USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 219 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 112 THR OG1 : rot -59:sc= 1.3 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 1.19 USER MOD Set 2.1: A 87 THR OG1 : rot -96:sc= 1.08 USER MOD Set 2.2: A 94 ASN : amide:sc= -0.915 K(o=0.16,f=-2.5!) USER MOD Set 3.1: A 56 SER OG : rot 22:sc= -1.42 USER MOD Set 3.2: A 60 MET CE :methyl -176:sc= -1.4 (180deg=-1.29) USER MOD Set 3.3: A 85 MET CE :methyl -165:sc= -0.683 (180deg=-1.57) USER MOD Set 4.1: A 59 ASN : amide:sc= 0.132 K(o=0.013,f=-5!) USER MOD Set 4.2: A 109 LYS NZ :NH3+ -167:sc= -0.118 (180deg=-0.624) USER MOD Set 5.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 16 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 1 ARG N :NH3+ 152:sc= 0.389 (180deg=0.0461) USER MOD Single : A 2 SER OG : rot 91:sc= 0.682 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= -1.52! (180deg=-2.63!) USER MOD Single : A 17 MET CE :methyl -140:sc= -2.4 (180deg=-3.08) USER MOD Single : A 23 ASN : amide:sc= -6.22! C(o=-6.2!,f=-2.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0427 X(o=-0.043,f=-0.043) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc=-0.00232 K(o=-0.0023,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 1.11 (180deg=0.823) USER MOD Single : A 47 GLN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 51 TYR OH : rot 30:sc= 0.036 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 63 MET CE :methyl -174:sc= 0 (180deg=-0.0335) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -3:sc= 0.353 USER MOD Single : A 78 MET CE :methyl -110:sc= -0.0531 (180deg=-1.84!) USER MOD Single : A 79 SER OG : rot -81:sc= 1.22 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.2!) USER MOD Single : A 104 SER OG : rot -17:sc= 0.302 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 122 LYS NZ :NH3+ -144:sc= -1.03 (180deg=-1.97!) USER MOD Single : A 126 LYS NZ :NH3+ -179:sc= -0.997 (180deg=-1.04) USER MOD Single : A 129 MET CE :methyl 175:sc= 0 (180deg=-0.0423) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -9.994 -6.287 -11.603 1.00 0.00 N ATOM 2 CA ARG A 1 -8.944 -5.939 -10.624 1.00 0.00 C ATOM 3 C ARG A 1 -9.067 -4.522 -10.006 1.00 0.00 C ATOM 4 O ARG A 1 -9.712 -4.351 -8.978 1.00 0.00 O ATOM 5 CB ARG A 1 -7.579 -6.213 -11.296 1.00 0.00 C ATOM 6 CG ARG A 1 -6.361 -5.919 -10.414 1.00 0.00 C ATOM 7 CD ARG A 1 -5.087 -6.119 -11.229 1.00 0.00 C ATOM 8 NE ARG A 1 -3.938 -5.458 -10.582 1.00 0.00 N ATOM 9 CZ ARG A 1 -2.702 -5.424 -11.064 1.00 0.00 C ATOM 10 NH1 ARG A 1 -2.341 -6.102 -12.145 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.759 -4.754 -10.423 1.00 0.00 N ATOM 0 H1 ARG A 1 -9.618 -6.976 -12.285 1.00 0.00 H new ATOM 0 H2 ARG A 1 -10.808 -6.701 -11.106 1.00 0.00 H new ATOM 0 H3 ARG A 1 -10.296 -5.429 -12.108 1.00 0.00 H new ATOM 0 HA ARG A 1 -9.061 -6.570 -9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -7.544 -7.258 -11.604 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -7.508 -5.611 -12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -6.409 -4.897 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -6.358 -6.579 -9.546 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -4.884 -7.184 -11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -5.226 -5.716 -12.232 1.00 0.00 H new ATOM 0 HE ARG A 1 -4.107 -4.989 -9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -3.024 -6.677 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.380 -6.049 -12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.981 -4.263 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -0.809 -4.729 -10.794 1.00 0.00 H new ATOM 20 N SER A 2 -8.644 -3.511 -10.762 1.00 0.00 N ATOM 21 CA SER A 2 -8.630 -2.080 -10.375 1.00 0.00 C ATOM 22 C SER A 2 -9.994 -1.372 -10.304 1.00 0.00 C ATOM 23 O SER A 2 -10.057 -0.188 -9.963 1.00 0.00 O ATOM 24 CB SER A 2 -7.711 -1.354 -11.367 1.00 0.00 C ATOM 25 OG SER A 2 -8.089 -1.710 -12.709 1.00 0.00 O ATOM 0 H SER A 2 -8.284 -3.661 -11.704 1.00 0.00 H new ATOM 0 HA SER A 2 -8.275 -2.042 -9.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.787 -0.275 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.671 -1.627 -11.185 1.00 0.00 H new ATOM 0 HG SER A 2 -8.753 -1.071 -13.042 1.00 0.00 H new ATOM 28 N ASP A 3 -11.070 -2.157 -10.305 1.00 0.00 N ATOM 29 CA ASP A 3 -12.461 -1.640 -10.312 1.00 0.00 C ATOM 30 C ASP A 3 -13.324 -2.068 -9.113 1.00 0.00 C ATOM 31 O ASP A 3 -14.140 -2.984 -9.206 1.00 0.00 O ATOM 32 CB ASP A 3 -13.123 -1.980 -11.666 1.00 0.00 C ATOM 33 CG ASP A 3 -13.137 -3.479 -12.005 1.00 0.00 C ATOM 34 OD1 ASP A 3 -12.069 -3.977 -12.419 1.00 0.00 O ATOM 35 OD2 ASP A 3 -14.210 -4.096 -11.834 1.00 0.00 O ATOM 0 H ASP A 3 -11.014 -3.175 -10.301 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.394 -0.558 -10.194 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.149 -1.612 -11.658 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.599 -1.445 -12.458 1.00 0.00 H new ATOM 37 N LYS A 4 -13.002 -1.472 -7.963 1.00 0.00 N ATOM 38 CA LYS A 4 -13.675 -1.633 -6.642 1.00 0.00 C ATOM 39 C LYS A 4 -13.511 -2.985 -5.938 1.00 0.00 C ATOM 40 O LYS A 4 -13.130 -3.060 -4.768 1.00 0.00 O ATOM 41 CB LYS A 4 -15.132 -1.178 -6.669 1.00 0.00 C ATOM 42 CG LYS A 4 -15.165 0.338 -6.860 1.00 0.00 C ATOM 43 CD LYS A 4 -16.583 0.887 -6.876 1.00 0.00 C ATOM 44 CE LYS A 4 -16.518 2.401 -7.107 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.877 2.959 -7.049 1.00 0.00 N ATOM 0 H LYS A 4 -12.218 -0.821 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.108 -0.952 -6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.668 -1.673 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.632 -1.453 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.602 0.815 -6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.668 0.595 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.165 0.409 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.084 0.669 -5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.887 2.869 -6.351 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.066 2.614 -8.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.837 3.986 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.465 2.519 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.292 2.767 -6.115 1.00 0.00 H new ATOM 50 N GLU A 5 -13.523 -4.020 -6.759 1.00 0.00 N ATOM 51 CA GLU A 5 -13.330 -5.431 -6.360 1.00 0.00 C ATOM 52 C GLU A 5 -11.827 -5.788 -6.306 1.00 0.00 C ATOM 53 O GLU A 5 -11.431 -6.942 -6.438 1.00 0.00 O ATOM 54 CB GLU A 5 -14.151 -6.397 -7.233 1.00 0.00 C ATOM 55 CG GLU A 5 -14.200 -6.145 -8.748 1.00 0.00 C ATOM 56 CD GLU A 5 -12.835 -6.142 -9.455 1.00 0.00 C ATOM 57 OE1 GLU A 5 -12.417 -7.224 -9.921 1.00 0.00 O ATOM 58 OE2 GLU A 5 -12.272 -5.027 -9.590 1.00 0.00 O ATOM 0 H GLU A 5 -13.672 -3.913 -7.762 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.719 -5.551 -5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.760 -7.402 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.176 -6.392 -6.862 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.827 -6.909 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.685 -5.185 -8.925 1.00 0.00 H new ATOM 60 N LEU A 6 -11.087 -4.807 -5.809 1.00 0.00 N ATOM 61 CA LEU A 6 -9.624 -4.827 -5.684 1.00 0.00 C ATOM 62 C LEU A 6 -9.191 -5.269 -4.276 1.00 0.00 C ATOM 63 O LEU A 6 -9.810 -4.891 -3.277 1.00 0.00 O ATOM 64 CB LEU A 6 -9.113 -3.414 -6.010 1.00 0.00 C ATOM 65 CG LEU A 6 -7.580 -3.273 -6.054 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.878 -4.261 -6.977 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.214 -1.879 -6.552 1.00 0.00 C ATOM 0 H LEU A 6 -11.499 -3.939 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.195 -5.551 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.519 -3.110 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.506 -2.721 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.248 -3.469 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.802 -4.088 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.092 -5.279 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.237 -4.124 -7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.129 -1.777 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.622 -1.731 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.629 -1.131 -5.877 1.00 0.00 H new ATOM 69 N LYS A 7 -8.309 -6.263 -4.295 1.00 0.00 N ATOM 70 CA LYS A 7 -7.699 -6.859 -3.096 1.00 0.00 C ATOM 71 C LYS A 7 -6.531 -6.022 -2.567 1.00 0.00 C ATOM 72 O LYS A 7 -5.462 -5.936 -3.191 1.00 0.00 O ATOM 73 CB LYS A 7 -7.253 -8.298 -3.361 1.00 0.00 C ATOM 74 CG LYS A 7 -8.437 -9.252 -3.531 1.00 0.00 C ATOM 75 CD LYS A 7 -8.014 -10.721 -3.562 1.00 0.00 C ATOM 76 CE LYS A 7 -7.490 -11.207 -2.212 1.00 0.00 C ATOM 77 NZ LYS A 7 -7.108 -12.622 -2.332 1.00 0.00 N ATOM 0 H LYS A 7 -7.986 -6.692 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.468 -6.872 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.636 -8.325 -4.259 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.629 -8.640 -2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.142 -9.099 -2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.963 -9.010 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.864 -11.334 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.241 -10.857 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.632 -10.610 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.255 -11.087 -1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.257 -12.801 -1.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.886 -13.222 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.910 -12.845 -3.328 1.00 0.00 H new ATOM 82 N PHE A 8 -6.817 -5.352 -1.458 1.00 0.00 N ATOM 83 CA PHE A 8 -5.894 -4.458 -0.736 1.00 0.00 C ATOM 84 C PHE A 8 -5.275 -5.093 0.511 1.00 0.00 C ATOM 85 O PHE A 8 -5.944 -5.777 1.291 1.00 0.00 O ATOM 86 CB PHE A 8 -6.624 -3.238 -0.160 1.00 0.00 C ATOM 87 CG PHE A 8 -7.040 -2.212 -1.200 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.251 -2.402 -1.906 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.139 -1.178 -1.545 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.522 -1.567 -3.003 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.422 -0.346 -2.648 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.597 -0.580 -3.395 1.00 0.00 C ATOM 0 H PHE A 8 -7.732 -5.413 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.144 -4.215 -1.489 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.512 -3.578 0.373 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.978 -2.755 0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.950 -3.170 -1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.239 -1.026 -0.967 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.446 -1.683 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.751 0.457 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.789 0.007 -4.281 1.00 0.00 H new ATOM 94 N LEU A 9 -3.981 -4.848 0.643 1.00 0.00 N ATOM 95 CA LEU A 9 -3.304 -5.262 1.873 1.00 0.00 C ATOM 96 C LEU A 9 -2.802 -4.031 2.631 1.00 0.00 C ATOM 97 O LEU A 9 -1.858 -3.352 2.232 1.00 0.00 O ATOM 98 CB LEU A 9 -2.156 -6.223 1.630 1.00 0.00 C ATOM 99 CG LEU A 9 -2.224 -7.386 2.644 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.894 -8.096 2.579 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.442 -7.002 4.109 1.00 0.00 C ATOM 0 H LEU A 9 -3.394 -4.385 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.041 -5.799 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.204 -6.612 0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.205 -5.700 1.726 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.093 -7.978 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.892 -8.930 3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.731 -8.472 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.097 -7.400 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.471 -7.904 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.625 -6.363 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.386 -6.465 4.208 1.00 0.00 H new ATOM 103 N VAL A 10 -3.573 -3.737 3.672 1.00 0.00 N ATOM 104 CA VAL A 10 -3.312 -2.623 4.605 1.00 0.00 C ATOM 105 C VAL A 10 -2.263 -3.116 5.619 1.00 0.00 C ATOM 106 O VAL A 10 -2.555 -3.832 6.575 1.00 0.00 O ATOM 107 CB VAL A 10 -4.657 -2.169 5.205 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.531 -1.304 6.451 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.435 -1.402 4.136 1.00 0.00 C ATOM 0 H VAL A 10 -4.412 -4.268 3.904 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.893 -1.735 4.132 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.178 -3.073 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.525 -1.030 6.806 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.008 -1.861 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.970 -0.401 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.390 -1.074 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.858 -0.533 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.612 -2.051 3.279 1.00 0.00 H new ATOM 111 N VAL A 11 -1.026 -2.842 5.248 1.00 0.00 N ATOM 112 CA VAL A 11 0.164 -3.247 6.008 1.00 0.00 C ATOM 113 C VAL A 11 0.636 -2.042 6.824 1.00 0.00 C ATOM 114 O VAL A 11 1.384 -1.177 6.356 1.00 0.00 O ATOM 115 CB VAL A 11 1.301 -3.771 5.121 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.286 -4.554 5.992 1.00 0.00 C ATOM 117 CG2 VAL A 11 0.821 -4.690 3.991 1.00 0.00 C ATOM 0 H VAL A 11 -0.806 -2.324 4.398 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.112 -4.079 6.656 1.00 0.00 H new ATOM 0 HB VAL A 11 1.765 -2.901 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.099 -4.932 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.691 -3.898 6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.770 -5.391 6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.677 -5.023 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.314 -5.556 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.130 -4.145 3.348 1.00 0.00 H new ATOM 119 N ASP A 12 0.181 -2.012 8.070 1.00 0.00 N ATOM 120 CA ASP A 12 0.501 -0.915 9.002 1.00 0.00 C ATOM 121 C ASP A 12 0.881 -1.426 10.386 1.00 0.00 C ATOM 122 O ASP A 12 0.200 -2.277 10.943 1.00 0.00 O ATOM 123 CB ASP A 12 -0.668 0.077 9.057 1.00 0.00 C ATOM 124 CG ASP A 12 -0.934 0.695 7.675 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.205 1.663 7.336 1.00 0.00 O ATOM 126 OD2 ASP A 12 -1.808 0.159 6.962 1.00 0.00 O ATOM 0 H ASP A 12 -0.416 -2.736 8.470 1.00 0.00 H new ATOM 0 HA ASP A 12 1.381 -0.393 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.565 -0.432 9.410 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.446 0.866 9.775 1.00 0.00 H new ATOM 128 N ASP A 13 1.879 -0.774 10.968 1.00 0.00 N ATOM 129 CA ASP A 13 2.434 -1.177 12.283 1.00 0.00 C ATOM 130 C ASP A 13 1.518 -1.018 13.505 1.00 0.00 C ATOM 131 O ASP A 13 1.670 -1.740 14.484 1.00 0.00 O ATOM 132 CB ASP A 13 3.798 -0.503 12.499 1.00 0.00 C ATOM 133 CG ASP A 13 3.805 1.013 12.763 1.00 0.00 C ATOM 134 OD1 ASP A 13 2.778 1.662 12.481 1.00 0.00 O ATOM 135 OD2 ASP A 13 4.853 1.499 13.245 1.00 0.00 O ATOM 0 H ASP A 13 2.333 0.043 10.559 1.00 0.00 H new ATOM 0 HA ASP A 13 2.545 -2.259 12.217 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.287 -0.994 13.341 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.411 -0.694 11.619 1.00 0.00 H new ATOM 137 N PHE A 14 0.584 -0.063 13.448 1.00 0.00 N ATOM 138 CA PHE A 14 -0.350 0.199 14.561 1.00 0.00 C ATOM 139 C PHE A 14 -1.761 -0.276 14.222 1.00 0.00 C ATOM 140 O PHE A 14 -2.351 0.186 13.243 1.00 0.00 O ATOM 141 CB PHE A 14 -0.353 1.708 14.832 1.00 0.00 C ATOM 142 CG PHE A 14 -0.902 2.102 16.218 1.00 0.00 C ATOM 143 CD1 PHE A 14 -0.486 1.414 17.382 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.687 3.276 16.306 1.00 0.00 C ATOM 145 CE1 PHE A 14 -0.853 1.906 18.658 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.043 3.774 17.575 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.628 3.086 18.739 1.00 0.00 C ATOM 0 H PHE A 14 0.450 0.547 12.641 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.025 -0.349 15.445 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.665 2.085 14.737 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.948 2.202 14.064 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.109 0.517 17.298 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.010 3.785 15.410 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.546 1.388 19.555 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.630 4.677 17.659 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.909 3.469 19.709 1.00 0.00 H new ATOM 149 N SER A 15 -2.342 -0.998 15.169 1.00 0.00 N ATOM 150 CA SER A 15 -3.707 -1.568 15.079 1.00 0.00 C ATOM 151 C SER A 15 -4.778 -0.526 14.683 1.00 0.00 C ATOM 152 O SER A 15 -5.436 -0.684 13.648 1.00 0.00 O ATOM 153 CB SER A 15 -4.086 -2.219 16.412 1.00 0.00 C ATOM 154 OG SER A 15 -3.839 -1.299 17.479 1.00 0.00 O ATOM 0 H SER A 15 -1.877 -1.218 16.050 1.00 0.00 H new ATOM 0 HA SER A 15 -3.684 -2.314 14.284 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.137 -2.507 16.402 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.507 -3.130 16.562 1.00 0.00 H new ATOM 0 HG SER A 15 -4.083 -1.715 18.332 1.00 0.00 H new ATOM 157 N THR A 16 -4.796 0.578 15.418 1.00 0.00 N ATOM 158 CA THR A 16 -5.723 1.706 15.169 1.00 0.00 C ATOM 159 C THR A 16 -5.517 2.303 13.771 1.00 0.00 C ATOM 160 O THR A 16 -6.449 2.326 12.969 1.00 0.00 O ATOM 161 CB THR A 16 -5.523 2.808 16.221 1.00 0.00 C ATOM 162 OG1 THR A 16 -5.350 2.185 17.500 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.717 3.765 16.294 1.00 0.00 C ATOM 0 H THR A 16 -4.171 0.730 16.210 1.00 0.00 H new ATOM 0 HA THR A 16 -6.738 1.313 15.236 1.00 0.00 H new ATOM 0 HB THR A 16 -4.648 3.393 15.938 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.219 2.874 18.184 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.528 4.526 17.052 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.859 4.245 15.326 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.615 3.207 16.557 1.00 0.00 H new ATOM 166 N MET A 17 -4.256 2.580 13.434 1.00 0.00 N ATOM 167 CA MET A 17 -3.888 3.162 12.121 1.00 0.00 C ATOM 168 C MET A 17 -4.320 2.239 10.959 1.00 0.00 C ATOM 169 O MET A 17 -4.963 2.684 10.014 1.00 0.00 O ATOM 170 CB MET A 17 -2.378 3.436 12.118 1.00 0.00 C ATOM 171 CG MET A 17 -1.904 4.324 10.968 1.00 0.00 C ATOM 172 SD MET A 17 -1.883 3.474 9.349 1.00 0.00 S ATOM 173 CE MET A 17 -1.802 4.895 8.277 1.00 0.00 C ATOM 0 H MET A 17 -3.460 2.413 14.050 1.00 0.00 H new ATOM 0 HA MET A 17 -4.417 4.103 11.968 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.104 3.907 13.062 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.848 2.485 12.070 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.553 5.197 10.902 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.901 4.689 11.191 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.442 4.733 7.410 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.140 5.779 8.818 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.774 5.043 7.947 1.00 0.00 H new ATOM 175 N ARG A 18 -4.046 0.950 11.147 1.00 0.00 N ATOM 176 CA ARG A 18 -4.376 -0.138 10.196 1.00 0.00 C ATOM 177 C ARG A 18 -5.879 -0.144 9.863 1.00 0.00 C ATOM 178 O ARG A 18 -6.253 0.191 8.735 1.00 0.00 O ATOM 179 CB ARG A 18 -3.941 -1.442 10.880 1.00 0.00 C ATOM 180 CG ARG A 18 -3.544 -2.569 9.921 1.00 0.00 C ATOM 181 CD ARG A 18 -3.226 -3.865 10.681 1.00 0.00 C ATOM 182 NE ARG A 18 -2.114 -3.680 11.634 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.076 -4.059 12.907 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.038 -4.788 13.467 1.00 0.00 N ATOM 185 NH2 ARG A 18 -1.013 -3.758 13.640 1.00 0.00 N ATOM 0 H ARG A 18 -3.575 0.612 11.986 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.862 -0.008 9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.097 -1.228 11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.756 -1.793 11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.354 -2.749 9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.674 -2.264 9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.114 -4.199 11.218 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.969 -4.650 9.970 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.283 -3.209 11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.845 -5.078 12.915 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.968 -5.057 14.448 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.237 -3.241 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.971 -4.043 14.619 1.00 0.00 H new ATOM 192 N ARG A 19 -6.707 -0.288 10.896 1.00 0.00 N ATOM 193 CA ARG A 19 -8.185 -0.338 10.732 1.00 0.00 C ATOM 194 C ARG A 19 -8.800 0.905 10.071 1.00 0.00 C ATOM 195 O ARG A 19 -9.664 0.766 9.213 1.00 0.00 O ATOM 196 CB ARG A 19 -8.892 -0.742 12.029 1.00 0.00 C ATOM 197 CG ARG A 19 -8.786 0.277 13.165 1.00 0.00 C ATOM 198 CD ARG A 19 -9.300 -0.278 14.489 1.00 0.00 C ATOM 199 NE ARG A 19 -9.223 0.793 15.496 1.00 0.00 N ATOM 200 CZ ARG A 19 -9.164 0.649 16.823 1.00 0.00 C ATOM 201 NH1 ARG A 19 -9.122 -0.549 17.398 1.00 0.00 N ATOM 202 NH2 ARG A 19 -9.145 1.722 17.595 1.00 0.00 N ATOM 0 H ARG A 19 -6.393 -0.373 11.863 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.365 -1.133 10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.946 -0.914 11.812 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.478 -1.690 12.371 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.746 0.582 13.281 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.353 1.170 12.903 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.327 -0.627 14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.703 -1.136 14.799 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.214 1.750 15.142 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.134 -1.391 16.823 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.077 -0.626 18.414 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.175 2.652 17.177 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.100 1.620 18.609 1.00 0.00 H new ATOM 209 N ILE A 20 -8.249 2.084 10.374 1.00 0.00 N ATOM 210 CA ILE A 20 -8.703 3.364 9.777 1.00 0.00 C ATOM 211 C ILE A 20 -8.583 3.304 8.241 1.00 0.00 C ATOM 212 O ILE A 20 -9.585 3.481 7.555 1.00 0.00 O ATOM 213 CB ILE A 20 -7.968 4.578 10.384 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.248 4.667 11.889 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.384 5.893 9.707 1.00 0.00 C ATOM 216 CD1 ILE A 20 -7.239 5.529 12.662 1.00 0.00 C ATOM 0 H ILE A 20 -7.479 2.189 11.035 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.756 3.505 10.022 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.901 4.432 10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.248 5.074 12.039 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.247 3.661 12.308 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.845 6.723 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.147 5.846 8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.456 6.044 9.833 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.506 5.542 13.719 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.239 5.111 12.545 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.255 6.546 12.271 1.00 0.00 H new ATOM 218 N VAL A 21 -7.417 2.887 7.735 1.00 0.00 N ATOM 219 CA VAL A 21 -7.151 2.764 6.275 1.00 0.00 C ATOM 220 C VAL A 21 -8.203 1.853 5.616 1.00 0.00 C ATOM 221 O VAL A 21 -8.822 2.227 4.617 1.00 0.00 O ATOM 222 CB VAL A 21 -5.736 2.252 5.974 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.395 2.437 4.489 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.641 2.936 6.793 1.00 0.00 C ATOM 0 H VAL A 21 -6.622 2.622 8.317 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.223 3.766 5.851 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.755 1.198 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.387 2.067 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.107 1.880 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.448 3.495 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.671 2.519 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.647 4.006 6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.824 2.771 7.855 1.00 0.00 H new ATOM 226 N ARG A 22 -8.448 0.700 6.241 1.00 0.00 N ATOM 227 CA ARG A 22 -9.455 -0.302 5.816 1.00 0.00 C ATOM 228 C ARG A 22 -10.836 0.362 5.602 1.00 0.00 C ATOM 229 O ARG A 22 -11.399 0.321 4.501 1.00 0.00 O ATOM 230 CB ARG A 22 -9.489 -1.367 6.919 1.00 0.00 C ATOM 231 CG ARG A 22 -10.611 -2.400 6.820 1.00 0.00 C ATOM 232 CD ARG A 22 -10.769 -3.156 8.151 1.00 0.00 C ATOM 233 NE ARG A 22 -11.207 -2.239 9.222 1.00 0.00 N ATOM 234 CZ ARG A 22 -12.224 -2.419 10.064 1.00 0.00 C ATOM 235 NH1 ARG A 22 -13.007 -3.488 10.020 1.00 0.00 N ATOM 236 NH2 ARG A 22 -12.501 -1.505 10.979 1.00 0.00 N ATOM 0 H ARG A 22 -7.943 0.420 7.082 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.195 -0.755 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.535 -1.895 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.571 -0.862 7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.547 -1.905 6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.394 -3.106 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.495 -3.960 8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.822 -3.619 8.427 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.674 -1.376 9.329 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.842 -4.213 9.322 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.775 -3.585 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.935 -0.659 11.042 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.280 -1.647 11.622 1.00 0.00 H new ATOM 243 N ASN A 23 -11.275 1.104 6.618 1.00 0.00 N ATOM 244 CA ASN A 23 -12.563 1.831 6.621 1.00 0.00 C ATOM 245 C ASN A 23 -12.635 2.909 5.518 1.00 0.00 C ATOM 246 O ASN A 23 -13.633 2.990 4.797 1.00 0.00 O ATOM 247 CB ASN A 23 -12.808 2.416 8.020 1.00 0.00 C ATOM 248 CG ASN A 23 -12.772 1.350 9.125 1.00 0.00 C ATOM 249 OD1 ASN A 23 -12.259 1.552 10.213 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.223 0.150 8.821 1.00 0.00 N ATOM 0 H ASN A 23 -10.744 1.225 7.480 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.361 1.126 6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.054 3.175 8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.776 2.916 8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.143 -0.611 9.496 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.652 -0.018 7.911 1.00 0.00 H new ATOM 254 N LEU A 24 -11.523 3.612 5.327 1.00 0.00 N ATOM 255 CA LEU A 24 -11.373 4.650 4.277 1.00 0.00 C ATOM 256 C LEU A 24 -11.620 4.051 2.881 1.00 0.00 C ATOM 257 O LEU A 24 -12.470 4.535 2.141 1.00 0.00 O ATOM 258 CB LEU A 24 -9.956 5.238 4.333 1.00 0.00 C ATOM 259 CG LEU A 24 -9.695 6.055 5.601 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.259 6.574 5.613 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.652 7.246 5.792 1.00 0.00 C ATOM 0 H LEU A 24 -10.685 3.486 5.895 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.108 5.434 4.458 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.230 4.427 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.797 5.872 3.460 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.871 5.367 6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.089 7.153 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.568 5.732 5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.094 7.208 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.399 7.772 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.557 7.928 4.947 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.678 6.883 5.851 1.00 0.00 H new ATOM 263 N LEU A 25 -10.924 2.958 2.593 1.00 0.00 N ATOM 264 CA LEU A 25 -11.058 2.198 1.333 1.00 0.00 C ATOM 265 C LEU A 25 -12.507 1.765 1.057 1.00 0.00 C ATOM 266 O LEU A 25 -13.051 2.001 -0.023 1.00 0.00 O ATOM 267 CB LEU A 25 -10.182 0.947 1.341 1.00 0.00 C ATOM 268 CG LEU A 25 -8.718 1.350 1.345 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.822 0.202 1.788 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.264 1.857 -0.034 1.00 0.00 C ATOM 0 H LEU A 25 -10.236 2.559 3.232 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.735 2.879 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.405 0.340 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.398 0.334 0.466 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.623 2.164 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.782 0.528 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.097 -0.105 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.945 -0.640 1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.211 2.136 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.401 1.069 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.858 2.726 -0.316 1.00 0.00 H new ATOM 272 N LYS A 26 -13.133 1.232 2.102 1.00 0.00 N ATOM 273 CA LYS A 26 -14.549 0.811 2.070 1.00 0.00 C ATOM 274 C LYS A 26 -15.484 1.985 1.716 1.00 0.00 C ATOM 275 O LYS A 26 -16.268 1.863 0.781 1.00 0.00 O ATOM 276 CB LYS A 26 -14.947 0.140 3.385 1.00 0.00 C ATOM 277 CG LYS A 26 -14.312 -1.241 3.490 1.00 0.00 C ATOM 278 CD LYS A 26 -14.694 -1.935 4.797 1.00 0.00 C ATOM 279 CE LYS A 26 -14.155 -3.370 4.807 1.00 0.00 C ATOM 280 NZ LYS A 26 -14.535 -4.019 6.058 1.00 0.00 N ATOM 0 H LYS A 26 -12.680 1.075 3.002 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.661 0.072 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.631 0.757 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -16.032 0.054 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.629 -1.853 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.228 -1.150 3.429 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.290 -1.380 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.778 -1.944 4.910 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.554 -3.927 3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.070 -3.364 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.171 -4.993 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.134 -3.491 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.572 -4.036 6.139 1.00 0.00 H new ATOM 285 N GLU A 27 -15.222 3.148 2.320 1.00 0.00 N ATOM 286 CA GLU A 27 -15.949 4.405 2.078 1.00 0.00 C ATOM 287 C GLU A 27 -15.878 4.838 0.599 1.00 0.00 C ATOM 288 O GLU A 27 -16.845 5.328 0.038 1.00 0.00 O ATOM 289 CB GLU A 27 -15.289 5.469 2.963 1.00 0.00 C ATOM 290 CG GLU A 27 -15.752 5.435 4.422 1.00 0.00 C ATOM 291 CD GLU A 27 -14.860 6.340 5.287 1.00 0.00 C ATOM 292 OE1 GLU A 27 -14.963 7.579 5.129 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.098 5.771 6.102 1.00 0.00 O ATOM 0 H GLU A 27 -14.478 3.247 3.011 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.005 4.274 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.208 5.334 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.499 6.455 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.789 5.764 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.717 4.412 4.798 1.00 0.00 H new ATOM 295 N LEU A 28 -14.694 4.629 0.014 1.00 0.00 N ATOM 296 CA LEU A 28 -14.383 4.923 -1.406 1.00 0.00 C ATOM 297 C LEU A 28 -15.001 3.921 -2.407 1.00 0.00 C ATOM 298 O LEU A 28 -14.991 4.170 -3.606 1.00 0.00 O ATOM 299 CB LEU A 28 -12.857 4.908 -1.604 1.00 0.00 C ATOM 300 CG LEU A 28 -12.101 5.935 -0.754 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.605 5.634 -0.795 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.388 7.368 -1.183 1.00 0.00 C ATOM 0 H LEU A 28 -13.898 4.241 0.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -14.819 5.900 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.482 3.912 -1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.637 5.091 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.456 5.848 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.070 6.366 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.424 4.634 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.251 5.687 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.828 8.056 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.087 7.504 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.455 7.570 -1.085 1.00 0.00 H new ATOM 304 N GLY A 29 -15.405 2.761 -1.897 1.00 0.00 N ATOM 305 CA GLY A 29 -16.007 1.667 -2.688 1.00 0.00 C ATOM 306 C GLY A 29 -15.129 0.419 -2.873 1.00 0.00 C ATOM 307 O GLY A 29 -15.538 -0.520 -3.552 1.00 0.00 O ATOM 0 H GLY A 29 -15.326 2.541 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.938 1.366 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.267 2.055 -3.673 1.00 0.00 H new ATOM 309 N PHE A 30 -14.009 0.340 -2.159 1.00 0.00 N ATOM 310 CA PHE A 30 -13.079 -0.799 -2.249 1.00 0.00 C ATOM 311 C PHE A 30 -13.386 -1.874 -1.204 1.00 0.00 C ATOM 312 O PHE A 30 -13.070 -1.760 -0.015 1.00 0.00 O ATOM 313 CB PHE A 30 -11.622 -0.349 -2.201 1.00 0.00 C ATOM 314 CG PHE A 30 -11.265 0.630 -3.327 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.150 0.151 -4.665 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.051 1.983 -3.026 1.00 0.00 C ATOM 317 CE1 PHE A 30 -10.815 1.057 -5.696 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.716 2.889 -4.057 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.609 2.413 -5.378 1.00 0.00 C ATOM 0 H PHE A 30 -13.714 1.060 -1.500 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.234 -1.259 -3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.424 0.123 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.974 -1.223 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.317 -0.892 -4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.142 2.332 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.718 0.714 -6.715 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.544 3.932 -3.835 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.362 3.107 -6.168 1.00 0.00 H new ATOM 321 N ASN A 31 -14.034 -2.904 -1.723 1.00 0.00 N ATOM 322 CA ASN A 31 -14.558 -4.076 -0.986 1.00 0.00 C ATOM 323 C ASN A 31 -13.557 -5.017 -0.281 1.00 0.00 C ATOM 324 O ASN A 31 -13.708 -5.265 0.914 1.00 0.00 O ATOM 325 CB ASN A 31 -15.430 -4.923 -1.921 1.00 0.00 C ATOM 326 CG ASN A 31 -16.490 -4.107 -2.664 1.00 0.00 C ATOM 327 OD1 ASN A 31 -16.391 -3.872 -3.861 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.484 -3.631 -1.957 1.00 0.00 N ATOM 0 H ASN A 31 -14.227 -2.962 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 31 -15.104 -3.610 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.791 -5.423 -2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.923 -5.703 -1.340 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.195 -3.052 -2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.547 -3.839 -0.961 1.00 0.00 H new ATOM 332 N ASN A 32 -12.535 -5.486 -0.998 1.00 0.00 N ATOM 333 CA ASN A 32 -11.587 -6.477 -0.447 1.00 0.00 C ATOM 334 C ASN A 32 -10.328 -5.865 0.174 1.00 0.00 C ATOM 335 O ASN A 32 -9.423 -5.408 -0.519 1.00 0.00 O ATOM 336 CB ASN A 32 -11.233 -7.522 -1.502 1.00 0.00 C ATOM 337 CG ASN A 32 -12.483 -8.258 -2.002 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.070 -9.103 -1.341 1.00 0.00 O ATOM 339 ND2 ASN A 32 -12.928 -7.925 -3.200 1.00 0.00 N ATOM 0 H ASN A 32 -12.336 -5.202 -1.957 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.105 -6.962 0.380 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.733 -7.039 -2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.529 -8.241 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.764 -8.373 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.436 -7.220 -3.749 1.00 0.00 H new ATOM 343 N VAL A 33 -10.343 -5.811 1.502 1.00 0.00 N ATOM 344 CA VAL A 33 -9.231 -5.244 2.286 1.00 0.00 C ATOM 345 C VAL A 33 -8.808 -6.202 3.418 1.00 0.00 C ATOM 346 O VAL A 33 -9.607 -6.538 4.289 1.00 0.00 O ATOM 347 CB VAL A 33 -9.621 -3.867 2.866 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.418 -3.214 3.553 1.00 0.00 C ATOM 349 CG2 VAL A 33 -10.128 -2.885 1.800 1.00 0.00 C ATOM 0 H VAL A 33 -11.117 -6.155 2.070 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.381 -5.112 1.616 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.427 -4.065 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.711 -2.245 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.071 -3.854 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.615 -3.078 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.385 -1.937 2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.348 -2.720 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.011 -3.300 1.314 1.00 0.00 H new ATOM 351 N GLU A 34 -7.555 -6.648 3.351 1.00 0.00 N ATOM 352 CA GLU A 34 -6.954 -7.520 4.385 1.00 0.00 C ATOM 353 C GLU A 34 -5.890 -6.704 5.128 1.00 0.00 C ATOM 354 O GLU A 34 -5.353 -5.731 4.586 1.00 0.00 O ATOM 355 CB GLU A 34 -6.382 -8.796 3.764 1.00 0.00 C ATOM 356 CG GLU A 34 -7.459 -9.789 3.280 1.00 0.00 C ATOM 357 CD GLU A 34 -8.353 -9.276 2.146 1.00 0.00 C ATOM 358 OE1 GLU A 34 -7.809 -8.845 1.102 1.00 0.00 O ATOM 359 OE2 GLU A 34 -9.584 -9.307 2.345 1.00 0.00 O ATOM 0 H GLU A 34 -6.921 -6.422 2.585 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.712 -7.849 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.746 -8.525 2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.746 -9.293 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.966 -10.703 2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.091 -10.057 4.127 1.00 0.00 H new ATOM 361 N GLU A 35 -5.566 -7.116 6.348 1.00 0.00 N ATOM 362 CA GLU A 35 -4.644 -6.326 7.183 1.00 0.00 C ATOM 363 C GLU A 35 -3.444 -7.091 7.759 1.00 0.00 C ATOM 364 O GLU A 35 -3.596 -8.195 8.285 1.00 0.00 O ATOM 365 CB GLU A 35 -5.414 -5.667 8.332 1.00 0.00 C ATOM 366 CG GLU A 35 -6.504 -4.720 7.832 1.00 0.00 C ATOM 367 CD GLU A 35 -7.039 -3.828 8.951 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.561 -4.378 9.950 1.00 0.00 O ATOM 369 OE2 GLU A 35 -6.948 -2.610 8.759 1.00 0.00 O ATOM 0 H GLU A 35 -5.914 -7.971 6.781 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.221 -5.588 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.865 -6.440 8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.718 -5.115 8.963 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.105 -4.098 7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.323 -5.301 7.407 1.00 0.00 H new ATOM 371 N ALA A 36 -2.275 -6.519 7.521 1.00 0.00 N ATOM 372 CA ALA A 36 -0.972 -7.024 8.017 1.00 0.00 C ATOM 373 C ALA A 36 -0.302 -5.983 8.923 1.00 0.00 C ATOM 374 O ALA A 36 -0.477 -4.777 8.746 1.00 0.00 O ATOM 375 CB ALA A 36 -0.056 -7.375 6.845 1.00 0.00 C ATOM 0 H ALA A 36 -2.186 -5.668 6.965 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.152 -7.927 8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.896 -7.744 7.225 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.526 -8.146 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.116 -6.486 6.238 1.00 0.00 H new ATOM 377 N GLU A 37 0.557 -6.472 9.816 1.00 0.00 N ATOM 378 CA GLU A 37 1.254 -5.608 10.795 1.00 0.00 C ATOM 379 C GLU A 37 2.570 -4.987 10.290 1.00 0.00 C ATOM 380 O GLU A 37 2.744 -3.767 10.277 1.00 0.00 O ATOM 381 CB GLU A 37 1.519 -6.371 12.091 1.00 0.00 C ATOM 382 CG GLU A 37 0.231 -6.875 12.758 1.00 0.00 C ATOM 383 CD GLU A 37 0.524 -7.734 13.986 1.00 0.00 C ATOM 384 OE1 GLU A 37 1.023 -8.861 13.776 1.00 0.00 O ATOM 385 OE2 GLU A 37 0.272 -7.249 15.105 1.00 0.00 O ATOM 0 H GLU A 37 0.794 -7.461 9.890 1.00 0.00 H new ATOM 0 HA GLU A 37 0.572 -4.775 10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.170 -7.220 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.053 -5.723 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.384 -6.024 13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.347 -7.455 12.039 1.00 0.00 H new ATOM 387 N ASP A 38 3.421 -5.825 9.709 1.00 0.00 N ATOM 388 CA ASP A 38 4.758 -5.421 9.237 1.00 0.00 C ATOM 389 C ASP A 38 5.083 -6.160 7.923 1.00 0.00 C ATOM 390 O ASP A 38 4.452 -7.188 7.639 1.00 0.00 O ATOM 391 CB ASP A 38 5.808 -5.715 10.314 1.00 0.00 C ATOM 392 CG ASP A 38 5.964 -7.208 10.609 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.147 -7.728 11.394 1.00 0.00 O ATOM 394 OD2 ASP A 38 6.768 -7.830 9.880 1.00 0.00 O ATOM 0 H ASP A 38 3.210 -6.810 9.547 1.00 0.00 H new ATOM 0 HA ASP A 38 4.771 -4.348 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.769 -5.311 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.533 -5.196 11.232 1.00 0.00 H new ATOM 396 N GLY A 39 6.208 -5.785 7.325 1.00 0.00 N ATOM 397 CA GLY A 39 6.726 -6.348 6.061 1.00 0.00 C ATOM 398 C GLY A 39 6.645 -7.879 5.911 1.00 0.00 C ATOM 399 O GLY A 39 5.973 -8.378 5.007 1.00 0.00 O ATOM 0 H GLY A 39 6.812 -5.059 7.710 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.179 -5.894 5.235 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.769 -6.049 5.955 1.00 0.00 H new ATOM 401 N VAL A 40 7.226 -8.589 6.868 1.00 0.00 N ATOM 402 CA VAL A 40 7.247 -10.069 6.885 1.00 0.00 C ATOM 403 C VAL A 40 5.821 -10.661 6.814 1.00 0.00 C ATOM 404 O VAL A 40 5.483 -11.319 5.828 1.00 0.00 O ATOM 405 CB VAL A 40 8.012 -10.606 8.117 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.095 -12.137 8.108 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.438 -10.051 8.185 1.00 0.00 C ATOM 0 H VAL A 40 7.702 -8.165 7.664 1.00 0.00 H new ATOM 0 HA VAL A 40 7.781 -10.395 5.992 1.00 0.00 H new ATOM 0 HB VAL A 40 7.448 -10.274 8.989 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.639 -12.477 8.989 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.089 -12.556 8.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.616 -12.468 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.943 -10.452 9.064 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.985 -10.342 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.402 -8.964 8.251 1.00 0.00 H new ATOM 409 N ASP A 41 4.967 -10.232 7.750 1.00 0.00 N ATOM 410 CA ASP A 41 3.556 -10.673 7.838 1.00 0.00 C ATOM 411 C ASP A 41 2.785 -10.404 6.532 1.00 0.00 C ATOM 412 O ASP A 41 1.918 -11.188 6.136 1.00 0.00 O ATOM 413 CB ASP A 41 2.911 -9.949 9.027 1.00 0.00 C ATOM 414 CG ASP A 41 1.481 -10.390 9.357 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.211 -11.609 9.320 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.709 -9.460 9.695 1.00 0.00 O ATOM 0 H ASP A 41 5.230 -9.565 8.476 1.00 0.00 H new ATOM 0 HA ASP A 41 3.520 -11.752 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.535 -10.102 9.908 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.907 -8.878 8.822 1.00 0.00 H new ATOM 418 N ALA A 42 3.142 -9.310 5.863 1.00 0.00 N ATOM 419 CA ALA A 42 2.562 -8.894 4.579 1.00 0.00 C ATOM 420 C ALA A 42 2.895 -9.878 3.455 1.00 0.00 C ATOM 421 O ALA A 42 1.970 -10.390 2.824 1.00 0.00 O ATOM 422 CB ALA A 42 3.070 -7.501 4.233 1.00 0.00 C ATOM 0 H ALA A 42 3.860 -8.670 6.203 1.00 0.00 H new ATOM 0 HA ALA A 42 1.477 -8.881 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.644 -7.184 3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.773 -6.801 5.014 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.157 -7.519 4.156 1.00 0.00 H new ATOM 424 N LEU A 43 4.164 -10.264 3.327 1.00 0.00 N ATOM 425 CA LEU A 43 4.622 -11.253 2.314 1.00 0.00 C ATOM 426 C LEU A 43 3.884 -12.592 2.462 1.00 0.00 C ATOM 427 O LEU A 43 3.538 -13.245 1.472 1.00 0.00 O ATOM 428 CB LEU A 43 6.132 -11.482 2.380 1.00 0.00 C ATOM 429 CG LEU A 43 6.952 -10.264 1.922 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.442 -10.530 2.167 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.736 -9.938 0.443 1.00 0.00 C ATOM 0 H LEU A 43 4.916 -9.907 3.917 1.00 0.00 H new ATOM 0 HA LEU A 43 4.385 -10.829 1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.410 -11.735 3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.390 -12.340 1.759 1.00 0.00 H new ATOM 0 HG LEU A 43 6.613 -9.406 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.024 -9.667 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.611 -10.703 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.752 -11.410 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.337 -9.071 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.034 -10.792 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.683 -9.719 0.269 1.00 0.00 H new ATOM 433 N ASN A 44 3.690 -12.991 3.712 1.00 0.00 N ATOM 434 CA ASN A 44 2.927 -14.200 4.095 1.00 0.00 C ATOM 435 C ASN A 44 1.484 -14.083 3.561 1.00 0.00 C ATOM 436 O ASN A 44 1.109 -14.784 2.622 1.00 0.00 O ATOM 437 CB ASN A 44 2.903 -14.330 5.628 1.00 0.00 C ATOM 438 CG ASN A 44 4.262 -14.592 6.285 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.328 -14.175 5.843 1.00 0.00 O ATOM 440 ND2 ASN A 44 4.244 -15.244 7.426 1.00 0.00 N ATOM 0 H ASN A 44 4.061 -12.482 4.514 1.00 0.00 H new ATOM 0 HA ASN A 44 3.402 -15.083 3.667 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.486 -13.414 6.047 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.226 -15.141 5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 44 5.112 -15.400 7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.362 -15.594 7.800 1.00 0.00 H new ATOM 444 N LYS A 45 0.814 -13.033 4.019 1.00 0.00 N ATOM 445 CA LYS A 45 -0.577 -12.694 3.650 1.00 0.00 C ATOM 446 C LYS A 45 -0.839 -12.480 2.147 1.00 0.00 C ATOM 447 O LYS A 45 -1.797 -13.034 1.623 1.00 0.00 O ATOM 448 CB LYS A 45 -1.035 -11.510 4.509 1.00 0.00 C ATOM 449 CG LYS A 45 -1.428 -12.048 5.890 1.00 0.00 C ATOM 450 CD LYS A 45 -1.725 -10.953 6.919 1.00 0.00 C ATOM 451 CE LYS A 45 -2.203 -11.614 8.214 1.00 0.00 C ATOM 452 NZ LYS A 45 -2.416 -10.604 9.257 1.00 0.00 N ATOM 0 H LYS A 45 1.224 -12.369 4.676 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.185 -13.573 3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.236 -10.774 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.881 -11.006 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.308 -12.683 5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.623 -12.679 6.267 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.831 -10.358 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.487 -10.273 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.130 -12.158 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.466 -12.343 8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.042 -10.991 9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.502 -10.345 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.855 -9.759 8.838 1.00 0.00 H new ATOM 457 N LEU A 46 0.105 -11.829 1.458 1.00 0.00 N ATOM 458 CA LEU A 46 0.064 -11.579 -0.008 1.00 0.00 C ATOM 459 C LEU A 46 -0.163 -12.841 -0.847 1.00 0.00 C ATOM 460 O LEU A 46 -0.965 -12.827 -1.785 1.00 0.00 O ATOM 461 CB LEU A 46 1.347 -10.879 -0.477 1.00 0.00 C ATOM 462 CG LEU A 46 1.265 -9.368 -0.258 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.657 -8.735 -0.304 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.340 -8.714 -1.287 1.00 0.00 C ATOM 0 H LEU A 46 0.941 -11.449 1.903 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.799 -10.933 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.203 -11.282 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.512 -11.087 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 46 0.844 -9.196 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.573 -7.660 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.280 -9.169 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.111 -8.924 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.299 -7.639 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.722 -8.901 -2.291 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.661 -9.135 -1.196 1.00 0.00 H new ATOM 466 N GLN A 47 0.453 -13.938 -0.421 1.00 0.00 N ATOM 467 CA GLN A 47 0.336 -15.255 -1.079 1.00 0.00 C ATOM 468 C GLN A 47 -1.104 -15.789 -1.146 1.00 0.00 C ATOM 469 O GLN A 47 -1.476 -16.410 -2.145 1.00 0.00 O ATOM 470 CB GLN A 47 1.266 -16.266 -0.396 1.00 0.00 C ATOM 471 CG GLN A 47 2.724 -15.989 -0.746 1.00 0.00 C ATOM 472 CD GLN A 47 3.697 -16.872 0.025 1.00 0.00 C ATOM 473 OE1 GLN A 47 3.868 -18.063 -0.203 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.391 -16.271 0.975 1.00 0.00 N ATOM 0 H GLN A 47 1.058 -13.949 0.400 1.00 0.00 H new ATOM 0 HA GLN A 47 0.643 -15.115 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.132 -16.217 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.000 -17.277 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.871 -16.142 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.949 -14.943 -0.540 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.246 -15.279 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.072 -16.799 1.521 1.00 0.00 H new ATOM 478 N ALA A 48 -1.939 -15.349 -0.202 1.00 0.00 N ATOM 479 CA ALA A 48 -3.367 -15.734 -0.089 1.00 0.00 C ATOM 480 C ALA A 48 -4.302 -15.015 -1.091 1.00 0.00 C ATOM 481 O ALA A 48 -5.175 -14.227 -0.729 1.00 0.00 O ATOM 482 CB ALA A 48 -3.800 -15.554 1.366 1.00 0.00 C ATOM 0 H ALA A 48 -1.644 -14.699 0.527 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.461 -16.782 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.849 -15.832 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.190 -16.189 2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.670 -14.512 1.658 1.00 0.00 H new ATOM 484 N GLY A 49 -3.963 -15.181 -2.368 1.00 0.00 N ATOM 485 CA GLY A 49 -4.735 -14.665 -3.508 1.00 0.00 C ATOM 486 C GLY A 49 -4.004 -13.780 -4.526 1.00 0.00 C ATOM 487 O GLY A 49 -4.557 -13.516 -5.582 1.00 0.00 O ATOM 0 H GLY A 49 -3.125 -15.689 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.151 -15.518 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.576 -14.096 -3.112 1.00 0.00 H new ATOM 489 N GLY A 50 -2.814 -13.276 -4.169 1.00 0.00 N ATOM 490 CA GLY A 50 -2.014 -12.396 -5.059 1.00 0.00 C ATOM 491 C GLY A 50 -2.714 -11.043 -5.249 1.00 0.00 C ATOM 492 O GLY A 50 -3.055 -10.636 -6.363 1.00 0.00 O ATOM 0 H GLY A 50 -2.375 -13.459 -3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.023 -12.242 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.874 -12.878 -6.026 1.00 0.00 H new ATOM 494 N TYR A 51 -2.756 -10.322 -4.140 1.00 0.00 N ATOM 495 CA TYR A 51 -3.406 -8.997 -3.967 1.00 0.00 C ATOM 496 C TYR A 51 -2.861 -7.930 -4.923 1.00 0.00 C ATOM 497 O TYR A 51 -1.719 -7.496 -4.771 1.00 0.00 O ATOM 498 CB TYR A 51 -3.225 -8.558 -2.514 1.00 0.00 C ATOM 499 CG TYR A 51 -3.858 -9.459 -1.443 1.00 0.00 C ATOM 500 CD1 TYR A 51 -3.512 -10.827 -1.305 1.00 0.00 C ATOM 501 CD2 TYR A 51 -4.516 -8.762 -0.416 1.00 0.00 C ATOM 502 CE1 TYR A 51 -3.782 -11.485 -0.099 1.00 0.00 C ATOM 503 CE2 TYR A 51 -4.773 -9.431 0.800 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.390 -10.779 0.953 1.00 0.00 C ATOM 505 OH TYR A 51 -4.481 -11.367 2.169 1.00 0.00 O ATOM 0 H TYR A 51 -2.318 -10.648 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.463 -9.103 -4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.157 -8.484 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.640 -7.556 -2.406 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.045 -11.356 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.819 -7.735 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.525 -12.527 0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.262 -8.912 1.611 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.728 -11.982 2.292 1.00 0.00 H new ATOM 508 N GLY A 52 -3.807 -7.267 -5.589 1.00 0.00 N ATOM 509 CA GLY A 52 -3.528 -6.238 -6.605 1.00 0.00 C ATOM 510 C GLY A 52 -3.257 -4.810 -6.085 1.00 0.00 C ATOM 511 O GLY A 52 -3.372 -3.864 -6.852 1.00 0.00 O ATOM 0 H GLY A 52 -4.803 -7.428 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.664 -6.559 -7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.375 -6.196 -7.290 1.00 0.00 H new ATOM 513 N PHE A 53 -2.912 -4.706 -4.800 1.00 0.00 N ATOM 514 CA PHE A 53 -2.607 -3.424 -4.119 1.00 0.00 C ATOM 515 C PHE A 53 -2.060 -3.641 -2.698 1.00 0.00 C ATOM 516 O PHE A 53 -2.643 -4.332 -1.862 1.00 0.00 O ATOM 517 CB PHE A 53 -3.843 -2.526 -4.033 1.00 0.00 C ATOM 518 CG PHE A 53 -3.484 -1.063 -4.309 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.592 -0.363 -3.471 1.00 0.00 C ATOM 520 CD2 PHE A 53 -3.970 -0.469 -5.502 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.152 0.933 -3.831 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.542 0.824 -5.868 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.632 1.511 -5.029 1.00 0.00 C ATOM 0 H PHE A 53 -2.832 -5.516 -4.185 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.842 -2.937 -4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.591 -2.862 -4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.291 -2.613 -3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.244 -0.816 -2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.667 -1.006 -6.129 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.460 1.472 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.904 1.284 -6.776 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.297 2.498 -5.310 1.00 0.00 H new ATOM 525 N VAL A 54 -0.932 -2.990 -2.461 1.00 0.00 N ATOM 526 CA VAL A 54 -0.236 -3.023 -1.150 1.00 0.00 C ATOM 527 C VAL A 54 -0.114 -1.589 -0.639 1.00 0.00 C ATOM 528 O VAL A 54 0.467 -0.714 -1.298 1.00 0.00 O ATOM 529 CB VAL A 54 1.158 -3.682 -1.273 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.805 -3.851 0.098 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.098 -5.050 -1.947 1.00 0.00 C ATOM 0 H VAL A 54 -0.460 -2.419 -3.162 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.811 -3.624 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 54 1.754 -3.011 -1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.784 -4.317 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.920 -2.875 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.174 -4.483 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.102 -5.470 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.462 -5.716 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.687 -4.943 -2.951 1.00 0.00 H new ATOM 533 N ILE A 55 -0.722 -1.352 0.520 1.00 0.00 N ATOM 534 CA ILE A 55 -0.701 -0.061 1.225 1.00 0.00 C ATOM 535 C ILE A 55 0.202 -0.325 2.449 1.00 0.00 C ATOM 536 O ILE A 55 -0.201 -1.020 3.378 1.00 0.00 O ATOM 537 CB ILE A 55 -2.142 0.377 1.562 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.891 0.740 0.271 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.144 1.539 2.579 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.381 1.063 0.459 1.00 0.00 C ATOM 0 H ILE A 55 -1.258 -2.066 1.012 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.305 0.773 0.645 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.666 -0.454 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.402 1.600 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.799 -0.089 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.172 1.828 2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.652 1.219 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.609 2.391 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.825 1.307 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.890 0.198 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.487 1.913 1.133 1.00 0.00 H new ATOM 542 N SER A 56 1.435 0.133 2.346 1.00 0.00 N ATOM 543 CA SER A 56 2.448 -0.106 3.392 1.00 0.00 C ATOM 544 C SER A 56 3.059 1.106 4.096 1.00 0.00 C ATOM 545 O SER A 56 3.580 2.039 3.486 1.00 0.00 O ATOM 546 CB SER A 56 3.540 -1.034 2.863 1.00 0.00 C ATOM 547 OG SER A 56 4.583 -1.219 3.822 1.00 0.00 O ATOM 0 H SER A 56 1.774 0.676 1.551 1.00 0.00 H new ATOM 0 HA SER A 56 1.873 -0.573 4.192 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.105 -2.000 2.607 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.958 -0.619 1.946 1.00 0.00 H new ATOM 0 HG SER A 56 4.243 -1.017 4.718 1.00 0.00 H new ATOM 550 N ASP A 57 2.949 1.032 5.414 1.00 0.00 N ATOM 551 CA ASP A 57 3.481 2.041 6.358 1.00 0.00 C ATOM 552 C ASP A 57 5.017 2.031 6.323 1.00 0.00 C ATOM 553 O ASP A 57 5.644 1.004 6.558 1.00 0.00 O ATOM 554 CB ASP A 57 2.971 1.680 7.758 1.00 0.00 C ATOM 555 CG ASP A 57 3.227 2.695 8.880 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.134 3.535 8.726 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.527 2.537 9.901 1.00 0.00 O ATOM 0 H ASP A 57 2.479 0.257 5.881 1.00 0.00 H new ATOM 0 HA ASP A 57 3.147 3.042 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.896 1.512 7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.425 0.733 8.049 1.00 0.00 H new ATOM 559 N TRP A 58 5.590 3.220 6.133 1.00 0.00 N ATOM 560 CA TRP A 58 7.050 3.436 6.093 1.00 0.00 C ATOM 561 C TRP A 58 7.701 2.862 7.366 1.00 0.00 C ATOM 562 O TRP A 58 8.519 1.946 7.298 1.00 0.00 O ATOM 563 CB TRP A 58 7.345 4.932 5.972 1.00 0.00 C ATOM 564 CG TRP A 58 8.725 5.204 5.366 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.872 5.348 6.026 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.015 5.330 4.015 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.873 5.567 5.168 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.395 5.548 3.923 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.216 5.216 2.854 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.016 5.651 2.655 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.846 5.310 1.604 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.237 5.511 1.498 1.00 0.00 C ATOM 0 H TRP A 58 5.052 4.076 6.000 1.00 0.00 H new ATOM 0 HA TRP A 58 7.468 2.922 5.227 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.580 5.402 5.354 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.286 5.393 6.958 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.978 5.295 7.099 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.848 5.724 5.425 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.150 5.061 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.078 5.835 2.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.253 5.227 0.705 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.703 5.557 0.525 1.00 0.00 H new ATOM 575 N ASN A 59 7.135 3.244 8.505 1.00 0.00 N ATOM 576 CA ASN A 59 7.578 2.782 9.832 1.00 0.00 C ATOM 577 C ASN A 59 6.855 1.491 10.251 1.00 0.00 C ATOM 578 O ASN A 59 5.667 1.478 10.537 1.00 0.00 O ATOM 579 CB ASN A 59 7.456 3.899 10.887 1.00 0.00 C ATOM 580 CG ASN A 59 6.126 4.659 10.862 1.00 0.00 C ATOM 581 OD1 ASN A 59 5.925 5.592 10.100 1.00 0.00 O ATOM 582 ND2 ASN A 59 5.181 4.237 11.675 1.00 0.00 N ATOM 0 H ASN A 59 6.347 3.890 8.543 1.00 0.00 H new ATOM 0 HA ASN A 59 8.637 2.534 9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.591 3.462 11.876 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.268 4.610 10.739 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.267 4.690 11.674 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.362 3.457 12.306 1.00 0.00 H new ATOM 586 N MET A 60 7.544 0.390 9.962 1.00 0.00 N ATOM 587 CA MET A 60 7.120 -0.986 10.290 1.00 0.00 C ATOM 588 C MET A 60 8.289 -1.794 10.882 1.00 0.00 C ATOM 589 O MET A 60 9.389 -1.739 10.326 1.00 0.00 O ATOM 590 CB MET A 60 6.554 -1.706 9.052 1.00 0.00 C ATOM 591 CG MET A 60 5.159 -1.202 8.669 1.00 0.00 C ATOM 592 SD MET A 60 4.311 -2.156 7.358 1.00 0.00 S ATOM 593 CE MET A 60 5.633 -2.589 6.239 1.00 0.00 C ATOM 0 H MET A 60 8.441 0.422 9.478 1.00 0.00 H new ATOM 0 HA MET A 60 6.329 -0.915 11.037 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.232 -1.563 8.211 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.509 -2.777 9.247 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.532 -1.207 9.561 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.243 -0.165 8.344 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.221 -3.107 5.373 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.144 -1.683 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.342 -3.242 6.749 1.00 0.00 H new ATOM 595 N PRO A 61 8.071 -2.489 12.009 1.00 0.00 N ATOM 596 CA PRO A 61 9.103 -3.301 12.692 1.00 0.00 C ATOM 597 C PRO A 61 9.700 -4.361 11.753 1.00 0.00 C ATOM 598 O PRO A 61 8.982 -4.981 10.965 1.00 0.00 O ATOM 599 CB PRO A 61 8.374 -3.975 13.851 1.00 0.00 C ATOM 600 CG PRO A 61 7.258 -2.989 14.185 1.00 0.00 C ATOM 601 CD PRO A 61 6.828 -2.480 12.810 1.00 0.00 C ATOM 0 HA PRO A 61 9.937 -2.683 13.024 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.978 -4.949 13.565 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.035 -4.137 14.702 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.436 -3.473 14.712 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.612 -2.179 14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.066 -3.123 12.369 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.403 -1.478 12.872 1.00 0.00 H new ATOM 602 N ASN A 62 11.023 -4.504 11.877 1.00 0.00 N ATOM 603 CA ASN A 62 11.889 -5.436 11.118 1.00 0.00 C ATOM 604 C ASN A 62 11.957 -5.143 9.608 1.00 0.00 C ATOM 605 O ASN A 62 12.967 -4.645 9.132 1.00 0.00 O ATOM 606 CB ASN A 62 11.564 -6.913 11.414 1.00 0.00 C ATOM 607 CG ASN A 62 11.884 -7.272 12.873 1.00 0.00 C ATOM 608 OD1 ASN A 62 11.343 -6.731 13.822 1.00 0.00 O ATOM 609 ND2 ASN A 62 12.799 -8.186 13.072 1.00 0.00 N ATOM 0 H ASN A 62 11.556 -3.946 12.544 1.00 0.00 H new ATOM 0 HA ASN A 62 12.897 -5.249 11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.510 -7.103 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.137 -7.555 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.061 -8.447 14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.250 -8.637 12.276 1.00 0.00 H new ATOM 613 N MET A 63 10.823 -5.292 8.922 1.00 0.00 N ATOM 614 CA MET A 63 10.733 -5.034 7.476 1.00 0.00 C ATOM 615 C MET A 63 9.777 -3.853 7.247 1.00 0.00 C ATOM 616 O MET A 63 8.569 -3.951 7.460 1.00 0.00 O ATOM 617 CB MET A 63 10.291 -6.310 6.746 1.00 0.00 C ATOM 618 CG MET A 63 10.398 -6.155 5.228 1.00 0.00 C ATOM 619 SD MET A 63 9.842 -7.626 4.286 1.00 0.00 S ATOM 620 CE MET A 63 11.176 -8.755 4.618 1.00 0.00 C ATOM 0 H MET A 63 9.945 -5.592 9.345 1.00 0.00 H new ATOM 0 HA MET A 63 11.705 -4.761 7.066 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.907 -7.148 7.071 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.262 -6.547 7.017 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.806 -5.293 4.919 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.434 -5.940 4.967 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.040 -9.662 4.028 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.124 -8.287 4.351 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.182 -9.009 5.678 1.00 0.00 H new ATOM 622 N ASP A 64 10.437 -2.698 7.210 1.00 0.00 N ATOM 623 CA ASP A 64 9.813 -1.378 6.975 1.00 0.00 C ATOM 624 C ASP A 64 9.143 -1.279 5.596 1.00 0.00 C ATOM 625 O ASP A 64 9.537 -2.019 4.693 1.00 0.00 O ATOM 626 CB ASP A 64 10.875 -0.279 7.156 1.00 0.00 C ATOM 627 CG ASP A 64 12.024 -0.400 6.147 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.816 0.078 5.006 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.023 -1.064 6.497 1.00 0.00 O ATOM 0 H ASP A 64 11.446 -2.642 7.345 1.00 0.00 H new ATOM 0 HA ASP A 64 9.016 -1.244 7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.404 0.698 7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.277 -0.330 8.168 1.00 0.00 H new ATOM 631 N GLY A 65 8.344 -0.224 5.393 1.00 0.00 N ATOM 632 CA GLY A 65 7.610 0.038 4.131 1.00 0.00 C ATOM 633 C GLY A 65 8.478 -0.082 2.875 1.00 0.00 C ATOM 634 O GLY A 65 8.261 -0.958 2.031 1.00 0.00 O ATOM 0 H GLY A 65 8.181 0.487 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.777 -0.661 4.054 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.182 1.040 4.172 1.00 0.00 H new ATOM 636 N LEU A 66 9.572 0.680 2.867 1.00 0.00 N ATOM 637 CA LEU A 66 10.544 0.722 1.758 1.00 0.00 C ATOM 638 C LEU A 66 11.183 -0.662 1.466 1.00 0.00 C ATOM 639 O LEU A 66 11.352 -1.033 0.304 1.00 0.00 O ATOM 640 CB LEU A 66 11.561 1.813 2.123 1.00 0.00 C ATOM 641 CG LEU A 66 12.597 2.055 1.027 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.994 2.554 -0.297 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.604 3.112 1.497 1.00 0.00 C ATOM 0 H LEU A 66 9.818 1.298 3.640 1.00 0.00 H new ATOM 0 HA LEU A 66 10.056 0.969 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.030 2.743 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.073 1.531 3.043 1.00 0.00 H new ATOM 0 HG LEU A 66 13.065 1.088 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.790 2.703 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.288 1.815 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.476 3.498 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.343 3.284 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.080 4.043 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.106 2.761 2.399 1.00 0.00 H new ATOM 645 N GLU A 67 11.465 -1.435 2.511 1.00 0.00 N ATOM 646 CA GLU A 67 12.019 -2.794 2.353 1.00 0.00 C ATOM 647 C GLU A 67 10.954 -3.773 1.804 1.00 0.00 C ATOM 648 O GLU A 67 11.248 -4.540 0.890 1.00 0.00 O ATOM 649 CB GLU A 67 12.611 -3.285 3.682 1.00 0.00 C ATOM 650 CG GLU A 67 13.458 -4.547 3.483 1.00 0.00 C ATOM 651 CD GLU A 67 14.126 -5.073 4.766 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.643 -4.731 5.865 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.080 -5.862 4.605 1.00 0.00 O ATOM 0 H GLU A 67 11.322 -1.152 3.480 1.00 0.00 H new ATOM 0 HA GLU A 67 12.824 -2.756 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.224 -2.499 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.806 -3.493 4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.826 -5.332 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.232 -4.338 2.744 1.00 0.00 H new ATOM 655 N LEU A 68 9.716 -3.646 2.287 1.00 0.00 N ATOM 656 CA LEU A 68 8.571 -4.457 1.799 1.00 0.00 C ATOM 657 C LEU A 68 8.337 -4.212 0.293 1.00 0.00 C ATOM 658 O LEU A 68 8.122 -5.136 -0.484 1.00 0.00 O ATOM 659 CB LEU A 68 7.313 -4.148 2.633 1.00 0.00 C ATOM 660 CG LEU A 68 6.076 -4.934 2.162 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.241 -6.445 2.293 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.850 -4.480 2.949 1.00 0.00 C ATOM 0 H LEU A 68 9.468 -2.985 3.023 1.00 0.00 H new ATOM 0 HA LEU A 68 8.802 -5.515 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.510 -4.382 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.101 -3.080 2.580 1.00 0.00 H new ATOM 0 HG LEU A 68 5.949 -4.721 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.335 -6.941 1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.089 -6.772 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.417 -6.703 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.975 -5.038 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.012 -4.662 4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.686 -3.415 2.785 1.00 0.00 H new ATOM 664 N LEU A 69 8.469 -2.943 -0.094 1.00 0.00 N ATOM 665 CA LEU A 69 8.372 -2.467 -1.486 1.00 0.00 C ATOM 666 C LEU A 69 9.308 -3.330 -2.371 1.00 0.00 C ATOM 667 O LEU A 69 8.840 -4.035 -3.265 1.00 0.00 O ATOM 668 CB LEU A 69 8.843 -1.014 -1.405 1.00 0.00 C ATOM 669 CG LEU A 69 8.500 -0.083 -2.559 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.996 1.308 -2.180 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.118 -0.508 -3.892 1.00 0.00 C ATOM 0 H LEU A 69 8.652 -2.190 0.569 1.00 0.00 H new ATOM 0 HA LEU A 69 7.375 -2.539 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.431 -0.581 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.927 -1.021 -1.293 1.00 0.00 H new ATOM 0 HG LEU A 69 7.421 -0.109 -2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.768 2.007 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.501 1.634 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.074 1.279 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.831 0.201 -4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.204 -0.526 -3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.760 -1.502 -4.159 1.00 0.00 H new ATOM 673 N LYS A 70 10.556 -3.470 -1.921 1.00 0.00 N ATOM 674 CA LYS A 70 11.604 -4.273 -2.579 1.00 0.00 C ATOM 675 C LYS A 70 11.254 -5.772 -2.679 1.00 0.00 C ATOM 676 O LYS A 70 11.354 -6.354 -3.753 1.00 0.00 O ATOM 677 CB LYS A 70 12.941 -4.088 -1.853 1.00 0.00 C ATOM 678 CG LYS A 70 13.428 -2.636 -1.925 1.00 0.00 C ATOM 679 CD LYS A 70 14.621 -2.415 -1.006 1.00 0.00 C ATOM 680 CE LYS A 70 15.079 -0.956 -1.071 1.00 0.00 C ATOM 681 NZ LYS A 70 16.193 -0.745 -0.133 1.00 0.00 N ATOM 0 H LYS A 70 10.881 -3.018 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 70 11.682 -3.906 -3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.833 -4.384 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.690 -4.745 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.704 -2.392 -2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.618 -1.963 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.352 -2.674 0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.440 -3.073 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.392 -0.708 -2.085 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.250 -0.293 -0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.502 0.247 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.879 -0.965 0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.986 -1.367 -0.390 1.00 0.00 H new ATOM 686 N THR A 71 10.745 -6.346 -1.578 1.00 0.00 N ATOM 687 CA THR A 71 10.326 -7.772 -1.511 1.00 0.00 C ATOM 688 C THR A 71 9.194 -8.082 -2.517 1.00 0.00 C ATOM 689 O THR A 71 9.089 -9.217 -2.978 1.00 0.00 O ATOM 690 CB THR A 71 10.066 -8.249 -0.084 1.00 0.00 C ATOM 691 OG1 THR A 71 9.089 -7.447 0.576 1.00 0.00 O ATOM 692 CG2 THR A 71 11.369 -8.297 0.717 1.00 0.00 C ATOM 0 H THR A 71 10.608 -5.841 -0.702 1.00 0.00 H new ATOM 0 HA THR A 71 11.171 -8.379 -1.836 1.00 0.00 H new ATOM 0 HB THR A 71 9.663 -9.260 -0.146 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.812 -6.716 -0.015 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.161 -8.639 1.731 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.066 -8.985 0.238 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.810 -7.301 0.754 1.00 0.00 H new ATOM 695 N ILE A 72 8.399 -7.072 -2.845 1.00 0.00 N ATOM 696 CA ILE A 72 7.308 -7.152 -3.855 1.00 0.00 C ATOM 697 C ILE A 72 7.926 -7.012 -5.269 1.00 0.00 C ATOM 698 O ILE A 72 7.939 -7.976 -6.024 1.00 0.00 O ATOM 699 CB ILE A 72 6.227 -6.086 -3.565 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.639 -6.269 -2.161 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.104 -6.113 -4.613 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.021 -4.977 -1.600 1.00 0.00 C ATOM 0 H ILE A 72 8.482 -6.149 -2.418 1.00 0.00 H new ATOM 0 HA ILE A 72 6.807 -8.119 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 72 6.716 -5.113 -3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.877 -7.048 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.422 -6.614 -1.486 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.364 -5.349 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.523 -5.916 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.627 -7.093 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.621 -5.168 -0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.786 -4.203 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.217 -4.643 -2.256 1.00 0.00 H new ATOM 704 N ARG A 73 8.636 -5.893 -5.466 1.00 0.00 N ATOM 705 CA ARG A 73 9.328 -5.509 -6.721 1.00 0.00 C ATOM 706 C ARG A 73 10.262 -6.618 -7.272 1.00 0.00 C ATOM 707 O ARG A 73 10.261 -6.890 -8.473 1.00 0.00 O ATOM 708 CB ARG A 73 10.077 -4.188 -6.563 1.00 0.00 C ATOM 709 CG ARG A 73 9.079 -3.025 -6.559 1.00 0.00 C ATOM 710 CD ARG A 73 8.371 -2.879 -7.910 1.00 0.00 C ATOM 711 NE ARG A 73 7.143 -2.068 -7.768 1.00 0.00 N ATOM 712 CZ ARG A 73 5.928 -2.516 -7.487 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.656 -3.804 -7.304 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.913 -1.664 -7.461 1.00 0.00 N ATOM 0 H ARG A 73 8.754 -5.197 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 73 8.543 -5.373 -7.465 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.649 -4.192 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.791 -4.064 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.338 -3.184 -5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.601 -2.099 -6.320 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.042 -2.410 -8.630 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.120 -3.864 -8.303 1.00 0.00 H new ATOM 0 HE ARG A 73 7.241 -1.061 -7.900 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.400 -4.498 -7.378 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.703 -4.099 -7.089 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.072 -0.675 -7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.973 -1.997 -7.246 1.00 0.00 H new ATOM 721 N ALA A 74 11.020 -7.257 -6.388 1.00 0.00 N ATOM 722 CA ALA A 74 11.950 -8.355 -6.749 1.00 0.00 C ATOM 723 C ALA A 74 11.287 -9.722 -7.002 1.00 0.00 C ATOM 724 O ALA A 74 11.806 -10.549 -7.743 1.00 0.00 O ATOM 725 CB ALA A 74 13.006 -8.484 -5.657 1.00 0.00 C ATOM 0 H ALA A 74 11.017 -7.037 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 74 12.389 -8.076 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.696 -9.289 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.557 -7.547 -5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.521 -8.708 -4.707 1.00 0.00 H new ATOM 727 N ASP A 75 10.104 -9.917 -6.425 1.00 0.00 N ATOM 728 CA ASP A 75 9.356 -11.187 -6.524 1.00 0.00 C ATOM 729 C ASP A 75 8.467 -11.234 -7.792 1.00 0.00 C ATOM 730 O ASP A 75 7.313 -10.842 -7.743 1.00 0.00 O ATOM 731 CB ASP A 75 8.542 -11.331 -5.233 1.00 0.00 C ATOM 732 CG ASP A 75 7.939 -12.716 -4.995 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.521 -13.355 -5.991 1.00 0.00 O ATOM 734 OD2 ASP A 75 7.875 -13.097 -3.808 1.00 0.00 O ATOM 0 H ASP A 75 9.628 -9.203 -5.873 1.00 0.00 H new ATOM 0 HA ASP A 75 10.041 -12.029 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.184 -11.082 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.735 -10.598 -5.248 1.00 0.00 H new ATOM 736 N GLY A 76 9.018 -11.841 -8.835 1.00 0.00 N ATOM 737 CA GLY A 76 8.405 -12.057 -10.178 1.00 0.00 C ATOM 738 C GLY A 76 6.946 -11.607 -10.400 1.00 0.00 C ATOM 739 O GLY A 76 6.674 -10.548 -10.950 1.00 0.00 O ATOM 0 H GLY A 76 9.961 -12.226 -8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.026 -11.544 -10.913 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.461 -13.122 -10.401 1.00 0.00 H new ATOM 741 N ALA A 77 6.004 -12.472 -10.008 1.00 0.00 N ATOM 742 CA ALA A 77 4.544 -12.206 -10.147 1.00 0.00 C ATOM 743 C ALA A 77 4.062 -10.937 -9.409 1.00 0.00 C ATOM 744 O ALA A 77 3.402 -10.081 -9.991 1.00 0.00 O ATOM 745 CB ALA A 77 3.769 -13.435 -9.663 1.00 0.00 C ATOM 0 H ALA A 77 6.217 -13.376 -9.586 1.00 0.00 H new ATOM 0 HA ALA A 77 4.352 -12.016 -11.203 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.699 -13.252 -9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.045 -14.300 -10.266 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.011 -13.629 -8.618 1.00 0.00 H new ATOM 747 N MET A 78 4.615 -10.742 -8.218 1.00 0.00 N ATOM 748 CA MET A 78 4.321 -9.618 -7.309 1.00 0.00 C ATOM 749 C MET A 78 4.886 -8.268 -7.788 1.00 0.00 C ATOM 750 O MET A 78 4.333 -7.219 -7.464 1.00 0.00 O ATOM 751 CB MET A 78 4.847 -9.952 -5.910 1.00 0.00 C ATOM 752 CG MET A 78 4.051 -11.112 -5.292 1.00 0.00 C ATOM 753 SD MET A 78 4.847 -11.890 -3.834 1.00 0.00 S ATOM 754 CE MET A 78 4.921 -10.529 -2.694 1.00 0.00 C ATOM 0 H MET A 78 5.310 -11.383 -7.835 1.00 0.00 H new ATOM 0 HA MET A 78 3.238 -9.495 -7.293 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.902 -10.219 -5.967 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.775 -9.073 -5.270 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.067 -10.746 -5.000 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.894 -11.875 -6.054 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.958 -10.216 -2.567 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.336 -9.696 -3.083 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.515 -10.839 -1.731 1.00 0.00 H new ATOM 756 N SER A 79 5.921 -8.311 -8.620 1.00 0.00 N ATOM 757 CA SER A 79 6.596 -7.143 -9.222 1.00 0.00 C ATOM 758 C SER A 79 5.659 -6.126 -9.910 1.00 0.00 C ATOM 759 O SER A 79 6.050 -4.997 -10.158 1.00 0.00 O ATOM 760 CB SER A 79 7.621 -7.629 -10.242 1.00 0.00 C ATOM 761 OG SER A 79 8.538 -8.513 -9.604 1.00 0.00 O ATOM 0 H SER A 79 6.338 -9.195 -8.913 1.00 0.00 H new ATOM 0 HA SER A 79 7.057 -6.612 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.119 -8.139 -11.064 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.154 -6.781 -10.671 1.00 0.00 H new ATOM 0 HG SER A 79 9.222 -7.992 -9.134 1.00 0.00 H new ATOM 764 N ALA A 80 4.506 -6.629 -10.362 1.00 0.00 N ATOM 765 CA ALA A 80 3.453 -5.830 -11.030 1.00 0.00 C ATOM 766 C ALA A 80 2.369 -5.253 -10.093 1.00 0.00 C ATOM 767 O ALA A 80 1.568 -4.420 -10.514 1.00 0.00 O ATOM 768 CB ALA A 80 2.802 -6.725 -12.093 1.00 0.00 C ATOM 0 H ALA A 80 4.267 -7.617 -10.277 1.00 0.00 H new ATOM 0 HA ALA A 80 3.939 -4.953 -11.457 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.019 -6.168 -12.607 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.556 -7.041 -12.814 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.368 -7.603 -11.614 1.00 0.00 H new ATOM 770 N LEU A 81 2.385 -5.641 -8.818 1.00 0.00 N ATOM 771 CA LEU A 81 1.387 -5.195 -7.821 1.00 0.00 C ATOM 772 C LEU A 81 1.750 -3.819 -7.221 1.00 0.00 C ATOM 773 O LEU A 81 2.781 -3.693 -6.560 1.00 0.00 O ATOM 774 CB LEU A 81 1.208 -6.234 -6.707 1.00 0.00 C ATOM 775 CG LEU A 81 0.875 -7.642 -7.239 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.864 -8.633 -6.082 1.00 0.00 C ATOM 777 CD2 LEU A 81 -0.442 -7.698 -8.015 1.00 0.00 C ATOM 0 H LEU A 81 3.088 -6.275 -8.437 1.00 0.00 H new ATOM 0 HA LEU A 81 0.439 -5.090 -8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.121 -6.283 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.411 -5.907 -6.039 1.00 0.00 H new ATOM 0 HG LEU A 81 1.654 -7.912 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.629 -9.629 -6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.844 -8.647 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.111 -8.333 -5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.617 -8.716 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.261 -7.390 -7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.388 -7.027 -8.872 1.00 0.00 H new ATOM 779 N PRO A 82 0.876 -2.814 -7.395 1.00 0.00 N ATOM 780 CA PRO A 82 1.084 -1.438 -6.886 1.00 0.00 C ATOM 781 C PRO A 82 1.377 -1.343 -5.385 1.00 0.00 C ATOM 782 O PRO A 82 0.683 -1.920 -4.548 1.00 0.00 O ATOM 783 CB PRO A 82 -0.170 -0.655 -7.253 1.00 0.00 C ATOM 784 CG PRO A 82 -1.207 -1.711 -7.590 1.00 0.00 C ATOM 785 CD PRO A 82 -0.402 -2.892 -8.124 1.00 0.00 C ATOM 0 HA PRO A 82 1.983 -1.028 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.500 -0.028 -6.425 1.00 0.00 H new ATOM 0 HB3 PRO A 82 0.011 0.005 -8.101 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.785 -1.992 -6.710 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.915 -1.346 -8.334 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.910 -3.838 -7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.252 -2.818 -9.201 1.00 0.00 H new ATOM 786 N VAL A 83 2.330 -0.464 -5.112 1.00 0.00 N ATOM 787 CA VAL A 83 2.837 -0.189 -3.756 1.00 0.00 C ATOM 788 C VAL A 83 2.633 1.296 -3.366 1.00 0.00 C ATOM 789 O VAL A 83 3.272 2.198 -3.908 1.00 0.00 O ATOM 790 CB VAL A 83 4.323 -0.567 -3.638 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.760 -0.542 -2.175 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.646 -1.982 -4.142 1.00 0.00 C ATOM 0 H VAL A 83 2.788 0.094 -5.833 1.00 0.00 H new ATOM 0 HA VAL A 83 2.263 -0.805 -3.064 1.00 0.00 H new ATOM 0 HB VAL A 83 4.845 0.166 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.814 -0.811 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.614 0.459 -1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.165 -1.256 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.713 -2.175 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.080 -2.712 -3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.375 -2.064 -5.194 1.00 0.00 H new ATOM 794 N LEU A 84 1.784 1.478 -2.364 1.00 0.00 N ATOM 795 CA LEU A 84 1.446 2.796 -1.803 1.00 0.00 C ATOM 796 C LEU A 84 2.119 2.953 -0.428 1.00 0.00 C ATOM 797 O LEU A 84 1.855 2.197 0.505 1.00 0.00 O ATOM 798 CB LEU A 84 -0.075 2.941 -1.674 1.00 0.00 C ATOM 799 CG LEU A 84 -0.505 4.335 -1.186 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.287 5.392 -2.273 1.00 0.00 C ATOM 801 CD2 LEU A 84 -1.983 4.326 -0.810 1.00 0.00 C ATOM 0 H LEU A 84 1.299 0.707 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 84 1.809 3.578 -2.470 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.537 2.742 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.449 2.188 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 84 0.105 4.582 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.600 6.367 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.769 5.427 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.875 5.135 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.277 5.318 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.578 4.053 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.151 3.601 -0.014 1.00 0.00 H new ATOM 803 N MET A 85 3.101 3.837 -0.404 1.00 0.00 N ATOM 804 CA MET A 85 3.904 4.162 0.807 1.00 0.00 C ATOM 805 C MET A 85 3.224 5.144 1.754 1.00 0.00 C ATOM 806 O MET A 85 3.048 6.319 1.457 1.00 0.00 O ATOM 807 CB MET A 85 5.280 4.637 0.340 1.00 0.00 C ATOM 808 CG MET A 85 6.160 3.500 -0.187 1.00 0.00 C ATOM 809 SD MET A 85 6.791 2.404 1.138 1.00 0.00 S ATOM 810 CE MET A 85 5.832 0.932 0.835 1.00 0.00 C ATOM 0 H MET A 85 3.383 4.368 -1.228 1.00 0.00 H new ATOM 0 HA MET A 85 4.008 3.263 1.414 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.153 5.384 -0.444 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.789 5.128 1.169 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.587 2.906 -0.899 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.004 3.924 -0.731 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.896 0.272 1.700 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.791 1.205 0.663 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.222 0.418 -0.043 1.00 0.00 H new ATOM 812 N VAL A 86 2.864 4.628 2.920 1.00 0.00 N ATOM 813 CA VAL A 86 2.212 5.466 3.956 1.00 0.00 C ATOM 814 C VAL A 86 3.320 5.979 4.875 1.00 0.00 C ATOM 815 O VAL A 86 3.814 5.289 5.771 1.00 0.00 O ATOM 816 CB VAL A 86 1.121 4.766 4.763 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.210 5.854 5.342 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.231 3.828 3.941 1.00 0.00 C ATOM 0 H VAL A 86 3.002 3.653 3.184 1.00 0.00 H new ATOM 0 HA VAL A 86 1.684 6.273 3.449 1.00 0.00 H new ATOM 0 HB VAL A 86 1.625 4.158 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.584 5.390 5.927 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.794 6.515 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.229 6.432 4.529 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.516 3.373 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.269 4.396 3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.844 3.047 3.490 1.00 0.00 H new ATOM 820 N THR A 87 3.643 7.238 4.645 1.00 0.00 N ATOM 821 CA THR A 87 4.730 7.945 5.353 1.00 0.00 C ATOM 822 C THR A 87 4.237 9.028 6.317 1.00 0.00 C ATOM 823 O THR A 87 3.327 9.797 6.002 1.00 0.00 O ATOM 824 CB THR A 87 5.819 8.430 4.360 1.00 0.00 C ATOM 825 OG1 THR A 87 6.711 9.371 4.989 1.00 0.00 O ATOM 826 CG2 THR A 87 5.298 8.914 3.001 1.00 0.00 C ATOM 0 H THR A 87 3.162 7.817 3.957 1.00 0.00 H new ATOM 0 HA THR A 87 5.208 7.218 6.010 1.00 0.00 H new ATOM 0 HB THR A 87 6.393 7.540 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.417 10.284 4.789 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.137 9.231 2.382 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.767 8.102 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.619 9.754 3.150 1.00 0.00 H new ATOM 829 N ALA A 88 4.897 9.055 7.471 1.00 0.00 N ATOM 830 CA ALA A 88 4.637 9.987 8.597 1.00 0.00 C ATOM 831 C ALA A 88 4.508 11.475 8.214 1.00 0.00 C ATOM 832 O ALA A 88 3.917 12.269 8.937 1.00 0.00 O ATOM 833 CB ALA A 88 5.732 9.811 9.661 1.00 0.00 C ATOM 0 H ALA A 88 5.660 8.408 7.669 1.00 0.00 H new ATOM 0 HA ALA A 88 3.654 9.715 8.982 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.546 10.493 10.491 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.723 8.784 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.705 10.031 9.222 1.00 0.00 H new ATOM 835 N GLU A 89 5.242 11.835 7.169 1.00 0.00 N ATOM 836 CA GLU A 89 5.273 13.192 6.587 1.00 0.00 C ATOM 837 C GLU A 89 5.847 13.105 5.163 1.00 0.00 C ATOM 838 O GLU A 89 6.485 12.113 4.802 1.00 0.00 O ATOM 839 CB GLU A 89 6.135 14.101 7.481 1.00 0.00 C ATOM 840 CG GLU A 89 6.147 15.587 7.102 1.00 0.00 C ATOM 841 CD GLU A 89 4.745 16.204 7.058 1.00 0.00 C ATOM 842 OE1 GLU A 89 4.152 16.159 5.953 1.00 0.00 O ATOM 843 OE2 GLU A 89 4.310 16.729 8.109 1.00 0.00 O ATOM 0 H GLU A 89 5.853 11.180 6.681 1.00 0.00 H new ATOM 0 HA GLU A 89 4.270 13.615 6.533 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.782 14.010 8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.160 13.732 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.757 16.135 7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.620 15.704 6.127 1.00 0.00 H new ATOM 845 N ALA A 90 5.443 14.057 4.316 1.00 0.00 N ATOM 846 CA ALA A 90 5.971 14.155 2.944 1.00 0.00 C ATOM 847 C ALA A 90 7.373 14.785 3.030 1.00 0.00 C ATOM 848 O ALA A 90 7.561 15.991 3.130 1.00 0.00 O ATOM 849 CB ALA A 90 5.042 14.965 2.041 1.00 0.00 C ATOM 0 H ALA A 90 4.754 14.771 4.552 1.00 0.00 H new ATOM 0 HA ALA A 90 6.034 13.164 2.494 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.464 15.016 1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.065 14.484 2.000 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.934 15.973 2.441 1.00 0.00 H new ATOM 851 N LYS A 91 8.294 13.876 3.333 1.00 0.00 N ATOM 852 CA LYS A 91 9.722 14.166 3.513 1.00 0.00 C ATOM 853 C LYS A 91 10.460 13.759 2.239 1.00 0.00 C ATOM 854 O LYS A 91 10.391 12.606 1.812 1.00 0.00 O ATOM 855 CB LYS A 91 10.203 13.364 4.723 1.00 0.00 C ATOM 856 CG LYS A 91 11.666 13.655 5.069 1.00 0.00 C ATOM 857 CD LYS A 91 12.133 12.728 6.194 1.00 0.00 C ATOM 858 CE LYS A 91 13.637 12.895 6.438 1.00 0.00 C ATOM 859 NZ LYS A 91 14.053 11.921 7.456 1.00 0.00 N ATOM 0 H LYS A 91 8.067 12.890 3.465 1.00 0.00 H new ATOM 0 HA LYS A 91 9.909 15.225 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.575 13.597 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.085 12.299 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.292 13.514 4.188 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.776 14.695 5.375 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.583 12.951 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.914 11.692 5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.191 12.737 5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.857 13.909 6.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.073 12.020 7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.529 12.094 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.853 10.958 7.118 1.00 0.00 H new ATOM 864 N LYS A 92 11.124 14.748 1.656 1.00 0.00 N ATOM 865 CA LYS A 92 11.925 14.611 0.416 1.00 0.00 C ATOM 866 C LYS A 92 12.711 13.290 0.324 1.00 0.00 C ATOM 867 O LYS A 92 12.408 12.493 -0.559 1.00 0.00 O ATOM 868 CB LYS A 92 12.840 15.831 0.314 1.00 0.00 C ATOM 869 CG LYS A 92 13.296 16.088 -1.127 1.00 0.00 C ATOM 870 CD LYS A 92 14.078 17.406 -1.260 1.00 0.00 C ATOM 871 CE LYS A 92 13.212 18.630 -0.972 1.00 0.00 C ATOM 872 NZ LYS A 92 14.005 19.859 -1.138 1.00 0.00 N ATOM 0 H LYS A 92 11.130 15.697 2.030 1.00 0.00 H new ATOM 0 HA LYS A 92 11.244 14.572 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.316 16.710 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.713 15.684 0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.921 15.260 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.426 16.116 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.924 17.394 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.486 17.483 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.356 18.646 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.818 18.576 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.408 20.687 -0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.808 19.846 -0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.360 19.914 -2.114 1.00 0.00 H new ATOM 877 N GLU A 93 13.502 12.975 1.352 1.00 0.00 N ATOM 878 CA GLU A 93 14.298 11.722 1.411 1.00 0.00 C ATOM 879 C GLU A 93 13.409 10.486 1.176 1.00 0.00 C ATOM 880 O GLU A 93 13.674 9.716 0.258 1.00 0.00 O ATOM 881 CB GLU A 93 15.037 11.642 2.753 1.00 0.00 C ATOM 882 CG GLU A 93 16.156 10.583 2.800 1.00 0.00 C ATOM 883 CD GLU A 93 15.662 9.139 2.763 1.00 0.00 C ATOM 884 OE1 GLU A 93 14.786 8.801 3.595 1.00 0.00 O ATOM 885 OE2 GLU A 93 16.180 8.392 1.903 1.00 0.00 O ATOM 0 H GLU A 93 13.617 13.572 2.171 1.00 0.00 H new ATOM 0 HA GLU A 93 15.038 11.735 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 93 15.467 12.618 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 93 14.314 11.425 3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.828 10.745 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.741 10.731 3.708 1.00 0.00 H new ATOM 887 N ASN A 94 12.333 10.381 1.959 1.00 0.00 N ATOM 888 CA ASN A 94 11.343 9.280 1.862 1.00 0.00 C ATOM 889 C ASN A 94 10.737 9.179 0.454 1.00 0.00 C ATOM 890 O ASN A 94 10.843 8.134 -0.191 1.00 0.00 O ATOM 891 CB ASN A 94 10.216 9.456 2.882 1.00 0.00 C ATOM 892 CG ASN A 94 10.661 9.329 4.346 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.712 9.785 4.767 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.757 8.874 5.187 1.00 0.00 N ATOM 0 H ASN A 94 12.113 11.059 2.689 1.00 0.00 H new ATOM 0 HA ASN A 94 11.883 8.358 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.761 10.436 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.444 8.713 2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.934 8.902 6.191 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.879 8.493 4.835 1.00 0.00 H new ATOM 898 N ILE A 95 10.287 10.321 -0.057 1.00 0.00 N ATOM 899 CA ILE A 95 9.675 10.448 -1.400 1.00 0.00 C ATOM 900 C ILE A 95 10.599 9.910 -2.507 1.00 0.00 C ATOM 901 O ILE A 95 10.224 8.978 -3.227 1.00 0.00 O ATOM 902 CB ILE A 95 9.282 11.934 -1.609 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.202 12.349 -0.591 1.00 0.00 C ATOM 904 CG2 ILE A 95 8.849 12.258 -3.050 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.025 13.863 -0.444 1.00 0.00 C ATOM 0 H ILE A 95 10.332 11.206 0.449 1.00 0.00 H new ATOM 0 HA ILE A 95 8.778 9.831 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 95 10.182 12.524 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.250 11.911 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.455 11.928 0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.589 13.314 -3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.669 12.038 -3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.983 11.652 -3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.247 14.069 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.963 14.309 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.739 14.291 -1.405 1.00 0.00 H new ATOM 907 N ILE A 96 11.842 10.394 -2.507 1.00 0.00 N ATOM 908 CA ILE A 96 12.876 9.993 -3.484 1.00 0.00 C ATOM 909 C ILE A 96 13.128 8.480 -3.421 1.00 0.00 C ATOM 910 O ILE A 96 12.819 7.772 -4.381 1.00 0.00 O ATOM 911 CB ILE A 96 14.173 10.813 -3.274 1.00 0.00 C ATOM 912 CG1 ILE A 96 13.953 12.338 -3.242 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.266 10.464 -4.299 1.00 0.00 C ATOM 914 CD1 ILE A 96 13.192 12.962 -4.421 1.00 0.00 C ATOM 0 H ILE A 96 12.170 11.081 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 96 12.514 10.215 -4.488 1.00 0.00 H new ATOM 0 HB ILE A 96 14.515 10.517 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.416 12.583 -2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 96 14.929 12.819 -3.177 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.153 11.068 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.521 9.408 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.900 10.669 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 96 13.108 14.038 -4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 96 13.732 12.765 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.195 12.526 -4.482 1.00 0.00 H new ATOM 916 N ALA A 97 13.446 7.990 -2.222 1.00 0.00 N ATOM 917 CA ALA A 97 13.712 6.559 -1.952 1.00 0.00 C ATOM 918 C ALA A 97 12.576 5.630 -2.423 1.00 0.00 C ATOM 919 O ALA A 97 12.804 4.706 -3.213 1.00 0.00 O ATOM 920 CB ALA A 97 13.967 6.374 -0.448 1.00 0.00 C ATOM 0 H ALA A 97 13.530 8.578 -1.392 1.00 0.00 H new ATOM 0 HA ALA A 97 14.593 6.273 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.164 5.323 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.828 6.971 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.090 6.697 0.112 1.00 0.00 H new ATOM 922 N ALA A 98 11.349 6.016 -2.079 1.00 0.00 N ATOM 923 CA ALA A 98 10.111 5.288 -2.437 1.00 0.00 C ATOM 924 C ALA A 98 9.964 5.105 -3.959 1.00 0.00 C ATOM 925 O ALA A 98 9.912 3.975 -4.450 1.00 0.00 O ATOM 926 CB ALA A 98 8.913 6.046 -1.846 1.00 0.00 C ATOM 0 H ALA A 98 11.173 6.859 -1.533 1.00 0.00 H new ATOM 0 HA ALA A 98 10.156 4.283 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.991 5.524 -2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.014 6.098 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.883 7.055 -2.256 1.00 0.00 H new ATOM 928 N ALA A 99 10.088 6.222 -4.684 1.00 0.00 N ATOM 929 CA ALA A 99 9.999 6.239 -6.161 1.00 0.00 C ATOM 930 C ALA A 99 11.089 5.381 -6.820 1.00 0.00 C ATOM 931 O ALA A 99 10.771 4.421 -7.528 1.00 0.00 O ATOM 932 CB ALA A 99 10.083 7.691 -6.644 1.00 0.00 C ATOM 0 H ALA A 99 10.252 7.140 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 99 9.044 5.802 -6.455 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.019 7.717 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.260 8.264 -6.218 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.031 8.126 -6.326 1.00 0.00 H new ATOM 934 N GLN A 100 12.323 5.569 -6.364 1.00 0.00 N ATOM 935 CA GLN A 100 13.529 4.852 -6.856 1.00 0.00 C ATOM 936 C GLN A 100 13.413 3.321 -6.762 1.00 0.00 C ATOM 937 O GLN A 100 13.851 2.612 -7.671 1.00 0.00 O ATOM 938 CB GLN A 100 14.767 5.280 -6.060 1.00 0.00 C ATOM 939 CG GLN A 100 15.164 6.745 -6.283 1.00 0.00 C ATOM 940 CD GLN A 100 16.360 7.116 -5.405 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.259 7.438 -4.232 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.549 7.086 -5.978 1.00 0.00 N ATOM 0 H GLN A 100 12.534 6.238 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 100 13.620 5.122 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.579 5.121 -4.998 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.605 4.639 -6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.412 6.905 -7.332 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.320 7.396 -6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.636 6.817 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.380 7.332 -5.441 1.00 0.00 H new ATOM 946 N ALA A 101 12.835 2.843 -5.658 1.00 0.00 N ATOM 947 CA ALA A 101 12.640 1.412 -5.373 1.00 0.00 C ATOM 948 C ALA A 101 11.470 0.703 -6.088 1.00 0.00 C ATOM 949 O ALA A 101 11.438 -0.526 -6.104 1.00 0.00 O ATOM 950 CB ALA A 101 12.528 1.235 -3.852 1.00 0.00 C ATOM 0 H ALA A 101 12.480 3.450 -4.919 1.00 0.00 H new ATOM 0 HA ALA A 101 13.515 0.914 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.383 0.180 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.442 1.590 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.679 1.809 -3.480 1.00 0.00 H new ATOM 952 N GLY A 102 10.544 1.475 -6.675 1.00 0.00 N ATOM 953 CA GLY A 102 9.370 0.902 -7.375 1.00 0.00 C ATOM 954 C GLY A 102 7.989 1.303 -6.827 1.00 0.00 C ATOM 955 O GLY A 102 6.978 0.837 -7.363 1.00 0.00 O ATOM 0 H GLY A 102 10.579 2.494 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.420 1.194 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.449 -0.185 -7.343 1.00 0.00 H new ATOM 957 N ALA A 103 7.917 2.171 -5.820 1.00 0.00 N ATOM 958 CA ALA A 103 6.623 2.605 -5.235 1.00 0.00 C ATOM 959 C ALA A 103 5.767 3.403 -6.236 1.00 0.00 C ATOM 960 O ALA A 103 6.142 4.477 -6.699 1.00 0.00 O ATOM 961 CB ALA A 103 6.801 3.443 -3.969 1.00 0.00 C ATOM 0 H ALA A 103 8.734 2.596 -5.382 1.00 0.00 H new ATOM 0 HA ALA A 103 6.107 1.680 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.823 3.733 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.328 2.857 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.379 4.337 -4.203 1.00 0.00 H new ATOM 963 N SER A 104 4.563 2.872 -6.435 1.00 0.00 N ATOM 964 CA SER A 104 3.565 3.465 -7.364 1.00 0.00 C ATOM 965 C SER A 104 2.966 4.805 -6.883 1.00 0.00 C ATOM 966 O SER A 104 2.226 5.446 -7.621 1.00 0.00 O ATOM 967 CB SER A 104 2.454 2.468 -7.671 1.00 0.00 C ATOM 968 OG SER A 104 1.790 2.084 -6.459 1.00 0.00 O ATOM 0 H SER A 104 4.239 2.025 -5.968 1.00 0.00 H new ATOM 0 HA SER A 104 4.117 3.695 -8.275 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.738 2.911 -8.363 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.869 1.588 -8.162 1.00 0.00 H new ATOM 0 HG SER A 104 2.349 2.323 -5.690 1.00 0.00 H new ATOM 971 N GLY A 105 3.118 5.079 -5.583 1.00 0.00 N ATOM 972 CA GLY A 105 2.629 6.317 -4.934 1.00 0.00 C ATOM 973 C GLY A 105 2.922 6.326 -3.427 1.00 0.00 C ATOM 974 O GLY A 105 3.403 5.340 -2.865 1.00 0.00 O ATOM 0 H GLY A 105 3.589 4.445 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.100 7.182 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.555 6.412 -5.096 1.00 0.00 H new ATOM 976 N TYR A 106 2.632 7.467 -2.804 1.00 0.00 N ATOM 977 CA TYR A 106 2.811 7.662 -1.360 1.00 0.00 C ATOM 978 C TYR A 106 1.722 8.551 -0.752 1.00 0.00 C ATOM 979 O TYR A 106 1.372 9.583 -1.325 1.00 0.00 O ATOM 980 CB TYR A 106 4.212 8.202 -0.993 1.00 0.00 C ATOM 981 CG TYR A 106 4.528 9.626 -1.466 1.00 0.00 C ATOM 982 CD1 TYR A 106 5.047 9.793 -2.765 1.00 0.00 C ATOM 983 CD2 TYR A 106 4.253 10.735 -0.624 1.00 0.00 C ATOM 984 CE1 TYR A 106 5.273 11.097 -3.248 1.00 0.00 C ATOM 985 CE2 TYR A 106 4.467 12.036 -1.113 1.00 0.00 C ATOM 986 CZ TYR A 106 4.967 12.193 -2.419 1.00 0.00 C ATOM 987 OH TYR A 106 5.150 13.452 -2.892 1.00 0.00 O ATOM 0 H TYR A 106 2.265 8.288 -3.286 1.00 0.00 H new ATOM 0 HA TYR A 106 2.719 6.667 -0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.320 8.168 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.960 7.528 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.268 8.934 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 106 3.884 10.582 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.675 11.253 -4.238 1.00 0.00 H new ATOM 0 HE2 TYR A 106 4.252 12.898 -0.498 1.00 0.00 H new ATOM 0 HH TYR A 106 4.893 14.101 -2.204 1.00 0.00 H new ATOM 990 N VAL A 107 1.227 8.131 0.406 1.00 0.00 N ATOM 991 CA VAL A 107 0.201 8.883 1.143 1.00 0.00 C ATOM 992 C VAL A 107 0.738 9.319 2.515 1.00 0.00 C ATOM 993 O VAL A 107 1.441 8.576 3.210 1.00 0.00 O ATOM 994 CB VAL A 107 -1.169 8.170 1.125 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.373 7.136 2.237 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.291 9.213 1.193 1.00 0.00 C ATOM 0 H VAL A 107 1.518 7.267 0.864 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.017 9.818 0.627 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.196 7.611 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.363 6.690 2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.614 6.358 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.287 7.624 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.257 8.709 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.195 9.791 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.219 9.881 0.335 1.00 0.00 H new ATOM 998 N VAL A 108 0.598 10.615 2.715 1.00 0.00 N ATOM 999 CA VAL A 108 1.057 11.314 3.936 1.00 0.00 C ATOM 1000 C VAL A 108 0.051 11.140 5.090 1.00 0.00 C ATOM 1001 O VAL A 108 -1.063 11.645 5.022 1.00 0.00 O ATOM 1002 CB VAL A 108 1.255 12.820 3.626 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.885 13.566 4.800 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.120 13.046 2.378 1.00 0.00 C ATOM 0 H VAL A 108 0.158 11.235 2.035 1.00 0.00 H new ATOM 0 HA VAL A 108 2.005 10.876 4.249 1.00 0.00 H new ATOM 0 HB VAL A 108 0.256 13.215 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.006 14.618 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.240 13.480 5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.860 13.133 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.231 14.116 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.103 12.600 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.642 12.583 1.515 1.00 0.00 H new ATOM 1006 N LYS A 109 0.499 10.447 6.135 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.327 10.228 7.333 1.00 0.00 C ATOM 1008 C LYS A 109 -0.104 11.354 8.358 1.00 0.00 C ATOM 1009 O LYS A 109 1.057 11.716 8.570 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.149 8.810 7.920 1.00 0.00 C ATOM 1011 CG LYS A 109 1.275 8.410 8.297 1.00 0.00 C ATOM 1012 CD LYS A 109 1.298 6.973 8.832 1.00 0.00 C ATOM 1013 CE LYS A 109 2.713 6.470 9.121 1.00 0.00 C ATOM 1014 NZ LYS A 109 3.303 7.175 10.261 1.00 0.00 N ATOM 0 H LYS A 109 1.427 10.026 6.182 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.375 10.276 7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.775 8.726 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.527 8.089 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.926 8.492 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.665 9.093 9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.705 6.921 9.745 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.824 6.312 8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.687 5.400 9.326 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.339 6.610 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.324 6.979 10.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.150 8.198 10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.854 6.849 11.141 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.169 11.939 8.915 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.601 11.611 8.673 1.00 0.00 C ATOM 1021 C PRO A 110 -3.150 12.044 7.298 1.00 0.00 C ATOM 1022 O PRO A 110 -3.043 13.189 6.867 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.349 12.278 9.820 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.489 13.494 10.159 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.053 12.991 9.946 1.00 0.00 C ATOM 0 HA PRO A 110 -2.733 10.529 8.645 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.356 12.571 9.524 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.450 11.609 10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.718 14.340 9.511 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.650 13.825 11.185 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.397 13.797 9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.632 12.594 10.870 1.00 0.00 H new ATOM 1026 N PHE A 111 -3.838 11.078 6.699 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.476 11.208 5.376 1.00 0.00 C ATOM 1028 C PHE A 111 -5.977 10.859 5.513 1.00 0.00 C ATOM 1029 O PHE A 111 -6.365 10.024 6.319 1.00 0.00 O ATOM 1030 CB PHE A 111 -3.791 10.338 4.317 1.00 0.00 C ATOM 1031 CG PHE A 111 -3.883 8.841 4.566 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.018 8.231 5.499 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.820 8.082 3.831 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.124 6.844 5.728 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.895 6.692 4.032 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.061 6.086 4.994 1.00 0.00 C ATOM 0 H PHE A 111 -3.976 10.160 7.121 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.370 12.237 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.232 10.558 3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.739 10.619 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.284 8.819 6.031 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.474 8.565 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.492 6.364 6.461 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.585 6.094 3.455 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.141 5.024 5.172 1.00 0.00 H new ATOM 1038 N THR A 112 -6.763 11.468 4.632 1.00 0.00 N ATOM 1039 CA THR A 112 -8.233 11.272 4.582 1.00 0.00 C ATOM 1040 C THR A 112 -8.599 10.327 3.425 1.00 0.00 C ATOM 1041 O THR A 112 -7.764 10.060 2.559 1.00 0.00 O ATOM 1042 CB THR A 112 -8.981 12.593 4.340 1.00 0.00 C ATOM 1043 OG1 THR A 112 -8.709 13.070 3.023 1.00 0.00 O ATOM 1044 CG2 THR A 112 -8.688 13.650 5.415 1.00 0.00 C ATOM 0 H THR A 112 -6.412 12.115 3.926 1.00 0.00 H new ATOM 0 HA THR A 112 -8.526 10.857 5.546 1.00 0.00 H new ATOM 0 HB THR A 112 -10.049 12.392 4.421 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.745 13.213 2.919 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.244 14.561 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 112 -8.991 13.270 6.391 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.621 13.870 5.427 1.00 0.00 H new ATOM 1047 N ALA A 113 -9.866 9.929 3.372 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.396 9.088 2.280 1.00 0.00 C ATOM 1049 C ALA A 113 -10.125 9.724 0.895 1.00 0.00 C ATOM 1050 O ALA A 113 -9.554 9.065 0.021 1.00 0.00 O ATOM 1051 CB ALA A 113 -11.900 8.855 2.472 1.00 0.00 C ATOM 0 H ALA A 113 -10.560 10.174 4.078 1.00 0.00 H new ATOM 0 HA ALA A 113 -9.879 8.129 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.278 8.234 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.072 8.353 3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.420 9.813 2.468 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.276 11.045 0.821 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.031 11.846 -0.394 1.00 0.00 C ATOM 1055 C ALA A 114 -8.539 11.859 -0.786 1.00 0.00 C ATOM 1056 O ALA A 114 -8.197 11.586 -1.937 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.536 13.270 -0.167 1.00 0.00 C ATOM 0 H ALA A 114 -10.578 11.607 1.616 1.00 0.00 H new ATOM 0 HA ALA A 114 -10.573 11.388 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.357 13.866 -1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.605 13.247 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.007 13.714 0.676 1.00 0.00 H new ATOM 1059 N THR A 115 -7.672 12.048 0.212 1.00 0.00 N ATOM 1060 CA THR A 115 -6.196 12.054 0.029 1.00 0.00 C ATOM 1061 C THR A 115 -5.757 10.678 -0.537 1.00 0.00 C ATOM 1062 O THR A 115 -5.140 10.606 -1.600 1.00 0.00 O ATOM 1063 CB THR A 115 -5.464 12.300 1.358 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.145 13.310 2.127 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.020 12.742 1.116 1.00 0.00 C ATOM 0 H THR A 115 -7.963 12.203 1.177 1.00 0.00 H new ATOM 0 HA THR A 115 -5.939 12.860 -0.658 1.00 0.00 H new ATOM 0 HB THR A 115 -5.459 11.361 1.911 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.589 13.570 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.525 12.909 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.490 11.966 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.014 13.666 0.538 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.247 9.629 0.124 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.022 8.213 -0.236 1.00 0.00 C ATOM 1070 C LEU A 116 -6.478 7.966 -1.697 1.00 0.00 C ATOM 1071 O LEU A 116 -5.659 7.609 -2.541 1.00 0.00 O ATOM 1072 CB LEU A 116 -6.793 7.346 0.757 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.658 5.834 0.543 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.217 5.337 0.674 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.543 5.117 1.562 1.00 0.00 C ATOM 0 H LEU A 116 -6.832 9.736 0.953 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.964 7.956 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.454 7.586 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.849 7.612 0.704 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.972 5.614 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.188 4.260 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.592 5.833 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.843 5.564 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.458 4.039 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.223 5.379 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.580 5.421 1.420 1.00 0.00 H new ATOM 1077 N GLU A 117 -7.698 8.396 -1.998 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.319 8.270 -3.329 1.00 0.00 C ATOM 1079 C GLU A 117 -7.474 8.917 -4.434 1.00 0.00 C ATOM 1080 O GLU A 117 -7.188 8.268 -5.434 1.00 0.00 O ATOM 1081 CB GLU A 117 -9.719 8.883 -3.360 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.507 8.376 -4.573 1.00 0.00 C ATOM 1083 CD GLU A 117 -11.684 9.285 -4.904 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -12.674 9.233 -4.144 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -11.565 10.041 -5.900 1.00 0.00 O ATOM 0 H GLU A 117 -8.303 8.853 -1.315 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.385 7.199 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.252 8.631 -2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -9.645 9.970 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.844 8.311 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.871 7.368 -4.374 1.00 0.00 H new ATOM 1087 N GLU A 118 -6.995 10.146 -4.201 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.158 10.866 -5.188 1.00 0.00 C ATOM 1089 C GLU A 118 -4.933 10.059 -5.663 1.00 0.00 C ATOM 1090 O GLU A 118 -4.743 9.863 -6.862 1.00 0.00 O ATOM 1091 CB GLU A 118 -5.721 12.235 -4.640 1.00 0.00 C ATOM 1092 CG GLU A 118 -6.884 13.235 -4.584 1.00 0.00 C ATOM 1093 CD GLU A 118 -7.432 13.570 -5.971 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -6.826 14.450 -6.618 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -8.435 12.942 -6.367 1.00 0.00 O ATOM 0 H GLU A 118 -7.169 10.667 -3.342 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.788 11.013 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -5.305 12.108 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.927 12.639 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -7.685 12.823 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.549 14.151 -4.098 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.266 9.433 -4.691 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.092 8.564 -4.929 1.00 0.00 C ATOM 1099 C LYS A 119 -3.504 7.312 -5.717 1.00 0.00 C ATOM 1100 O LYS A 119 -2.962 7.048 -6.790 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.440 8.189 -3.594 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.062 9.404 -2.736 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.021 10.303 -3.404 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.909 11.638 -2.673 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.169 12.429 -3.289 1.00 0.00 N ATOM 0 H LYS A 119 -4.521 9.510 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.360 9.108 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.124 7.554 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.545 7.599 -3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.958 9.988 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.675 9.059 -1.777 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.052 9.804 -3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.296 10.475 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.853 12.179 -2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.699 11.473 -1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.254 13.342 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.067 11.910 -3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -0.051 12.595 -4.292 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.580 6.666 -5.255 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.166 5.462 -5.879 1.00 0.00 C ATOM 1112 C LEU A 120 -5.543 5.716 -7.357 1.00 0.00 C ATOM 1113 O LEU A 120 -5.095 4.998 -8.248 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.424 5.020 -5.119 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.168 4.538 -3.690 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.498 4.444 -2.947 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.446 3.193 -3.651 1.00 0.00 C ATOM 0 H LEU A 120 -5.082 6.967 -4.420 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.410 4.678 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.125 5.854 -5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -6.907 4.219 -5.678 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.515 5.262 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.322 4.101 -1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -7.971 5.426 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.152 3.738 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.288 2.895 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.051 2.441 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.483 3.282 -4.154 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.250 6.823 -7.592 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.712 7.297 -8.918 1.00 0.00 C ATOM 1121 C ASN A 121 -5.573 7.323 -9.951 1.00 0.00 C ATOM 1122 O ASN A 121 -5.643 6.656 -10.981 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.296 8.705 -8.787 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.692 8.770 -8.144 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.194 7.858 -7.517 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.308 9.928 -8.239 1.00 0.00 N ATOM 0 H ASN A 121 -6.534 7.448 -6.837 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.472 6.598 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.611 9.313 -8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.347 9.155 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.211 10.064 -7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.882 10.690 -8.766 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.488 7.996 -9.580 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.267 8.141 -10.401 1.00 0.00 C ATOM 1132 C LYS A 122 -2.719 6.770 -10.844 1.00 0.00 C ATOM 1133 O LYS A 122 -2.573 6.505 -12.040 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.214 8.891 -9.571 1.00 0.00 C ATOM 1135 CG LYS A 122 -0.997 9.310 -10.404 1.00 0.00 C ATOM 1136 CD LYS A 122 0.158 9.848 -9.547 1.00 0.00 C ATOM 1137 CE LYS A 122 1.046 8.766 -8.928 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.389 8.083 -7.800 1.00 0.00 N ATOM 0 H LYS A 122 -4.421 8.471 -8.680 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.508 8.700 -11.305 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.669 9.777 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.885 8.256 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.646 8.454 -10.981 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.299 10.075 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.777 10.500 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.255 10.463 -8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.308 8.033 -9.691 1.00 0.00 H new ATOM 0 HE3 LYS A 122 1.978 9.216 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.096 7.856 -7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -0.338 8.705 -7.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -0.055 7.205 -8.137 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.656 5.843 -9.892 1.00 0.00 N ATOM 1144 CA ILE A 123 -2.169 4.466 -10.102 1.00 0.00 C ATOM 1145 C ILE A 123 -3.063 3.679 -11.083 1.00 0.00 C ATOM 1146 O ILE A 123 -2.557 3.050 -12.020 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.017 3.770 -8.729 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.001 4.569 -7.893 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.521 2.329 -8.876 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.034 4.324 -6.376 1.00 0.00 C ATOM 0 H ILE A 123 -2.946 6.023 -8.931 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.189 4.498 -10.578 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.993 3.739 -8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.000 4.338 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.168 5.631 -8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.427 1.874 -7.890 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.233 1.758 -9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.550 2.327 -9.370 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.276 4.940 -5.891 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.018 4.586 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.831 3.272 -6.173 1.00 0.00 H new ATOM 1152 N PHE A 124 -4.377 3.877 -10.962 1.00 0.00 N ATOM 1153 CA PHE A 124 -5.371 3.216 -11.837 1.00 0.00 C ATOM 1154 C PHE A 124 -5.243 3.550 -13.325 1.00 0.00 C ATOM 1155 O PHE A 124 -5.541 2.692 -14.158 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.803 3.450 -11.328 1.00 0.00 C ATOM 1157 CG PHE A 124 -7.072 2.793 -9.972 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -6.353 1.630 -9.583 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.893 3.471 -9.046 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.407 1.194 -8.242 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.952 3.026 -7.707 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.188 1.905 -7.315 1.00 0.00 C ATOM 0 H PHE A 124 -4.789 4.494 -10.262 1.00 0.00 H new ATOM 0 HA PHE A 124 -5.142 2.152 -11.772 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.983 4.522 -11.248 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -7.511 3.061 -12.060 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.769 1.084 -10.309 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.473 4.326 -9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.853 0.321 -7.931 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.576 3.538 -6.989 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.204 1.588 -6.283 1.00 0.00 H new ATOM 1164 N GLU A 125 -4.675 4.711 -13.626 1.00 0.00 N ATOM 1165 CA GLU A 125 -4.432 5.135 -15.027 1.00 0.00 C ATOM 1166 C GLU A 125 -3.546 4.084 -15.740 1.00 0.00 C ATOM 1167 O GLU A 125 -3.943 3.535 -16.767 1.00 0.00 O ATOM 1168 CB GLU A 125 -3.782 6.517 -15.058 1.00 0.00 C ATOM 1169 CG GLU A 125 -3.731 7.102 -16.477 1.00 0.00 C ATOM 1170 CD GLU A 125 -3.095 8.490 -16.481 1.00 0.00 C ATOM 1171 OE1 GLU A 125 -3.847 9.460 -16.254 1.00 0.00 O ATOM 1172 OE2 GLU A 125 -1.864 8.551 -16.709 1.00 0.00 O ATOM 0 H GLU A 125 -4.368 5.387 -12.927 1.00 0.00 H new ATOM 0 HA GLU A 125 -5.383 5.203 -15.555 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.338 7.193 -14.408 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -2.770 6.450 -14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -3.162 6.437 -17.127 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.740 7.161 -16.885 1.00 0.00 H new ATOM 1174 N LYS A 126 -2.503 3.654 -15.028 1.00 0.00 N ATOM 1175 CA LYS A 126 -1.546 2.614 -15.490 1.00 0.00 C ATOM 1176 C LYS A 126 -2.221 1.230 -15.574 1.00 0.00 C ATOM 1177 O LYS A 126 -2.072 0.526 -16.564 1.00 0.00 O ATOM 1178 CB LYS A 126 -0.350 2.530 -14.530 1.00 0.00 C ATOM 1179 CG LYS A 126 0.456 3.836 -14.454 1.00 0.00 C ATOM 1180 CD LYS A 126 1.726 3.691 -13.591 1.00 0.00 C ATOM 1181 CE LYS A 126 1.474 3.577 -12.087 1.00 0.00 C ATOM 1182 NZ LYS A 126 0.984 4.843 -11.535 1.00 0.00 N ATOM 0 H LYS A 126 -2.285 4.015 -14.099 1.00 0.00 H new ATOM 0 HA LYS A 126 -1.204 2.899 -16.485 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -0.709 2.273 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 126 0.308 1.722 -14.849 1.00 0.00 H new ATOM 0 HG2 LYS A 126 0.737 4.146 -15.461 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -0.173 4.625 -14.041 1.00 0.00 H new ATOM 0 HD2 LYS A 126 2.273 2.808 -13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 126 2.371 4.551 -13.772 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.746 2.788 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 126 2.396 3.289 -11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 0.838 4.742 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 1.683 5.593 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 0.083 5.095 -11.990 1.00 0.00 H new ATOM 1187 N LEU A 127 -3.130 0.983 -14.629 1.00 0.00 N ATOM 1188 CA LEU A 127 -3.907 -0.266 -14.486 1.00 0.00 C ATOM 1189 C LEU A 127 -5.198 -0.257 -15.330 1.00 0.00 C ATOM 1190 O LEU A 127 -6.313 -0.475 -14.839 1.00 0.00 O ATOM 1191 CB LEU A 127 -4.204 -0.505 -13.001 1.00 0.00 C ATOM 1192 CG LEU A 127 -2.945 -0.691 -12.148 1.00 0.00 C ATOM 1193 CD1 LEU A 127 -3.341 -0.690 -10.661 1.00 0.00 C ATOM 1194 CD2 LEU A 127 -2.197 -1.983 -12.494 1.00 0.00 C ATOM 0 H LEU A 127 -3.360 1.670 -13.910 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.308 -1.091 -14.871 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -4.775 0.338 -12.613 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.834 -1.389 -12.902 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.267 0.136 -12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.450 -0.822 -10.047 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.816 0.259 -10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.038 -1.506 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.312 -2.071 -11.864 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.851 -2.839 -12.324 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -1.896 -1.960 -13.541 1.00 0.00 H new ATOM 1196 N GLY A 128 -5.017 0.210 -16.566 1.00 0.00 N ATOM 1197 CA GLY A 128 -6.027 0.304 -17.639 1.00 0.00 C ATOM 1198 C GLY A 128 -7.277 1.189 -17.398 1.00 0.00 C ATOM 1199 O GLY A 128 -8.252 1.085 -18.138 1.00 0.00 O ATOM 0 H GLY A 128 -4.107 0.556 -16.871 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -5.527 0.672 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -6.373 -0.706 -17.859 1.00 0.00 H new ATOM 1201 N MET A 129 -7.218 2.050 -16.380 1.00 0.00 N ATOM 1202 CA MET A 129 -8.331 2.972 -16.042 1.00 0.00 C ATOM 1203 C MET A 129 -7.946 4.470 -16.186 1.00 0.00 C ATOM 1204 O MET A 129 -7.247 4.783 -17.172 1.00 0.00 O ATOM 1205 CB MET A 129 -8.854 2.632 -14.641 1.00 0.00 C ATOM 1206 CG MET A 129 -9.591 1.297 -14.596 1.00 0.00 C ATOM 1207 SD MET A 129 -10.186 0.844 -12.923 1.00 0.00 S ATOM 1208 CE MET A 129 -11.507 2.010 -12.673 1.00 0.00 C ATOM 1209 OXT MET A 129 -8.358 5.292 -15.332 1.00 0.00 O ATOM 0 H MET A 129 -6.409 2.136 -15.765 1.00 0.00 H new ATOM 0 HA MET A 129 -9.132 2.824 -16.766 1.00 0.00 H new ATOM 0 HB2 MET A 129 -8.018 2.605 -13.942 1.00 0.00 H new ATOM 0 HB3 MET A 129 -9.524 3.424 -14.306 1.00 0.00 H new ATOM 0 HG2 MET A 129 -10.442 1.338 -15.276 1.00 0.00 H new ATOM 0 HG3 MET A 129 -8.928 0.513 -14.961 1.00 0.00 H new ATOM 0 HE1 MET A 129 -12.014 1.790 -11.733 1.00 0.00 H new ATOM 0 HE2 MET A 129 -11.099 3.020 -12.637 1.00 0.00 H new ATOM 0 HE3 MET A 129 -12.219 1.935 -13.495 1.00 0.00 H new TER 1211 MET A 129