USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 928 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 62 LYS NZ :NH3+ -173:sc= 0.987 (180deg=0) USER MOD Set 1.2: A 71 ASN : amide:sc= 1.18 K(o=2.2,f=-5.1!) USER MOD Set 2.1: A 48 HIS : no HE2:sc= 0.78 K(o=0.78,f=-3.2!) USER MOD Set 2.2: A 82 THR OG1 : rot -160:sc= 0 USER MOD Set 3.1: A 30 MET CE :methyl -167:sc= -0.171 (180deg=-0.734) USER MOD Set 3.2: A 97 TYR OH : rot -171:sc= 1.23 USER MOD Set 4.1: A 17 ASN : amide:sc= 0.388 K(o=0.46,f=-4.4!) USER MOD Set 4.2: A 18 SER OG : rot 180:sc= 0.0707 USER MOD Set 5.1: A 12 HIS : +bothHN:sc= 0.484 K(o=0.63,f=-8.4!) USER MOD Set 5.2: A 44 ASN : amide:sc= 0.141 K(o=0.63,f=-2.4) USER MOD Single : A 1 LYS N :NH3+ 142:sc= 0.0538 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0467) USER MOD Single : A 3 SER OG : rot -115:sc= 0.54 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= -0.028 (180deg=-0.127) USER MOD Single : A 11 GLN : amide:sc= -0.0584 K(o=-0.058,f=-1.2) USER MOD Single : A 13 MET CE :methyl 151:sc= -0.549 (180deg=-3.39!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00584 USER MOD Single : A 23 SER OG : rot 180:sc= 0.148 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot -163:sc= 1.24 USER MOD Single : A 27 ASN : amide:sc= 1.04 K(o=1,f=-6.1!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 141:sc= 0.0497 (180deg=-0.267) USER MOD Single : A 35 MET CE :methyl -128:sc= -0.051 (180deg=-0.36) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 0.973 (180deg=0.548) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0541) USER MOD Single : A 45 THR OG1 : rot -84:sc= 0.0299 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0925 USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.727 (180deg=0.55) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.509 K(o=0.51,f=-4.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 70 THR OG1 : rot -165:sc= 0.246 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 75 SER OG : rot 91:sc= 2.06 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.128 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 79 MET CE :methyl -172:sc= 0 (180deg=-0.0788) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0625 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 130:sc= 0.0997 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 161:sc= 1.12 USER MOD Single : A 94 ASN : amide:sc= 0.744 K(o=0.74,f=-0.017) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= -0.22 (180deg=-0.377) USER MOD Single : A 99 THR OG1 : rot 179:sc= 0.787 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 101 GLN : amide:sc= 0.481 K(o=0.48,f=-2.3) USER MOD Single : A 104 LYS NZ :NH3+ -139:sc= 1.21 (180deg=0.531) USER MOD Single : A 105 HIS : no HE2:sc= 0.593 K(o=0.59,f=-2.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0.184 USER MOD Single : A 119 HIS : no HD1:sc= -0.0384 X(o=-0.038,f=-0.12) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.723 -7.417 9.288 1.00 0.00 N ATOM 2 CA LYS A 1 -16.905 -7.201 8.081 1.00 0.00 C ATOM 3 C LYS A 1 -15.542 -7.882 8.241 1.00 0.00 C ATOM 4 O LYS A 1 -15.008 -7.945 9.347 1.00 0.00 O ATOM 5 CB LYS A 1 -16.759 -5.696 7.801 1.00 0.00 C ATOM 6 CG LYS A 1 -16.082 -5.394 6.454 1.00 0.00 C ATOM 7 CD LYS A 1 -15.896 -3.888 6.210 1.00 0.00 C ATOM 8 CE LYS A 1 -17.203 -3.084 6.179 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.160 -3.616 5.193 1.00 0.00 N ATOM 0 H1 LYS A 1 -18.267 -6.556 9.498 1.00 0.00 H new ATOM 0 H2 LYS A 1 -18.378 -8.209 9.127 1.00 0.00 H new ATOM 0 H3 LYS A 1 -17.103 -7.639 10.093 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.403 -7.650 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.745 -5.233 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -16.179 -5.238 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.110 -5.886 6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.681 -5.818 5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -15.253 -3.483 6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.375 -3.747 5.263 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.659 -3.097 7.169 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.982 -2.043 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.999 -3.003 5.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.712 -3.644 4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -18.445 -4.577 5.469 1.00 0.00 H new ATOM 25 N GLU A 2 -14.989 -8.395 7.137 1.00 0.00 N ATOM 26 CA GLU A 2 -13.637 -8.912 7.080 1.00 0.00 C ATOM 27 C GLU A 2 -12.643 -7.914 7.684 1.00 0.00 C ATOM 28 O GLU A 2 -12.804 -6.702 7.544 1.00 0.00 O ATOM 29 CB GLU A 2 -13.282 -9.254 5.622 1.00 0.00 C ATOM 30 CG GLU A 2 -11.792 -9.577 5.414 1.00 0.00 C ATOM 31 CD GLU A 2 -11.521 -10.132 4.020 1.00 0.00 C ATOM 32 OE1 GLU A 2 -11.947 -11.281 3.774 1.00 0.00 O ATOM 33 OE2 GLU A 2 -10.893 -9.395 3.229 1.00 0.00 O ATOM 0 H GLU A 2 -15.485 -8.459 6.248 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.574 -9.823 7.676 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.879 -10.108 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.557 -8.415 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.200 -8.675 5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.469 -10.301 6.162 1.00 0.00 H new ATOM 40 N SER A 3 -11.593 -8.446 8.312 1.00 0.00 N ATOM 41 CA SER A 3 -10.421 -7.699 8.734 1.00 0.00 C ATOM 42 C SER A 3 -9.198 -8.357 8.089 1.00 0.00 C ATOM 43 O SER A 3 -9.336 -9.148 7.158 1.00 0.00 O ATOM 44 CB SER A 3 -10.348 -7.661 10.266 1.00 0.00 C ATOM 45 OG SER A 3 -9.280 -6.832 10.694 1.00 0.00 O ATOM 0 H SER A 3 -11.539 -9.438 8.545 1.00 0.00 H new ATOM 0 HA SER A 3 -10.466 -6.659 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.289 -7.289 10.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.210 -8.670 10.654 1.00 0.00 H new ATOM 0 HG SER A 3 -8.610 -7.376 11.158 1.00 0.00 H new ATOM 51 N ALA A 4 -8.006 -8.014 8.573 1.00 0.00 N ATOM 52 CA ALA A 4 -6.701 -8.416 8.071 1.00 0.00 C ATOM 53 C ALA A 4 -6.500 -7.912 6.645 1.00 0.00 C ATOM 54 O ALA A 4 -5.787 -6.941 6.411 1.00 0.00 O ATOM 55 CB ALA A 4 -6.509 -9.935 8.186 1.00 0.00 C ATOM 0 H ALA A 4 -7.925 -7.403 9.386 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.931 -7.956 8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.525 -10.207 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.587 -10.234 9.231 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.278 -10.444 7.605 1.00 0.00 H new ATOM 61 N ALA A 5 -7.162 -8.564 5.697 1.00 0.00 N ATOM 62 CA ALA A 5 -6.993 -8.335 4.271 1.00 0.00 C ATOM 63 C ALA A 5 -7.828 -7.144 3.816 1.00 0.00 C ATOM 64 O ALA A 5 -7.329 -6.266 3.122 1.00 0.00 O ATOM 65 CB ALA A 5 -7.341 -9.605 3.495 1.00 0.00 C ATOM 0 H ALA A 5 -7.850 -9.287 5.907 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.950 -8.093 4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.212 -9.426 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.683 -10.415 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.377 -9.881 3.694 1.00 0.00 H new ATOM 71 N ALA A 6 -9.090 -7.065 4.244 1.00 0.00 N ATOM 72 CA ALA A 6 -9.886 -5.865 4.005 1.00 0.00 C ATOM 73 C ALA A 6 -9.253 -4.683 4.740 1.00 0.00 C ATOM 74 O ALA A 6 -9.199 -3.571 4.223 1.00 0.00 O ATOM 75 CB ALA A 6 -11.330 -6.074 4.458 1.00 0.00 C ATOM 0 H ALA A 6 -9.574 -7.807 4.750 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.902 -5.654 2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.905 -5.167 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.769 -6.903 3.903 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.348 -6.301 5.524 1.00 0.00 H new ATOM 81 N LYS A 7 -8.750 -4.936 5.951 1.00 0.00 N ATOM 82 CA LYS A 7 -8.090 -3.922 6.758 1.00 0.00 C ATOM 83 C LYS A 7 -6.868 -3.388 5.999 1.00 0.00 C ATOM 84 O LYS A 7 -6.714 -2.182 5.813 1.00 0.00 O ATOM 85 CB LYS A 7 -7.742 -4.536 8.126 1.00 0.00 C ATOM 86 CG LYS A 7 -8.075 -3.613 9.302 1.00 0.00 C ATOM 87 CD LYS A 7 -7.156 -2.390 9.425 1.00 0.00 C ATOM 88 CE LYS A 7 -5.680 -2.748 9.653 1.00 0.00 C ATOM 89 NZ LYS A 7 -5.497 -3.679 10.780 1.00 0.00 N ATOM 0 H LYS A 7 -8.792 -5.853 6.395 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.740 -3.067 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.283 -5.475 8.244 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.679 -4.776 8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.105 -3.270 9.199 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.021 -4.188 10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.240 -1.791 8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.502 -1.768 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.273 -3.195 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.113 -1.837 9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.482 -3.798 10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.965 -3.296 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.915 -4.601 10.540 1.00 0.00 H new ATOM 103 N PHE A 8 -6.026 -4.303 5.517 1.00 0.00 N ATOM 104 CA PHE A 8 -4.914 -4.003 4.628 1.00 0.00 C ATOM 105 C PHE A 8 -5.385 -3.176 3.427 1.00 0.00 C ATOM 106 O PHE A 8 -4.817 -2.124 3.133 1.00 0.00 O ATOM 107 CB PHE A 8 -4.273 -5.320 4.172 1.00 0.00 C ATOM 108 CG PHE A 8 -3.157 -5.154 3.161 1.00 0.00 C ATOM 109 CD1 PHE A 8 -2.061 -4.322 3.453 1.00 0.00 C ATOM 110 CD2 PHE A 8 -3.273 -5.736 1.884 1.00 0.00 C ATOM 111 CE1 PHE A 8 -1.084 -4.075 2.474 1.00 0.00 C ATOM 112 CE2 PHE A 8 -2.279 -5.511 0.917 1.00 0.00 C ATOM 113 CZ PHE A 8 -1.174 -4.702 1.220 1.00 0.00 C ATOM 0 H PHE A 8 -6.104 -5.295 5.742 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.173 -3.408 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.881 -5.841 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.046 -5.956 3.741 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.970 -3.873 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.126 -6.355 1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.265 -3.404 2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.366 -5.961 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.392 -4.561 0.489 1.00 0.00 H new ATOM 123 N GLU A 9 -6.431 -3.648 2.742 1.00 0.00 N ATOM 124 CA GLU A 9 -6.989 -2.988 1.575 1.00 0.00 C ATOM 125 C GLU A 9 -7.284 -1.520 1.899 1.00 0.00 C ATOM 126 O GLU A 9 -6.772 -0.624 1.236 1.00 0.00 O ATOM 127 CB GLU A 9 -8.233 -3.748 1.083 1.00 0.00 C ATOM 128 CG GLU A 9 -8.609 -3.378 -0.355 1.00 0.00 C ATOM 129 CD GLU A 9 -9.907 -4.056 -0.780 1.00 0.00 C ATOM 130 OE1 GLU A 9 -10.974 -3.531 -0.398 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.807 -5.093 -1.471 1.00 0.00 O ATOM 0 H GLU A 9 -6.915 -4.511 2.992 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.266 -2.999 0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.048 -4.821 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.073 -3.532 1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.717 -2.297 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.805 -3.671 -1.030 1.00 0.00 H new ATOM 138 N ARG A 10 -8.063 -1.279 2.954 1.00 0.00 N ATOM 139 CA ARG A 10 -8.400 0.053 3.430 1.00 0.00 C ATOM 140 C ARG A 10 -7.145 0.888 3.712 1.00 0.00 C ATOM 141 O ARG A 10 -7.042 2.033 3.279 1.00 0.00 O ATOM 142 CB ARG A 10 -9.241 -0.088 4.704 1.00 0.00 C ATOM 143 CG ARG A 10 -10.644 -0.661 4.457 1.00 0.00 C ATOM 144 CD ARG A 10 -11.613 0.380 3.888 1.00 0.00 C ATOM 145 NE ARG A 10 -12.948 -0.206 3.719 1.00 0.00 N ATOM 146 CZ ARG A 10 -14.033 0.468 3.311 1.00 0.00 C ATOM 147 NH1 ARG A 10 -13.953 1.776 3.043 1.00 0.00 N ATOM 148 NH2 ARG A 10 -15.196 -0.175 3.172 1.00 0.00 N ATOM 0 H ARG A 10 -8.484 -2.024 3.510 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.964 0.574 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.714 -0.732 5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.335 0.890 5.177 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.573 -1.502 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.044 -1.050 5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.668 1.240 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.244 0.744 2.929 1.00 0.00 H new ATOM 0 HE ARG A 10 -13.058 -1.198 3.927 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.064 2.265 3.149 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.781 2.285 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.255 -1.173 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -16.025 0.332 2.862 1.00 0.00 H new ATOM 162 N GLN A 11 -6.210 0.332 4.483 1.00 0.00 N ATOM 163 CA GLN A 11 -5.023 1.045 4.944 1.00 0.00 C ATOM 164 C GLN A 11 -4.039 1.365 3.813 1.00 0.00 C ATOM 165 O GLN A 11 -3.284 2.334 3.907 1.00 0.00 O ATOM 166 CB GLN A 11 -4.326 0.189 6.007 1.00 0.00 C ATOM 167 CG GLN A 11 -5.120 0.131 7.319 1.00 0.00 C ATOM 168 CD GLN A 11 -5.024 1.411 8.144 1.00 0.00 C ATOM 169 OE1 GLN A 11 -4.168 2.256 7.911 1.00 0.00 O ATOM 170 NE2 GLN A 11 -5.897 1.560 9.137 1.00 0.00 N ATOM 0 H GLN A 11 -6.258 -0.634 4.807 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.346 2.001 5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.188 -0.822 5.623 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.333 0.594 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.167 -0.068 7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.758 -0.706 7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.600 0.842 9.310 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.863 2.393 9.725 1.00 0.00 H new ATOM 179 N HIS A 12 -3.991 0.515 2.784 1.00 0.00 N ATOM 180 CA HIS A 12 -2.934 0.546 1.786 1.00 0.00 C ATOM 181 C HIS A 12 -3.472 0.511 0.356 1.00 0.00 C ATOM 182 O HIS A 12 -3.089 1.326 -0.480 1.00 0.00 O ATOM 183 CB HIS A 12 -2.001 -0.637 2.061 1.00 0.00 C ATOM 184 CG HIS A 12 -0.703 -0.563 1.310 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.406 0.161 1.698 1.00 0.00 N ATOM 186 CD2 HIS A 12 -0.407 -1.218 0.148 1.00 0.00 C ATOM 187 CE1 HIS A 12 1.375 -0.074 0.801 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.898 -0.888 -0.157 1.00 0.00 N ATOM 0 H HIS A 12 -4.688 -0.213 2.625 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.392 1.488 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -1.791 -0.683 3.130 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.513 -1.562 1.796 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.476 0.765 2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.062 -1.864 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.377 0.326 0.842 1.00 0.00 H new ATOM 0 HE2 HIS A 12 1.416 -1.209 -0.975 1.00 0.00 H new ATOM 197 N MET A 13 -4.333 -0.445 0.023 1.00 0.00 N ATOM 198 CA MET A 13 -4.707 -0.678 -1.362 1.00 0.00 C ATOM 199 C MET A 13 -5.814 0.288 -1.791 1.00 0.00 C ATOM 200 O MET A 13 -6.963 -0.077 -2.034 1.00 0.00 O ATOM 201 CB MET A 13 -5.053 -2.161 -1.534 1.00 0.00 C ATOM 202 CG MET A 13 -4.784 -2.672 -2.951 1.00 0.00 C ATOM 203 SD MET A 13 -6.116 -3.642 -3.687 1.00 0.00 S ATOM 204 CE MET A 13 -7.328 -2.325 -3.881 1.00 0.00 C ATOM 0 H MET A 13 -4.783 -1.068 0.694 1.00 0.00 H new ATOM 0 HA MET A 13 -3.876 -0.466 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.472 -2.750 -0.824 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.104 -2.315 -1.291 1.00 0.00 H new ATOM 0 HG2 MET A 13 -4.581 -1.817 -3.595 1.00 0.00 H new ATOM 0 HG3 MET A 13 -3.880 -3.281 -2.934 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.974 -2.547 -4.731 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.931 -2.250 -2.976 1.00 0.00 H new ATOM 0 HE3 MET A 13 -6.814 -1.380 -4.054 1.00 0.00 H new ATOM 214 N ASP A 14 -5.452 1.561 -1.890 1.00 0.00 N ATOM 215 CA ASP A 14 -6.395 2.633 -2.127 1.00 0.00 C ATOM 216 C ASP A 14 -6.686 2.765 -3.620 1.00 0.00 C ATOM 217 O ASP A 14 -6.312 3.755 -4.244 1.00 0.00 O ATOM 218 CB ASP A 14 -5.875 3.937 -1.506 1.00 0.00 C ATOM 219 CG ASP A 14 -6.794 5.128 -1.767 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.027 4.918 -1.769 1.00 0.00 O ATOM 221 OD2 ASP A 14 -6.244 6.235 -1.950 1.00 0.00 O ATOM 0 H ASP A 14 -4.485 1.875 -1.806 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.343 2.402 -1.641 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.761 3.801 -0.430 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.885 4.154 -1.906 1.00 0.00 H new ATOM 226 N SER A 15 -7.386 1.785 -4.199 1.00 0.00 N ATOM 227 CA SER A 15 -7.907 1.904 -5.560 1.00 0.00 C ATOM 228 C SER A 15 -9.068 2.906 -5.561 1.00 0.00 C ATOM 229 O SER A 15 -10.235 2.524 -5.642 1.00 0.00 O ATOM 230 CB SER A 15 -8.307 0.529 -6.108 1.00 0.00 C ATOM 231 OG SER A 15 -8.422 0.578 -7.518 1.00 0.00 O ATOM 0 H SER A 15 -7.604 0.899 -3.743 1.00 0.00 H new ATOM 0 HA SER A 15 -7.134 2.283 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.563 -0.215 -5.822 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.255 0.217 -5.669 1.00 0.00 H new ATOM 0 HG SER A 15 -8.676 -0.306 -7.856 1.00 0.00 H new ATOM 237 N GLY A 16 -8.738 4.189 -5.400 1.00 0.00 N ATOM 238 CA GLY A 16 -9.697 5.269 -5.286 1.00 0.00 C ATOM 239 C GLY A 16 -10.088 5.824 -6.654 1.00 0.00 C ATOM 240 O GLY A 16 -9.923 5.175 -7.685 1.00 0.00 O ATOM 0 H GLY A 16 -7.770 4.505 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.588 4.911 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.275 6.068 -4.676 1.00 0.00 H new ATOM 244 N ASN A 17 -10.619 7.048 -6.650 1.00 0.00 N ATOM 245 CA ASN A 17 -11.088 7.732 -7.850 1.00 0.00 C ATOM 246 C ASN A 17 -9.897 8.298 -8.634 1.00 0.00 C ATOM 247 O ASN A 17 -8.779 8.333 -8.117 1.00 0.00 O ATOM 248 CB ASN A 17 -12.074 8.833 -7.429 1.00 0.00 C ATOM 249 CG ASN A 17 -12.861 9.430 -8.595 1.00 0.00 C ATOM 250 OD1 ASN A 17 -12.864 8.899 -9.701 1.00 0.00 O ATOM 251 ND2 ASN A 17 -13.548 10.543 -8.360 1.00 0.00 N ATOM 0 H ASN A 17 -10.736 7.598 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.603 7.036 -8.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.774 8.423 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.524 9.629 -6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -14.093 10.973 -9.107 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.531 10.967 -7.432 1.00 0.00 H new ATOM 258 N SER A 18 -10.134 8.753 -9.867 1.00 0.00 N ATOM 259 CA SER A 18 -9.150 9.358 -10.752 1.00 0.00 C ATOM 260 C SER A 18 -8.222 10.334 -10.012 1.00 0.00 C ATOM 261 O SER A 18 -8.696 11.115 -9.186 1.00 0.00 O ATOM 262 CB SER A 18 -9.912 10.080 -11.865 1.00 0.00 C ATOM 263 OG SER A 18 -10.895 9.203 -12.383 1.00 0.00 O ATOM 0 H SER A 18 -11.061 8.705 -10.290 1.00 0.00 H new ATOM 0 HA SER A 18 -8.507 8.579 -11.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.379 10.985 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.226 10.388 -12.654 1.00 0.00 H new ATOM 0 HG SER A 18 -11.392 9.654 -13.097 1.00 0.00 H new ATOM 269 N PRO A 19 -6.909 10.307 -10.290 1.00 0.00 N ATOM 270 CA PRO A 19 -5.937 11.114 -9.572 1.00 0.00 C ATOM 271 C PRO A 19 -6.155 12.602 -9.858 1.00 0.00 C ATOM 272 O PRO A 19 -6.358 12.994 -11.005 1.00 0.00 O ATOM 273 CB PRO A 19 -4.568 10.636 -10.070 1.00 0.00 C ATOM 274 CG PRO A 19 -4.868 10.137 -11.485 1.00 0.00 C ATOM 275 CD PRO A 19 -6.261 9.528 -11.334 1.00 0.00 C ATOM 0 HA PRO A 19 -6.025 11.001 -8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.836 11.444 -10.074 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.164 9.843 -9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.857 10.949 -12.212 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.137 9.400 -11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.818 9.583 -12.269 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.202 8.475 -11.060 1.00 0.00 H new ATOM 283 N SER A 20 -6.092 13.433 -8.815 1.00 0.00 N ATOM 284 CA SER A 20 -6.150 14.882 -8.905 1.00 0.00 C ATOM 285 C SER A 20 -5.664 15.420 -7.562 1.00 0.00 C ATOM 286 O SER A 20 -5.997 14.839 -6.532 1.00 0.00 O ATOM 287 CB SER A 20 -7.576 15.341 -9.210 1.00 0.00 C ATOM 288 OG SER A 20 -7.614 16.750 -9.327 1.00 0.00 O ATOM 0 H SER A 20 -5.996 13.098 -7.856 1.00 0.00 H new ATOM 0 HA SER A 20 -5.524 15.258 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.925 14.881 -10.134 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.250 15.015 -8.417 1.00 0.00 H new ATOM 0 HG SER A 20 -8.530 17.037 -9.524 1.00 0.00 H new ATOM 294 N SER A 21 -4.852 16.483 -7.569 1.00 0.00 N ATOM 295 CA SER A 21 -4.273 17.080 -6.366 1.00 0.00 C ATOM 296 C SER A 21 -3.661 15.992 -5.472 1.00 0.00 C ATOM 297 O SER A 21 -4.041 15.823 -4.316 1.00 0.00 O ATOM 298 CB SER A 21 -5.342 17.918 -5.649 1.00 0.00 C ATOM 299 OG SER A 21 -4.732 18.861 -4.788 1.00 0.00 O ATOM 0 H SER A 21 -4.575 16.959 -8.428 1.00 0.00 H new ATOM 0 HA SER A 21 -3.457 17.752 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.962 18.433 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.001 17.266 -5.076 1.00 0.00 H new ATOM 0 HG SER A 21 -5.424 19.389 -4.339 1.00 0.00 H new ATOM 305 N SER A 22 -2.731 15.220 -6.037 1.00 0.00 N ATOM 306 CA SER A 22 -2.196 13.995 -5.458 1.00 0.00 C ATOM 307 C SER A 22 -1.689 14.181 -4.021 1.00 0.00 C ATOM 308 O SER A 22 -1.942 13.347 -3.150 1.00 0.00 O ATOM 309 CB SER A 22 -1.111 13.478 -6.409 1.00 0.00 C ATOM 310 OG SER A 22 -0.218 14.531 -6.725 1.00 0.00 O ATOM 0 H SER A 22 -2.318 15.442 -6.943 1.00 0.00 H new ATOM 0 HA SER A 22 -2.991 13.255 -5.361 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.569 12.654 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.566 13.088 -7.319 1.00 0.00 H new ATOM 0 HG SER A 22 0.477 14.200 -7.332 1.00 0.00 H new ATOM 316 N SER A 23 -0.964 15.269 -3.760 1.00 0.00 N ATOM 317 CA SER A 23 -0.544 15.665 -2.422 1.00 0.00 C ATOM 318 C SER A 23 -1.741 15.613 -1.468 1.00 0.00 C ATOM 319 O SER A 23 -1.812 14.785 -0.558 1.00 0.00 O ATOM 320 CB SER A 23 0.033 17.080 -2.519 1.00 0.00 C ATOM 321 OG SER A 23 -0.823 17.876 -3.325 1.00 0.00 O ATOM 0 H SER A 23 -0.648 15.909 -4.488 1.00 0.00 H new ATOM 0 HA SER A 23 0.215 14.988 -2.029 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.127 17.517 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.034 17.049 -2.950 1.00 0.00 H new ATOM 0 HG SER A 23 -0.460 18.784 -3.390 1.00 0.00 H new ATOM 327 N ASN A 24 -2.699 16.505 -1.719 1.00 0.00 N ATOM 328 CA ASN A 24 -3.905 16.645 -0.920 1.00 0.00 C ATOM 329 C ASN A 24 -4.672 15.336 -0.802 1.00 0.00 C ATOM 330 O ASN A 24 -5.088 14.980 0.294 1.00 0.00 O ATOM 331 CB ASN A 24 -4.799 17.750 -1.487 1.00 0.00 C ATOM 332 CG ASN A 24 -6.118 17.832 -0.726 1.00 0.00 C ATOM 333 OD1 ASN A 24 -7.154 17.404 -1.222 1.00 0.00 O ATOM 334 ND2 ASN A 24 -6.097 18.380 0.485 1.00 0.00 N ATOM 0 H ASN A 24 -2.653 17.160 -2.499 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.596 16.925 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.281 18.707 -1.428 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.995 17.558 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.958 18.453 1.027 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.220 18.728 0.872 1.00 0.00 H new ATOM 341 N TYR A 25 -4.836 14.622 -1.913 1.00 0.00 N ATOM 342 CA TYR A 25 -5.460 13.307 -1.960 1.00 0.00 C ATOM 343 C TYR A 25 -4.875 12.423 -0.858 1.00 0.00 C ATOM 344 O TYR A 25 -5.600 11.824 -0.062 1.00 0.00 O ATOM 345 CB TYR A 25 -5.205 12.704 -3.353 1.00 0.00 C ATOM 346 CG TYR A 25 -6.146 11.601 -3.819 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.229 10.383 -3.114 1.00 0.00 C ATOM 348 CD2 TYR A 25 -6.787 11.715 -5.069 1.00 0.00 C ATOM 349 CE1 TYR A 25 -6.968 9.310 -3.642 1.00 0.00 C ATOM 350 CE2 TYR A 25 -7.485 10.625 -5.618 1.00 0.00 C ATOM 351 CZ TYR A 25 -7.577 9.421 -4.901 1.00 0.00 C ATOM 352 OH TYR A 25 -8.221 8.346 -5.433 1.00 0.00 O ATOM 0 H TYR A 25 -4.530 14.953 -2.828 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.535 13.381 -1.793 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.245 13.512 -4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.189 12.310 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.724 10.274 -2.166 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.742 12.648 -5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.067 8.396 -3.076 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.949 10.713 -6.589 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.350 8.485 -6.394 1.00 0.00 H new ATOM 362 N CYS A 26 -3.544 12.336 -0.812 1.00 0.00 N ATOM 363 CA CYS A 26 -2.915 11.346 0.050 1.00 0.00 C ATOM 364 C CYS A 26 -2.881 11.827 1.491 1.00 0.00 C ATOM 365 O CYS A 26 -3.189 11.070 2.413 1.00 0.00 O ATOM 366 CB CYS A 26 -1.536 10.943 -0.449 1.00 0.00 C ATOM 367 SG CYS A 26 -1.076 9.373 0.303 1.00 0.00 S ATOM 0 H CYS A 26 -2.901 12.922 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.527 10.445 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.540 10.853 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.805 11.710 -0.195 1.00 0.00 H new ATOM 372 N ASN A 27 -2.555 13.113 1.664 1.00 0.00 N ATOM 373 CA ASN A 27 -2.657 13.805 2.943 1.00 0.00 C ATOM 374 C ASN A 27 -4.022 13.517 3.561 1.00 0.00 C ATOM 375 O ASN A 27 -4.101 13.043 4.690 1.00 0.00 O ATOM 376 CB ASN A 27 -2.480 15.322 2.766 1.00 0.00 C ATOM 377 CG ASN A 27 -1.085 15.720 2.299 1.00 0.00 C ATOM 378 OD1 ASN A 27 -0.150 14.932 2.356 1.00 0.00 O ATOM 379 ND2 ASN A 27 -0.916 16.958 1.841 1.00 0.00 N ATOM 0 H ASN A 27 -2.210 13.704 0.908 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.865 13.444 3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.213 15.684 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.693 15.818 3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.005 17.265 1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.708 17.600 1.801 1.00 0.00 H new ATOM 386 N LEU A 28 -5.090 13.785 2.805 1.00 0.00 N ATOM 387 CA LEU A 28 -6.462 13.525 3.204 1.00 0.00 C ATOM 388 C LEU A 28 -6.614 12.074 3.646 1.00 0.00 C ATOM 389 O LEU A 28 -7.051 11.835 4.769 1.00 0.00 O ATOM 390 CB LEU A 28 -7.421 13.877 2.057 1.00 0.00 C ATOM 391 CG LEU A 28 -8.864 13.405 2.296 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.491 14.084 3.520 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.704 13.715 1.053 1.00 0.00 C ATOM 0 H LEU A 28 -5.015 14.199 1.876 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.718 14.157 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.420 14.957 1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.050 13.431 1.134 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.843 12.332 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.511 13.723 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.903 13.849 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.505 15.164 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.730 13.383 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.695 14.789 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.286 13.194 0.192 1.00 0.00 H new ATOM 405 N MET A 29 -6.276 11.113 2.778 1.00 0.00 N ATOM 406 CA MET A 29 -6.413 9.698 3.105 1.00 0.00 C ATOM 407 C MET A 29 -5.786 9.382 4.466 1.00 0.00 C ATOM 408 O MET A 29 -6.478 8.927 5.377 1.00 0.00 O ATOM 409 CB MET A 29 -5.820 8.814 1.994 1.00 0.00 C ATOM 410 CG MET A 29 -6.905 8.274 1.055 1.00 0.00 C ATOM 411 SD MET A 29 -7.885 9.509 0.162 1.00 0.00 S ATOM 412 CE MET A 29 -9.088 8.420 -0.635 1.00 0.00 C ATOM 0 H MET A 29 -5.906 11.295 1.845 1.00 0.00 H new ATOM 0 HA MET A 29 -7.477 9.472 3.174 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.096 9.391 1.419 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.280 7.980 2.443 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.429 7.621 0.323 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.586 7.655 1.640 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.778 9.016 -1.232 1.00 0.00 H new ATOM 0 HE2 MET A 29 -8.567 7.713 -1.280 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.645 7.874 0.126 1.00 0.00 H new ATOM 422 N MET A 30 -4.482 9.611 4.624 1.00 0.00 N ATOM 423 CA MET A 30 -3.807 9.194 5.846 1.00 0.00 C ATOM 424 C MET A 30 -4.182 10.053 7.056 1.00 0.00 C ATOM 425 O MET A 30 -4.251 9.535 8.170 1.00 0.00 O ATOM 426 CB MET A 30 -2.305 9.011 5.629 1.00 0.00 C ATOM 427 CG MET A 30 -1.520 10.240 5.159 1.00 0.00 C ATOM 428 SD MET A 30 -0.214 9.853 3.959 1.00 0.00 S ATOM 429 CE MET A 30 0.702 8.576 4.855 1.00 0.00 C ATOM 0 H MET A 30 -3.886 10.072 3.937 1.00 0.00 H new ATOM 0 HA MET A 30 -4.180 8.203 6.105 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.866 8.665 6.565 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.162 8.216 4.897 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.212 10.954 4.712 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.073 10.728 6.025 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.657 8.399 4.361 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.878 8.905 5.879 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.123 7.653 4.866 1.00 0.00 H new ATOM 439 N CYS A 31 -4.479 11.339 6.855 1.00 0.00 N ATOM 440 CA CYS A 31 -5.029 12.187 7.908 1.00 0.00 C ATOM 441 C CYS A 31 -6.352 11.613 8.417 1.00 0.00 C ATOM 442 O CYS A 31 -6.536 11.449 9.619 1.00 0.00 O ATOM 443 CB CYS A 31 -5.226 13.617 7.402 1.00 0.00 C ATOM 444 SG CYS A 31 -5.996 14.584 8.721 1.00 0.00 S ATOM 0 H CYS A 31 -4.345 11.816 5.964 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.320 12.212 8.735 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -4.269 14.055 7.119 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.854 13.622 6.511 1.00 0.00 H new ATOM 0 HG CYS A 31 -6.173 15.807 8.316 1.00 0.00 H new ATOM 450 N CYS A 32 -7.261 11.270 7.500 1.00 0.00 N ATOM 451 CA CYS A 32 -8.532 10.631 7.822 1.00 0.00 C ATOM 452 C CYS A 32 -8.305 9.296 8.533 1.00 0.00 C ATOM 453 O CYS A 32 -8.980 8.989 9.514 1.00 0.00 O ATOM 454 CB CYS A 32 -9.356 10.440 6.546 1.00 0.00 C ATOM 455 SG CYS A 32 -10.867 9.536 6.956 1.00 0.00 S ATOM 0 H CYS A 32 -7.129 11.432 6.502 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.088 11.277 8.502 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.602 11.407 6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -8.778 9.891 5.802 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.578 9.369 5.881 1.00 0.00 H new ATOM 461 N ARG A 33 -7.336 8.514 8.051 1.00 0.00 N ATOM 462 CA ARG A 33 -6.958 7.239 8.650 1.00 0.00 C ATOM 463 C ARG A 33 -6.411 7.425 10.077 1.00 0.00 C ATOM 464 O ARG A 33 -6.658 6.590 10.944 1.00 0.00 O ATOM 465 CB ARG A 33 -5.952 6.526 7.729 1.00 0.00 C ATOM 466 CG ARG A 33 -6.073 4.996 7.734 1.00 0.00 C ATOM 467 CD ARG A 33 -7.071 4.467 6.693 1.00 0.00 C ATOM 468 NE ARG A 33 -8.450 4.868 6.996 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.216 4.328 7.955 1.00 0.00 C ATOM 470 NH1 ARG A 33 -8.770 3.294 8.679 1.00 0.00 N ATOM 471 NH2 ARG A 33 -10.426 4.842 8.194 1.00 0.00 N ATOM 0 H ARG A 33 -6.788 8.754 7.225 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.844 6.611 8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.090 6.887 6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.941 6.801 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.093 4.559 7.543 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.382 4.665 8.726 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.795 4.838 5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.011 3.379 6.654 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.857 5.615 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.841 2.911 8.503 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.359 2.889 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.759 5.637 7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.017 4.439 8.921 1.00 0.00 H new ATOM 485 N LYS A 34 -5.665 8.513 10.307 1.00 0.00 N ATOM 486 CA LYS A 34 -5.103 8.949 11.587 1.00 0.00 C ATOM 487 C LYS A 34 -3.905 8.111 12.042 1.00 0.00 C ATOM 488 O LYS A 34 -3.466 8.221 13.186 1.00 0.00 O ATOM 489 CB LYS A 34 -6.172 9.100 12.686 1.00 0.00 C ATOM 490 CG LYS A 34 -7.194 10.167 12.286 1.00 0.00 C ATOM 491 CD LYS A 34 -8.362 10.251 13.273 1.00 0.00 C ATOM 492 CE LYS A 34 -9.304 11.404 12.902 1.00 0.00 C ATOM 493 NZ LYS A 34 -9.770 11.310 11.505 1.00 0.00 N ATOM 0 H LYS A 34 -5.423 9.154 9.551 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.708 9.948 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.675 8.147 12.848 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.699 9.375 13.629 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.700 11.137 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.578 9.944 11.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.913 9.310 13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.981 10.397 14.284 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.164 11.399 13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.790 12.354 13.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.771 11.589 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.202 11.943 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.666 10.331 11.169 1.00 0.00 H new ATOM 507 N MET A 35 -3.283 7.350 11.136 1.00 0.00 N ATOM 508 CA MET A 35 -2.028 6.664 11.441 1.00 0.00 C ATOM 509 C MET A 35 -0.891 7.672 11.672 1.00 0.00 C ATOM 510 O MET A 35 0.189 7.290 12.110 1.00 0.00 O ATOM 511 CB MET A 35 -1.698 5.653 10.336 1.00 0.00 C ATOM 512 CG MET A 35 -2.462 4.325 10.471 1.00 0.00 C ATOM 513 SD MET A 35 -4.275 4.380 10.528 1.00 0.00 S ATOM 514 CE MET A 35 -4.617 4.487 12.302 1.00 0.00 C ATOM 0 H MET A 35 -3.628 7.195 10.189 1.00 0.00 H new ATOM 0 HA MET A 35 -2.144 6.108 12.371 1.00 0.00 H new ATOM 0 HB2 MET A 35 -1.927 6.098 9.368 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.627 5.450 10.348 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.174 3.689 9.634 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.115 3.832 11.379 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.330 3.711 12.583 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.691 4.348 12.860 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.036 5.466 12.533 1.00 0.00 H new ATOM 524 N THR A 36 -1.138 8.957 11.411 1.00 0.00 N ATOM 525 CA THR A 36 -0.270 10.067 11.740 1.00 0.00 C ATOM 526 C THR A 36 -0.287 10.422 13.238 1.00 0.00 C ATOM 527 O THR A 36 0.489 11.278 13.669 1.00 0.00 O ATOM 528 CB THR A 36 -0.732 11.249 10.877 1.00 0.00 C ATOM 529 OG1 THR A 36 -2.149 11.277 10.885 1.00 0.00 O ATOM 530 CG2 THR A 36 -0.273 11.074 9.425 1.00 0.00 C ATOM 0 H THR A 36 -1.993 9.256 10.942 1.00 0.00 H new ATOM 0 HA THR A 36 0.766 9.801 11.532 1.00 0.00 H new ATOM 0 HB THR A 36 -0.307 12.168 11.280 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.464 12.028 10.340 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.612 11.923 8.832 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.815 11.019 9.392 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.696 10.155 9.018 1.00 0.00 H new ATOM 538 N GLN A 37 -1.179 9.816 14.034 1.00 0.00 N ATOM 539 CA GLN A 37 -1.300 10.099 15.458 1.00 0.00 C ATOM 540 C GLN A 37 0.040 9.908 16.180 1.00 0.00 C ATOM 541 O GLN A 37 0.600 8.811 16.195 1.00 0.00 O ATOM 542 CB GLN A 37 -2.389 9.201 16.065 1.00 0.00 C ATOM 543 CG GLN A 37 -2.622 9.493 17.555 1.00 0.00 C ATOM 544 CD GLN A 37 -3.728 8.627 18.155 1.00 0.00 C ATOM 545 OE1 GLN A 37 -4.284 7.753 17.500 1.00 0.00 O ATOM 546 NE2 GLN A 37 -4.057 8.859 19.423 1.00 0.00 N ATOM 0 H GLN A 37 -1.837 9.113 13.699 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.586 11.143 15.587 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.321 9.345 15.519 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.105 8.156 15.942 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.695 9.325 18.104 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.880 10.545 17.680 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.580 9.592 19.948 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.786 8.304 19.870 1.00 0.00 H new ATOM 555 N GLY A 38 0.553 10.971 16.806 1.00 0.00 N ATOM 556 CA GLY A 38 1.760 10.926 17.618 1.00 0.00 C ATOM 557 C GLY A 38 3.012 10.974 16.747 1.00 0.00 C ATOM 558 O GLY A 38 3.861 11.843 16.929 1.00 0.00 O ATOM 0 H GLY A 38 0.131 11.898 16.759 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.765 11.765 18.314 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.765 10.015 18.217 1.00 0.00 H new ATOM 562 N LYS A 39 3.124 10.037 15.805 1.00 0.00 N ATOM 563 CA LYS A 39 4.229 9.926 14.867 1.00 0.00 C ATOM 564 C LYS A 39 3.649 9.767 13.465 1.00 0.00 C ATOM 565 O LYS A 39 2.643 9.088 13.278 1.00 0.00 O ATOM 566 CB LYS A 39 5.175 8.766 15.239 1.00 0.00 C ATOM 567 CG LYS A 39 4.604 7.700 16.191 1.00 0.00 C ATOM 568 CD LYS A 39 3.524 6.835 15.523 1.00 0.00 C ATOM 569 CE LYS A 39 2.834 5.902 16.522 1.00 0.00 C ATOM 570 NZ LYS A 39 2.025 6.659 17.495 1.00 0.00 N ATOM 0 H LYS A 39 2.420 9.311 15.674 1.00 0.00 H new ATOM 0 HA LYS A 39 4.839 10.829 14.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.488 8.271 14.320 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.071 9.188 15.695 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.413 7.059 16.542 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.182 8.189 17.069 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.780 7.481 15.057 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.975 6.243 14.727 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.197 5.199 15.985 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.584 5.313 17.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.344 6.020 17.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.648 7.074 18.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.511 7.418 17.003 1.00 0.00 H new ATOM 584 N CYS A 40 4.273 10.412 12.480 1.00 0.00 N ATOM 585 CA CYS A 40 3.819 10.371 11.101 1.00 0.00 C ATOM 586 C CYS A 40 4.542 9.249 10.378 1.00 0.00 C ATOM 587 O CYS A 40 5.770 9.215 10.360 1.00 0.00 O ATOM 588 CB CYS A 40 3.982 11.741 10.444 1.00 0.00 C ATOM 589 SG CYS A 40 2.667 12.871 10.953 1.00 0.00 S ATOM 0 H CYS A 40 5.110 10.978 12.622 1.00 0.00 H new ATOM 0 HA CYS A 40 2.753 10.150 11.050 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.951 12.162 10.712 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.971 11.631 9.360 1.00 0.00 H new ATOM 594 N LYS A 41 3.777 8.306 9.817 1.00 0.00 N ATOM 595 CA LYS A 41 4.321 7.217 9.021 1.00 0.00 C ATOM 596 C LYS A 41 5.235 7.820 7.948 1.00 0.00 C ATOM 597 O LYS A 41 4.814 8.774 7.295 1.00 0.00 O ATOM 598 CB LYS A 41 3.176 6.428 8.370 1.00 0.00 C ATOM 599 CG LYS A 41 2.155 5.823 9.349 1.00 0.00 C ATOM 600 CD LYS A 41 2.741 4.741 10.269 1.00 0.00 C ATOM 601 CE LYS A 41 3.091 5.277 11.664 1.00 0.00 C ATOM 602 NZ LYS A 41 3.646 4.210 12.514 1.00 0.00 N ATOM 0 H LYS A 41 2.761 8.283 9.907 1.00 0.00 H new ATOM 0 HA LYS A 41 4.891 6.533 9.649 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.648 7.088 7.681 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.605 5.622 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.738 6.621 9.963 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.330 5.394 8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.024 3.926 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.637 4.325 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.813 6.089 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.199 5.693 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.591 4.497 13.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.100 3.336 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.640 4.042 12.256 1.00 0.00 H new ATOM 616 N PRO A 42 6.470 7.330 7.769 1.00 0.00 N ATOM 617 CA PRO A 42 7.430 7.978 6.893 1.00 0.00 C ATOM 618 C PRO A 42 6.989 7.879 5.432 1.00 0.00 C ATOM 619 O PRO A 42 7.023 8.872 4.700 1.00 0.00 O ATOM 620 CB PRO A 42 8.768 7.289 7.171 1.00 0.00 C ATOM 621 CG PRO A 42 8.373 5.914 7.713 1.00 0.00 C ATOM 622 CD PRO A 42 7.067 6.197 8.456 1.00 0.00 C ATOM 0 HA PRO A 42 7.514 9.048 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 42 9.368 7.203 6.265 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.361 7.848 7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.232 5.190 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.136 5.508 8.378 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.406 5.331 8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.254 6.427 9.505 1.00 0.00 H new ATOM 630 N VAL A 43 6.576 6.675 5.022 1.00 0.00 N ATOM 631 CA VAL A 43 6.155 6.363 3.669 1.00 0.00 C ATOM 632 C VAL A 43 4.923 5.462 3.746 1.00 0.00 C ATOM 633 O VAL A 43 4.837 4.644 4.663 1.00 0.00 O ATOM 634 CB VAL A 43 7.282 5.643 2.904 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.989 5.616 1.398 1.00 0.00 C ATOM 636 CG2 VAL A 43 8.660 6.279 3.124 1.00 0.00 C ATOM 0 H VAL A 43 6.527 5.872 5.649 1.00 0.00 H new ATOM 0 HA VAL A 43 5.919 7.284 3.137 1.00 0.00 H new ATOM 0 HB VAL A 43 7.310 4.630 3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.798 5.103 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.052 5.089 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.908 6.637 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.410 5.726 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.641 7.315 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.910 6.249 4.185 1.00 0.00 H new ATOM 646 N ASN A 44 3.987 5.592 2.802 1.00 0.00 N ATOM 647 CA ASN A 44 2.958 4.579 2.572 1.00 0.00 C ATOM 648 C ASN A 44 2.769 4.460 1.062 1.00 0.00 C ATOM 649 O ASN A 44 2.559 5.468 0.386 1.00 0.00 O ATOM 650 CB ASN A 44 1.643 4.887 3.304 1.00 0.00 C ATOM 651 CG ASN A 44 0.654 3.714 3.223 1.00 0.00 C ATOM 652 OD1 ASN A 44 0.997 2.628 2.764 1.00 0.00 O ATOM 653 ND2 ASN A 44 -0.575 3.908 3.694 1.00 0.00 N ATOM 0 H ASN A 44 3.922 6.398 2.180 1.00 0.00 H new ATOM 0 HA ASN A 44 3.281 3.625 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.854 5.113 4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.187 5.777 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.253 3.146 3.678 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.839 4.818 4.071 1.00 0.00 H new ATOM 660 N THR A 45 2.904 3.242 0.536 1.00 0.00 N ATOM 661 CA THR A 45 2.995 2.970 -0.890 1.00 0.00 C ATOM 662 C THR A 45 1.660 2.448 -1.399 1.00 0.00 C ATOM 663 O THR A 45 1.548 1.314 -1.862 1.00 0.00 O ATOM 664 CB THR A 45 4.187 2.036 -1.141 1.00 0.00 C ATOM 665 OG1 THR A 45 5.313 2.574 -0.476 1.00 0.00 O ATOM 666 CG2 THR A 45 4.494 1.926 -2.633 1.00 0.00 C ATOM 0 H THR A 45 2.954 2.399 1.109 1.00 0.00 H new ATOM 0 HA THR A 45 3.189 3.877 -1.462 1.00 0.00 H new ATOM 0 HB THR A 45 3.947 1.040 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.740 3.246 -1.047 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.343 1.258 -2.782 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.624 1.528 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.735 2.913 -3.029 1.00 0.00 H new ATOM 674 N PHE A 46 0.640 3.294 -1.283 1.00 0.00 N ATOM 675 CA PHE A 46 -0.739 2.897 -1.511 1.00 0.00 C ATOM 676 C PHE A 46 -0.943 2.354 -2.931 1.00 0.00 C ATOM 677 O PHE A 46 -0.823 3.109 -3.897 1.00 0.00 O ATOM 678 CB PHE A 46 -1.668 4.093 -1.282 1.00 0.00 C ATOM 679 CG PHE A 46 -1.797 4.623 0.135 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.956 5.663 0.577 1.00 0.00 C ATOM 681 CD2 PHE A 46 -2.934 4.285 0.894 1.00 0.00 C ATOM 682 CE1 PHE A 46 -1.274 6.378 1.746 1.00 0.00 C ATOM 683 CE2 PHE A 46 -3.256 5.006 2.055 1.00 0.00 C ATOM 684 CZ PHE A 46 -2.446 6.078 2.461 1.00 0.00 C ATOM 0 H PHE A 46 0.751 4.275 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.977 2.100 -0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.325 4.911 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.664 3.816 -1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.066 5.912 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.563 3.465 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.616 7.160 2.095 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.126 4.736 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.723 6.671 3.320 1.00 0.00 H new ATOM 694 N VAL A 47 -1.287 1.070 -3.067 1.00 0.00 N ATOM 695 CA VAL A 47 -1.530 0.433 -4.359 1.00 0.00 C ATOM 696 C VAL A 47 -2.849 0.964 -4.933 1.00 0.00 C ATOM 697 O VAL A 47 -3.921 0.555 -4.490 1.00 0.00 O ATOM 698 CB VAL A 47 -1.552 -1.101 -4.205 1.00 0.00 C ATOM 699 CG1 VAL A 47 -1.791 -1.788 -5.558 1.00 0.00 C ATOM 700 CG2 VAL A 47 -0.253 -1.657 -3.609 1.00 0.00 C ATOM 0 H VAL A 47 -1.405 0.440 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.725 0.675 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.371 -1.316 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.802 -2.869 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.749 -1.465 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.992 -1.518 -6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.326 -2.741 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.584 -1.400 -4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.092 -1.226 -2.621 1.00 0.00 H new ATOM 710 N HIS A 48 -2.787 1.862 -5.919 1.00 0.00 N ATOM 711 CA HIS A 48 -3.981 2.445 -6.521 1.00 0.00 C ATOM 712 C HIS A 48 -4.432 1.599 -7.710 1.00 0.00 C ATOM 713 O HIS A 48 -4.503 2.102 -8.829 1.00 0.00 O ATOM 714 CB HIS A 48 -3.714 3.906 -6.920 1.00 0.00 C ATOM 715 CG HIS A 48 -3.796 4.868 -5.764 1.00 0.00 C ATOM 716 ND1 HIS A 48 -3.106 4.768 -4.571 1.00 0.00 N ATOM 717 CD2 HIS A 48 -4.655 5.929 -5.675 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.542 5.761 -3.772 1.00 0.00 C ATOM 719 NE2 HIS A 48 -4.485 6.471 -4.418 1.00 0.00 N ATOM 0 H HIS A 48 -1.912 2.202 -6.318 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.792 2.449 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.724 3.976 -7.372 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.434 4.204 -7.682 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -2.398 4.072 -4.339 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.334 6.275 -6.440 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.190 5.957 -2.770 1.00 0.00 H new ATOM 728 N GLU A 49 -4.742 0.317 -7.487 1.00 0.00 N ATOM 729 CA GLU A 49 -5.186 -0.556 -8.566 1.00 0.00 C ATOM 730 C GLU A 49 -6.104 -1.661 -8.042 1.00 0.00 C ATOM 731 O GLU A 49 -6.099 -1.979 -6.855 1.00 0.00 O ATOM 732 CB GLU A 49 -3.969 -1.095 -9.336 1.00 0.00 C ATOM 733 CG GLU A 49 -4.340 -1.570 -10.750 1.00 0.00 C ATOM 734 CD GLU A 49 -3.109 -1.769 -11.629 1.00 0.00 C ATOM 735 OE1 GLU A 49 -2.367 -0.776 -11.806 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.933 -2.913 -12.099 1.00 0.00 O ATOM 0 H GLU A 49 -4.692 -0.132 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.787 0.018 -9.271 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.210 -0.316 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.527 -1.923 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.893 -2.507 -10.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.003 -0.840 -11.215 1.00 0.00 H new ATOM 743 N SER A 50 -6.920 -2.200 -8.948 1.00 0.00 N ATOM 744 CA SER A 50 -8.027 -3.107 -8.718 1.00 0.00 C ATOM 745 C SER A 50 -7.681 -4.285 -7.805 1.00 0.00 C ATOM 746 O SER A 50 -6.728 -5.023 -8.059 1.00 0.00 O ATOM 747 CB SER A 50 -8.501 -3.593 -10.091 1.00 0.00 C ATOM 748 OG SER A 50 -8.481 -2.495 -10.988 1.00 0.00 O ATOM 0 H SER A 50 -6.808 -1.992 -9.940 1.00 0.00 H new ATOM 0 HA SER A 50 -8.815 -2.573 -8.187 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.854 -4.391 -10.455 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.507 -4.006 -10.020 1.00 0.00 H new ATOM 0 HG SER A 50 -8.781 -2.790 -11.873 1.00 0.00 H new ATOM 754 N LEU A 51 -8.515 -4.506 -6.785 1.00 0.00 N ATOM 755 CA LEU A 51 -8.338 -5.585 -5.823 1.00 0.00 C ATOM 756 C LEU A 51 -8.188 -6.944 -6.501 1.00 0.00 C ATOM 757 O LEU A 51 -7.373 -7.754 -6.073 1.00 0.00 O ATOM 758 CB LEU A 51 -9.443 -5.537 -4.757 1.00 0.00 C ATOM 759 CG LEU A 51 -10.856 -5.902 -5.251 1.00 0.00 C ATOM 760 CD1 LEU A 51 -11.165 -7.390 -5.029 1.00 0.00 C ATOM 761 CD2 LEU A 51 -11.898 -5.078 -4.486 1.00 0.00 C ATOM 0 H LEU A 51 -9.339 -3.932 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.393 -5.434 -5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.173 -6.216 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.473 -4.533 -4.334 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.896 -5.687 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.170 -7.611 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.442 -7.997 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.102 -7.620 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.897 -5.338 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.821 -5.293 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.719 -4.016 -4.656 1.00 0.00 H new ATOM 773 N ALA A 52 -8.929 -7.181 -7.587 1.00 0.00 N ATOM 774 CA ALA A 52 -8.799 -8.395 -8.378 1.00 0.00 C ATOM 775 C ALA A 52 -7.359 -8.589 -8.861 1.00 0.00 C ATOM 776 O ALA A 52 -6.818 -9.691 -8.777 1.00 0.00 O ATOM 777 CB ALA A 52 -9.776 -8.353 -9.555 1.00 0.00 C ATOM 0 H ALA A 52 -9.634 -6.533 -7.938 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.046 -9.250 -7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.675 -9.264 -10.144 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.796 -8.276 -9.179 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.554 -7.489 -10.182 1.00 0.00 H new ATOM 783 N ASP A 53 -6.730 -7.509 -9.340 1.00 0.00 N ATOM 784 CA ASP A 53 -5.335 -7.541 -9.751 1.00 0.00 C ATOM 785 C ASP A 53 -4.457 -7.982 -8.585 1.00 0.00 C ATOM 786 O ASP A 53 -3.677 -8.925 -8.699 1.00 0.00 O ATOM 787 CB ASP A 53 -4.906 -6.177 -10.320 1.00 0.00 C ATOM 788 CG ASP A 53 -3.833 -6.355 -11.389 1.00 0.00 C ATOM 789 OD1 ASP A 53 -2.680 -6.631 -10.994 1.00 0.00 O ATOM 790 OD2 ASP A 53 -4.189 -6.235 -12.581 1.00 0.00 O ATOM 0 H ASP A 53 -7.176 -6.598 -9.450 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.212 -8.272 -10.550 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.770 -5.666 -10.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.526 -5.545 -9.517 1.00 0.00 H new ATOM 795 N VAL A 54 -4.619 -7.316 -7.443 1.00 0.00 N ATOM 796 CA VAL A 54 -3.813 -7.590 -6.261 1.00 0.00 C ATOM 797 C VAL A 54 -4.031 -9.032 -5.778 1.00 0.00 C ATOM 798 O VAL A 54 -3.083 -9.707 -5.377 1.00 0.00 O ATOM 799 CB VAL A 54 -4.091 -6.520 -5.192 1.00 0.00 C ATOM 800 CG1 VAL A 54 -3.380 -6.826 -3.869 1.00 0.00 C ATOM 801 CG2 VAL A 54 -3.607 -5.161 -5.716 1.00 0.00 C ATOM 0 H VAL A 54 -5.309 -6.576 -7.314 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.752 -7.524 -6.501 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.164 -6.509 -4.998 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.606 -6.043 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.724 -7.786 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.304 -6.867 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.799 -4.393 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.537 -5.210 -5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.141 -4.914 -6.634 1.00 0.00 H new ATOM 811 N LYS A 55 -5.265 -9.537 -5.830 1.00 0.00 N ATOM 812 CA LYS A 55 -5.547 -10.915 -5.469 1.00 0.00 C ATOM 813 C LYS A 55 -4.869 -11.884 -6.432 1.00 0.00 C ATOM 814 O LYS A 55 -4.235 -12.838 -5.985 1.00 0.00 O ATOM 815 CB LYS A 55 -7.063 -11.164 -5.404 1.00 0.00 C ATOM 816 CG LYS A 55 -7.595 -11.189 -3.966 1.00 0.00 C ATOM 817 CD LYS A 55 -7.169 -12.430 -3.159 1.00 0.00 C ATOM 818 CE LYS A 55 -7.692 -13.748 -3.743 1.00 0.00 C ATOM 819 NZ LYS A 55 -7.534 -14.858 -2.785 1.00 0.00 N ATOM 0 H LYS A 55 -6.084 -9.004 -6.121 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.135 -11.095 -4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.580 -10.385 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.293 -12.113 -5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.250 -10.295 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.684 -11.142 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.081 -12.468 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.527 -12.328 -2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.744 -13.639 -4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.155 -13.979 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.585 -15.764 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.612 -14.778 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.293 -14.815 -2.076 1.00 0.00 H new ATOM 833 N ALA A 56 -4.990 -11.646 -7.742 1.00 0.00 N ATOM 834 CA ALA A 56 -4.295 -12.458 -8.731 1.00 0.00 C ATOM 835 C ALA A 56 -2.805 -12.506 -8.387 1.00 0.00 C ATOM 836 O ALA A 56 -2.250 -13.583 -8.191 1.00 0.00 O ATOM 837 CB ALA A 56 -4.546 -11.918 -10.142 1.00 0.00 C ATOM 0 H ALA A 56 -5.562 -10.899 -8.136 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.681 -13.477 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.019 -12.537 -10.868 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.615 -11.939 -10.355 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.183 -10.892 -10.209 1.00 0.00 H new ATOM 843 N VAL A 57 -2.184 -11.331 -8.251 1.00 0.00 N ATOM 844 CA VAL A 57 -0.805 -11.155 -7.805 1.00 0.00 C ATOM 845 C VAL A 57 -0.489 -12.008 -6.571 1.00 0.00 C ATOM 846 O VAL A 57 0.527 -12.701 -6.542 1.00 0.00 O ATOM 847 CB VAL A 57 -0.567 -9.658 -7.561 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.699 -9.380 -6.742 1.00 0.00 C ATOM 849 CG2 VAL A 57 -0.478 -8.919 -8.904 1.00 0.00 C ATOM 0 H VAL A 57 -2.647 -10.446 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.120 -11.505 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.415 -9.295 -6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.813 -8.305 -6.603 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.617 -9.865 -5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.568 -9.772 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.309 -7.857 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.348 -9.324 -9.488 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.410 -9.050 -9.454 1.00 0.00 H new ATOM 859 N CYS A 58 -1.363 -11.981 -5.561 1.00 0.00 N ATOM 860 CA CYS A 58 -1.198 -12.741 -4.320 1.00 0.00 C ATOM 861 C CYS A 58 -1.035 -14.241 -4.580 1.00 0.00 C ATOM 862 O CYS A 58 -0.531 -14.955 -3.719 1.00 0.00 O ATOM 863 CB CYS A 58 -2.383 -12.469 -3.384 1.00 0.00 C ATOM 864 SG CYS A 58 -2.050 -12.356 -1.609 1.00 0.00 S ATOM 0 H CYS A 58 -2.216 -11.423 -5.583 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.279 -12.406 -3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.849 -11.535 -3.697 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.118 -13.259 -3.537 1.00 0.00 H new ATOM 869 N SER A 59 -1.452 -14.719 -5.759 1.00 0.00 N ATOM 870 CA SER A 59 -1.263 -16.091 -6.206 1.00 0.00 C ATOM 871 C SER A 59 -0.531 -16.147 -7.560 1.00 0.00 C ATOM 872 O SER A 59 -0.808 -17.033 -8.367 1.00 0.00 O ATOM 873 CB SER A 59 -2.633 -16.786 -6.244 1.00 0.00 C ATOM 874 OG SER A 59 -2.496 -18.182 -6.051 1.00 0.00 O ATOM 0 H SER A 59 -1.942 -14.141 -6.441 1.00 0.00 H new ATOM 0 HA SER A 59 -0.621 -16.625 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.278 -16.369 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.117 -16.593 -7.201 1.00 0.00 H new ATOM 0 HG SER A 59 -3.380 -18.604 -6.077 1.00 0.00 H new ATOM 880 N GLN A 60 0.406 -15.223 -7.820 1.00 0.00 N ATOM 881 CA GLN A 60 1.316 -15.316 -8.963 1.00 0.00 C ATOM 882 C GLN A 60 2.620 -15.975 -8.504 1.00 0.00 C ATOM 883 O GLN A 60 2.625 -17.170 -8.214 1.00 0.00 O ATOM 884 CB GLN A 60 1.515 -13.950 -9.645 1.00 0.00 C ATOM 885 CG GLN A 60 0.308 -13.605 -10.528 1.00 0.00 C ATOM 886 CD GLN A 60 0.383 -12.197 -11.112 1.00 0.00 C ATOM 887 OE1 GLN A 60 1.421 -11.545 -11.075 1.00 0.00 O ATOM 888 NE2 GLN A 60 -0.725 -11.699 -11.653 1.00 0.00 N ATOM 0 H GLN A 60 0.551 -14.394 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 60 0.880 -15.948 -9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.652 -13.177 -8.889 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.421 -13.968 -10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.241 -14.327 -11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.605 -13.701 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.578 -12.258 -11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.722 -10.758 -12.047 1.00 0.00 H new ATOM 897 N LYS A 61 3.728 -15.228 -8.438 1.00 0.00 N ATOM 898 CA LYS A 61 5.046 -15.805 -8.208 1.00 0.00 C ATOM 899 C LYS A 61 5.491 -15.535 -6.778 1.00 0.00 C ATOM 900 O LYS A 61 5.920 -14.428 -6.450 1.00 0.00 O ATOM 901 CB LYS A 61 6.033 -15.241 -9.228 1.00 0.00 C ATOM 902 CG LYS A 61 7.403 -15.942 -9.236 1.00 0.00 C ATOM 903 CD LYS A 61 7.365 -17.438 -9.593 1.00 0.00 C ATOM 904 CE LYS A 61 6.629 -17.715 -10.911 1.00 0.00 C ATOM 905 NZ LYS A 61 6.780 -19.119 -11.331 1.00 0.00 N ATOM 0 H LYS A 61 3.731 -14.213 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 61 5.007 -16.886 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.593 -15.317 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.181 -14.180 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.052 -15.430 -9.947 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.858 -15.830 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.385 -17.816 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.878 -17.987 -8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.571 -17.481 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.016 -17.058 -11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.270 -19.271 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.788 -19.334 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.388 -19.745 -10.598 1.00 0.00 H new ATOM 919 N LYS A 62 5.397 -16.568 -5.942 1.00 0.00 N ATOM 920 CA LYS A 62 5.919 -16.553 -4.587 1.00 0.00 C ATOM 921 C LYS A 62 7.425 -16.279 -4.632 1.00 0.00 C ATOM 922 O LYS A 62 8.119 -16.800 -5.504 1.00 0.00 O ATOM 923 CB LYS A 62 5.605 -17.884 -3.890 1.00 0.00 C ATOM 924 CG LYS A 62 5.864 -17.796 -2.378 1.00 0.00 C ATOM 925 CD LYS A 62 5.642 -19.138 -1.668 1.00 0.00 C ATOM 926 CE LYS A 62 4.175 -19.579 -1.699 1.00 0.00 C ATOM 927 NZ LYS A 62 3.960 -20.773 -0.864 1.00 0.00 N ATOM 0 H LYS A 62 4.949 -17.448 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 62 5.443 -15.760 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.564 -18.154 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.217 -18.676 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.887 -17.462 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.206 -17.044 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.259 -19.903 -2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.973 -19.057 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.541 -18.766 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.878 -19.792 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.988 -21.119 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.633 -21.516 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.107 -20.528 0.136 1.00 0.00 H new ATOM 941 N VAL A 63 7.924 -15.481 -3.688 1.00 0.00 N ATOM 942 CA VAL A 63 9.340 -15.233 -3.481 1.00 0.00 C ATOM 943 C VAL A 63 9.638 -15.364 -1.988 1.00 0.00 C ATOM 944 O VAL A 63 8.763 -15.150 -1.149 1.00 0.00 O ATOM 945 CB VAL A 63 9.743 -13.851 -4.028 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.594 -13.798 -5.554 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.939 -12.702 -3.403 1.00 0.00 C ATOM 0 H VAL A 63 7.331 -14.977 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 63 9.932 -15.966 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 63 10.789 -13.715 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.885 -12.811 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.235 -14.554 -6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.556 -13.992 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.268 -11.754 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.879 -12.844 -3.611 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.098 -12.691 -2.325 1.00 0.00 H new ATOM 957 N THR A 64 10.871 -15.740 -1.653 1.00 0.00 N ATOM 958 CA THR A 64 11.300 -15.892 -0.275 1.00 0.00 C ATOM 959 C THR A 64 11.477 -14.505 0.344 1.00 0.00 C ATOM 960 O THR A 64 12.437 -13.801 0.037 1.00 0.00 O ATOM 961 CB THR A 64 12.596 -16.708 -0.239 1.00 0.00 C ATOM 962 OG1 THR A 64 12.486 -17.799 -1.134 1.00 0.00 O ATOM 963 CG2 THR A 64 12.888 -17.231 1.171 1.00 0.00 C ATOM 0 H THR A 64 11.599 -15.947 -2.337 1.00 0.00 H new ATOM 0 HA THR A 64 10.553 -16.429 0.309 1.00 0.00 H new ATOM 0 HB THR A 64 13.419 -16.058 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 64 13.314 -18.323 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.814 -17.806 1.161 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.990 -16.390 1.857 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.068 -17.870 1.499 1.00 0.00 H new ATOM 971 N CYS A 65 10.539 -14.104 1.200 1.00 0.00 N ATOM 972 CA CYS A 65 10.570 -12.822 1.881 1.00 0.00 C ATOM 973 C CYS A 65 11.798 -12.722 2.779 1.00 0.00 C ATOM 974 O CYS A 65 12.363 -13.744 3.174 1.00 0.00 O ATOM 975 CB CYS A 65 9.326 -12.684 2.758 1.00 0.00 C ATOM 976 SG CYS A 65 7.753 -13.107 1.981 1.00 0.00 S ATOM 0 H CYS A 65 9.727 -14.672 1.440 1.00 0.00 H new ATOM 0 HA CYS A 65 10.602 -12.034 1.129 1.00 0.00 H new ATOM 0 HB2 CYS A 65 9.455 -13.315 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 65 9.268 -11.654 3.111 1.00 0.00 H new ATOM 981 N LYS A 66 12.138 -11.502 3.207 1.00 0.00 N ATOM 982 CA LYS A 66 13.180 -11.229 4.196 1.00 0.00 C ATOM 983 C LYS A 66 12.703 -11.592 5.612 1.00 0.00 C ATOM 984 O LYS A 66 12.770 -10.789 6.539 1.00 0.00 O ATOM 985 CB LYS A 66 13.574 -9.749 4.108 1.00 0.00 C ATOM 986 CG LYS A 66 14.200 -9.345 2.763 1.00 0.00 C ATOM 987 CD LYS A 66 15.623 -9.880 2.536 1.00 0.00 C ATOM 988 CE LYS A 66 16.631 -9.300 3.539 1.00 0.00 C ATOM 989 NZ LYS A 66 18.015 -9.658 3.181 1.00 0.00 N ATOM 0 H LYS A 66 11.683 -10.656 2.865 1.00 0.00 H new ATOM 0 HA LYS A 66 14.053 -11.846 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.689 -9.137 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.280 -9.524 4.907 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.559 -9.701 1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.220 -8.257 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 66 15.617 -10.967 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 66 15.942 -9.638 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 66 16.531 -8.215 3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 66 16.405 -9.670 4.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.670 -9.251 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.115 -10.693 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 18.237 -9.283 2.237 1.00 0.00 H new ATOM 1003 N ASP A 67 12.205 -12.817 5.759 1.00 0.00 N ATOM 1004 CA ASP A 67 11.634 -13.401 6.956 1.00 0.00 C ATOM 1005 C ASP A 67 11.850 -14.916 6.944 1.00 0.00 C ATOM 1006 O ASP A 67 12.172 -15.506 7.969 1.00 0.00 O ATOM 1007 CB ASP A 67 10.138 -13.137 6.976 1.00 0.00 C ATOM 1008 CG ASP A 67 9.761 -11.670 7.154 1.00 0.00 C ATOM 1009 OD1 ASP A 67 9.920 -11.175 8.289 1.00 0.00 O ATOM 1010 OD2 ASP A 67 9.287 -11.082 6.155 1.00 0.00 O ATOM 0 H ASP A 67 12.192 -13.474 4.979 1.00 0.00 H new ATOM 0 HA ASP A 67 12.113 -12.961 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 67 9.704 -13.501 6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.690 -13.716 7.784 1.00 0.00 H new ATOM 1015 N GLY A 68 11.608 -15.555 5.791 1.00 0.00 N ATOM 1016 CA GLY A 68 11.564 -17.007 5.693 1.00 0.00 C ATOM 1017 C GLY A 68 10.397 -17.574 6.506 1.00 0.00 C ATOM 1018 O GLY A 68 10.536 -18.605 7.159 1.00 0.00 O ATOM 0 H GLY A 68 11.439 -15.075 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.462 -17.302 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.502 -17.429 6.053 1.00 0.00 H new ATOM 1022 N GLN A 69 9.245 -16.896 6.463 1.00 0.00 N ATOM 1023 CA GLN A 69 8.047 -17.266 7.204 1.00 0.00 C ATOM 1024 C GLN A 69 6.824 -16.717 6.471 1.00 0.00 C ATOM 1025 O GLN A 69 5.959 -17.467 6.015 1.00 0.00 O ATOM 1026 CB GLN A 69 8.156 -16.718 8.631 1.00 0.00 C ATOM 1027 CG GLN A 69 7.046 -17.261 9.540 1.00 0.00 C ATOM 1028 CD GLN A 69 7.163 -16.734 10.968 1.00 0.00 C ATOM 1029 OE1 GLN A 69 7.764 -15.694 11.213 1.00 0.00 O ATOM 1030 NE2 GLN A 69 6.582 -17.443 11.932 1.00 0.00 N ATOM 0 H GLN A 69 9.123 -16.056 5.897 1.00 0.00 H new ATOM 0 HA GLN A 69 7.943 -18.349 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.128 -16.982 9.048 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.105 -15.629 8.607 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.075 -16.984 9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.088 -18.350 9.552 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.087 -18.305 11.703 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.631 -17.124 12.900 1.00 0.00 H new ATOM 1039 N THR A 70 6.762 -15.392 6.332 1.00 0.00 N ATOM 1040 CA THR A 70 5.814 -14.736 5.469 1.00 0.00 C ATOM 1041 C THR A 70 6.008 -15.305 4.066 1.00 0.00 C ATOM 1042 O THR A 70 7.124 -15.603 3.639 1.00 0.00 O ATOM 1043 CB THR A 70 6.070 -13.226 5.521 1.00 0.00 C ATOM 1044 OG1 THR A 70 7.465 -13.018 5.492 1.00 0.00 O ATOM 1045 CG2 THR A 70 5.525 -12.627 6.821 1.00 0.00 C ATOM 0 H THR A 70 7.381 -14.749 6.826 1.00 0.00 H new ATOM 0 HA THR A 70 4.783 -14.906 5.779 1.00 0.00 H new ATOM 0 HB THR A 70 5.574 -12.750 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 70 7.664 -12.096 5.757 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.718 -11.554 6.836 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.451 -12.804 6.881 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.018 -13.096 7.672 1.00 0.00 H new ATOM 1053 N ASN A 71 4.889 -15.506 3.386 1.00 0.00 N ATOM 1054 CA ASN A 71 4.820 -15.999 2.022 1.00 0.00 C ATOM 1055 C ASN A 71 4.338 -14.821 1.181 1.00 0.00 C ATOM 1056 O ASN A 71 3.161 -14.458 1.222 1.00 0.00 O ATOM 1057 CB ASN A 71 3.859 -17.193 1.953 1.00 0.00 C ATOM 1058 CG ASN A 71 4.511 -18.514 2.367 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.512 -19.466 1.593 1.00 0.00 O ATOM 1060 ND2 ASN A 71 5.073 -18.621 3.570 1.00 0.00 N ATOM 0 H ASN A 71 3.969 -15.322 3.787 1.00 0.00 H new ATOM 0 HA ASN A 71 5.781 -16.357 1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.002 -17.000 2.599 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.477 -17.286 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.508 -19.499 3.853 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.068 -17.825 4.208 1.00 0.00 H new ATOM 1067 N CYS A 72 5.266 -14.178 0.473 1.00 0.00 N ATOM 1068 CA CYS A 72 5.000 -12.988 -0.320 1.00 0.00 C ATOM 1069 C CYS A 72 5.227 -13.312 -1.785 1.00 0.00 C ATOM 1070 O CYS A 72 5.980 -14.225 -2.115 1.00 0.00 O ATOM 1071 CB CYS A 72 5.811 -11.763 0.138 1.00 0.00 C ATOM 1072 SG CYS A 72 7.599 -11.973 0.244 1.00 0.00 S ATOM 0 H CYS A 72 6.240 -14.479 0.437 1.00 0.00 H new ATOM 0 HA CYS A 72 3.959 -12.703 -0.171 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.604 -10.942 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.445 -11.459 1.119 1.00 0.00 H new ATOM 1077 N TYR A 73 4.495 -12.608 -2.645 1.00 0.00 N ATOM 1078 CA TYR A 73 4.374 -12.881 -4.061 1.00 0.00 C ATOM 1079 C TYR A 73 4.651 -11.601 -4.833 1.00 0.00 C ATOM 1080 O TYR A 73 4.063 -10.560 -4.529 1.00 0.00 O ATOM 1081 CB TYR A 73 2.960 -13.380 -4.380 1.00 0.00 C ATOM 1082 CG TYR A 73 2.626 -14.774 -3.883 1.00 0.00 C ATOM 1083 CD1 TYR A 73 2.407 -15.016 -2.514 1.00 0.00 C ATOM 1084 CD2 TYR A 73 2.396 -15.804 -4.813 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.979 -16.283 -2.081 1.00 0.00 C ATOM 1086 CE2 TYR A 73 1.937 -17.059 -4.386 1.00 0.00 C ATOM 1087 CZ TYR A 73 1.689 -17.284 -3.022 1.00 0.00 C ATOM 1088 OH TYR A 73 1.204 -18.487 -2.605 1.00 0.00 O ATOM 0 H TYR A 73 3.949 -11.797 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 73 5.091 -13.651 -4.348 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.242 -12.680 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.822 -13.357 -5.461 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.568 -14.227 -1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.574 -15.627 -5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.873 -16.486 -1.026 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.775 -17.850 -5.104 1.00 0.00 H new ATOM 0 HH TYR A 73 1.055 -19.067 -3.381 1.00 0.00 H new ATOM 1098 N GLN A 74 5.552 -11.677 -5.816 1.00 0.00 N ATOM 1099 CA GLN A 74 5.730 -10.600 -6.765 1.00 0.00 C ATOM 1100 C GLN A 74 4.597 -10.586 -7.780 1.00 0.00 C ATOM 1101 O GLN A 74 4.103 -11.629 -8.211 1.00 0.00 O ATOM 1102 CB GLN A 74 7.104 -10.669 -7.435 1.00 0.00 C ATOM 1103 CG GLN A 74 7.193 -9.787 -8.689 1.00 0.00 C ATOM 1104 CD GLN A 74 8.600 -9.564 -9.224 1.00 0.00 C ATOM 1105 OE1 GLN A 74 9.586 -10.027 -8.660 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.693 -8.833 -10.331 1.00 0.00 N ATOM 0 H GLN A 74 6.165 -12.478 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 74 5.694 -9.656 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.868 -10.359 -6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.321 -11.702 -7.706 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.590 -10.240 -9.476 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.749 -8.817 -8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.850 -8.465 -10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.608 -8.640 -10.740 1.00 0.00 H new ATOM 1115 N SER A 75 4.253 -9.372 -8.198 1.00 0.00 N ATOM 1116 CA SER A 75 3.401 -9.138 -9.346 1.00 0.00 C ATOM 1117 C SER A 75 4.248 -9.301 -10.610 1.00 0.00 C ATOM 1118 O SER A 75 5.253 -8.609 -10.779 1.00 0.00 O ATOM 1119 CB SER A 75 2.773 -7.742 -9.252 1.00 0.00 C ATOM 1120 OG SER A 75 3.766 -6.741 -9.245 1.00 0.00 O ATOM 0 H SER A 75 4.565 -8.516 -7.739 1.00 0.00 H new ATOM 0 HA SER A 75 2.582 -9.856 -9.377 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.099 -7.585 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.172 -7.670 -8.345 1.00 0.00 H new ATOM 0 HG SER A 75 3.949 -6.456 -10.164 1.00 0.00 H new ATOM 1126 N LYS A 76 3.859 -10.218 -11.496 1.00 0.00 N ATOM 1127 CA LYS A 76 4.441 -10.314 -12.825 1.00 0.00 C ATOM 1128 C LYS A 76 4.176 -9.015 -13.573 1.00 0.00 C ATOM 1129 O LYS A 76 5.049 -8.494 -14.266 1.00 0.00 O ATOM 1130 CB LYS A 76 3.858 -11.539 -13.544 1.00 0.00 C ATOM 1131 CG LYS A 76 4.465 -11.830 -14.926 1.00 0.00 C ATOM 1132 CD LYS A 76 5.938 -12.272 -14.872 1.00 0.00 C ATOM 1133 CE LYS A 76 6.909 -11.142 -15.240 1.00 0.00 C ATOM 1134 NZ LYS A 76 8.305 -11.613 -15.224 1.00 0.00 N ATOM 0 H LYS A 76 3.134 -10.911 -11.309 1.00 0.00 H new ATOM 0 HA LYS A 76 5.521 -10.452 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.999 -12.415 -12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.783 -11.397 -13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.879 -12.608 -15.414 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.385 -10.936 -15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 76 6.169 -12.632 -13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.087 -13.110 -15.553 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.664 -10.756 -16.230 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.793 -10.316 -14.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.939 -10.828 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.544 -11.959 -14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.419 -12.385 -15.912 1.00 0.00 H new ATOM 1148 N SER A 77 2.968 -8.482 -13.412 1.00 0.00 N ATOM 1149 CA SER A 77 2.618 -7.184 -13.913 1.00 0.00 C ATOM 1150 C SER A 77 3.219 -6.097 -13.023 1.00 0.00 C ATOM 1151 O SER A 77 3.560 -6.327 -11.864 1.00 0.00 O ATOM 1152 CB SER A 77 1.086 -7.091 -13.926 1.00 0.00 C ATOM 1153 OG SER A 77 0.565 -7.745 -12.775 1.00 0.00 O ATOM 0 H SER A 77 2.207 -8.954 -12.924 1.00 0.00 H new ATOM 0 HA SER A 77 3.011 -7.039 -14.919 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.774 -6.047 -13.937 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.690 -7.552 -14.831 1.00 0.00 H new ATOM 0 HG SER A 77 -0.413 -7.686 -12.780 1.00 0.00 H new ATOM 1159 N THR A 78 3.328 -4.898 -13.577 1.00 0.00 N ATOM 1160 CA THR A 78 3.589 -3.670 -12.851 1.00 0.00 C ATOM 1161 C THR A 78 2.226 -3.021 -12.604 1.00 0.00 C ATOM 1162 O THR A 78 1.256 -3.345 -13.293 1.00 0.00 O ATOM 1163 CB THR A 78 4.470 -2.785 -13.744 1.00 0.00 C ATOM 1164 OG1 THR A 78 3.910 -2.726 -15.042 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.879 -3.370 -13.879 1.00 0.00 C ATOM 0 H THR A 78 3.233 -4.752 -14.582 1.00 0.00 H new ATOM 0 HA THR A 78 4.101 -3.829 -11.902 1.00 0.00 H new ATOM 0 HB THR A 78 4.524 -1.797 -13.287 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.469 -2.160 -15.614 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.482 -2.723 -14.517 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.340 -3.440 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.819 -4.364 -14.323 1.00 0.00 H new ATOM 1173 N MET A 79 2.131 -2.127 -11.619 1.00 0.00 N ATOM 1174 CA MET A 79 0.874 -1.492 -11.260 1.00 0.00 C ATOM 1175 C MET A 79 1.148 -0.188 -10.523 1.00 0.00 C ATOM 1176 O MET A 79 2.225 -0.020 -9.949 1.00 0.00 O ATOM 1177 CB MET A 79 -0.021 -2.462 -10.473 1.00 0.00 C ATOM 1178 CG MET A 79 0.662 -3.270 -9.361 1.00 0.00 C ATOM 1179 SD MET A 79 -0.090 -4.895 -9.085 1.00 0.00 S ATOM 1180 CE MET A 79 -1.798 -4.430 -8.740 1.00 0.00 C ATOM 0 H MET A 79 2.924 -1.827 -11.052 1.00 0.00 H new ATOM 0 HA MET A 79 0.317 -1.237 -12.162 1.00 0.00 H new ATOM 0 HB2 MET A 79 -0.836 -1.891 -10.029 1.00 0.00 H new ATOM 0 HB3 MET A 79 -0.469 -3.162 -11.178 1.00 0.00 H new ATOM 0 HG2 MET A 79 1.714 -3.403 -9.613 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.626 -2.699 -8.433 1.00 0.00 H new ATOM 0 HE1 MET A 79 -2.355 -5.307 -8.411 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.818 -3.673 -7.956 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.255 -4.028 -9.644 1.00 0.00 H new ATOM 1190 N ARG A 80 0.195 0.747 -10.598 1.00 0.00 N ATOM 1191 CA ARG A 80 0.367 2.088 -10.055 1.00 0.00 C ATOM 1192 C ARG A 80 0.353 2.069 -8.526 1.00 0.00 C ATOM 1193 O ARG A 80 -0.701 1.963 -7.892 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.634 3.096 -10.637 1.00 0.00 C ATOM 1195 CG ARG A 80 -2.043 2.542 -10.871 1.00 0.00 C ATOM 1196 CD ARG A 80 -3.041 3.698 -10.986 1.00 0.00 C ATOM 1197 NE ARG A 80 -2.592 4.695 -11.970 1.00 0.00 N ATOM 1198 CZ ARG A 80 -2.893 6.000 -11.936 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -3.804 6.461 -11.071 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -2.271 6.838 -12.772 1.00 0.00 N ATOM 0 H ARG A 80 -0.713 0.591 -11.036 1.00 0.00 H new ATOM 0 HA ARG A 80 1.351 2.437 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.702 3.950 -9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.244 3.469 -11.584 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.061 1.941 -11.780 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.327 1.885 -10.049 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.017 3.311 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.164 4.174 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.006 4.367 -12.738 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -4.273 5.818 -10.433 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -4.029 7.456 -11.049 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -1.575 6.482 -13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.493 7.834 -12.755 1.00 0.00 H new ATOM 1214 N ILE A 81 1.542 2.197 -7.941 1.00 0.00 N ATOM 1215 CA ILE A 81 1.736 2.420 -6.530 1.00 0.00 C ATOM 1216 C ILE A 81 1.907 3.914 -6.293 1.00 0.00 C ATOM 1217 O ILE A 81 2.593 4.595 -7.054 1.00 0.00 O ATOM 1218 CB ILE A 81 2.952 1.631 -6.028 1.00 0.00 C ATOM 1219 CG1 ILE A 81 4.196 1.745 -6.924 1.00 0.00 C ATOM 1220 CG2 ILE A 81 2.557 0.169 -5.829 1.00 0.00 C ATOM 1221 CD1 ILE A 81 5.443 1.125 -6.289 1.00 0.00 C ATOM 0 H ILE A 81 2.418 2.145 -8.462 1.00 0.00 H new ATOM 0 HA ILE A 81 0.868 2.068 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 81 3.247 2.080 -5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.998 1.255 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.388 2.796 -7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.419 -0.395 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.753 0.106 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.217 -0.248 -6.777 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.289 1.235 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.663 1.631 -5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.266 0.066 -6.098 1.00 0.00 H new ATOM 1233 N THR A 82 1.283 4.413 -5.230 1.00 0.00 N ATOM 1234 CA THR A 82 1.310 5.807 -4.852 1.00 0.00 C ATOM 1235 C THR A 82 2.156 5.916 -3.589 1.00 0.00 C ATOM 1236 O THR A 82 1.649 5.794 -2.475 1.00 0.00 O ATOM 1237 CB THR A 82 -0.131 6.301 -4.711 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.814 6.042 -5.923 1.00 0.00 O ATOM 1239 CG2 THR A 82 -0.173 7.801 -4.460 1.00 0.00 C ATOM 0 H THR A 82 0.731 3.836 -4.595 1.00 0.00 H new ATOM 0 HA THR A 82 1.770 6.454 -5.599 1.00 0.00 H new ATOM 0 HB THR A 82 -0.594 5.786 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.609 6.613 -5.979 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.209 8.125 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.366 8.031 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.294 8.323 -5.295 1.00 0.00 H new ATOM 1247 N ASP A 83 3.463 6.103 -3.788 1.00 0.00 N ATOM 1248 CA ASP A 83 4.443 6.288 -2.740 1.00 0.00 C ATOM 1249 C ASP A 83 4.281 7.679 -2.156 1.00 0.00 C ATOM 1250 O ASP A 83 4.830 8.648 -2.680 1.00 0.00 O ATOM 1251 CB ASP A 83 5.852 6.014 -3.278 1.00 0.00 C ATOM 1252 CG ASP A 83 6.880 5.964 -2.154 1.00 0.00 C ATOM 1253 OD1 ASP A 83 7.283 7.054 -1.695 1.00 0.00 O ATOM 1254 OD2 ASP A 83 7.252 4.831 -1.780 1.00 0.00 O ATOM 0 H ASP A 83 3.873 6.129 -4.722 1.00 0.00 H new ATOM 0 HA ASP A 83 4.285 5.574 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 83 5.858 5.068 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.128 6.791 -3.990 1.00 0.00 H new ATOM 1259 N CYS A 84 3.489 7.775 -1.089 1.00 0.00 N ATOM 1260 CA CYS A 84 3.327 9.005 -0.351 1.00 0.00 C ATOM 1261 C CYS A 84 4.448 9.063 0.667 1.00 0.00 C ATOM 1262 O CYS A 84 4.501 8.180 1.523 1.00 0.00 O ATOM 1263 CB CYS A 84 1.958 9.039 0.326 1.00 0.00 C ATOM 1264 SG CYS A 84 0.570 8.750 -0.784 1.00 0.00 S ATOM 0 H CYS A 84 2.945 6.995 -0.720 1.00 0.00 H new ATOM 0 HA CYS A 84 3.375 9.871 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.938 8.288 1.116 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.828 10.009 0.806 1.00 0.00 H new ATOM 1269 N ARG A 85 5.339 10.059 0.572 1.00 0.00 N ATOM 1270 CA ARG A 85 6.510 10.166 1.447 1.00 0.00 C ATOM 1271 C ARG A 85 6.459 11.510 2.169 1.00 0.00 C ATOM 1272 O ARG A 85 6.224 12.513 1.505 1.00 0.00 O ATOM 1273 CB ARG A 85 7.772 10.041 0.585 1.00 0.00 C ATOM 1274 CG ARG A 85 9.053 10.135 1.422 1.00 0.00 C ATOM 1275 CD ARG A 85 10.280 9.886 0.541 1.00 0.00 C ATOM 1276 NE ARG A 85 11.516 10.056 1.313 1.00 0.00 N ATOM 1277 CZ ARG A 85 12.751 9.871 0.827 1.00 0.00 C ATOM 1278 NH1 ARG A 85 12.927 9.506 -0.448 1.00 0.00 N ATOM 1279 NH2 ARG A 85 13.807 10.052 1.626 1.00 0.00 N ATOM 0 H ARG A 85 5.267 10.811 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 85 6.520 9.374 2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.755 9.089 0.054 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.774 10.827 -0.170 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.122 11.119 1.885 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.022 9.404 2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.239 8.878 0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.274 10.576 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 85 11.429 10.335 2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.119 9.367 -1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.869 9.366 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.670 10.329 2.598 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.750 9.913 1.264 1.00 0.00 H new ATOM 1293 N GLU A 86 6.636 11.565 3.496 1.00 0.00 N ATOM 1294 CA GLU A 86 6.501 12.829 4.226 1.00 0.00 C ATOM 1295 C GLU A 86 7.558 13.868 3.814 1.00 0.00 C ATOM 1296 O GLU A 86 8.569 14.024 4.495 1.00 0.00 O ATOM 1297 CB GLU A 86 6.424 12.615 5.748 1.00 0.00 C ATOM 1298 CG GLU A 86 7.612 11.893 6.404 1.00 0.00 C ATOM 1299 CD GLU A 86 7.410 11.691 7.905 1.00 0.00 C ATOM 1300 OE1 GLU A 86 6.370 12.159 8.420 1.00 0.00 O ATOM 1301 OE2 GLU A 86 8.314 11.083 8.518 1.00 0.00 O ATOM 0 H GLU A 86 6.870 10.760 4.078 1.00 0.00 H new ATOM 0 HA GLU A 86 5.543 13.257 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.313 13.590 6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.519 12.049 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.755 10.924 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.522 12.469 6.236 1.00 0.00 H new ATOM 1308 N THR A 87 7.310 14.616 2.733 1.00 0.00 N ATOM 1309 CA THR A 87 8.309 15.485 2.121 1.00 0.00 C ATOM 1310 C THR A 87 7.725 16.842 1.716 1.00 0.00 C ATOM 1311 O THR A 87 8.472 17.782 1.450 1.00 0.00 O ATOM 1312 CB THR A 87 8.873 14.719 0.918 1.00 0.00 C ATOM 1313 OG1 THR A 87 9.479 13.527 1.372 1.00 0.00 O ATOM 1314 CG2 THR A 87 9.901 15.500 0.100 1.00 0.00 C ATOM 0 H THR A 87 6.406 14.632 2.260 1.00 0.00 H new ATOM 0 HA THR A 87 9.099 15.722 2.833 1.00 0.00 H new ATOM 0 HB THR A 87 8.026 14.527 0.259 1.00 0.00 H new ATOM 0 HG1 THR A 87 9.840 13.032 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.248 14.885 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 87 9.442 16.409 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.747 15.763 0.735 1.00 0.00 H new ATOM 1322 N GLY A 88 6.399 16.970 1.650 1.00 0.00 N ATOM 1323 CA GLY A 88 5.739 18.162 1.131 1.00 0.00 C ATOM 1324 C GLY A 88 5.721 19.288 2.163 1.00 0.00 C ATOM 1325 O GLY A 88 4.650 19.745 2.550 1.00 0.00 O ATOM 0 H GLY A 88 5.752 16.244 1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.253 18.500 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.717 17.916 0.842 1.00 0.00 H new ATOM 1329 N SER A 89 6.898 19.723 2.619 1.00 0.00 N ATOM 1330 CA SER A 89 7.062 20.645 3.740 1.00 0.00 C ATOM 1331 C SER A 89 6.500 20.032 5.027 1.00 0.00 C ATOM 1332 O SER A 89 5.881 20.716 5.839 1.00 0.00 O ATOM 1333 CB SER A 89 6.449 22.017 3.429 1.00 0.00 C ATOM 1334 OG SER A 89 6.952 22.499 2.195 1.00 0.00 O ATOM 0 H SER A 89 7.785 19.435 2.206 1.00 0.00 H new ATOM 0 HA SER A 89 8.128 20.811 3.898 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.363 21.938 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.685 22.720 4.228 1.00 0.00 H new ATOM 0 HG SER A 89 6.557 23.374 2.000 1.00 0.00 H new ATOM 1340 N SER A 90 6.740 18.734 5.206 1.00 0.00 N ATOM 1341 CA SER A 90 6.406 17.944 6.370 1.00 0.00 C ATOM 1342 C SER A 90 7.021 18.540 7.643 1.00 0.00 C ATOM 1343 O SER A 90 8.241 18.538 7.794 1.00 0.00 O ATOM 1344 CB SER A 90 6.968 16.539 6.103 1.00 0.00 C ATOM 1345 OG SER A 90 7.970 16.589 5.096 1.00 0.00 O ATOM 0 H SER A 90 7.204 18.178 4.488 1.00 0.00 H new ATOM 0 HA SER A 90 5.328 17.922 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.387 16.127 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.164 15.872 5.792 1.00 0.00 H new ATOM 0 HG SER A 90 8.771 16.118 5.408 1.00 0.00 H new ATOM 1351 N LYS A 91 6.190 19.004 8.582 1.00 0.00 N ATOM 1352 CA LYS A 91 6.649 19.525 9.864 1.00 0.00 C ATOM 1353 C LYS A 91 5.569 19.305 10.927 1.00 0.00 C ATOM 1354 O LYS A 91 4.716 20.172 11.118 1.00 0.00 O ATOM 1355 CB LYS A 91 7.022 21.009 9.697 1.00 0.00 C ATOM 1356 CG LYS A 91 7.653 21.646 10.945 1.00 0.00 C ATOM 1357 CD LYS A 91 9.014 21.024 11.287 1.00 0.00 C ATOM 1358 CE LYS A 91 9.715 21.838 12.380 1.00 0.00 C ATOM 1359 NZ LYS A 91 11.028 21.262 12.718 1.00 0.00 N ATOM 0 H LYS A 91 5.177 19.027 8.469 1.00 0.00 H new ATOM 0 HA LYS A 91 7.540 18.995 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.717 21.105 8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.126 21.569 9.431 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.775 22.717 10.782 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.978 21.527 11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.877 19.996 11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.639 20.988 10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.843 22.867 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.089 21.869 13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.478 21.835 13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.902 20.288 13.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.633 21.256 11.872 1.00 0.00 H new ATOM 1373 N TYR A 92 5.606 18.147 11.605 1.00 0.00 N ATOM 1374 CA TYR A 92 4.664 17.739 12.653 1.00 0.00 C ATOM 1375 C TYR A 92 4.171 18.927 13.495 1.00 0.00 C ATOM 1376 O TYR A 92 5.002 19.656 14.035 1.00 0.00 O ATOM 1377 CB TYR A 92 5.302 16.669 13.562 1.00 0.00 C ATOM 1378 CG TYR A 92 4.306 15.708 14.193 1.00 0.00 C ATOM 1379 CD1 TYR A 92 3.470 16.143 15.241 1.00 0.00 C ATOM 1380 CD2 TYR A 92 4.176 14.392 13.711 1.00 0.00 C ATOM 1381 CE1 TYR A 92 2.408 15.332 15.681 1.00 0.00 C ATOM 1382 CE2 TYR A 92 3.140 13.569 14.183 1.00 0.00 C ATOM 1383 CZ TYR A 92 2.215 14.061 15.116 1.00 0.00 C ATOM 1384 OH TYR A 92 1.089 13.345 15.399 1.00 0.00 O ATOM 0 H TYR A 92 6.323 17.443 11.429 1.00 0.00 H new ATOM 0 HA TYR A 92 3.793 17.316 12.152 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.022 16.096 12.978 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.859 17.168 14.355 1.00 0.00 H new ATOM 0 HD1 TYR A 92 3.645 17.101 15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 92 4.873 14.015 12.978 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.741 15.687 16.453 1.00 0.00 H new ATOM 0 HE2 TYR A 92 3.055 12.553 13.826 1.00 0.00 H new ATOM 0 HH TYR A 92 0.962 12.652 14.718 1.00 0.00 H new ATOM 1394 N PRO A 93 2.851 19.154 13.622 1.00 0.00 N ATOM 1395 CA PRO A 93 1.747 18.317 13.153 1.00 0.00 C ATOM 1396 C PRO A 93 1.455 18.466 11.655 1.00 0.00 C ATOM 1397 O PRO A 93 0.621 17.735 11.123 1.00 0.00 O ATOM 1398 CB PRO A 93 0.541 18.774 13.979 1.00 0.00 C ATOM 1399 CG PRO A 93 0.824 20.260 14.200 1.00 0.00 C ATOM 1400 CD PRO A 93 2.340 20.278 14.390 1.00 0.00 C ATOM 0 HA PRO A 93 1.990 17.262 13.280 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.397 18.616 13.447 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.468 18.232 14.922 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.514 20.864 13.347 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.300 20.648 15.073 1.00 0.00 H new ATOM 0 HD2 PRO A 93 2.767 21.217 14.039 1.00 0.00 H new ATOM 0 HD3 PRO A 93 2.603 20.183 15.444 1.00 0.00 H new ATOM 1408 N ASN A 94 2.127 19.386 10.958 1.00 0.00 N ATOM 1409 CA ASN A 94 1.890 19.682 9.550 1.00 0.00 C ATOM 1410 C ASN A 94 2.554 18.608 8.688 1.00 0.00 C ATOM 1411 O ASN A 94 3.440 18.898 7.887 1.00 0.00 O ATOM 1412 CB ASN A 94 2.417 21.083 9.181 1.00 0.00 C ATOM 1413 CG ASN A 94 2.071 22.153 10.210 1.00 0.00 C ATOM 1414 OD1 ASN A 94 1.044 22.817 10.113 1.00 0.00 O ATOM 1415 ND2 ASN A 94 2.935 22.332 11.207 1.00 0.00 N ATOM 0 H ASN A 94 2.866 19.956 11.369 1.00 0.00 H new ATOM 0 HA ASN A 94 0.816 19.678 9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 94 3.500 21.037 9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.007 21.374 8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.752 23.038 11.920 1.00 0.00 H new ATOM 0 HD22 ASN A 94 3.780 21.763 11.258 1.00 0.00 H new ATOM 1422 N CYS A 95 2.163 17.346 8.865 1.00 0.00 N ATOM 1423 CA CYS A 95 2.677 16.262 8.044 1.00 0.00 C ATOM 1424 C CYS A 95 1.980 16.331 6.696 1.00 0.00 C ATOM 1425 O CYS A 95 0.758 16.240 6.610 1.00 0.00 O ATOM 1426 CB CYS A 95 2.461 14.905 8.698 1.00 0.00 C ATOM 1427 SG CYS A 95 3.272 14.739 10.297 1.00 0.00 S ATOM 0 H CYS A 95 1.490 17.054 9.573 1.00 0.00 H new ATOM 0 HA CYS A 95 3.754 16.376 7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.391 14.737 8.823 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.830 14.126 8.030 1.00 0.00 H new ATOM 1432 N ALA A 96 2.778 16.526 5.656 1.00 0.00 N ATOM 1433 CA ALA A 96 2.344 16.769 4.298 1.00 0.00 C ATOM 1434 C ALA A 96 3.248 15.938 3.397 1.00 0.00 C ATOM 1435 O ALA A 96 4.475 16.021 3.479 1.00 0.00 O ATOM 1436 CB ALA A 96 2.431 18.265 4.009 1.00 0.00 C ATOM 0 H ALA A 96 3.794 16.518 5.746 1.00 0.00 H new ATOM 0 HA ALA A 96 1.308 16.478 4.126 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.106 18.458 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.789 18.808 4.703 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.461 18.600 4.131 1.00 0.00 H new ATOM 1442 N TYR A 97 2.633 15.077 2.594 1.00 0.00 N ATOM 1443 CA TYR A 97 3.305 14.028 1.866 1.00 0.00 C ATOM 1444 C TYR A 97 3.478 14.402 0.404 1.00 0.00 C ATOM 1445 O TYR A 97 2.607 15.024 -0.203 1.00 0.00 O ATOM 1446 CB TYR A 97 2.507 12.727 2.000 1.00 0.00 C ATOM 1447 CG TYR A 97 2.524 12.140 3.399 1.00 0.00 C ATOM 1448 CD1 TYR A 97 1.773 12.723 4.439 1.00 0.00 C ATOM 1449 CD2 TYR A 97 3.335 11.026 3.670 1.00 0.00 C ATOM 1450 CE1 TYR A 97 1.877 12.224 5.749 1.00 0.00 C ATOM 1451 CE2 TYR A 97 3.434 10.523 4.974 1.00 0.00 C ATOM 1452 CZ TYR A 97 2.713 11.127 6.017 1.00 0.00 C ATOM 1453 OH TYR A 97 2.792 10.629 7.282 1.00 0.00 O ATOM 0 H TYR A 97 1.626 15.097 2.433 1.00 0.00 H new ATOM 0 HA TYR A 97 4.300 13.887 2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 97 1.474 12.913 1.707 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.909 11.992 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.116 13.555 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.885 10.555 2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.315 12.683 6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.065 9.670 5.177 1.00 0.00 H new ATOM 0 HH TYR A 97 3.517 9.971 7.330 1.00 0.00 H new ATOM 1463 N LYS A 98 4.617 13.993 -0.152 1.00 0.00 N ATOM 1464 CA LYS A 98 4.878 14.025 -1.565 1.00 0.00 C ATOM 1465 C LYS A 98 4.364 12.712 -2.147 1.00 0.00 C ATOM 1466 O LYS A 98 4.913 11.648 -1.863 1.00 0.00 O ATOM 1467 CB LYS A 98 6.355 14.314 -1.838 1.00 0.00 C ATOM 1468 CG LYS A 98 6.651 14.697 -3.297 1.00 0.00 C ATOM 1469 CD LYS A 98 6.986 13.504 -4.205 1.00 0.00 C ATOM 1470 CE LYS A 98 8.489 13.187 -4.241 1.00 0.00 C ATOM 1471 NZ LYS A 98 9.000 12.727 -2.939 1.00 0.00 N ATOM 0 H LYS A 98 5.395 13.623 0.394 1.00 0.00 H new ATOM 0 HA LYS A 98 4.353 14.840 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.684 15.123 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.943 13.434 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.786 15.219 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.485 15.398 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.442 12.625 -3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.639 13.715 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.677 12.421 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.037 14.077 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.969 12.367 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.003 13.521 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.390 11.968 -2.575 1.00 0.00 H new ATOM 1485 N THR A 99 3.271 12.810 -2.899 1.00 0.00 N ATOM 1486 CA THR A 99 2.520 11.692 -3.457 1.00 0.00 C ATOM 1487 C THR A 99 3.110 11.254 -4.804 1.00 0.00 C ATOM 1488 O THR A 99 2.633 11.679 -5.856 1.00 0.00 O ATOM 1489 CB THR A 99 1.049 12.125 -3.570 1.00 0.00 C ATOM 1490 OG1 THR A 99 0.612 12.585 -2.310 1.00 0.00 O ATOM 1491 CG2 THR A 99 0.123 10.982 -3.989 1.00 0.00 C ATOM 0 H THR A 99 2.867 13.713 -3.147 1.00 0.00 H new ATOM 0 HA THR A 99 2.585 10.820 -2.807 1.00 0.00 H new ATOM 0 HB THR A 99 1.003 12.901 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.318 12.886 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.902 11.348 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.433 10.601 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.177 10.181 -3.252 1.00 0.00 H new ATOM 1499 N THR A 100 4.129 10.391 -4.787 1.00 0.00 N ATOM 1500 CA THR A 100 4.746 9.872 -6.003 1.00 0.00 C ATOM 1501 C THR A 100 3.945 8.686 -6.544 1.00 0.00 C ATOM 1502 O THR A 100 4.082 7.576 -6.030 1.00 0.00 O ATOM 1503 CB THR A 100 6.184 9.430 -5.701 1.00 0.00 C ATOM 1504 OG1 THR A 100 6.902 10.490 -5.112 1.00 0.00 O ATOM 1505 CG2 THR A 100 6.916 8.981 -6.971 1.00 0.00 C ATOM 0 H THR A 100 4.547 10.034 -3.928 1.00 0.00 H new ATOM 0 HA THR A 100 4.756 10.660 -6.756 1.00 0.00 H new ATOM 0 HB THR A 100 6.128 8.585 -5.015 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.818 10.198 -4.921 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.931 8.675 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.385 8.141 -7.419 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.953 9.807 -7.681 1.00 0.00 H new ATOM 1513 N GLN A 101 3.147 8.888 -7.598 1.00 0.00 N ATOM 1514 CA GLN A 101 2.565 7.763 -8.324 1.00 0.00 C ATOM 1515 C GLN A 101 3.640 7.186 -9.249 1.00 0.00 C ATOM 1516 O GLN A 101 4.290 7.948 -9.964 1.00 0.00 O ATOM 1517 CB GLN A 101 1.244 8.158 -9.021 1.00 0.00 C ATOM 1518 CG GLN A 101 1.307 8.429 -10.537 1.00 0.00 C ATOM 1519 CD GLN A 101 1.378 7.160 -11.396 1.00 0.00 C ATOM 1520 OE1 GLN A 101 1.287 6.042 -10.898 1.00 0.00 O ATOM 1521 NE2 GLN A 101 1.529 7.322 -12.708 1.00 0.00 N ATOM 0 H GLN A 101 2.894 9.807 -7.961 1.00 0.00 H new ATOM 0 HA GLN A 101 2.264 6.968 -7.641 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.519 7.362 -8.849 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.858 9.053 -8.533 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.429 9.005 -10.829 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.179 9.048 -10.749 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.603 8.260 -13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.571 6.508 -13.321 1.00 0.00 H new ATOM 1530 N VAL A 102 3.850 5.869 -9.238 1.00 0.00 N ATOM 1531 CA VAL A 102 4.778 5.204 -10.142 1.00 0.00 C ATOM 1532 C VAL A 102 4.270 3.787 -10.423 1.00 0.00 C ATOM 1533 O VAL A 102 3.608 3.185 -9.581 1.00 0.00 O ATOM 1534 CB VAL A 102 6.210 5.264 -9.573 1.00 0.00 C ATOM 1535 CG1 VAL A 102 6.359 4.508 -8.248 1.00 0.00 C ATOM 1536 CG2 VAL A 102 7.242 4.743 -10.580 1.00 0.00 C ATOM 0 H VAL A 102 3.376 5.233 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 102 4.826 5.716 -11.103 1.00 0.00 H new ATOM 0 HB VAL A 102 6.402 6.319 -9.378 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.388 4.587 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.689 4.941 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.106 3.458 -8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.239 4.801 -10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 102 7.015 3.707 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.207 5.350 -11.484 1.00 0.00 H new ATOM 1546 N GLU A 103 4.540 3.279 -11.628 1.00 0.00 N ATOM 1547 CA GLU A 103 4.010 2.023 -12.143 1.00 0.00 C ATOM 1548 C GLU A 103 5.147 1.016 -12.259 1.00 0.00 C ATOM 1549 O GLU A 103 5.909 1.075 -13.220 1.00 0.00 O ATOM 1550 CB GLU A 103 3.338 2.303 -13.495 1.00 0.00 C ATOM 1551 CG GLU A 103 2.046 3.108 -13.287 1.00 0.00 C ATOM 1552 CD GLU A 103 1.620 3.862 -14.541 1.00 0.00 C ATOM 1553 OE1 GLU A 103 1.476 3.193 -15.586 1.00 0.00 O ATOM 1554 OE2 GLU A 103 1.447 5.096 -14.427 1.00 0.00 O ATOM 0 H GLU A 103 5.155 3.750 -12.291 1.00 0.00 H new ATOM 0 HA GLU A 103 3.263 1.597 -11.473 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.020 2.856 -14.141 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.113 1.363 -13.999 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.246 2.433 -12.984 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.191 3.817 -12.472 1.00 0.00 H new ATOM 1561 N LYS A 104 5.264 0.108 -11.284 1.00 0.00 N ATOM 1562 CA LYS A 104 6.322 -0.889 -11.190 1.00 0.00 C ATOM 1563 C LYS A 104 5.749 -2.097 -10.443 1.00 0.00 C ATOM 1564 O LYS A 104 4.557 -2.106 -10.132 1.00 0.00 O ATOM 1565 CB LYS A 104 7.570 -0.317 -10.491 1.00 0.00 C ATOM 1566 CG LYS A 104 8.389 0.688 -11.319 1.00 0.00 C ATOM 1567 CD LYS A 104 8.908 0.172 -12.675 1.00 0.00 C ATOM 1568 CE LYS A 104 9.787 -1.082 -12.602 1.00 0.00 C ATOM 1569 NZ LYS A 104 11.024 -0.845 -11.840 1.00 0.00 N ATOM 0 H LYS A 104 4.598 0.050 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 104 6.651 -1.192 -12.184 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.257 0.169 -9.567 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.220 -1.146 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.774 1.570 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.243 1.011 -10.723 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.053 -0.040 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.477 0.968 -13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.225 -1.892 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.040 -1.407 -13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.821 -1.312 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.206 0.177 -11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.920 -1.233 -10.881 1.00 0.00 H new ATOM 1583 N HIS A 105 6.560 -3.131 -10.201 1.00 0.00 N ATOM 1584 CA HIS A 105 6.079 -4.372 -9.608 1.00 0.00 C ATOM 1585 C HIS A 105 5.883 -4.185 -8.108 1.00 0.00 C ATOM 1586 O HIS A 105 6.680 -3.503 -7.463 1.00 0.00 O ATOM 1587 CB HIS A 105 7.058 -5.527 -9.851 1.00 0.00 C ATOM 1588 CG HIS A 105 7.620 -5.595 -11.246 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.796 -5.001 -11.658 1.00 0.00 N ATOM 1590 CD2 HIS A 105 7.078 -6.259 -12.309 1.00 0.00 C ATOM 1591 CE1 HIS A 105 8.968 -5.302 -12.959 1.00 0.00 C ATOM 1592 NE2 HIS A 105 7.937 -6.067 -13.372 1.00 0.00 N ATOM 0 H HIS A 105 7.558 -3.128 -10.410 1.00 0.00 H new ATOM 0 HA HIS A 105 5.129 -4.622 -10.081 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.884 -5.439 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.551 -6.467 -9.632 1.00 0.00 H new ATOM 0 HD1 HIS A 105 9.421 -4.437 -11.082 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.157 -6.824 -12.316 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.797 -4.983 -13.573 1.00 0.00 H new ATOM 1601 N ILE A 106 4.858 -4.827 -7.558 1.00 0.00 N ATOM 1602 CA ILE A 106 4.642 -4.940 -6.117 1.00 0.00 C ATOM 1603 C ILE A 106 4.952 -6.346 -5.623 1.00 0.00 C ATOM 1604 O ILE A 106 4.898 -7.316 -6.378 1.00 0.00 O ATOM 1605 CB ILE A 106 3.227 -4.481 -5.732 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.136 -5.400 -6.300 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.031 -3.038 -6.204 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.743 -5.020 -5.786 1.00 0.00 C ATOM 0 H ILE A 106 4.139 -5.293 -8.111 1.00 0.00 H new ATOM 0 HA ILE A 106 5.339 -4.270 -5.614 1.00 0.00 H new ATOM 0 HB ILE A 106 3.131 -4.534 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.148 -5.348 -7.389 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.354 -6.433 -6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.030 -2.700 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.770 -2.395 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.153 -2.989 -7.286 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.001 -5.695 -6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.722 -5.098 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.513 -3.996 -6.081 1.00 0.00 H new ATOM 1620 N ILE A 107 5.295 -6.418 -4.338 1.00 0.00 N ATOM 1621 CA ILE A 107 5.595 -7.618 -3.594 1.00 0.00 C ATOM 1622 C ILE A 107 4.568 -7.666 -2.465 1.00 0.00 C ATOM 1623 O ILE A 107 4.697 -6.937 -1.476 1.00 0.00 O ATOM 1624 CB ILE A 107 7.039 -7.543 -3.060 1.00 0.00 C ATOM 1625 CG1 ILE A 107 8.106 -7.009 -4.030 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.461 -8.909 -2.497 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.317 -7.851 -5.279 1.00 0.00 C ATOM 0 H ILE A 107 5.373 -5.580 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 107 5.535 -8.521 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 107 6.998 -6.786 -2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 107 7.828 -6.000 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 107 9.054 -6.932 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.482 -8.848 -2.122 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.792 -9.190 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.409 -9.660 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.088 -7.394 -5.900 1.00 0.00 H new ATOM 0 HD12 ILE A 107 8.630 -8.855 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.385 -7.908 -5.841 1.00 0.00 H new ATOM 1639 N VAL A 108 3.517 -8.473 -2.628 1.00 0.00 N ATOM 1640 CA VAL A 108 2.436 -8.531 -1.656 1.00 0.00 C ATOM 1641 C VAL A 108 2.674 -9.703 -0.717 1.00 0.00 C ATOM 1642 O VAL A 108 3.021 -10.786 -1.174 1.00 0.00 O ATOM 1643 CB VAL A 108 1.057 -8.604 -2.330 1.00 0.00 C ATOM 1644 CG1 VAL A 108 0.914 -7.489 -3.369 1.00 0.00 C ATOM 1645 CG2 VAL A 108 0.750 -9.959 -2.976 1.00 0.00 C ATOM 0 H VAL A 108 3.397 -9.095 -3.428 1.00 0.00 H new ATOM 0 HA VAL A 108 2.433 -7.608 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 108 0.328 -8.473 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.068 -7.553 -3.839 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.020 -6.520 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.688 -7.599 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.241 -9.930 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.494 -10.173 -3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.778 -10.739 -2.215 1.00 0.00 H new ATOM 1655 N ALA A 109 2.490 -9.505 0.585 1.00 0.00 N ATOM 1656 CA ALA A 109 2.527 -10.575 1.563 1.00 0.00 C ATOM 1657 C ALA A 109 1.135 -11.194 1.651 1.00 0.00 C ATOM 1658 O ALA A 109 0.179 -10.533 2.078 1.00 0.00 O ATOM 1659 CB ALA A 109 3.002 -10.033 2.906 1.00 0.00 C ATOM 0 H ALA A 109 2.310 -8.586 0.990 1.00 0.00 H new ATOM 0 HA ALA A 109 3.233 -11.350 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 109 3.028 -10.842 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.001 -9.612 2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.317 -9.257 3.248 1.00 0.00 H new ATOM 1665 N CYS A 110 1.035 -12.455 1.224 1.00 0.00 N ATOM 1666 CA CYS A 110 -0.197 -13.222 1.270 1.00 0.00 C ATOM 1667 C CYS A 110 -0.258 -13.981 2.588 1.00 0.00 C ATOM 1668 O CYS A 110 0.771 -14.366 3.143 1.00 0.00 O ATOM 1669 CB CYS A 110 -0.277 -14.196 0.081 1.00 0.00 C ATOM 1670 SG CYS A 110 -1.859 -14.261 -0.794 1.00 0.00 S ATOM 0 H CYS A 110 1.822 -12.973 0.833 1.00 0.00 H new ATOM 0 HA CYS A 110 -1.047 -12.544 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.500 -13.927 -0.635 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.044 -15.198 0.442 1.00 0.00 H new ATOM 1675 N GLY A 111 -1.464 -14.206 3.094 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.676 -14.988 4.297 1.00 0.00 C ATOM 1677 C GLY A 111 -3.156 -15.300 4.462 1.00 0.00 C ATOM 1678 O GLY A 111 -3.960 -14.985 3.587 1.00 0.00 O ATOM 0 H GLY A 111 -2.323 -13.848 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.105 -15.915 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.313 -14.439 5.166 1.00 0.00 H new ATOM 1682 N GLY A 112 -3.508 -15.914 5.593 1.00 0.00 N ATOM 1683 CA GLY A 112 -4.866 -16.355 5.856 1.00 0.00 C ATOM 1684 C GLY A 112 -5.195 -17.630 5.081 1.00 0.00 C ATOM 1685 O GLY A 112 -4.381 -18.140 4.310 1.00 0.00 O ATOM 0 H GLY A 112 -2.854 -16.117 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.993 -16.533 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.567 -15.567 5.579 1.00 0.00 H new ATOM 1689 N LYS A 113 -6.396 -18.153 5.325 1.00 0.00 N ATOM 1690 CA LYS A 113 -6.996 -19.252 4.588 1.00 0.00 C ATOM 1691 C LYS A 113 -8.404 -18.784 4.200 1.00 0.00 C ATOM 1692 O LYS A 113 -9.210 -18.566 5.104 1.00 0.00 O ATOM 1693 CB LYS A 113 -7.058 -20.501 5.480 1.00 0.00 C ATOM 1694 CG LYS A 113 -5.680 -21.094 5.813 1.00 0.00 C ATOM 1695 CD LYS A 113 -5.006 -21.721 4.584 1.00 0.00 C ATOM 1696 CE LYS A 113 -3.742 -22.484 4.992 1.00 0.00 C ATOM 1697 NZ LYS A 113 -3.115 -23.140 3.831 1.00 0.00 N ATOM 0 H LYS A 113 -6.997 -17.805 6.072 1.00 0.00 H new ATOM 0 HA LYS A 113 -6.418 -19.515 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -7.568 -20.248 6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -7.660 -21.262 4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -5.038 -20.312 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.790 -21.850 6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -5.701 -22.398 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.751 -20.942 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.032 -21.796 5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -3.993 -23.232 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.262 -23.649 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.786 -23.813 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.854 -22.422 3.125 1.00 0.00 H new ATOM 1711 N PRO A 114 -8.726 -18.594 2.909 1.00 0.00 N ATOM 1712 CA PRO A 114 -7.851 -18.741 1.752 1.00 0.00 C ATOM 1713 C PRO A 114 -6.738 -17.685 1.755 1.00 0.00 C ATOM 1714 O PRO A 114 -6.770 -16.739 2.539 1.00 0.00 O ATOM 1715 CB PRO A 114 -8.769 -18.580 0.536 1.00 0.00 C ATOM 1716 CG PRO A 114 -9.873 -17.657 1.051 1.00 0.00 C ATOM 1717 CD PRO A 114 -10.034 -18.110 2.501 1.00 0.00 C ATOM 0 HA PRO A 114 -7.341 -19.704 1.750 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.241 -18.143 -0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.168 -19.538 0.203 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -9.588 -16.607 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -10.797 -17.774 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -10.362 -17.286 3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -10.786 -18.895 2.585 1.00 0.00 H new ATOM 1725 N SER A 115 -5.750 -17.862 0.877 1.00 0.00 N ATOM 1726 CA SER A 115 -4.611 -16.980 0.712 1.00 0.00 C ATOM 1727 C SER A 115 -5.067 -15.623 0.162 1.00 0.00 C ATOM 1728 O SER A 115 -5.371 -15.501 -1.024 1.00 0.00 O ATOM 1729 CB SER A 115 -3.605 -17.682 -0.217 1.00 0.00 C ATOM 1730 OG SER A 115 -4.237 -18.728 -0.946 1.00 0.00 O ATOM 0 H SER A 115 -5.727 -18.658 0.239 1.00 0.00 H new ATOM 0 HA SER A 115 -4.128 -16.778 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 115 -3.176 -16.958 -0.909 1.00 0.00 H new ATOM 0 HB3 SER A 115 -2.782 -18.088 0.371 1.00 0.00 H new ATOM 0 HG SER A 115 -3.581 -19.161 -1.532 1.00 0.00 H new ATOM 1736 N VAL A 116 -5.108 -14.605 1.023 1.00 0.00 N ATOM 1737 CA VAL A 116 -5.514 -13.243 0.699 1.00 0.00 C ATOM 1738 C VAL A 116 -4.339 -12.292 0.961 1.00 0.00 C ATOM 1739 O VAL A 116 -3.436 -12.642 1.721 1.00 0.00 O ATOM 1740 CB VAL A 116 -6.765 -12.871 1.522 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -7.992 -13.634 1.008 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -6.603 -13.144 3.024 1.00 0.00 C ATOM 0 H VAL A 116 -4.848 -14.715 2.003 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.780 -13.160 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.901 -11.797 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.865 -13.360 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.167 -13.379 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -7.817 -14.706 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -7.517 -12.861 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -6.408 -14.205 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -5.768 -12.560 3.412 1.00 0.00 H new ATOM 1752 N PRO A 117 -4.310 -11.104 0.332 1.00 0.00 N ATOM 1753 CA PRO A 117 -3.270 -10.110 0.554 1.00 0.00 C ATOM 1754 C PRO A 117 -3.485 -9.464 1.918 1.00 0.00 C ATOM 1755 O PRO A 117 -4.550 -8.900 2.160 1.00 0.00 O ATOM 1756 CB PRO A 117 -3.422 -9.103 -0.591 1.00 0.00 C ATOM 1757 CG PRO A 117 -4.909 -9.183 -0.939 1.00 0.00 C ATOM 1758 CD PRO A 117 -5.221 -10.660 -0.711 1.00 0.00 C ATOM 0 HA PRO A 117 -2.264 -10.529 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -3.135 -8.098 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -2.795 -9.366 -1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -5.511 -8.537 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.102 -8.881 -1.969 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.259 -10.798 -0.408 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -5.077 -11.235 -1.626 1.00 0.00 H new ATOM 1766 N VAL A 118 -2.492 -9.559 2.808 1.00 0.00 N ATOM 1767 CA VAL A 118 -2.577 -9.076 4.181 1.00 0.00 C ATOM 1768 C VAL A 118 -1.529 -8.017 4.519 1.00 0.00 C ATOM 1769 O VAL A 118 -1.757 -7.218 5.425 1.00 0.00 O ATOM 1770 CB VAL A 118 -2.760 -10.224 5.208 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -2.757 -11.615 4.574 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -1.659 -10.263 6.274 1.00 0.00 C ATOM 0 H VAL A 118 -1.591 -9.983 2.585 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.507 -8.514 4.268 1.00 0.00 H new ATOM 0 HB VAL A 118 -3.731 -9.998 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -2.889 -12.369 5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.572 -11.688 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.807 -11.781 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -1.846 -11.089 6.961 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -0.691 -10.404 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.655 -9.324 6.828 1.00 0.00 H new ATOM 1782 N HIS A 119 -0.405 -7.976 3.796 1.00 0.00 N ATOM 1783 CA HIS A 119 0.572 -6.906 3.958 1.00 0.00 C ATOM 1784 C HIS A 119 1.227 -6.560 2.628 1.00 0.00 C ATOM 1785 O HIS A 119 1.169 -7.331 1.673 1.00 0.00 O ATOM 1786 CB HIS A 119 1.591 -7.251 5.056 1.00 0.00 C ATOM 1787 CG HIS A 119 1.096 -6.976 6.452 1.00 0.00 C ATOM 1788 ND1 HIS A 119 0.684 -7.927 7.366 1.00 0.00 N ATOM 1789 CD2 HIS A 119 0.938 -5.742 7.019 1.00 0.00 C ATOM 1790 CE1 HIS A 119 0.277 -7.279 8.472 1.00 0.00 C ATOM 1791 NE2 HIS A 119 0.425 -5.954 8.284 1.00 0.00 N ATOM 0 H HIS A 119 -0.154 -8.673 3.095 1.00 0.00 H new ATOM 0 HA HIS A 119 0.052 -6.008 4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 119 1.855 -8.305 4.975 1.00 0.00 H new ATOM 0 HB3 HIS A 119 2.503 -6.680 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.169 -4.789 6.567 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.107 -7.746 9.367 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.196 -5.228 8.963 1.00 0.00 H new ATOM 1800 N PHE A 120 1.851 -5.382 2.579 1.00 0.00 N ATOM 1801 CA PHE A 120 2.696 -4.944 1.486 1.00 0.00 C ATOM 1802 C PHE A 120 4.123 -5.239 1.917 1.00 0.00 C ATOM 1803 O PHE A 120 4.624 -4.595 2.836 1.00 0.00 O ATOM 1804 CB PHE A 120 2.499 -3.445 1.252 1.00 0.00 C ATOM 1805 CG PHE A 120 3.397 -2.859 0.182 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.053 -2.982 -1.178 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.550 -2.141 0.550 1.00 0.00 C ATOM 1808 CE1 PHE A 120 3.806 -2.308 -2.155 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.318 -1.492 -0.430 1.00 0.00 C ATOM 1810 CZ PHE A 120 4.932 -1.556 -1.778 1.00 0.00 C ATOM 0 H PHE A 120 1.775 -4.691 3.326 1.00 0.00 H new ATOM 0 HA PHE A 120 2.456 -5.454 0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.460 -3.265 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.676 -2.916 2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.212 -3.593 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.845 -2.089 1.588 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.520 -2.368 -3.195 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.205 -0.944 -0.147 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.502 -1.026 -2.527 1.00 0.00 H new ATOM 1820 N ASP A 121 4.753 -6.234 1.297 1.00 0.00 N ATOM 1821 CA ASP A 121 6.140 -6.556 1.597 1.00 0.00 C ATOM 1822 C ASP A 121 7.046 -5.447 1.064 1.00 0.00 C ATOM 1823 O ASP A 121 7.846 -4.893 1.813 1.00 0.00 O ATOM 1824 CB ASP A 121 6.508 -7.919 1.006 1.00 0.00 C ATOM 1825 CG ASP A 121 7.912 -8.356 1.411 1.00 0.00 C ATOM 1826 OD1 ASP A 121 8.852 -8.005 0.666 1.00 0.00 O ATOM 1827 OD2 ASP A 121 8.017 -9.041 2.451 1.00 0.00 O ATOM 0 H ASP A 121 4.324 -6.828 0.587 1.00 0.00 H new ATOM 0 HA ASP A 121 6.277 -6.621 2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.786 -8.665 1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 121 6.442 -7.873 -0.081 1.00 0.00 H new ATOM 1832 N ALA A 122 6.926 -5.135 -0.232 1.00 0.00 N ATOM 1833 CA ALA A 122 7.800 -4.186 -0.919 1.00 0.00 C ATOM 1834 C ALA A 122 7.292 -3.921 -2.343 1.00 0.00 C ATOM 1835 O ALA A 122 6.207 -4.367 -2.717 1.00 0.00 O ATOM 1836 CB ALA A 122 9.238 -4.736 -0.946 1.00 0.00 C ATOM 0 H ALA A 122 6.211 -5.540 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 122 7.794 -3.239 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.889 -4.028 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.591 -4.881 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.253 -5.690 -1.474 1.00 0.00 H new ATOM 1842 N SER A 123 8.100 -3.235 -3.156 1.00 0.00 N ATOM 1843 CA SER A 123 7.914 -3.062 -4.587 1.00 0.00 C ATOM 1844 C SER A 123 9.288 -3.020 -5.252 1.00 0.00 C ATOM 1845 O SER A 123 10.298 -2.874 -4.564 1.00 0.00 O ATOM 1846 CB SER A 123 7.098 -1.796 -4.877 1.00 0.00 C ATOM 1847 OG SER A 123 7.549 -0.708 -4.090 1.00 0.00 O ATOM 0 H SER A 123 8.938 -2.766 -2.812 1.00 0.00 H new ATOM 0 HA SER A 123 7.349 -3.899 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.178 -1.542 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.044 -1.984 -4.673 1.00 0.00 H new ATOM 0 HG SER A 123 7.014 0.087 -4.294 1.00 0.00 H new ATOM 1853 N VAL A 124 9.323 -3.166 -6.580 1.00 0.00 N ATOM 1854 CA VAL A 124 10.540 -3.097 -7.376 1.00 0.00 C ATOM 1855 C VAL A 124 10.209 -2.591 -8.784 1.00 0.00 C ATOM 1856 O VAL A 124 9.434 -3.274 -9.494 1.00 0.00 O ATOM 1857 CB VAL A 124 11.293 -4.444 -7.350 1.00 0.00 C ATOM 1858 CG1 VAL A 124 10.486 -5.626 -7.904 1.00 0.00 C ATOM 1859 CG2 VAL A 124 12.629 -4.341 -8.096 1.00 0.00 C ATOM 1860 OXT VAL A 124 10.725 -1.506 -9.127 1.00 0.00 O ATOM 0 H VAL A 124 8.486 -3.339 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 124 11.231 -2.375 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 124 11.467 -4.651 -6.294 1.00 0.00 H new ATOM 0 HG11 VAL A 124 11.087 -6.534 -7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.579 -5.755 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 124 10.219 -5.429 -8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 124 13.139 -5.303 -8.063 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.446 -4.063 -9.134 1.00 0.00 H new ATOM 0 HG23 VAL A 124 13.253 -3.583 -7.622 1.00 0.00 H new TER 1870 VAL A 124