PHE A 106 6.147 -1.285 -4.490 1.00 52.52 C ATOM 1669 CE1 PHE A 106 4.664 -3.557 -3.950 1.00 24.24 C ATOM 1670 CE2 PHE A 106 4.796 -1.320 -4.792 1.00 54.24 C ATOM 1671 CZ PHE A 106 4.057 -2.456 -4.522 1.00 70.12 C ATOM 0 H PHE A 106 10.940 -1.962 -3.986 1.00 3.34 H new ATOM 0 HA PHE A 106 8.930 -4.099 -4.607 1.00 11.21 H new ATOM 0 HB2 PHE A 106 8.410 -2.810 -2.575 1.00 41.43 H new ATOM 0 HB3 PHE A 106 8.583 -1.310 -3.465 1.00 41.43 H new ATOM 0 HD1 PHE A 106 6.482 -4.396 -3.206 1.00 72.44 H new ATOM 0 HD2 PHE A 106 6.717 -0.393 -4.702 1.00 52.52 H new ATOM 0 HE1 PHE A 106 4.083 -4.442 -3.736 1.00 24.24 H new ATOM 0 HE2 PHE A 106 4.320 -0.460 -5.239 1.00 54.24 H new ATOM 0 HZ PHE A 106 3.004 -2.483 -4.759 1.00 70.12 H new ATOM 1681 N LEU A 107 9.235 -3.264 -6.975 1.00 33.14 N ATOM 1682 CA LEU A 107 9.146 -2.836 -8.377 1.00 2.54 C ATOM 1683 C LEU A 107 7.915 -3.504 -9.003 1.00 31.44 C ATOM 1684 O LEU A 107 7.645 -4.680 -8.728 1.00 63.34 O ATOM 1685 CB LEU A 107 10.432 -3.239 -9.161 1.00 24.42 C ATOM 1686 CG LEU A 107 11.803 -2.778 -8.568 1.00 3.21 C ATOM 1687 CD1 LEU A 107 12.974 -3.329 -9.413 1.00 45.25 C ATOM 1688 CD2 LEU A 107 11.889 -1.238 -8.432 1.00 3.32 C ATOM 0 H LEU A 107 9.341 -4.272 -6.864 1.00 33.14 H new ATOM 0 HA LEU A 107 9.055 -1.751 -8.425 1.00 2.54 H new ATOM 0 HB2 LEU A 107 10.449 -4.325 -9.247 1.00 24.42 H new ATOM 0 HB3 LEU A 107 10.350 -2.841 -10.172 1.00 24.42 H new ATOM 0 HG LEU A 107 11.880 -3.190 -7.562 1.00 3.21 H new ATOM 0 HD11 LEU A 107 13.920 -2.997 -8.984 1.00 45.25 H new ATOM 0 HD12 LEU A 107 12.939 -4.418 -9.416 1.00 45.25 H new ATOM 0 HD13 LEU A 107 12.890 -2.960 -10.435 1.00 45.25 H new ATOM 0 HD21 LEU A 107 12.858 -0.963 -8.016 1.00 3.32 H new ATOM 0 HD22 LEU A 107 11.772 -0.779 -9.414 1.00 3.32 H new ATOM 0 HD23 LEU A 107 11.097 -0.886 -7.770 1.00 3.32 H new ATOM 1700 N ARG A 108 7.179 -2.749 -9.823 1.00 23.10 N ATOM 1701 CA ARG A 108 5.991 -3.243 -10.533 1.00 22.13 C ATOM 1702 C ARG A 108 6.406 -4.268 -11.617 1.00 73.31 C ATOM 1703 O ARG A 108 7.335 -4.016 -12.393 1.00 25.21 O ATOM 1704 CB ARG A 108 5.244 -2.047 -11.159 1.00 40.13 C ATOM 1705 CG ARG A 108 3.973 -2.396 -11.965 1.00 73.23 C ATOM 1706 CD ARG A 108 3.469 -1.191 -12.774 1.00 33.11 C ATOM 1707 NE ARG A 108 4.526 -0.681 -13.660 1.00 5.31 N ATOM 1708 CZ ARG A 108 4.424 0.369 -14.481 1.00 32.12 C ATOM 1709 NH1 ARG A 108 3.297 1.064 -14.572 1.00 72.22 N ATOM 1710 NH2 ARG A 108 5.475 0.719 -15.206 1.00 62.11 N ATOM 0 H ARG A 108 7.391 -1.770 -10.016 1.00 23.10 H new ATOM 0 HA ARG A 108 5.325 -3.748 -9.833 1.00 22.13 H new ATOM 0 HB2 ARG A 108 4.968 -1.357 -10.361 1.00 40.13 H new ATOM 0 HB3 ARG A 108 5.933 -1.515 -11.815 1.00 40.13 H new ATOM 0 HG2 ARG A 108 4.185 -3.225 -12.640 1.00 73.23 H new ATOM 0 HG3 ARG A 108 3.190 -2.731 -11.285 1.00 73.23 H new ATOM 0 HD2 ARG A 108 2.601 -1.481 -13.365 1.00 33.11 H new ATOM 0 HD3 ARG A 108 3.144 -0.402 -12.096 1.00 33.11 H new ATOM 0 HE ARG A 108 5.419 -1.174 -13.647 1.00 5.31 H new ATOM 0 HH11 ARG A 108 2.488 0.800 -14.009 1.00 72.22 H new ATOM 0 HH12 ARG A 108 3.240 1.862 -15.205 1.00 72.22 H new ATOM 0 HH21 ARG A 108 6.344 0.190 -15.133 1.00 62.11 H new ATOM 0 HH22 ARG A 108 5.416 1.517 -15.838 1.00 62.11 H new ATOM 1724 N GLY A 109 5.705 -5.414 -11.645 1.00 43.14 N ATOM 1725 CA GLY A 109 6.063 -6.538 -12.516 1.00 34.14 C ATOM 1726 C GLY A 109 7.159 -7.418 -11.933 1.00 4.35 C ATOM 1727 O GLY A 109 7.573 -8.385 -12.570 1.00 40.21 O ATOM 0 H GLY A 109 4.881 -5.583 -11.068 1.00 43.14 H new ATOM 0 HA2 GLY A 109 5.176 -7.145 -12.699 1.00 34.14 H new ATOM 0 HA3 GLY A 109 6.390 -6.152 -13.482 1.00 34.14 H new ATOM 1731 N GLN A 110 7.628 -7.088 -10.712 1.00 61.33 N ATOM 1732 CA GLN A 110 8.748 -7.789 -10.055 1.00 21.52 C ATOM 1733 C GLN A 110 8.248 -8.323 -8.688 1.00 51.10 C ATOM 1734 O GLN A 110 8.817 -8.043 -7.625 1.00 54.42 O ATOM 1735 CB GLN A 110 9.966 -6.816 -9.906 1.00 62.53 C ATOM 1736 CG GLN A 110 11.349 -7.496 -9.791 1.00 42.14 C ATOM 1737 CD GLN A 110 11.926 -7.928 -11.142 1.00 13.11 C ATOM 1738 OE1 GLN A 110 11.654 -9.014 -11.636 1.00 52.23 O ATOM 1739 NE2 GLN A 110 12.756 -7.088 -11.739 1.00 41.25 N ATOM 0 H GLN A 110 7.240 -6.327 -10.154 1.00 61.33 H new ATOM 0 HA GLN A 110 9.089 -8.634 -10.653 1.00 21.52 H new ATOM 0 HB2 GLN A 110 9.980 -6.145 -10.765 1.00 62.53 H new ATOM 0 HB3 GLN A 110 9.809 -6.198 -9.022 1.00 62.53 H new ATOM 0 HG2 GLN A 110 12.045 -6.809 -9.310 1.00 42.14 H new ATOM 0 HG3 GLN A 110 11.264 -8.369 -9.144 1.00 42.14 H new ATOM 0 HE21 GLN A 110 12.968 -6.188 -11.308 1.00 41.25 H new ATOM 0 HE22 GLN A 110 13.184 -7.340 -12.630 1.00 41.25 H new ATOM 1748 N GLU A 111 7.136 -9.072 -8.763 1.00 70.13 N ATOM 1749 CA GLU A 111 6.424 -9.668 -7.603 1.00 34.42 C ATOM 1750 C GLU A 111 7.288 -10.640 -6.762 1.00 32.24 C ATOM 1751 O GLU A 111 7.003 -10.846 -5.575 1.00 65.51 O ATOM 1752 CB GLU A 111 5.126 -10.393 -8.091 1.00 35.21 C ATOM 1753 CG GLU A 111 5.334 -11.682 -8.937 1.00 22.11 C ATOM 1754 CD GLU A 111 6.169 -11.481 -10.219 1.00 55.41 C ATOM 1755 OE1 GLU A 111 5.702 -10.757 -11.125 1.00 73.32 O ATOM 1756 OE2 GLU A 111 7.311 -11.996 -10.295 1.00 73.04 O ATOM 0 H GLU A 111 6.689 -9.290 -9.653 1.00 70.13 H new ATOM 0 HA GLU A 111 6.174 -8.838 -6.942 1.00 34.42 H new ATOM 0 HB2 GLU A 111 4.528 -10.650 -7.217 1.00 35.21 H new ATOM 0 HB3 GLU A 111 4.541 -9.687 -8.681 1.00 35.21 H new ATOM 0 HG2 GLU A 111 5.821 -12.434 -8.316 1.00 22.11 H new ATOM 0 HG3 GLU A 111 4.358 -12.081 -9.214 1.00 22.11 H new ATOM 1763 N GLN A 112 8.315 -11.266 -7.381 1.00 25.43 N ATOM 1764 CA GLN A 112 9.229 -12.191 -6.657 1.00 23.23 C ATOM 1765 C GLN A 112 10.164 -11.442 -5.679 1.00 1.22 C ATOM 1766 O GLN A 112 10.873 -12.076 -4.904 1.00 40.24 O ATOM 1767 CB GLN A 112 10.056 -13.112 -7.623 1.00 65.32 C ATOM 1768 CG GLN A 112 11.399 -12.553 -8.175 1.00 65.11 C ATOM 1769 CD GLN A 112 11.280 -11.494 -9.275 1.00 64.13 C ATOM 1770 OE1 GLN A 112 10.320 -10.732 -9.345 1.00 43.34 O ATOM 1771 NE2 GLN A 112 12.282 -11.432 -10.142 1.00 4.33 N ATOM 0 H GLN A 112 8.534 -11.152 -8.371 1.00 25.43 H new ATOM 0 HA GLN A 112 8.581 -12.841 -6.069 1.00 23.23 H new ATOM 0 HB2 GLN A 112 10.270 -14.043 -7.099 1.00 65.32 H new ATOM 0 HB3 GLN A 112 9.422 -13.363 -8.473 1.00 65.32 H new ATOM 0 HG2 GLN A 112 11.961 -12.125 -7.345 1.00 65.11 H new ATOM 0 HG3 GLN A 112 11.986 -13.386 -8.561 1.00 65.11 H new ATOM 0 HE21 GLN A 112 13.068 -12.078 -10.061 1.00 4.33 H new ATOM 0 HE22 GLN A 112 12.267 -10.739 -10.890 1.00 4.33 H new ATOM 1780 N LEU A 113 10.172 -10.093 -5.716 1.00 61.14 N ATOM 1781 CA LEU A 113 10.920 -9.280 -4.734 1.00 71.04 C ATOM 1782 C LEU A 113 10.114 -9.083 -3.432 1.00 12.22 C ATOM 1783 O LEU A 113 10.699 -8.685 -2.430 1.00 0.32 O ATOM 1784 CB LEU A 113 11.361 -7.904 -5.322 1.00 73.23 C ATOM 1785 CG LEU A 113 12.549 -7.911 -6.341 1.00 0.53 C ATOM 1786 CD1 LEU A 113 12.965 -6.459 -6.708 1.00 42.42 C ATOM 1787 CD2 LEU A 113 13.753 -8.723 -5.799 1.00 40.01 C ATOM 0 H LEU A 113 9.670 -9.545 -6.414 1.00 61.14 H new ATOM 0 HA LEU A 113 11.825 -9.838 -4.494 1.00 71.04 H new ATOM 0 HB2 LEU A 113 10.498 -7.453 -5.812 1.00 73.23 H new ATOM 0 HB3 LEU A 113 11.632 -7.252 -4.491 1.00 73.23 H new ATOM 0 HG LEU A 113 12.209 -8.405 -7.251 1.00 0.53 H new ATOM 0 HD11 LEU A 113 13.792 -6.486 -7.417 1.00 42.42 H new ATOM 0 HD12 LEU A 113 12.118 -5.940 -7.158 1.00 42.42 H new ATOM 0 HD13 LEU A 113 13.277 -5.931 -5.807 1.00 42.42 H new ATOM 0 HD21 LEU A 113 14.561 -8.708 -6.531 1.00 40.01 H new ATOM 0 HD22 LEU A 113 14.100 -8.280 -4.866 1.00 40.01 H new ATOM 0 HD23 LEU A 113 13.446 -9.753 -5.619 1.00 40.01 H new ATOM 1799 N LEU A 114 8.788 -9.384 -3.443 1.00 10.33 N ATOM 1800 CA LEU A 114 7.935 -9.319 -2.221 1.00 41.13 C ATOM 1801 C LEU A 114 8.411 -10.331 -1.167 1.00 11.41 C ATOM 1802 O LEU A 114 8.362 -10.064 0.036 1.00 23.43 O ATOM 1803 CB LEU A 114 6.444 -9.584 -2.565 1.00 72.15 C ATOM 1804 CG LEU A 114 5.748 -8.543 -3.495 1.00 62.51 C ATOM 1805 CD1 LEU A 114 4.313 -8.994 -3.826 1.00 70.41 C ATOM 1806 CD2 LEU A 114 5.758 -7.129 -2.869 1.00 11.12 C ATOM 0 H LEU A 114 8.286 -9.674 -4.282 1.00 10.33 H new ATOM 0 HA LEU A 114 8.026 -8.313 -1.812 1.00 41.13 H new ATOM 0 HB2 LEU A 114 6.372 -10.564 -3.036 1.00 72.15 H new ATOM 0 HB3 LEU A 114 5.883 -9.637 -1.632 1.00 72.15 H new ATOM 0 HG LEU A 114 6.314 -8.489 -4.425 1.00 62.51 H new ATOM 0 HD11 LEU A 114 3.841 -8.257 -4.476 1.00 70.41 H new ATOM 0 HD12 LEU A 114 4.343 -9.959 -4.333 1.00 70.41 H new ATOM 0 HD13 LEU A 114 3.739 -9.086 -2.904 1.00 70.41 H new ATOM 0 HD21 LEU A 114 5.265 -6.429 -3.544 1.00 11.12 H new ATOM 0 HD22 LEU A 114 5.228 -7.149 -1.917 1.00 11.12 H new ATOM 0 HD23 LEU A 114 6.788 -6.811 -2.705 1.00 11.12 H new ATOM 1818 N GLU A 115 8.889 -11.498 -1.643 1.00 3.23 N ATOM 1819 CA GLU A 115 9.475 -12.534 -0.771 1.00 5.24 C ATOM 1820 C GLU A 115 10.931 -12.217 -0.392 1.00 22.53 C ATOM 1821 O GLU A 115 11.553 -12.978 0.342 1.00 4.12 O ATOM 1822 CB GLU A 115 9.351 -13.940 -1.409 1.00 60.51 C ATOM 1823 CG GLU A 115 9.906 -14.103 -2.828 1.00 24.41 C ATOM 1824 CD GLU A 115 9.682 -15.518 -3.385 1.00 34.22 C ATOM 1825 OE1 GLU A 115 10.399 -16.447 -2.957 1.00 11.00 O ATOM 1826 OE2 GLU A 115 8.770 -15.719 -4.221 1.00 41.41 O ATOM 0 H GLU A 115 8.880 -11.747 -2.632 1.00 3.23 H new ATOM 0 HA GLU A 115 8.900 -12.535 0.155 1.00 5.24 H new ATOM 0 HB2 GLU A 115 9.859 -14.654 -0.761 1.00 60.51 H new ATOM 0 HB3 GLU A 115 8.297 -14.216 -1.422 1.00 60.51 H new ATOM 0 HG2 GLU A 115 9.431 -13.376 -3.487 1.00 24.41 H new ATOM 0 HG3 GLU A 115 10.973 -13.881 -2.826 1.00 24.41 H new ATOM 1833 N ASN A 116 11.469 -11.102 -0.910 1.00 22.30 N ATOM 1834 CA ASN A 116 12.763 -10.532 -0.464 1.00 62.21 C ATOM 1835 C ASN A 116 12.530 -9.299 0.437 1.00 75.21 C ATOM 1836 O ASN A 116 13.456 -8.847 1.120 1.00 60.14 O ATOM 1837 CB ASN A 116 13.639 -10.156 -1.685 1.00 24.24 C ATOM 1838 CG ASN A 116 14.031 -11.373 -2.525 1.00 65.44 C ATOM 1839 OD1 ASN A 116 15.097 -11.964 -2.342 1.00 62.33 O ATOM 1840 ND2 ASN A 116 13.165 -11.775 -3.430 1.00 25.43 N ATOM 0 H ASN A 116 11.022 -10.564 -1.653 1.00 22.30 H new ATOM 0 HA ASN A 116 13.290 -11.288 0.118 1.00 62.21 H new ATOM 0 HB2 ASN A 116 13.098 -9.446 -2.311 1.00 24.24 H new ATOM 0 HB3 ASN A 116 14.541 -9.652 -1.339 1.00 24.24 H new ATOM 0 HD21 ASN A 116 13.368 -12.595 -4.002 1.00 25.43 H new ATOM 0 HD22 ASN A 116 12.290 -11.267 -3.560 1.00 25.43 H new ATOM 1847 N ILE A 117 11.283 -8.773 0.442 1.00 44.50 N ATOM 1848 CA ILE A 117 10.870 -7.691 1.358 1.00 2.54 C ATOM 1849 C ILE A 117 10.428 -8.361 2.670 1.00 21.12 C ATOM 1850 O ILE A 117 9.400 -9.053 2.695 1.00 55.54 O ATOM 1851 CB ILE A 117 9.677 -6.813 0.790 1.00 13.20 C ATOM 1852 CG1 ILE A 117 10.003 -6.222 -0.610 1.00 72.10 C ATOM 1853 CG2 ILE A 117 9.302 -5.674 1.778 1.00 12.03 C ATOM 1854 CD1 ILE A 117 8.845 -5.482 -1.268 1.00 1.42 C ATOM 0 H ILE A 117 10.542 -9.086 -0.185 1.00 44.50 H new ATOM 0 HA ILE A 117 11.710 -7.011 1.497 1.00 2.54 H new ATOM 0 HB ILE A 117 8.821 -7.478 0.679 1.00 13.20 H new ATOM 0 HG12 ILE A 117 10.847 -5.539 -0.515 1.00 72.10 H new ATOM 0 HG13 ILE A 117 10.321 -7.031 -1.267 1.00 72.10 H new ATOM 0 HG21 ILE A 117 8.482 -5.088 1.363 1.00 12.03 H new ATOM 0 HG22 ILE A 117 8.995 -6.105 2.731 1.00 12.03 H new ATOM 0 HG23 ILE A 117 10.166 -5.028 1.934 1.00 12.03 H new ATOM 0 HD11 ILE A 117 9.161 -5.103 -2.240 1.00 1.42 H new ATOM 0 HD12 ILE A 117 8.005 -6.164 -1.400 1.00 1.42 H new ATOM 0 HD13 ILE A 117 8.540 -4.648 -0.636 1.00 1.42 H new ATOM 1866 N LYS A 118 11.217 -8.197 3.739 1.00 53.23 N ATOM 1867 CA LYS A 118 10.938 -8.835 5.040 1.00 61.42 C ATOM 1868 C LYS A 118 10.498 -7.753 6.038 1.00 12.12 C ATOM 1869 O LYS A 118 10.616 -6.551 5.770 1.00 24.54 O ATOM 1870 CB LYS A 118 12.204 -9.574 5.596 1.00 35.31 C ATOM 1871 CG LYS A 118 12.945 -10.560 4.648 1.00 51.11 C ATOM 1872 CD LYS A 118 12.268 -11.952 4.449 1.00 70.40 C ATOM 1873 CE LYS A 118 11.078 -11.951 3.473 1.00 61.25 C ATOM 1874 NZ LYS A 118 10.695 -13.335 3.066 1.00 41.00 N ATOM 0 H LYS A 118 12.061 -7.624 3.732 1.00 53.23 H new ATOM 0 HA LYS A 118 10.149 -9.574 4.904 1.00 61.42 H new ATOM 0 HB2 LYS A 118 12.919 -8.817 5.917 1.00 35.31 H new ATOM 0 HB3 LYS A 118 11.905 -10.127 6.486 1.00 35.31 H new ATOM 0 HG2 LYS A 118 13.050 -10.086 3.672 1.00 51.11 H new ATOM 0 HG3 LYS A 118 13.951 -10.719 5.035 1.00 51.11 H new ATOM 0 HD2 LYS A 118 13.017 -12.657 4.088 1.00 70.40 H new ATOM 0 HD3 LYS A 118 11.927 -12.317 5.418 1.00 70.40 H new ATOM 0 HE2 LYS A 118 10.225 -11.460 3.941 1.00 61.25 H new ATOM 0 HE3 LYS A 118 11.334 -11.369 2.588 1.00 61.25 H new ATOM 0 HZ1 LYS A 118 10.914 -13.474 2.059 1.00 41.00 H new ATOM 0 HZ2 LYS A 118 11.228 -14.024 3.634 1.00 41.00 H new ATOM 0 HZ3 LYS A 118 9.676 -13.473 3.221 1.00 41.00 H new ATOM 1888 N ARG A 119 10.023 -8.202 7.194 1.00 55.51 N ATOM 1889 CA ARG A 119 9.770 -7.342 8.362 1.00 30.42 C ATOM 1890 C ARG A 119 10.637 -7.843 9.520 1.00 21.10 C ATOM 1891 O ARG A 119 11.240 -7.051 10.255 1.00 11.11 O ATOM 1892 CB ARG A 119 8.257 -7.326 8.732 1.00 13.00 C ATOM 1893 CG ARG A 119 7.589 -8.714 8.776 1.00 44.32 C ATOM 1894 CD ARG A 119 6.085 -8.658 9.115 1.00 51.21 C ATOM 1895 NE ARG A 119 5.416 -9.938 8.820 1.00 11.22 N ATOM 1896 CZ ARG A 119 5.123 -10.883 9.712 1.00 2.32 C ATOM 1897 NH1 ARG A 119 5.424 -10.737 10.994 1.00 33.44 N ATOM 1898 NH2 ARG A 119 4.543 -11.997 9.311 1.00 55.24 N ATOM 0 H ARG A 119 9.798 -9.183 7.356 1.00 55.51 H new ATOM 0 HA ARG A 119 10.037 -6.310 8.132 1.00 30.42 H new ATOM 0 HB2 ARG A 119 8.140 -6.851 9.706 1.00 13.00 H new ATOM 0 HB3 ARG A 119 7.727 -6.706 8.009 1.00 13.00 H new ATOM 0 HG2 ARG A 119 7.719 -9.202 7.810 1.00 44.32 H new ATOM 0 HG3 ARG A 119 8.098 -9.331 9.516 1.00 44.32 H new ATOM 0 HD2 ARG A 119 5.958 -8.415 10.170 1.00 51.21 H new ATOM 0 HD3 ARG A 119 5.612 -7.859 8.544 1.00 51.21 H new ATOM 0 HE ARG A 119 5.155 -10.115 7.850 1.00 11.22 H new ATOM 0 HH11 ARG A 119 5.889 -9.888 11.315 1.00 33.44 H new ATOM 0 HH12 ARG A 119 5.190 -11.474 11.660 1.00 33.44 H new ATOM 0 HH21 ARG A 119 4.322 -12.130 8.324 1.00 55.24 H new ATOM 0 HH22 ARG A 119 4.315 -12.726 9.988 1.00 55.24 H new ATOM 1912 N LYS A 120 10.715 -9.184 9.641 1.00 44.02 N ATOM 1913 CA LYS A 120 11.460 -9.884 10.700 1.00 43.51 C ATOM 1914 C LYS A 120 12.232 -11.072 10.087 1.00 15.03 C ATOM 1915 O LYS A 120 12.149 -11.320 8.877 1.00 5.20 O ATOM 1916 CB LYS A 120 10.457 -10.419 11.769 1.00 32.53 C ATOM 1917 CG LYS A 120 9.553 -9.353 12.424 1.00 21.14 C ATOM 1918 CD LYS A 120 10.343 -8.324 13.255 1.00 2.12 C ATOM 1919 CE LYS A 120 9.434 -7.301 13.948 1.00 71.23 C ATOM 1920 NZ LYS A 120 10.198 -6.442 14.889 1.00 23.32 N ATOM 0 H LYS A 120 10.252 -9.820 8.992 1.00 44.02 H new ATOM 0 HA LYS A 120 12.163 -9.194 11.167 1.00 43.51 H new ATOM 0 HB2 LYS A 120 9.822 -11.171 11.302 1.00 32.53 H new ATOM 0 HB3 LYS A 120 11.023 -10.922 12.553 1.00 32.53 H new ATOM 0 HG2 LYS A 120 8.993 -8.832 11.647 1.00 21.14 H new ATOM 0 HG3 LYS A 120 8.824 -9.847 13.066 1.00 21.14 H new ATOM 0 HD2 LYS A 120 10.934 -8.847 14.007 1.00 2.12 H new ATOM 0 HD3 LYS A 120 11.044 -7.800 12.606 1.00 2.12 H new ATOM 0 HE2 LYS A 120 8.948 -6.677 13.198 1.00 71.23 H new ATOM 0 HE3 LYS A 120 8.644 -7.822 14.489 1.00 71.23 H new ATOM 0 HZ1 LYS A 120 9.553 -5.762 15.340 1.00 23.32 H new ATOM 0 HZ2 LYS A 120 10.641 -7.035 15.619 1.00 23.32 H new ATOM 0 HZ3 LYS A 120 10.935 -5.926 14.368 1.00 23.32 H new ATOM 1934 N VAL A 121 12.973 -11.797 10.934 1.00 41.15 N ATOM 1935 CA VAL A 121 13.529 -13.123 10.589 1.00 60.55 C ATOM 1936 C VAL A 121 12.421 -14.197 10.759 1.00 22.30 C ATOM 1937 O VAL A 121 12.318 -15.136 9.965 1.00 53.54 O ATOM 1938 CB VAL A 121 14.771 -13.471 11.498 1.00 52.53 C ATOM 1939 CG1 VAL A 121 15.334 -14.883 11.204 1.00 74.44 C ATOM 1940 CG2 VAL A 121 15.876 -12.392 11.366 1.00 21.11 C ATOM 0 H VAL A 121 13.207 -11.487 11.877 1.00 41.15 H new ATOM 0 HA VAL A 121 13.870 -13.105 9.554 1.00 60.55 H new ATOM 0 HB VAL A 121 14.420 -13.477 12.530 1.00 52.53 H new ATOM 0 HG11 VAL A 121 16.187 -15.077 11.854 1.00 74.44 H new ATOM 0 HG12 VAL A 121 14.561 -15.629 11.388 1.00 74.44 H new ATOM 0 HG13 VAL A 121 15.651 -14.939 10.163 1.00 74.44 H new ATOM 0 HG21 VAL A 121 16.720 -12.656 12.003 1.00 21.11 H new ATOM 0 HG22 VAL A 121 16.207 -12.335 10.329 1.00 21.11 H new ATOM 0 HG23 VAL A 121 15.479 -11.425 11.673 1.00 21.11 H new ATOM 1950 N THR A 122 11.578 -14.020 11.796 1.00 54.52 N ATOM 1951 CA THR A 122 10.461 -14.938 12.118 1.00 70.25 C ATOM 1952 C THR A 122 9.134 -14.437 11.471 1.00 51.32 C ATOM 1953 O THR A 122 8.090 -14.285 12.124 1.00 23.23 O ATOM 1954 CB THR A 122 10.347 -15.133 13.678 1.00 21.05 C ATOM 1955 OG1 THR A 122 9.280 -16.044 14.005 1.00 41.02 O ATOM 1956 CG2 THR A 122 10.156 -13.808 14.446 1.00 0.31 C ATOM 0 H THR A 122 11.651 -13.232 12.439 1.00 54.52 H new ATOM 0 HA THR A 122 10.664 -15.919 11.689 1.00 70.25 H new ATOM 0 HB THR A 122 11.300 -15.554 13.997 1.00 21.05 H new ATOM 0 HG1 THR A 122 8.451 -15.745 13.576 1.00 41.02 H new ATOM 0 HG21 THR A 122 10.085 -14.014 15.514 1.00 0.31 H new ATOM 0 HG22 THR A 122 11.007 -13.153 14.258 1.00 0.31 H new ATOM 0 HG23 THR A 122 9.241 -13.320 14.109 1.00 0.31 H new ATOM 1964 N SER A 123 9.197 -14.195 10.151 1.00 30.14 N ATOM 1965 CA SER A 123 8.028 -13.803 9.348 1.00 51.42 C ATOM 1966 C SER A 123 7.288 -15.083 8.876 1.00 75.44 C ATOM 1967 O SER A 123 7.653 -15.690 7.860 1.00 51.35 O ATOM 1968 CB SER A 123 8.482 -12.923 8.154 1.00 54.11 C ATOM 1969 OG SER A 123 9.204 -11.783 8.594 1.00 3.24 O ATOM 0 H SER A 123 10.060 -14.266 9.611 1.00 30.14 H new ATOM 0 HA SER A 123 7.337 -13.210 9.946 1.00 51.42 H new ATOM 0 HB2 SER A 123 9.105 -13.513 7.482 1.00 54.11 H new ATOM 0 HB3 SER A 123 7.610 -12.605 7.583 1.00 54.11 H new ATOM 0 HG SER A 123 10.165 -11.968 8.550 1.00 3.24 H new ATOM 1975 N VAL A 124 6.281 -15.511 9.671 1.00 4.30 N ATOM 1976 CA VAL A 124 5.549 -16.793 9.474 1.00 11.31 C ATOM 1977 C VAL A 124 4.097 -16.570 8.978 1.00 61.55 C ATOM 1978 O VAL A 124 3.263 -17.485 9.037 1.00 22.41 O ATOM 1979 CB VAL A 124 5.549 -17.642 10.812 1.00 32.14 C ATOM 1980 CG1 VAL A 124 6.991 -18.011 11.240 1.00 10.41 C ATOM 1981 CG2 VAL A 124 4.804 -16.906 11.955 1.00 62.33 C ATOM 0 H VAL A 124 5.948 -14.977 10.473 1.00 4.30 H new ATOM 0 HA VAL A 124 6.075 -17.348 8.697 1.00 11.31 H new ATOM 0 HB VAL A 124 5.009 -18.567 10.609 1.00 32.14 H new ATOM 0 HG11 VAL A 124 6.959 -18.593 12.161 1.00 10.41 H new ATOM 0 HG12 VAL A 124 7.464 -18.600 10.454 1.00 10.41 H new ATOM 0 HG13 VAL A 124 7.566 -17.100 11.406 1.00 10.41 H new ATOM 0 HG21 VAL A 124 4.825 -17.519 12.856 1.00 62.33 H new ATOM 0 HG22 VAL A 124 5.293 -15.952 12.153 1.00 62.33 H new ATOM 0 HG23 VAL A 124 3.770 -16.729 11.660 1.00 62.33 H new ATOM 1991 N SER A 125 3.808 -15.360 8.473 1.00 44.13 N ATOM 1992 CA SER A 125 2.499 -15.009 7.880 1.00 5.31 C ATOM 1993 C SER A 125 2.727 -14.051 6.685 1.00 4.11 C ATOM 1994 O SER A 125 3.208 -12.924 6.908 1.00 30.14 O ATOM 1995 CB SER A 125 1.545 -14.399 8.950 1.00 4.23 C ATOM 1996 OG SER A 125 2.203 -13.424 9.743 1.00 4.34 O ATOM 1997 OXT SER A 125 2.467 -14.440 5.525 1.00 38.25 O ATOM 0 H SER A 125 4.477 -14.590 8.463 1.00 44.13 H new ATOM 0 HA SER A 125 2.009 -15.910 7.512 1.00 5.31 H new ATOM 0 HB2 SER A 125 0.685 -13.947 8.456 1.00 4.23 H new ATOM 0 HB3 SER A 125 1.163 -15.193 9.592 1.00 4.23 H new ATOM 0 HG SER A 125 1.575 -13.061 10.402 1.00 4.34 H new TER 2003 SER A 125