USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1051 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 116 THR OG1 : rot -137:sc= 2.04 USER MOD Set 1.2: A 121 LYS NZ :NH3+ -167:sc= 2.74 (180deg=0.537) USER MOD Set 2.1: A 107 ASN : amide:sc= 1.12 K(o=2.2,f=-1.8!) USER MOD Set 2.2: A 109 SER OG : rot 115:sc= 1.07 USER MOD Set 3.1: A 11 ASN : amide:sc= 0.0144 K(o=0.88,f=-15!) USER MOD Set 3.2: A 105 LYS NZ :NH3+ -176:sc= 0.867 (180deg=0) USER MOD Set 4.1: A 60 MET CE :methyl -167:sc= -0.551 (180deg=-0.828) USER MOD Set 4.2: A 92 SER OG : rot 160:sc= -0.704 USER MOD Set 5.1: A 85 ASN : amide:sc= -0.531 K(o=-2.5,f=-4.4) USER MOD Set 5.2: A 86 HIS : no HD1:sc= -2 X(o=-2.5,f=-2.3) USER MOD Set 6.1: A 40 SER OG : rot 84:sc= 1.91 USER MOD Set 6.2: A 132 SER OG : rot 18:sc= -0.117 USER MOD Set 7.1: A 34 HIS : no HD1:sc= 0.91 K(o=2.2,f=-7.2!) USER MOD Set 7.2: A 52 THR OG1 : rot -133:sc= 1.26 USER MOD Set 8.1: A 8 TYR OH : rot 90:sc= 1.03 USER MOD Set 8.2: A 14 HIS : no HD1:sc= -0.938 X(o=0.096,f=0.15) USER MOD Set 9.1: A 5 LYS NZ :NH3+ 170:sc= 2.62 (180deg=2.14) USER MOD Set 9.2: A 131 SER OG : rot -133:sc= 0.852! USER MOD Single : A 1 TYR N :NH3+ -137:sc= 0.32 (180deg=0.00535) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -150:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.00193 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 27 THR OG1 : rot -80:sc= -4.01! USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.213 K(o=-0.21,f=-15!) USER MOD Single : A 36 GLN : amide:sc= 0.108 K(o=0.11,f=-0.71) USER MOD Single : A 38 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.8!) USER MOD Single : A 43 SER OG : rot 121:sc= 1.27 USER MOD Single : A 48 TYR OH : rot 141:sc= 1.08 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= -0.158 (180deg=-0.435) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0319 USER MOD Single : A 56 GLN : amide:sc= -0.319 K(o=-0.32,f=-2.3!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0.0369 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.408 USER MOD Single : A 70 GLN : amide:sc= -1.44 K(o=-1.4,f=-6.2!) USER MOD Single : A 71 THR OG1 : rot -15:sc= 0.826 USER MOD Single : A 73 ASN : amide:sc= -2.38! C(o=-2.4!,f=-7.6!) USER MOD Single : A 76 CYS SG : rot 69:sc= 0.918 USER MOD Single : A 87 TYR OH : rot -135:sc= 1.2 USER MOD Single : A 88 ASN :FLIP amide:sc= -1.22 F(o=-4.7!,f=-1.2) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.759 USER MOD Single : A 90 TYR OH : rot 21:sc= 1.08 USER MOD Single : A 93 LYS NZ :NH3+ 149:sc= 1.14 (180deg=0.221) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= 2.11 (180deg=1.96) USER MOD Single : A 95 HIS : no HD1:sc= 0.991 K(o=0.99,f=-6.6!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.32) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 CYS SG : rot 180:sc= -0.883 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.659 -1.473 -9.456 1.00 0.54 N ATOM 2 CA TYR A 1 15.198 -1.686 -9.289 1.00 0.51 C ATOM 3 C TYR A 1 14.663 -0.961 -8.049 1.00 0.43 C ATOM 4 O TYR A 1 13.598 -0.344 -8.103 1.00 0.59 O ATOM 5 CB TYR A 1 14.863 -3.187 -9.221 1.00 0.57 C ATOM 6 CG TYR A 1 15.593 -3.951 -8.134 1.00 0.55 C ATOM 7 CD1 TYR A 1 15.139 -3.947 -6.821 1.00 0.53 C ATOM 8 CD2 TYR A 1 16.743 -4.672 -8.427 1.00 0.77 C ATOM 9 CE1 TYR A 1 15.813 -4.637 -5.831 1.00 0.65 C ATOM 10 CE2 TYR A 1 17.419 -5.367 -7.445 1.00 0.93 C ATOM 11 CZ TYR A 1 16.952 -5.345 -6.150 1.00 0.85 C ATOM 12 OH TYR A 1 17.637 -6.024 -5.166 1.00 1.08 O ATOM 0 H1 TYR A 1 16.870 -1.285 -10.457 1.00 0.54 H new ATOM 0 H2 TYR A 1 16.960 -0.661 -8.880 1.00 0.54 H new ATOM 0 H3 TYR A 1 17.171 -2.324 -9.148 1.00 0.54 H new ATOM 0 HA TYR A 1 14.706 -1.262 -10.164 1.00 0.51 H new ATOM 0 HB2 TYR A 1 13.790 -3.299 -9.067 1.00 0.57 H new ATOM 0 HB3 TYR A 1 15.096 -3.641 -10.184 1.00 0.57 H new ATOM 0 HD1 TYR A 1 14.245 -3.396 -6.570 1.00 0.53 H new ATOM 0 HD2 TYR A 1 17.115 -4.689 -9.441 1.00 0.77 H new ATOM 0 HE1 TYR A 1 15.450 -4.622 -4.814 1.00 0.65 H new ATOM 0 HE2 TYR A 1 18.310 -5.925 -7.691 1.00 0.93 H new ATOM 0 HH TYR A 1 18.415 -6.472 -5.559 1.00 1.08 H new ATOM 24 N LYS A 2 15.398 -1.019 -6.936 1.00 0.35 N ATOM 25 CA LYS A 2 14.960 -0.360 -5.712 1.00 0.39 C ATOM 26 C LYS A 2 15.231 1.142 -5.781 1.00 0.34 C ATOM 27 O LYS A 2 16.334 1.567 -6.133 1.00 0.48 O ATOM 28 CB LYS A 2 15.640 -0.970 -4.474 1.00 0.54 C ATOM 29 CG LYS A 2 17.151 -0.765 -4.415 1.00 0.73 C ATOM 30 CD LYS A 2 17.686 -1.001 -3.012 1.00 1.05 C ATOM 31 CE LYS A 2 19.195 -0.817 -2.949 1.00 1.15 C ATOM 32 NZ LYS A 2 19.687 -0.762 -1.548 1.00 1.40 N ATOM 0 H LYS A 2 16.289 -1.511 -6.861 1.00 0.35 H new ATOM 0 HA LYS A 2 13.885 -0.517 -5.618 1.00 0.39 H new ATOM 0 HB2 LYS A 2 15.192 -0.537 -3.579 1.00 0.54 H new ATOM 0 HB3 LYS A 2 15.430 -2.039 -4.450 1.00 0.54 H new ATOM 0 HG2 LYS A 2 17.640 -1.445 -5.112 1.00 0.73 H new ATOM 0 HG3 LYS A 2 17.395 0.248 -4.734 1.00 0.73 H new ATOM 0 HD2 LYS A 2 17.206 -0.311 -2.318 1.00 1.05 H new ATOM 0 HD3 LYS A 2 17.428 -2.009 -2.689 1.00 1.05 H new ATOM 0 HE2 LYS A 2 19.683 -1.638 -3.474 1.00 1.15 H new ATOM 0 HE3 LYS A 2 19.471 0.101 -3.467 1.00 1.15 H new ATOM 0 HZ1 LYS A 2 20.719 -0.636 -1.547 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 19.240 0.037 -1.054 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 19.446 -1.648 -1.060 1.00 1.40 H new ATOM 46 N LYS A 3 14.215 1.933 -5.459 1.00 0.28 N ATOM 47 CA LYS A 3 14.318 3.388 -5.474 1.00 0.26 C ATOM 48 C LYS A 3 13.257 3.995 -4.560 1.00 0.26 C ATOM 49 O LYS A 3 12.252 3.343 -4.263 1.00 0.29 O ATOM 50 CB LYS A 3 14.143 3.921 -6.900 1.00 0.30 C ATOM 51 CG LYS A 3 15.426 4.435 -7.532 1.00 0.49 C ATOM 52 CD LYS A 3 15.146 5.147 -8.848 1.00 0.55 C ATOM 53 CE LYS A 3 16.403 5.774 -9.434 1.00 0.78 C ATOM 54 NZ LYS A 3 17.330 4.755 -9.997 1.00 1.18 N ATOM 0 H LYS A 3 13.297 1.585 -5.180 1.00 0.28 H new ATOM 0 HA LYS A 3 15.307 3.671 -5.113 1.00 0.26 H new ATOM 0 HB2 LYS A 3 13.735 3.127 -7.526 1.00 0.30 H new ATOM 0 HB3 LYS A 3 13.409 4.726 -6.888 1.00 0.30 H new ATOM 0 HG2 LYS A 3 15.924 5.119 -6.845 1.00 0.49 H new ATOM 0 HG3 LYS A 3 16.108 3.603 -7.704 1.00 0.49 H new ATOM 0 HD2 LYS A 3 14.727 4.438 -9.562 1.00 0.55 H new ATOM 0 HD3 LYS A 3 14.395 5.921 -8.689 1.00 0.55 H new ATOM 0 HE2 LYS A 3 16.124 6.480 -10.216 1.00 0.78 H new ATOM 0 HE3 LYS A 3 16.918 6.343 -8.660 1.00 0.78 H new ATOM 0 HZ1 LYS A 3 18.171 5.228 -10.385 1.00 1.18 H new ATOM 0 HZ2 LYS A 3 17.618 4.096 -9.246 1.00 1.18 H new ATOM 0 HZ3 LYS A 3 16.849 4.229 -10.754 1.00 1.18 H new ATOM 68 N PRO A 4 13.467 5.235 -4.082 1.00 0.28 N ATOM 69 CA PRO A 4 12.503 5.911 -3.210 1.00 0.30 C ATOM 70 C PRO A 4 11.134 6.002 -3.880 1.00 0.27 C ATOM 71 O PRO A 4 10.903 6.853 -4.744 1.00 0.35 O ATOM 72 CB PRO A 4 13.111 7.302 -2.992 1.00 0.35 C ATOM 73 CG PRO A 4 14.561 7.145 -3.304 1.00 0.43 C ATOM 74 CD PRO A 4 14.650 6.072 -4.351 1.00 0.37 C ATOM 0 HA PRO A 4 12.337 5.380 -2.273 1.00 0.30 H new ATOM 0 HB2 PRO A 4 12.646 8.042 -3.643 1.00 0.35 H new ATOM 0 HB3 PRO A 4 12.963 7.641 -1.967 1.00 0.35 H new ATOM 0 HG2 PRO A 4 14.984 8.081 -3.669 1.00 0.43 H new ATOM 0 HG3 PRO A 4 15.123 6.867 -2.413 1.00 0.43 H new ATOM 0 HD2 PRO A 4 14.627 6.490 -5.358 1.00 0.37 H new ATOM 0 HD3 PRO A 4 15.575 5.501 -4.264 1.00 0.37 H new ATOM 82 N LYS A 5 10.246 5.093 -3.497 1.00 0.24 N ATOM 83 CA LYS A 5 8.906 5.033 -4.056 1.00 0.22 C ATOM 84 C LYS A 5 7.881 5.619 -3.084 1.00 0.25 C ATOM 85 O LYS A 5 8.165 5.797 -1.900 1.00 0.48 O ATOM 86 CB LYS A 5 8.566 3.570 -4.378 1.00 0.24 C ATOM 87 CG LYS A 5 7.191 3.355 -4.998 1.00 0.24 C ATOM 88 CD LYS A 5 7.176 2.123 -5.890 1.00 0.34 C ATOM 89 CE LYS A 5 5.766 1.576 -6.078 1.00 0.35 C ATOM 90 NZ LYS A 5 5.636 0.771 -7.324 1.00 0.40 N ATOM 0 H LYS A 5 10.436 4.380 -2.793 1.00 0.24 H new ATOM 0 HA LYS A 5 8.872 5.628 -4.969 1.00 0.22 H new ATOM 0 HB2 LYS A 5 9.321 3.178 -5.059 1.00 0.24 H new ATOM 0 HB3 LYS A 5 8.630 2.986 -3.460 1.00 0.24 H new ATOM 0 HG2 LYS A 5 6.447 3.245 -4.209 1.00 0.24 H new ATOM 0 HG3 LYS A 5 6.911 4.232 -5.581 1.00 0.24 H new ATOM 0 HD2 LYS A 5 7.601 2.373 -6.862 1.00 0.34 H new ATOM 0 HD3 LYS A 5 7.810 1.351 -5.454 1.00 0.34 H new ATOM 0 HE2 LYS A 5 5.500 0.959 -5.220 1.00 0.35 H new ATOM 0 HE3 LYS A 5 5.058 2.404 -6.107 1.00 0.35 H new ATOM 0 HZ1 LYS A 5 4.718 0.282 -7.327 1.00 0.40 H new ATOM 0 HZ2 LYS A 5 5.696 1.399 -8.151 1.00 0.40 H new ATOM 0 HZ3 LYS A 5 6.402 0.069 -7.365 1.00 0.40 H new ATOM 104 N LEU A 6 6.699 5.935 -3.598 1.00 0.22 N ATOM 105 CA LEU A 6 5.620 6.475 -2.784 1.00 0.23 C ATOM 106 C LEU A 6 4.288 5.911 -3.265 1.00 0.22 C ATOM 107 O LEU A 6 4.160 5.510 -4.428 1.00 0.25 O ATOM 108 CB LEU A 6 5.612 8.013 -2.821 1.00 0.27 C ATOM 109 CG LEU A 6 5.039 8.655 -4.089 1.00 0.32 C ATOM 110 CD1 LEU A 6 4.838 10.148 -3.878 1.00 0.45 C ATOM 111 CD2 LEU A 6 5.948 8.405 -5.283 1.00 0.50 C ATOM 0 H LEU A 6 6.463 5.825 -4.584 1.00 0.22 H new ATOM 0 HA LEU A 6 5.779 6.177 -1.748 1.00 0.23 H new ATOM 0 HB2 LEU A 6 5.040 8.374 -1.966 1.00 0.27 H new ATOM 0 HB3 LEU A 6 6.636 8.364 -2.691 1.00 0.27 H new ATOM 0 HG LEU A 6 4.072 8.196 -4.298 1.00 0.32 H new ATOM 0 HD11 LEU A 6 4.431 10.592 -4.786 1.00 0.45 H new ATOM 0 HD12 LEU A 6 4.144 10.309 -3.053 1.00 0.45 H new ATOM 0 HD13 LEU A 6 5.795 10.614 -3.644 1.00 0.45 H new ATOM 0 HD21 LEU A 6 5.519 8.871 -6.170 1.00 0.50 H new ATOM 0 HD22 LEU A 6 6.931 8.833 -5.088 1.00 0.50 H new ATOM 0 HD23 LEU A 6 6.046 7.332 -5.448 1.00 0.50 H new ATOM 123 N LEU A 7 3.314 5.861 -2.366 1.00 0.24 N ATOM 124 CA LEU A 7 1.994 5.335 -2.680 1.00 0.26 C ATOM 125 C LEU A 7 0.953 6.443 -2.585 1.00 0.22 C ATOM 126 O LEU A 7 0.493 6.782 -1.494 1.00 0.24 O ATOM 127 CB LEU A 7 1.642 4.190 -1.727 1.00 0.32 C ATOM 128 CG LEU A 7 0.298 3.506 -1.994 1.00 0.36 C ATOM 129 CD1 LEU A 7 0.283 2.872 -3.378 1.00 0.44 C ATOM 130 CD2 LEU A 7 0.011 2.467 -0.921 1.00 0.46 C ATOM 0 H LEU A 7 3.417 6.182 -1.403 1.00 0.24 H new ATOM 0 HA LEU A 7 2.001 4.949 -3.699 1.00 0.26 H new ATOM 0 HB2 LEU A 7 2.430 3.439 -1.781 1.00 0.32 H new ATOM 0 HB3 LEU A 7 1.638 4.576 -0.708 1.00 0.32 H new ATOM 0 HG LEU A 7 -0.487 4.261 -1.960 1.00 0.36 H new ATOM 0 HD11 LEU A 7 -0.681 2.391 -3.548 1.00 0.44 H new ATOM 0 HD12 LEU A 7 0.442 3.642 -4.133 1.00 0.44 H new ATOM 0 HD13 LEU A 7 1.077 2.128 -3.446 1.00 0.44 H new ATOM 0 HD21 LEU A 7 -0.947 1.989 -1.124 1.00 0.46 H new ATOM 0 HD22 LEU A 7 0.799 1.714 -0.923 1.00 0.46 H new ATOM 0 HD23 LEU A 7 -0.025 2.952 0.055 1.00 0.46 H new ATOM 142 N TYR A 8 0.587 7.005 -3.726 1.00 0.22 N ATOM 143 CA TYR A 8 -0.383 8.088 -3.766 1.00 0.21 C ATOM 144 C TYR A 8 -1.796 7.553 -3.975 1.00 0.21 C ATOM 145 O TYR A 8 -2.016 6.651 -4.784 1.00 0.29 O ATOM 146 CB TYR A 8 -0.028 9.078 -4.877 1.00 0.24 C ATOM 147 CG TYR A 8 -0.560 10.470 -4.636 1.00 0.28 C ATOM 148 CD1 TYR A 8 -1.875 10.799 -4.949 1.00 0.37 C ATOM 149 CD2 TYR A 8 0.251 11.455 -4.095 1.00 0.46 C ATOM 150 CE1 TYR A 8 -2.362 12.072 -4.727 1.00 0.46 C ATOM 151 CE2 TYR A 8 -0.228 12.730 -3.870 1.00 0.56 C ATOM 152 CZ TYR A 8 -1.533 13.034 -4.187 1.00 0.50 C ATOM 153 OH TYR A 8 -2.013 14.305 -3.960 1.00 0.63 O ATOM 0 H TYR A 8 0.948 6.728 -4.639 1.00 0.22 H new ATOM 0 HA TYR A 8 -0.352 8.603 -2.806 1.00 0.21 H new ATOM 0 HB2 TYR A 8 1.056 9.125 -4.978 1.00 0.24 H new ATOM 0 HB3 TYR A 8 -0.421 8.706 -5.823 1.00 0.24 H new ATOM 0 HD1 TYR A 8 -2.525 10.047 -5.372 1.00 0.37 H new ATOM 0 HD2 TYR A 8 1.275 11.221 -3.845 1.00 0.46 H new ATOM 0 HE1 TYR A 8 -3.385 12.313 -4.974 1.00 0.46 H new ATOM 0 HE2 TYR A 8 0.418 13.485 -3.447 1.00 0.56 H new ATOM 0 HH TYR A 8 -2.389 14.356 -3.056 1.00 0.63 H new ATOM 163 N CYS A 9 -2.747 8.107 -3.232 1.00 0.23 N ATOM 164 CA CYS A 9 -4.143 7.710 -3.340 1.00 0.27 C ATOM 165 C CYS A 9 -4.966 8.887 -3.861 1.00 0.28 C ATOM 166 O CYS A 9 -5.115 9.903 -3.177 1.00 0.30 O ATOM 167 CB CYS A 9 -4.675 7.237 -1.984 1.00 0.30 C ATOM 168 SG CYS A 9 -3.721 5.887 -1.244 1.00 0.37 S ATOM 0 H CYS A 9 -2.573 8.839 -2.543 1.00 0.23 H new ATOM 0 HA CYS A 9 -4.226 6.879 -4.040 1.00 0.27 H new ATOM 0 HB2 CYS A 9 -4.684 8.081 -1.295 1.00 0.30 H new ATOM 0 HB3 CYS A 9 -5.709 6.913 -2.104 1.00 0.30 H new ATOM 0 HG CYS A 9 -4.505 5.152 -0.513 1.00 0.37 H new ATOM 174 N SER A 10 -5.481 8.754 -5.076 1.00 0.37 N ATOM 175 CA SER A 10 -6.271 9.810 -5.698 1.00 0.42 C ATOM 176 C SER A 10 -7.647 9.932 -5.040 1.00 0.39 C ATOM 177 O SER A 10 -8.674 9.610 -5.646 1.00 0.51 O ATOM 178 CB SER A 10 -6.416 9.543 -7.200 1.00 0.56 C ATOM 179 OG SER A 10 -5.211 9.023 -7.740 1.00 1.23 O ATOM 0 H SER A 10 -5.365 7.921 -5.653 1.00 0.37 H new ATOM 0 HA SER A 10 -5.749 10.756 -5.555 1.00 0.42 H new ATOM 0 HB2 SER A 10 -7.230 8.839 -7.371 1.00 0.56 H new ATOM 0 HB3 SER A 10 -6.681 10.467 -7.714 1.00 0.56 H new ATOM 0 HG SER A 10 -5.327 8.858 -8.699 1.00 1.23 H new ATOM 185 N ASN A 11 -7.656 10.381 -3.787 1.00 0.33 N ATOM 186 CA ASN A 11 -8.900 10.556 -3.044 1.00 0.36 C ATOM 187 C ASN A 11 -8.891 11.863 -2.244 1.00 0.35 C ATOM 188 O ASN A 11 -9.660 12.027 -1.292 1.00 0.47 O ATOM 189 CB ASN A 11 -9.130 9.363 -2.105 1.00 0.44 C ATOM 190 CG ASN A 11 -10.499 9.389 -1.436 1.00 0.55 C ATOM 191 OD1 ASN A 11 -10.630 9.081 -0.250 1.00 0.63 O ATOM 192 ND2 ASN A 11 -11.534 9.738 -2.190 1.00 0.75 N ATOM 0 H ASN A 11 -6.815 10.630 -3.266 1.00 0.33 H new ATOM 0 HA ASN A 11 -9.717 10.607 -3.764 1.00 0.36 H new ATOM 0 HB2 ASN A 11 -9.025 8.437 -2.670 1.00 0.44 H new ATOM 0 HB3 ASN A 11 -8.356 9.357 -1.337 1.00 0.44 H new ATOM 0 HD21 ASN A 11 -12.472 9.757 -1.791 1.00 0.75 H new ATOM 0 HD22 ASN A 11 -11.391 9.987 -3.169 1.00 0.75 H new ATOM 199 N GLY A 12 -8.045 12.805 -2.652 1.00 0.38 N ATOM 200 CA GLY A 12 -7.955 14.076 -1.961 1.00 0.45 C ATOM 201 C GLY A 12 -6.723 14.163 -1.084 1.00 0.46 C ATOM 202 O GLY A 12 -6.474 13.274 -0.269 1.00 0.87 O ATOM 0 H GLY A 12 -7.419 12.708 -3.452 1.00 0.38 H new ATOM 0 HA2 GLY A 12 -7.937 14.885 -2.692 1.00 0.45 H new ATOM 0 HA3 GLY A 12 -8.846 14.219 -1.349 1.00 0.45 H new ATOM 206 N GLY A 13 -5.951 15.230 -1.253 1.00 0.38 N ATOM 207 CA GLY A 13 -4.747 15.412 -0.468 1.00 0.36 C ATOM 208 C GLY A 13 -3.589 14.585 -0.995 1.00 0.31 C ATOM 209 O GLY A 13 -3.617 14.125 -2.139 1.00 0.40 O ATOM 0 H GLY A 13 -6.140 15.975 -1.923 1.00 0.38 H new ATOM 0 HA2 GLY A 13 -4.469 16.466 -0.471 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -4.946 15.137 0.568 1.00 0.36 H new ATOM 213 N HIS A 14 -2.569 14.407 -0.166 1.00 0.26 N ATOM 214 CA HIS A 14 -1.391 13.625 -0.535 1.00 0.24 C ATOM 215 C HIS A 14 -1.178 12.523 0.500 1.00 0.22 C ATOM 216 O HIS A 14 -1.556 12.693 1.659 1.00 0.30 O ATOM 217 CB HIS A 14 -0.146 14.523 -0.613 1.00 0.28 C ATOM 218 CG HIS A 14 -0.210 15.582 -1.674 1.00 0.38 C ATOM 219 ND1 HIS A 14 -1.110 16.624 -1.649 1.00 0.60 N ATOM 220 CD2 HIS A 14 0.539 15.767 -2.788 1.00 0.53 C ATOM 221 CE1 HIS A 14 -0.916 17.396 -2.700 1.00 0.72 C ATOM 222 NE2 HIS A 14 0.079 16.900 -3.408 1.00 0.66 N ATOM 0 H HIS A 14 -2.532 14.797 0.776 1.00 0.26 H new ATOM 0 HA HIS A 14 -1.551 13.181 -1.517 1.00 0.24 H new ATOM 0 HB2 HIS A 14 0.001 15.004 0.354 1.00 0.28 H new ATOM 0 HB3 HIS A 14 0.728 13.897 -0.794 1.00 0.28 H new ATOM 0 HD2 HIS A 14 1.349 15.138 -3.125 1.00 0.53 H new ATOM 0 HE1 HIS A 14 -1.478 18.286 -2.941 1.00 0.72 H new ATOM 0 HE2 HIS A 14 0.446 17.294 -4.274 1.00 0.66 H new ATOM 231 N PHE A 15 -0.567 11.411 0.099 1.00 0.20 N ATOM 232 CA PHE A 15 -0.334 10.289 1.013 1.00 0.21 C ATOM 233 C PHE A 15 1.081 9.743 0.862 1.00 0.21 C ATOM 234 O PHE A 15 1.538 9.516 -0.258 1.00 0.23 O ATOM 235 CB PHE A 15 -1.347 9.171 0.745 1.00 0.27 C ATOM 236 CG PHE A 15 -2.778 9.600 0.905 1.00 0.29 C ATOM 237 CD1 PHE A 15 -3.467 10.178 -0.151 1.00 0.31 C ATOM 238 CD2 PHE A 15 -3.436 9.420 2.110 1.00 0.43 C ATOM 239 CE1 PHE A 15 -4.782 10.568 -0.006 1.00 0.37 C ATOM 240 CE2 PHE A 15 -4.752 9.808 2.261 1.00 0.50 C ATOM 241 CZ PHE A 15 -5.427 10.383 1.201 1.00 0.45 C ATOM 0 H PHE A 15 -0.224 11.260 -0.850 1.00 0.20 H new ATOM 0 HA PHE A 15 -0.457 10.655 2.032 1.00 0.21 H new ATOM 0 HB2 PHE A 15 -1.201 8.796 -0.268 1.00 0.27 H new ATOM 0 HB3 PHE A 15 -1.148 8.342 1.424 1.00 0.27 H new ATOM 0 HD1 PHE A 15 -2.968 10.324 -1.098 1.00 0.31 H new ATOM 0 HD2 PHE A 15 -2.913 8.971 2.941 1.00 0.43 H new ATOM 0 HE1 PHE A 15 -5.307 11.018 -0.836 1.00 0.37 H new ATOM 0 HE2 PHE A 15 -5.254 9.662 3.206 1.00 0.50 H new ATOM 0 HZ PHE A 15 -6.457 10.687 1.316 1.00 0.45 H new ATOM 251 N LEU A 16 1.774 9.551 1.991 1.00 0.20 N ATOM 252 CA LEU A 16 3.141 9.017 1.976 1.00 0.22 C ATOM 253 C LEU A 16 3.791 9.044 3.370 1.00 0.23 C ATOM 254 O LEU A 16 4.879 9.599 3.551 1.00 0.33 O ATOM 255 CB LEU A 16 4.014 9.784 0.968 1.00 0.23 C ATOM 256 CG LEU A 16 3.894 11.310 1.021 1.00 0.24 C ATOM 257 CD1 LEU A 16 5.043 11.916 1.805 1.00 0.46 C ATOM 258 CD2 LEU A 16 3.839 11.894 -0.382 1.00 0.45 C ATOM 0 H LEU A 16 1.413 9.756 2.922 1.00 0.20 H new ATOM 0 HA LEU A 16 3.072 7.974 1.667 1.00 0.22 H new ATOM 0 HB2 LEU A 16 5.056 9.513 1.136 1.00 0.23 H new ATOM 0 HB3 LEU A 16 3.756 9.451 -0.037 1.00 0.23 H new ATOM 0 HG LEU A 16 2.964 11.558 1.533 1.00 0.24 H new ATOM 0 HD11 LEU A 16 4.936 13.000 1.828 1.00 0.46 H new ATOM 0 HD12 LEU A 16 5.033 11.528 2.824 1.00 0.46 H new ATOM 0 HD13 LEU A 16 5.987 11.655 1.327 1.00 0.46 H new ATOM 0 HD21 LEU A 16 3.754 12.979 -0.321 1.00 0.45 H new ATOM 0 HD22 LEU A 16 4.749 11.631 -0.921 1.00 0.45 H new ATOM 0 HD23 LEU A 16 2.975 11.491 -0.910 1.00 0.45 H new ATOM 270 N ARG A 17 3.136 8.430 4.354 1.00 0.24 N ATOM 271 CA ARG A 17 3.678 8.386 5.712 1.00 0.26 C ATOM 272 C ARG A 17 3.215 7.144 6.457 1.00 0.22 C ATOM 273 O ARG A 17 2.076 6.705 6.311 1.00 0.29 O ATOM 274 CB ARG A 17 3.272 9.632 6.501 1.00 0.34 C ATOM 275 CG ARG A 17 3.703 9.605 7.961 1.00 0.47 C ATOM 276 CD ARG A 17 3.549 10.968 8.618 1.00 0.53 C ATOM 277 NE ARG A 17 2.204 11.519 8.440 1.00 0.54 N ATOM 278 CZ ARG A 17 1.911 12.819 8.499 1.00 0.72 C ATOM 279 NH1 ARG A 17 2.860 13.711 8.779 1.00 0.85 N ATOM 280 NH2 ARG A 17 0.662 13.227 8.292 1.00 0.86 N ATOM 0 H ARG A 17 2.238 7.960 4.239 1.00 0.24 H new ATOM 0 HA ARG A 17 4.764 8.354 5.623 1.00 0.26 H new ATOM 0 HB2 ARG A 17 3.703 10.511 6.021 1.00 0.34 H new ATOM 0 HB3 ARG A 17 2.189 9.743 6.454 1.00 0.34 H new ATOM 0 HG2 ARG A 17 3.107 8.870 8.503 1.00 0.47 H new ATOM 0 HG3 ARG A 17 4.743 9.284 8.028 1.00 0.47 H new ATOM 0 HD2 ARG A 17 3.767 10.883 9.683 1.00 0.53 H new ATOM 0 HD3 ARG A 17 4.281 11.657 8.197 1.00 0.53 H new ATOM 0 HE ARG A 17 1.441 10.866 8.259 1.00 0.54 H new ATOM 0 HH11 ARG A 17 3.817 13.401 8.950 1.00 0.85 H new ATOM 0 HH12 ARG A 17 2.630 14.704 8.823 1.00 0.85 H new ATOM 0 HH21 ARG A 17 -0.070 12.546 8.089 1.00 0.86 H new ATOM 0 HH22 ARG A 17 0.436 14.221 8.337 1.00 0.86 H new ATOM 294 N ILE A 18 4.120 6.582 7.247 1.00 0.21 N ATOM 295 CA ILE A 18 3.836 5.408 8.051 1.00 0.20 C ATOM 296 C ILE A 18 4.313 5.660 9.477 1.00 0.20 C ATOM 297 O ILE A 18 5.470 6.030 9.693 1.00 0.26 O ATOM 298 CB ILE A 18 4.512 4.135 7.482 1.00 0.26 C ATOM 299 CG1 ILE A 18 4.067 2.896 8.267 1.00 0.29 C ATOM 300 CG2 ILE A 18 6.033 4.263 7.496 1.00 0.33 C ATOM 301 CD1 ILE A 18 2.636 2.481 7.991 1.00 0.33 C ATOM 0 H ILE A 18 5.073 6.931 7.346 1.00 0.21 H new ATOM 0 HA ILE A 18 2.760 5.234 8.035 1.00 0.20 H new ATOM 0 HB ILE A 18 4.197 4.022 6.445 1.00 0.26 H new ATOM 0 HG12 ILE A 18 4.730 2.066 8.024 1.00 0.29 H new ATOM 0 HG13 ILE A 18 4.180 3.093 9.333 1.00 0.29 H new ATOM 0 HG21 ILE A 18 6.478 3.354 7.091 1.00 0.33 H new ATOM 0 HG22 ILE A 18 6.332 5.116 6.887 1.00 0.33 H new ATOM 0 HG23 ILE A 18 6.376 4.410 8.520 1.00 0.33 H new ATOM 0 HD11 ILE A 18 2.393 1.598 8.582 1.00 0.33 H new ATOM 0 HD12 ILE A 18 1.963 3.295 8.261 1.00 0.33 H new ATOM 0 HD13 ILE A 18 2.522 2.252 6.932 1.00 0.33 H new ATOM 313 N LEU A 19 3.415 5.503 10.438 1.00 0.21 N ATOM 314 CA LEU A 19 3.751 5.721 11.838 1.00 0.24 C ATOM 315 C LEU A 19 4.267 4.435 12.479 1.00 0.23 C ATOM 316 O LEU A 19 3.751 3.347 12.203 1.00 0.22 O ATOM 317 CB LEU A 19 2.534 6.242 12.612 1.00 0.30 C ATOM 318 CG LEU A 19 2.051 7.646 12.224 1.00 0.40 C ATOM 319 CD1 LEU A 19 3.217 8.622 12.145 1.00 0.54 C ATOM 320 CD2 LEU A 19 1.289 7.612 10.904 1.00 0.48 C ATOM 0 H LEU A 19 2.447 5.225 10.274 1.00 0.21 H new ATOM 0 HA LEU A 19 4.541 6.471 11.880 1.00 0.24 H new ATOM 0 HB2 LEU A 19 1.710 5.542 12.471 1.00 0.30 H new ATOM 0 HB3 LEU A 19 2.775 6.241 13.675 1.00 0.30 H new ATOM 0 HG LEU A 19 1.371 7.993 13.002 1.00 0.40 H new ATOM 0 HD11 LEU A 19 2.847 9.609 11.868 1.00 0.54 H new ATOM 0 HD12 LEU A 19 3.711 8.678 13.115 1.00 0.54 H new ATOM 0 HD13 LEU A 19 3.929 8.278 11.395 1.00 0.54 H new ATOM 0 HD21 LEU A 19 0.957 8.618 10.650 1.00 0.48 H new ATOM 0 HD22 LEU A 19 1.942 7.236 10.117 1.00 0.48 H new ATOM 0 HD23 LEU A 19 0.423 6.957 11.001 1.00 0.48 H new ATOM 332 N PRO A 20 5.281 4.550 13.362 1.00 0.29 N ATOM 333 CA PRO A 20 5.886 3.403 14.055 1.00 0.33 C ATOM 334 C PRO A 20 4.852 2.505 14.737 1.00 0.30 C ATOM 335 O PRO A 20 5.132 1.345 15.040 1.00 0.36 O ATOM 336 CB PRO A 20 6.813 4.046 15.101 1.00 0.41 C ATOM 337 CG PRO A 20 6.446 5.492 15.128 1.00 0.55 C ATOM 338 CD PRO A 20 5.925 5.809 13.758 1.00 0.38 C ATOM 0 HA PRO A 20 6.405 2.749 13.354 1.00 0.33 H new ATOM 0 HB2 PRO A 20 6.675 3.588 16.081 1.00 0.41 H new ATOM 0 HB3 PRO A 20 7.861 3.912 14.831 1.00 0.41 H new ATOM 0 HG2 PRO A 20 5.690 5.689 15.889 1.00 0.55 H new ATOM 0 HG3 PRO A 20 7.311 6.110 15.370 1.00 0.55 H new ATOM 0 HD2 PRO A 20 5.218 6.638 13.775 1.00 0.38 H new ATOM 0 HD3 PRO A 20 6.726 6.087 13.074 1.00 0.38 H new ATOM 346 N ASP A 21 3.661 3.045 14.990 1.00 0.27 N ATOM 347 CA ASP A 21 2.592 2.276 15.622 1.00 0.30 C ATOM 348 C ASP A 21 1.878 1.390 14.606 1.00 0.29 C ATOM 349 O ASP A 21 0.997 0.605 14.965 1.00 0.41 O ATOM 350 CB ASP A 21 1.587 3.204 16.307 1.00 0.36 C ATOM 351 CG ASP A 21 2.136 3.819 17.577 1.00 0.64 C ATOM 352 OD1 ASP A 21 2.676 3.075 18.422 1.00 0.96 O ATOM 353 OD2 ASP A 21 2.031 5.051 17.738 1.00 0.95 O ATOM 0 H ASP A 21 3.413 4.009 14.768 1.00 0.27 H new ATOM 0 HA ASP A 21 3.048 1.635 16.377 1.00 0.30 H new ATOM 0 HB2 ASP A 21 1.302 3.998 15.617 1.00 0.36 H new ATOM 0 HB3 ASP A 21 0.681 2.644 16.541 1.00 0.36 H new ATOM 358 N GLY A 22 2.258 1.508 13.336 1.00 0.24 N ATOM 359 CA GLY A 22 1.641 0.704 12.310 1.00 0.27 C ATOM 360 C GLY A 22 0.405 1.364 11.740 1.00 0.27 C ATOM 361 O GLY A 22 -0.698 0.829 11.847 1.00 0.35 O ATOM 0 H GLY A 22 2.981 2.147 13.006 1.00 0.24 H new ATOM 0 HA2 GLY A 22 2.358 0.525 11.509 1.00 0.27 H new ATOM 0 HA3 GLY A 22 1.375 -0.269 12.723 1.00 0.27 H new ATOM 365 N THR A 23 0.586 2.539 11.154 1.00 0.24 N ATOM 366 CA THR A 23 -0.520 3.272 10.554 1.00 0.27 C ATOM 367 C THR A 23 -0.016 4.185 9.438 1.00 0.22 C ATOM 368 O THR A 23 1.065 4.776 9.552 1.00 0.25 O ATOM 369 CB THR A 23 -1.278 4.116 11.606 1.00 0.34 C ATOM 370 OG1 THR A 23 -1.473 3.356 12.815 1.00 0.47 O ATOM 371 CG2 THR A 23 -2.630 4.568 11.070 1.00 0.43 C ATOM 0 H THR A 23 1.490 3.006 11.081 1.00 0.24 H new ATOM 0 HA THR A 23 -1.209 2.537 10.139 1.00 0.27 H new ATOM 0 HB THR A 23 -0.673 4.996 11.825 1.00 0.34 H new ATOM 0 HG1 THR A 23 -1.952 3.903 13.472 1.00 0.47 H new ATOM 0 HG21 THR A 23 -3.143 5.159 11.829 1.00 0.43 H new ATOM 0 HG22 THR A 23 -2.483 5.174 10.176 1.00 0.43 H new ATOM 0 HG23 THR A 23 -3.233 3.695 10.822 1.00 0.43 H new ATOM 379 N VAL A 24 -0.791 4.274 8.364 1.00 0.25 N ATOM 380 CA VAL A 24 -0.451 5.112 7.221 1.00 0.24 C ATOM 381 C VAL A 24 -1.499 6.210 7.056 1.00 0.28 C ATOM 382 O VAL A 24 -2.693 5.961 7.243 1.00 0.37 O ATOM 383 CB VAL A 24 -0.348 4.280 5.918 1.00 0.29 C ATOM 384 CG1 VAL A 24 -1.639 3.518 5.649 1.00 0.37 C ATOM 385 CG2 VAL A 24 0.009 5.164 4.729 1.00 0.32 C ATOM 0 H VAL A 24 -1.671 3.769 8.261 1.00 0.25 H new ATOM 0 HA VAL A 24 0.524 5.561 7.409 1.00 0.24 H new ATOM 0 HB VAL A 24 0.453 3.553 6.054 1.00 0.29 H new ATOM 0 HG11 VAL A 24 -1.537 2.943 4.728 1.00 0.37 H new ATOM 0 HG12 VAL A 24 -1.842 2.841 6.479 1.00 0.37 H new ATOM 0 HG13 VAL A 24 -2.463 4.224 5.547 1.00 0.37 H new ATOM 0 HG21 VAL A 24 0.075 4.553 3.828 1.00 0.32 H new ATOM 0 HG22 VAL A 24 -0.761 5.924 4.597 1.00 0.32 H new ATOM 0 HG23 VAL A 24 0.969 5.647 4.910 1.00 0.32 H new ATOM 395 N ASP A 25 -1.052 7.415 6.720 1.00 0.28 N ATOM 396 CA ASP A 25 -1.961 8.547 6.546 1.00 0.35 C ATOM 397 C ASP A 25 -1.485 9.480 5.432 1.00 0.27 C ATOM 398 O ASP A 25 -0.503 9.190 4.736 1.00 0.26 O ATOM 399 CB ASP A 25 -2.109 9.323 7.863 1.00 0.50 C ATOM 400 CG ASP A 25 -1.017 10.360 8.076 1.00 0.53 C ATOM 401 OD1 ASP A 25 0.155 9.977 8.266 1.00 1.28 O ATOM 402 OD2 ASP A 25 -1.331 11.570 8.076 1.00 1.19 O ATOM 0 H ASP A 25 -0.069 7.635 6.563 1.00 0.28 H new ATOM 0 HA ASP A 25 -2.934 8.150 6.257 1.00 0.35 H new ATOM 0 HB2 ASP A 25 -3.079 9.819 7.877 1.00 0.50 H new ATOM 0 HB3 ASP A 25 -2.099 8.619 8.695 1.00 0.50 H new ATOM 407 N GLY A 26 -2.189 10.601 5.270 1.00 0.27 N ATOM 408 CA GLY A 26 -1.851 11.564 4.241 1.00 0.26 C ATOM 409 C GLY A 26 -0.576 12.325 4.548 1.00 0.32 C ATOM 410 O GLY A 26 -0.315 12.683 5.699 1.00 0.72 O ATOM 0 H GLY A 26 -2.994 10.857 5.841 1.00 0.27 H new ATOM 0 HA2 GLY A 26 -1.740 11.047 3.288 1.00 0.26 H new ATOM 0 HA3 GLY A 26 -2.673 12.271 4.127 1.00 0.26 H new ATOM 414 N THR A 27 0.212 12.593 3.518 1.00 0.25 N ATOM 415 CA THR A 27 1.478 13.299 3.671 1.00 0.23 C ATOM 416 C THR A 27 1.972 13.823 2.324 1.00 0.23 C ATOM 417 O THR A 27 1.477 13.405 1.277 1.00 0.26 O ATOM 418 CB THR A 27 2.553 12.373 4.274 1.00 0.30 C ATOM 419 OG1 THR A 27 1.928 11.245 4.901 1.00 0.60 O ATOM 420 CG2 THR A 27 3.410 13.120 5.288 1.00 0.65 C ATOM 0 H THR A 27 -0.005 12.330 2.557 1.00 0.25 H new ATOM 0 HA THR A 27 1.306 14.138 4.345 1.00 0.23 H new ATOM 0 HB THR A 27 3.200 12.028 3.467 1.00 0.30 H new ATOM 0 HG1 THR A 27 1.599 11.504 5.787 1.00 0.60 H new ATOM 0 HG21 THR A 27 4.160 12.444 5.698 1.00 0.65 H new ATOM 0 HG22 THR A 27 3.906 13.958 4.798 1.00 0.65 H new ATOM 0 HG23 THR A 27 2.778 13.493 6.094 1.00 0.65 H new ATOM 428 N ARG A 28 2.942 14.731 2.356 1.00 0.26 N ATOM 429 CA ARG A 28 3.499 15.305 1.135 1.00 0.29 C ATOM 430 C ARG A 28 5.023 15.278 1.185 1.00 0.29 C ATOM 431 O ARG A 28 5.618 15.651 2.199 1.00 0.39 O ATOM 432 CB ARG A 28 2.998 16.742 0.938 1.00 0.36 C ATOM 433 CG ARG A 28 3.397 17.695 2.059 1.00 0.44 C ATOM 434 CD ARG A 28 2.679 19.033 1.953 1.00 0.57 C ATOM 435 NE ARG A 28 1.239 18.906 2.190 1.00 0.66 N ATOM 436 CZ ARG A 28 0.533 19.704 3.002 1.00 0.85 C ATOM 437 NH1 ARG A 28 1.122 20.713 3.647 1.00 1.04 N ATOM 438 NH2 ARG A 28 -0.772 19.496 3.159 1.00 1.12 N ATOM 0 H ARG A 28 3.360 15.086 3.216 1.00 0.26 H new ATOM 0 HA ARG A 28 3.166 14.705 0.288 1.00 0.29 H new ATOM 0 HB2 ARG A 28 3.385 17.125 -0.006 1.00 0.36 H new ATOM 0 HB3 ARG A 28 1.911 16.729 0.855 1.00 0.36 H new ATOM 0 HG2 ARG A 28 3.170 17.237 3.022 1.00 0.44 H new ATOM 0 HG3 ARG A 28 4.474 17.858 2.030 1.00 0.44 H new ATOM 0 HD2 ARG A 28 3.105 19.730 2.675 1.00 0.57 H new ATOM 0 HD3 ARG A 28 2.847 19.457 0.963 1.00 0.57 H new ATOM 0 HE ARG A 28 0.741 18.160 1.704 1.00 0.66 H new ATOM 0 HH11 ARG A 28 2.120 20.883 3.524 1.00 1.04 H new ATOM 0 HH12 ARG A 28 0.574 21.314 4.263 1.00 1.04 H new ATOM 0 HH21 ARG A 28 -1.230 18.732 2.662 1.00 1.12 H new ATOM 0 HH22 ARG A 28 -1.314 20.101 3.776 1.00 1.12 H new ATOM 452 N ASP A 29 5.645 14.826 0.100 1.00 0.27 N ATOM 453 CA ASP A 29 7.104 14.750 0.019 1.00 0.29 C ATOM 454 C ASP A 29 7.546 14.600 -1.441 1.00 0.30 C ATOM 455 O ASP A 29 6.710 14.580 -2.349 1.00 0.37 O ATOM 456 CB ASP A 29 7.630 13.573 0.854 1.00 0.31 C ATOM 457 CG ASP A 29 9.010 13.830 1.426 1.00 0.39 C ATOM 458 OD1 ASP A 29 9.958 14.060 0.643 1.00 0.47 O ATOM 459 OD2 ASP A 29 9.155 13.806 2.665 1.00 0.53 O ATOM 0 H ASP A 29 5.161 14.505 -0.739 1.00 0.27 H new ATOM 0 HA ASP A 29 7.521 15.674 0.421 1.00 0.29 H new ATOM 0 HB2 ASP A 29 6.935 13.373 1.669 1.00 0.31 H new ATOM 0 HB3 ASP A 29 7.660 12.678 0.233 1.00 0.31 H new ATOM 464 N ARG A 30 8.849 14.489 -1.662 1.00 0.35 N ATOM 465 CA ARG A 30 9.396 14.344 -3.005 1.00 0.39 C ATOM 466 C ARG A 30 9.625 12.870 -3.327 1.00 0.37 C ATOM 467 O ARG A 30 10.734 12.355 -3.169 1.00 0.41 O ATOM 468 CB ARG A 30 10.710 15.122 -3.130 1.00 0.48 C ATOM 469 CG ARG A 30 11.174 15.308 -4.564 1.00 0.53 C ATOM 470 CD ARG A 30 10.271 16.271 -5.314 1.00 0.62 C ATOM 471 NE ARG A 30 10.359 16.088 -6.763 1.00 0.72 N ATOM 472 CZ ARG A 30 9.316 16.152 -7.596 1.00 0.86 C ATOM 473 NH1 ARG A 30 8.099 16.444 -7.138 1.00 1.07 N ATOM 474 NH2 ARG A 30 9.494 15.936 -8.897 1.00 1.02 N ATOM 0 H ARG A 30 9.552 14.497 -0.923 1.00 0.35 H new ATOM 0 HA ARG A 30 8.679 14.751 -3.718 1.00 0.39 H new ATOM 0 HB2 ARG A 30 10.588 16.101 -2.667 1.00 0.48 H new ATOM 0 HB3 ARG A 30 11.486 14.599 -2.571 1.00 0.48 H new ATOM 0 HG2 ARG A 30 12.197 15.684 -4.572 1.00 0.53 H new ATOM 0 HG3 ARG A 30 11.185 14.344 -5.073 1.00 0.53 H new ATOM 0 HD2 ARG A 30 9.240 16.126 -4.992 1.00 0.62 H new ATOM 0 HD3 ARG A 30 10.543 17.296 -5.061 1.00 0.62 H new ATOM 0 HE ARG A 30 11.278 15.899 -7.164 1.00 0.72 H new ATOM 0 HH11 ARG A 30 7.957 16.621 -6.144 1.00 1.07 H new ATOM 0 HH12 ARG A 30 7.309 16.490 -7.782 1.00 1.07 H new ATOM 0 HH21 ARG A 30 10.425 15.722 -9.256 1.00 1.02 H new ATOM 0 HH22 ARG A 30 8.700 15.984 -9.535 1.00 1.02 H new ATOM 488 N SER A 31 8.565 12.188 -3.763 1.00 0.44 N ATOM 489 CA SER A 31 8.650 10.770 -4.100 1.00 0.51 C ATOM 490 C SER A 31 9.293 10.000 -2.947 1.00 0.51 C ATOM 491 O SER A 31 10.155 9.145 -3.153 1.00 0.86 O ATOM 492 CB SER A 31 9.459 10.581 -5.388 1.00 0.65 C ATOM 493 OG SER A 31 9.002 11.452 -6.413 1.00 0.74 O ATOM 0 H SER A 31 7.639 12.596 -3.890 1.00 0.44 H new ATOM 0 HA SER A 31 7.645 10.381 -4.264 1.00 0.51 H new ATOM 0 HB2 SER A 31 10.514 10.771 -5.189 1.00 0.65 H new ATOM 0 HB3 SER A 31 9.379 9.547 -5.723 1.00 0.65 H new ATOM 0 HG SER A 31 9.536 11.312 -7.223 1.00 0.74 H new ATOM 499 N ASP A 32 8.857 10.314 -1.733 1.00 0.47 N ATOM 500 CA ASP A 32 9.395 9.680 -0.538 1.00 0.47 C ATOM 501 C ASP A 32 8.280 9.338 0.441 1.00 0.49 C ATOM 502 O ASP A 32 7.096 9.510 0.138 1.00 1.05 O ATOM 503 CB ASP A 32 10.413 10.607 0.140 1.00 0.57 C ATOM 504 CG ASP A 32 11.824 10.062 0.090 1.00 0.73 C ATOM 505 OD1 ASP A 32 12.036 8.898 0.490 1.00 1.11 O ATOM 506 OD2 ASP A 32 12.733 10.807 -0.336 1.00 0.83 O ATOM 0 H ASP A 32 8.130 11.006 -1.551 1.00 0.47 H new ATOM 0 HA ASP A 32 9.892 8.757 -0.837 1.00 0.47 H new ATOM 0 HB2 ASP A 32 10.388 11.583 -0.344 1.00 0.57 H new ATOM 0 HB3 ASP A 32 10.123 10.759 1.180 1.00 0.57 H new ATOM 511 N GLN A 33 8.671 8.854 1.613 1.00 0.35 N ATOM 512 CA GLN A 33 7.726 8.483 2.659 1.00 0.34 C ATOM 513 C GLN A 33 8.304 8.870 4.024 1.00 0.35 C ATOM 514 O GLN A 33 9.148 9.763 4.094 1.00 0.54 O ATOM 515 CB GLN A 33 7.445 6.975 2.582 1.00 0.45 C ATOM 516 CG GLN A 33 5.964 6.631 2.559 1.00 0.53 C ATOM 517 CD GLN A 33 5.449 6.142 3.899 1.00 0.71 C ATOM 518 OE1 GLN A 33 6.000 6.477 4.951 1.00 0.98 O ATOM 519 NE2 GLN A 33 4.388 5.348 3.874 1.00 0.82 N ATOM 0 H GLN A 33 9.649 8.708 1.865 1.00 0.35 H new ATOM 0 HA GLN A 33 6.784 9.014 2.521 1.00 0.34 H new ATOM 0 HB2 GLN A 33 7.917 6.571 1.686 1.00 0.45 H new ATOM 0 HB3 GLN A 33 7.910 6.483 3.436 1.00 0.45 H new ATOM 0 HG2 GLN A 33 5.397 7.511 2.257 1.00 0.53 H new ATOM 0 HG3 GLN A 33 5.786 5.864 1.806 1.00 0.53 H new ATOM 0 HE21 GLN A 33 3.962 5.095 2.983 1.00 0.82 H new ATOM 0 HE22 GLN A 33 3.998 4.990 4.746 1.00 0.82 H new ATOM 528 N HIS A 34 7.853 8.213 5.102 1.00 0.34 N ATOM 529 CA HIS A 34 8.367 8.488 6.453 1.00 0.39 C ATOM 530 C HIS A 34 9.874 8.746 6.399 1.00 0.37 C ATOM 531 O HIS A 34 10.395 9.635 7.069 1.00 0.50 O ATOM 532 CB HIS A 34 8.059 7.302 7.382 1.00 0.48 C ATOM 533 CG HIS A 34 8.801 7.329 8.684 1.00 0.63 C ATOM 534 ND1 HIS A 34 9.674 6.333 9.071 1.00 0.86 N ATOM 535 CD2 HIS A 34 8.786 8.230 9.697 1.00 0.83 C ATOM 536 CE1 HIS A 34 10.161 6.622 10.266 1.00 0.99 C ATOM 537 NE2 HIS A 34 9.637 7.765 10.663 1.00 0.95 N ATOM 0 H HIS A 34 7.135 7.489 5.066 1.00 0.34 H new ATOM 0 HA HIS A 34 7.876 9.378 6.847 1.00 0.39 H new ATOM 0 HB2 HIS A 34 6.989 7.285 7.588 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.298 6.375 6.860 1.00 0.48 H new ATOM 0 HD2 HIS A 34 8.211 9.143 9.735 1.00 0.83 H new ATOM 0 HE1 HIS A 34 10.868 6.024 10.822 1.00 0.99 H new ATOM 0 HE2 HIS A 34 9.835 8.229 11.550 1.00 0.95 H new ATOM 546 N ILE A 35 10.553 7.942 5.588 1.00 0.31 N ATOM 547 CA ILE A 35 11.990 8.058 5.376 1.00 0.34 C ATOM 548 C ILE A 35 12.319 7.649 3.941 1.00 0.33 C ATOM 549 O ILE A 35 13.095 8.313 3.256 1.00 0.40 O ATOM 550 CB ILE A 35 12.796 7.186 6.367 1.00 0.39 C ATOM 551 CG1 ILE A 35 12.717 7.775 7.782 1.00 0.42 C ATOM 552 CG2 ILE A 35 14.248 7.063 5.918 1.00 0.52 C ATOM 553 CD1 ILE A 35 13.615 7.079 8.788 1.00 0.51 C ATOM 0 H ILE A 35 10.119 7.187 5.057 1.00 0.31 H new ATOM 0 HA ILE A 35 12.274 9.096 5.550 1.00 0.34 H new ATOM 0 HB ILE A 35 12.359 6.188 6.382 1.00 0.39 H new ATOM 0 HG12 ILE A 35 12.984 8.831 7.741 1.00 0.42 H new ATOM 0 HG13 ILE A 35 11.686 7.720 8.131 1.00 0.42 H new ATOM 0 HG21 ILE A 35 14.798 6.446 6.629 1.00 0.52 H new ATOM 0 HG22 ILE A 35 14.286 6.601 4.931 1.00 0.52 H new ATOM 0 HG23 ILE A 35 14.700 8.054 5.873 1.00 0.52 H new ATOM 0 HD11 ILE A 35 13.503 7.552 9.764 1.00 0.51 H new ATOM 0 HD12 ILE A 35 13.335 6.028 8.860 1.00 0.51 H new ATOM 0 HD13 ILE A 35 14.653 7.156 8.464 1.00 0.51 H new ATOM 565 N GLN A 36 11.724 6.536 3.511 1.00 0.29 N ATOM 566 CA GLN A 36 11.904 6.014 2.163 1.00 0.30 C ATOM 567 C GLN A 36 11.006 4.793 1.983 1.00 0.30 C ATOM 568 O GLN A 36 10.860 3.997 2.912 1.00 0.64 O ATOM 569 CB GLN A 36 13.365 5.624 1.923 1.00 0.37 C ATOM 570 CG GLN A 36 13.637 5.118 0.511 1.00 0.40 C ATOM 571 CD GLN A 36 15.025 4.511 0.349 1.00 0.47 C ATOM 572 OE1 GLN A 36 15.656 4.658 -0.694 1.00 0.76 O ATOM 573 NE2 GLN A 36 15.494 3.795 1.365 1.00 0.61 N ATOM 0 H GLN A 36 11.103 5.972 4.092 1.00 0.29 H new ATOM 0 HA GLN A 36 11.635 6.786 1.442 1.00 0.30 H new ATOM 0 HB2 GLN A 36 14.000 6.488 2.119 1.00 0.37 H new ATOM 0 HB3 GLN A 36 13.648 4.851 2.638 1.00 0.37 H new ATOM 0 HG2 GLN A 36 12.888 4.371 0.249 1.00 0.40 H new ATOM 0 HG3 GLN A 36 13.524 5.943 -0.192 1.00 0.40 H new ATOM 0 HE21 GLN A 36 14.941 3.695 2.216 1.00 0.61 H new ATOM 0 HE22 GLN A 36 16.407 3.345 1.294 1.00 0.61 H new ATOM 582 N LEU A 37 10.388 4.660 0.820 1.00 0.27 N ATOM 583 CA LEU A 37 9.518 3.521 0.544 1.00 0.25 C ATOM 584 C LEU A 37 10.113 2.688 -0.582 1.00 0.22 C ATOM 585 O LEU A 37 10.377 3.208 -1.670 1.00 0.26 O ATOM 586 CB LEU A 37 8.108 3.989 0.165 1.00 0.33 C ATOM 587 CG LEU A 37 6.959 3.196 0.795 1.00 0.42 C ATOM 588 CD1 LEU A 37 5.618 3.694 0.276 1.00 0.57 C ATOM 589 CD2 LEU A 37 7.114 1.705 0.524 1.00 0.53 C ATOM 0 H LEU A 37 10.471 5.325 0.051 1.00 0.27 H new ATOM 0 HA LEU A 37 9.442 2.913 1.445 1.00 0.25 H new ATOM 0 HB2 LEU A 37 8.003 5.036 0.450 1.00 0.33 H new ATOM 0 HB3 LEU A 37 8.007 3.942 -0.919 1.00 0.33 H new ATOM 0 HG LEU A 37 6.993 3.351 1.873 1.00 0.42 H new ATOM 0 HD11 LEU A 37 4.814 3.119 0.735 1.00 0.57 H new ATOM 0 HD12 LEU A 37 5.499 4.748 0.527 1.00 0.57 H new ATOM 0 HD13 LEU A 37 5.579 3.573 -0.807 1.00 0.57 H new ATOM 0 HD21 LEU A 37 6.286 1.164 0.982 1.00 0.53 H new ATOM 0 HD22 LEU A 37 7.112 1.529 -0.552 1.00 0.53 H new ATOM 0 HD23 LEU A 37 8.055 1.354 0.948 1.00 0.53 H new ATOM 601 N GLN A 38 10.350 1.410 -0.315 1.00 0.23 N ATOM 602 CA GLN A 38 10.920 0.516 -1.312 1.00 0.27 C ATOM 603 C GLN A 38 9.936 -0.591 -1.667 1.00 0.24 C ATOM 604 O GLN A 38 9.435 -1.292 -0.787 1.00 0.32 O ATOM 605 CB GLN A 38 12.224 -0.106 -0.802 1.00 0.38 C ATOM 606 CG GLN A 38 13.251 0.907 -0.330 1.00 0.51 C ATOM 607 CD GLN A 38 14.459 0.248 0.309 1.00 0.62 C ATOM 608 OE1 GLN A 38 14.354 -0.819 0.916 1.00 1.05 O ATOM 609 NE2 GLN A 38 15.615 0.871 0.171 1.00 0.75 N ATOM 0 H GLN A 38 10.156 0.970 0.585 1.00 0.23 H new ATOM 0 HA GLN A 38 11.132 1.105 -2.204 1.00 0.27 H new ATOM 0 HB2 GLN A 38 11.994 -0.784 0.020 1.00 0.38 H new ATOM 0 HB3 GLN A 38 12.662 -0.708 -1.598 1.00 0.38 H new ATOM 0 HG2 GLN A 38 13.576 1.513 -1.176 1.00 0.51 H new ATOM 0 HG3 GLN A 38 12.787 1.584 0.388 1.00 0.51 H new ATOM 0 HE21 GLN A 38 15.661 1.753 -0.339 1.00 0.75 H new ATOM 0 HE22 GLN A 38 16.462 0.470 0.574 1.00 0.75 H new ATOM 618 N LEU A 39 9.653 -0.727 -2.954 1.00 0.24 N ATOM 619 CA LEU A 39 8.752 -1.756 -3.446 1.00 0.24 C ATOM 620 C LEU A 39 9.417 -2.469 -4.615 1.00 0.26 C ATOM 621 O LEU A 39 9.472 -1.935 -5.726 1.00 0.34 O ATOM 622 CB LEU A 39 7.412 -1.148 -3.877 1.00 0.26 C ATOM 623 CG LEU A 39 6.300 -2.162 -4.182 1.00 0.34 C ATOM 624 CD1 LEU A 39 4.932 -1.500 -4.106 1.00 0.38 C ATOM 625 CD2 LEU A 39 6.507 -2.802 -5.550 1.00 0.41 C ATOM 0 H LEU A 39 10.040 -0.129 -3.684 1.00 0.24 H new ATOM 0 HA LEU A 39 8.547 -2.470 -2.648 1.00 0.24 H new ATOM 0 HB2 LEU A 39 7.065 -0.479 -3.089 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.577 -0.537 -4.764 1.00 0.26 H new ATOM 0 HG LEU A 39 6.345 -2.947 -3.428 1.00 0.34 H new ATOM 0 HD11 LEU A 39 4.159 -2.236 -4.325 1.00 0.38 H new ATOM 0 HD12 LEU A 39 4.777 -1.099 -3.104 1.00 0.38 H new ATOM 0 HD13 LEU A 39 4.879 -0.690 -4.834 1.00 0.38 H new ATOM 0 HD21 LEU A 39 5.706 -3.516 -5.742 1.00 0.41 H new ATOM 0 HD22 LEU A 39 6.496 -2.029 -6.319 1.00 0.41 H new ATOM 0 HD23 LEU A 39 7.467 -3.319 -5.568 1.00 0.41 H new ATOM 637 N SER A 40 9.954 -3.656 -4.354 1.00 0.25 N ATOM 638 CA SER A 40 10.640 -4.427 -5.384 1.00 0.28 C ATOM 639 C SER A 40 11.227 -5.722 -4.816 1.00 0.29 C ATOM 640 O SER A 40 10.942 -6.088 -3.675 1.00 0.38 O ATOM 641 CB SER A 40 11.758 -3.576 -5.995 1.00 0.36 C ATOM 642 OG SER A 40 11.298 -2.872 -7.137 1.00 0.55 O ATOM 0 H SER A 40 9.927 -4.105 -3.438 1.00 0.25 H new ATOM 0 HA SER A 40 9.914 -4.696 -6.151 1.00 0.28 H new ATOM 0 HB2 SER A 40 12.128 -2.869 -5.253 1.00 0.36 H new ATOM 0 HB3 SER A 40 12.596 -4.216 -6.271 1.00 0.36 H new ATOM 0 HG SER A 40 10.852 -2.047 -6.855 1.00 0.55 H new ATOM 648 N ALA A 41 12.022 -6.413 -5.639 1.00 0.33 N ATOM 649 CA ALA A 41 12.689 -7.652 -5.239 1.00 0.37 C ATOM 650 C ALA A 41 11.711 -8.821 -5.143 1.00 0.36 C ATOM 651 O ALA A 41 11.543 -9.427 -4.080 1.00 0.76 O ATOM 652 CB ALA A 41 13.436 -7.456 -3.925 1.00 0.46 C ATOM 0 H ALA A 41 12.220 -6.129 -6.598 1.00 0.33 H new ATOM 0 HA ALA A 41 13.412 -7.902 -6.016 1.00 0.37 H new ATOM 0 HB1 ALA A 41 13.926 -8.388 -3.643 1.00 0.46 H new ATOM 0 HB2 ALA A 41 14.185 -6.674 -4.046 1.00 0.46 H new ATOM 0 HB3 ALA A 41 12.731 -7.166 -3.146 1.00 0.46 H new ATOM 658 N GLU A 42 11.073 -9.137 -6.266 1.00 0.35 N ATOM 659 CA GLU A 42 10.121 -10.240 -6.333 1.00 0.30 C ATOM 660 C GLU A 42 9.831 -10.613 -7.785 1.00 0.33 C ATOM 661 O GLU A 42 10.213 -9.888 -8.709 1.00 0.51 O ATOM 662 CB GLU A 42 8.814 -9.884 -5.617 1.00 0.32 C ATOM 663 CG GLU A 42 8.702 -10.449 -4.208 1.00 0.54 C ATOM 664 CD GLU A 42 8.823 -11.967 -4.149 1.00 0.76 C ATOM 665 OE1 GLU A 42 8.880 -12.622 -5.216 1.00 1.01 O ATOM 666 OE2 GLU A 42 8.858 -12.514 -3.026 1.00 1.05 O ATOM 0 H GLU A 42 11.200 -8.640 -7.148 1.00 0.35 H new ATOM 0 HA GLU A 42 10.570 -11.096 -5.830 1.00 0.30 H new ATOM 0 HB2 GLU A 42 8.722 -8.799 -5.570 1.00 0.32 H new ATOM 0 HB3 GLU A 42 7.976 -10.249 -6.211 1.00 0.32 H new ATOM 0 HG2 GLU A 42 9.479 -10.006 -3.585 1.00 0.54 H new ATOM 0 HG3 GLU A 42 7.744 -10.152 -3.781 1.00 0.54 H new ATOM 673 N SER A 43 9.158 -11.743 -7.980 1.00 0.31 N ATOM 674 CA SER A 43 8.816 -12.217 -9.321 1.00 0.38 C ATOM 675 C SER A 43 7.562 -11.513 -9.844 1.00 0.34 C ATOM 676 O SER A 43 6.777 -10.974 -9.063 1.00 0.61 O ATOM 677 CB SER A 43 8.615 -13.737 -9.311 1.00 0.52 C ATOM 678 OG SER A 43 8.832 -14.269 -8.012 1.00 1.04 O ATOM 0 H SER A 43 8.837 -12.350 -7.226 1.00 0.31 H new ATOM 0 HA SER A 43 9.642 -11.978 -9.991 1.00 0.38 H new ATOM 0 HB2 SER A 43 7.604 -13.976 -9.642 1.00 0.52 H new ATOM 0 HB3 SER A 43 9.301 -14.203 -10.018 1.00 0.52 H new ATOM 0 HG SER A 43 8.021 -14.726 -7.706 1.00 1.04 H new ATOM 684 N VAL A 44 7.378 -11.534 -11.167 1.00 0.39 N ATOM 685 CA VAL A 44 6.232 -10.889 -11.817 1.00 0.39 C ATOM 686 C VAL A 44 4.969 -10.946 -10.953 1.00 0.36 C ATOM 687 O VAL A 44 4.496 -12.029 -10.585 1.00 0.59 O ATOM 688 CB VAL A 44 5.935 -11.521 -13.197 1.00 0.52 C ATOM 689 CG1 VAL A 44 5.672 -13.020 -13.074 1.00 0.60 C ATOM 690 CG2 VAL A 44 4.763 -10.817 -13.870 1.00 0.58 C ATOM 0 H VAL A 44 8.015 -11.996 -11.816 1.00 0.39 H new ATOM 0 HA VAL A 44 6.510 -9.844 -11.953 1.00 0.39 H new ATOM 0 HB VAL A 44 6.818 -11.390 -13.823 1.00 0.52 H new ATOM 0 HG11 VAL A 44 5.466 -13.435 -14.061 1.00 0.60 H new ATOM 0 HG12 VAL A 44 6.549 -13.510 -12.650 1.00 0.60 H new ATOM 0 HG13 VAL A 44 4.813 -13.187 -12.424 1.00 0.60 H new ATOM 0 HG21 VAL A 44 4.570 -11.277 -14.839 1.00 0.58 H new ATOM 0 HG22 VAL A 44 3.876 -10.907 -13.243 1.00 0.58 H new ATOM 0 HG23 VAL A 44 5.003 -9.763 -14.010 1.00 0.58 H new ATOM 700 N GLY A 45 4.433 -9.772 -10.630 1.00 0.32 N ATOM 701 CA GLY A 45 3.230 -9.691 -9.821 1.00 0.33 C ATOM 702 C GLY A 45 3.531 -9.547 -8.342 1.00 0.28 C ATOM 703 O GLY A 45 2.970 -8.678 -7.672 1.00 0.33 O ATOM 0 H GLY A 45 4.814 -8.870 -10.917 1.00 0.32 H new ATOM 0 HA2 GLY A 45 2.631 -8.842 -10.151 1.00 0.33 H new ATOM 0 HA3 GLY A 45 2.628 -10.586 -9.980 1.00 0.33 H new ATOM 707 N GLU A 46 4.422 -10.391 -7.835 1.00 0.27 N ATOM 708 CA GLU A 46 4.786 -10.364 -6.427 1.00 0.28 C ATOM 709 C GLU A 46 5.619 -9.127 -6.124 1.00 0.24 C ATOM 710 O GLU A 46 6.499 -8.762 -6.904 1.00 0.31 O ATOM 711 CB GLU A 46 5.568 -11.627 -6.056 1.00 0.39 C ATOM 712 CG GLU A 46 4.825 -12.916 -6.364 1.00 0.51 C ATOM 713 CD GLU A 46 5.695 -14.142 -6.197 1.00 0.64 C ATOM 714 OE1 GLU A 46 6.538 -14.401 -7.076 1.00 0.86 O ATOM 715 OE2 GLU A 46 5.531 -14.864 -5.193 1.00 0.82 O ATOM 0 H GLU A 46 4.906 -11.104 -8.381 1.00 0.27 H new ATOM 0 HA GLU A 46 3.873 -10.329 -5.832 1.00 0.28 H new ATOM 0 HB2 GLU A 46 6.517 -11.627 -6.593 1.00 0.39 H new ATOM 0 HB3 GLU A 46 5.804 -11.599 -4.992 1.00 0.39 H new ATOM 0 HG2 GLU A 46 3.959 -12.998 -5.708 1.00 0.51 H new ATOM 0 HG3 GLU A 46 4.448 -12.879 -7.386 1.00 0.51 H new ATOM 722 N VAL A 47 5.329 -8.472 -5.008 1.00 0.22 N ATOM 723 CA VAL A 47 6.069 -7.281 -4.621 1.00 0.25 C ATOM 724 C VAL A 47 6.265 -7.207 -3.111 1.00 0.23 C ATOM 725 O VAL A 47 5.370 -7.551 -2.331 1.00 0.29 O ATOM 726 CB VAL A 47 5.372 -5.989 -5.101 1.00 0.32 C ATOM 727 CG1 VAL A 47 5.400 -5.898 -6.617 1.00 0.35 C ATOM 728 CG2 VAL A 47 3.939 -5.925 -4.594 1.00 0.35 C ATOM 0 H VAL A 47 4.591 -8.744 -4.359 1.00 0.22 H new ATOM 0 HA VAL A 47 7.042 -7.359 -5.105 1.00 0.25 H new ATOM 0 HB VAL A 47 5.918 -5.139 -4.691 1.00 0.32 H new ATOM 0 HG11 VAL A 47 4.904 -4.981 -6.936 1.00 0.35 H new ATOM 0 HG12 VAL A 47 6.434 -5.890 -6.962 1.00 0.35 H new ATOM 0 HG13 VAL A 47 4.882 -6.757 -7.043 1.00 0.35 H new ATOM 0 HG21 VAL A 47 3.469 -5.006 -4.945 1.00 0.35 H new ATOM 0 HG22 VAL A 47 3.382 -6.784 -4.969 1.00 0.35 H new ATOM 0 HG23 VAL A 47 3.938 -5.939 -3.504 1.00 0.35 H new ATOM 738 N TYR A 48 7.452 -6.772 -2.715 1.00 0.22 N ATOM 739 CA TYR A 48 7.801 -6.614 -1.314 1.00 0.22 C ATOM 740 C TYR A 48 7.869 -5.124 -0.996 1.00 0.22 C ATOM 741 O TYR A 48 8.578 -4.373 -1.674 1.00 0.29 O ATOM 742 CB TYR A 48 9.139 -7.302 -1.027 1.00 0.25 C ATOM 743 CG TYR A 48 9.645 -7.119 0.386 1.00 0.35 C ATOM 744 CD1 TYR A 48 10.422 -6.018 0.723 1.00 0.58 C ATOM 745 CD2 TYR A 48 9.355 -8.047 1.379 1.00 0.49 C ATOM 746 CE1 TYR A 48 10.895 -5.847 2.008 1.00 0.74 C ATOM 747 CE2 TYR A 48 9.825 -7.882 2.668 1.00 0.66 C ATOM 748 CZ TYR A 48 10.596 -6.779 2.977 1.00 0.72 C ATOM 749 OH TYR A 48 11.074 -6.608 4.260 1.00 0.92 O ATOM 0 H TYR A 48 8.201 -6.518 -3.359 1.00 0.22 H new ATOM 0 HA TYR A 48 7.046 -7.081 -0.681 1.00 0.22 H new ATOM 0 HB2 TYR A 48 9.036 -8.368 -1.228 1.00 0.25 H new ATOM 0 HB3 TYR A 48 9.887 -6.918 -1.720 1.00 0.25 H new ATOM 0 HD1 TYR A 48 10.660 -5.284 -0.033 1.00 0.58 H new ATOM 0 HD2 TYR A 48 8.753 -8.911 1.139 1.00 0.49 H new ATOM 0 HE1 TYR A 48 11.498 -4.985 2.253 1.00 0.74 H new ATOM 0 HE2 TYR A 48 9.591 -8.611 3.429 1.00 0.66 H new ATOM 0 HH TYR A 48 10.385 -6.874 4.904 1.00 0.92 H new ATOM 759 N ILE A 49 7.119 -4.698 0.014 1.00 0.21 N ATOM 760 CA ILE A 49 7.072 -3.291 0.393 1.00 0.22 C ATOM 761 C ILE A 49 7.893 -3.015 1.651 1.00 0.23 C ATOM 762 O ILE A 49 7.561 -3.479 2.741 1.00 0.37 O ATOM 763 CB ILE A 49 5.619 -2.820 0.615 1.00 0.26 C ATOM 764 CG1 ILE A 49 4.774 -3.087 -0.636 1.00 0.31 C ATOM 765 CG2 ILE A 49 5.588 -1.341 0.976 1.00 0.30 C ATOM 766 CD1 ILE A 49 3.315 -2.714 -0.477 1.00 0.38 C ATOM 0 H ILE A 49 6.535 -5.308 0.586 1.00 0.21 H new ATOM 0 HA ILE A 49 7.507 -2.730 -0.435 1.00 0.22 H new ATOM 0 HB ILE A 49 5.194 -3.385 1.445 1.00 0.26 H new ATOM 0 HG12 ILE A 49 5.193 -2.528 -1.473 1.00 0.31 H new ATOM 0 HG13 ILE A 49 4.844 -4.144 -0.892 1.00 0.31 H new ATOM 0 HG21 ILE A 49 4.556 -1.025 1.129 1.00 0.30 H new ATOM 0 HG22 ILE A 49 6.157 -1.178 1.891 1.00 0.30 H new ATOM 0 HG23 ILE A 49 6.029 -0.760 0.166 1.00 0.30 H new ATOM 0 HD11 ILE A 49 2.781 -2.931 -1.402 1.00 0.38 H new ATOM 0 HD12 ILE A 49 2.879 -3.291 0.338 1.00 0.38 H new ATOM 0 HD13 ILE A 49 3.234 -1.651 -0.252 1.00 0.38 H new ATOM 778 N LYS A 50 8.963 -2.252 1.485 1.00 0.21 N ATOM 779 CA LYS A 50 9.834 -1.891 2.593 1.00 0.25 C ATOM 780 C LYS A 50 9.620 -0.425 2.964 1.00 0.21 C ATOM 781 O LYS A 50 9.975 0.481 2.199 1.00 0.26 O ATOM 782 CB LYS A 50 11.302 -2.140 2.221 1.00 0.34 C ATOM 783 CG LYS A 50 12.302 -1.571 3.221 1.00 0.49 C ATOM 784 CD LYS A 50 12.528 -2.505 4.403 1.00 0.73 C ATOM 785 CE LYS A 50 13.189 -3.816 3.987 1.00 1.35 C ATOM 786 NZ LYS A 50 14.375 -3.606 3.109 1.00 1.74 N ATOM 0 H LYS A 50 9.251 -1.868 0.585 1.00 0.21 H new ATOM 0 HA LYS A 50 9.588 -2.513 3.454 1.00 0.25 H new ATOM 0 HB2 LYS A 50 11.466 -3.214 2.131 1.00 0.34 H new ATOM 0 HB3 LYS A 50 11.496 -1.704 1.241 1.00 0.34 H new ATOM 0 HG2 LYS A 50 13.252 -1.387 2.718 1.00 0.49 H new ATOM 0 HG3 LYS A 50 11.942 -0.608 3.584 1.00 0.49 H new ATOM 0 HD2 LYS A 50 13.152 -2.005 5.144 1.00 0.73 H new ATOM 0 HD3 LYS A 50 11.573 -2.718 4.882 1.00 0.73 H new ATOM 0 HE2 LYS A 50 13.494 -4.364 4.879 1.00 1.35 H new ATOM 0 HE3 LYS A 50 12.460 -4.437 3.465 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 14.904 -4.497 3.021 1.00 1.74 H new ATOM 0 HZ2 LYS A 50 14.060 -3.296 2.168 1.00 1.74 H new ATOM 0 HZ3 LYS A 50 14.990 -2.878 3.525 1.00 1.74 H new ATOM 800 N SER A 51 9.013 -0.197 4.118 1.00 0.24 N ATOM 801 CA SER A 51 8.756 1.149 4.596 1.00 0.25 C ATOM 802 C SER A 51 9.917 1.624 5.464 1.00 0.25 C ATOM 803 O SER A 51 10.158 1.067 6.533 1.00 0.33 O ATOM 804 CB SER A 51 7.447 1.175 5.389 1.00 0.32 C ATOM 805 OG SER A 51 7.291 -0.014 6.150 1.00 0.53 O ATOM 0 H SER A 51 8.688 -0.934 4.744 1.00 0.24 H new ATOM 0 HA SER A 51 8.663 1.823 3.744 1.00 0.25 H new ATOM 0 HB2 SER A 51 7.436 2.040 6.052 1.00 0.32 H new ATOM 0 HB3 SER A 51 6.605 1.287 4.705 1.00 0.32 H new ATOM 0 HG SER A 51 6.449 0.026 6.650 1.00 0.53 H new ATOM 811 N THR A 52 10.637 2.642 4.995 1.00 0.24 N ATOM 812 CA THR A 52 11.779 3.187 5.721 1.00 0.28 C ATOM 813 C THR A 52 12.999 2.283 5.541 1.00 0.28 C ATOM 814 O THR A 52 12.910 1.071 5.733 1.00 0.34 O ATOM 815 CB THR A 52 11.479 3.363 7.230 1.00 0.32 C ATOM 816 OG1 THR A 52 10.287 4.152 7.415 1.00 0.35 O ATOM 817 CG2 THR A 52 12.648 4.028 7.944 1.00 0.38 C ATOM 0 H THR A 52 10.446 3.108 4.108 1.00 0.24 H new ATOM 0 HA THR A 52 11.986 4.173 5.305 1.00 0.28 H new ATOM 0 HB THR A 52 11.326 2.373 7.659 1.00 0.32 H new ATOM 0 HG1 THR A 52 10.452 4.840 8.093 1.00 0.35 H new ATOM 0 HG21 THR A 52 12.412 4.140 9.002 1.00 0.38 H new ATOM 0 HG22 THR A 52 13.540 3.411 7.835 1.00 0.38 H new ATOM 0 HG23 THR A 52 12.830 5.010 7.507 1.00 0.38 H new ATOM 825 N GLU A 53 14.134 2.878 5.154 1.00 0.31 N ATOM 826 CA GLU A 53 15.371 2.120 4.946 1.00 0.35 C ATOM 827 C GLU A 53 15.550 1.088 6.058 1.00 0.31 C ATOM 828 O GLU A 53 15.742 -0.100 5.794 1.00 0.37 O ATOM 829 CB GLU A 53 16.573 3.072 4.906 1.00 0.43 C ATOM 830 CG GLU A 53 17.877 2.408 4.483 1.00 0.47 C ATOM 831 CD GLU A 53 17.935 2.107 2.997 1.00 0.57 C ATOM 832 OE1 GLU A 53 17.920 3.059 2.186 1.00 0.73 O ATOM 833 OE2 GLU A 53 18.013 0.917 2.629 1.00 0.74 O ATOM 0 H GLU A 53 14.220 3.879 4.979 1.00 0.31 H new ATOM 0 HA GLU A 53 15.307 1.597 3.992 1.00 0.35 H new ATOM 0 HB2 GLU A 53 16.354 3.889 4.218 1.00 0.43 H new ATOM 0 HB3 GLU A 53 16.706 3.514 5.893 1.00 0.43 H new ATOM 0 HG2 GLU A 53 18.712 3.057 4.749 1.00 0.47 H new ATOM 0 HG3 GLU A 53 18.004 1.480 5.041 1.00 0.47 H new ATOM 840 N THR A 54 15.466 1.557 7.299 1.00 0.28 N ATOM 841 CA THR A 54 15.593 0.695 8.464 1.00 0.31 C ATOM 842 C THR A 54 14.783 1.273 9.625 1.00 0.33 C ATOM 843 O THR A 54 14.820 2.484 9.866 1.00 0.52 O ATOM 844 CB THR A 54 17.069 0.542 8.896 1.00 0.40 C ATOM 845 OG1 THR A 54 17.943 0.999 7.852 1.00 0.63 O ATOM 846 CG2 THR A 54 17.390 -0.909 9.227 1.00 0.68 C ATOM 0 H THR A 54 15.309 2.540 7.522 1.00 0.28 H new ATOM 0 HA THR A 54 15.211 -0.290 8.195 1.00 0.31 H new ATOM 0 HB THR A 54 17.222 1.148 9.789 1.00 0.40 H new ATOM 0 HG1 THR A 54 18.875 0.898 8.138 1.00 0.63 H new ATOM 0 HG21 THR A 54 18.434 -0.991 9.528 1.00 0.68 H new ATOM 0 HG22 THR A 54 16.750 -1.247 10.042 1.00 0.68 H new ATOM 0 HG23 THR A 54 17.216 -1.530 8.348 1.00 0.68 H new ATOM 854 N GLY A 55 14.034 0.422 10.322 1.00 0.39 N ATOM 855 CA GLY A 55 13.237 0.886 11.450 1.00 0.44 C ATOM 856 C GLY A 55 11.750 0.576 11.323 1.00 0.42 C ATOM 857 O GLY A 55 11.002 0.731 12.293 1.00 0.76 O ATOM 0 H GLY A 55 13.963 -0.577 10.129 1.00 0.39 H new ATOM 0 HA2 GLY A 55 13.617 0.429 12.364 1.00 0.44 H new ATOM 0 HA3 GLY A 55 13.366 1.963 11.555 1.00 0.44 H new ATOM 861 N GLN A 56 11.308 0.143 10.145 1.00 0.34 N ATOM 862 CA GLN A 56 9.899 -0.176 9.933 1.00 0.30 C ATOM 863 C GLN A 56 9.750 -1.416 9.055 1.00 0.27 C ATOM 864 O GLN A 56 10.733 -1.922 8.509 1.00 0.38 O ATOM 865 CB GLN A 56 9.166 1.015 9.309 1.00 0.37 C ATOM 866 CG GLN A 56 8.887 2.145 10.288 1.00 0.49 C ATOM 867 CD GLN A 56 7.904 1.750 11.376 1.00 0.76 C ATOM 868 OE1 GLN A 56 6.694 1.920 11.227 1.00 1.02 O ATOM 869 NE2 GLN A 56 8.418 1.223 12.477 1.00 0.89 N ATOM 0 H GLN A 56 11.901 0.006 9.327 1.00 0.34 H new ATOM 0 HA GLN A 56 9.449 -0.389 10.903 1.00 0.30 H new ATOM 0 HB2 GLN A 56 9.760 1.402 8.481 1.00 0.37 H new ATOM 0 HB3 GLN A 56 8.222 0.669 8.889 1.00 0.37 H new ATOM 0 HG2 GLN A 56 9.823 2.461 10.748 1.00 0.49 H new ATOM 0 HG3 GLN A 56 8.494 3.003 9.743 1.00 0.49 H new ATOM 0 HE21 GLN A 56 9.427 1.099 12.560 1.00 0.89 H new ATOM 0 HE22 GLN A 56 7.805 0.941 13.242 1.00 0.89 H new ATOM 878 N TYR A 57 8.520 -1.902 8.934 1.00 0.24 N ATOM 879 CA TYR A 57 8.225 -3.086 8.139 1.00 0.23 C ATOM 880 C TYR A 57 6.753 -3.090 7.727 1.00 0.25 C ATOM 881 O TYR A 57 5.873 -3.312 8.555 1.00 0.42 O ATOM 882 CB TYR A 57 8.550 -4.337 8.954 1.00 0.26 C ATOM 883 CG TYR A 57 8.512 -5.630 8.169 1.00 0.35 C ATOM 884 CD1 TYR A 57 7.323 -6.326 7.991 1.00 0.54 C ATOM 885 CD2 TYR A 57 9.673 -6.165 7.624 1.00 0.53 C ATOM 886 CE1 TYR A 57 7.292 -7.517 7.289 1.00 0.73 C ATOM 887 CE2 TYR A 57 9.650 -7.357 6.928 1.00 0.73 C ATOM 888 CZ TYR A 57 8.459 -8.028 6.762 1.00 0.79 C ATOM 889 OH TYR A 57 8.439 -9.223 6.079 1.00 1.03 O ATOM 0 H TYR A 57 7.703 -1.488 9.383 1.00 0.24 H new ATOM 0 HA TYR A 57 8.836 -3.077 7.236 1.00 0.23 H new ATOM 0 HB2 TYR A 57 9.542 -4.222 9.391 1.00 0.26 H new ATOM 0 HB3 TYR A 57 7.844 -4.409 9.781 1.00 0.26 H new ATOM 0 HD1 TYR A 57 6.408 -5.931 8.407 1.00 0.54 H new ATOM 0 HD2 TYR A 57 10.609 -5.640 7.747 1.00 0.53 H new ATOM 0 HE1 TYR A 57 6.359 -8.044 7.154 1.00 0.73 H new ATOM 0 HE2 TYR A 57 10.562 -7.762 6.515 1.00 0.73 H new ATOM 0 HH TYR A 57 9.344 -9.440 5.772 1.00 1.03 H new ATOM 899 N LEU A 58 6.492 -2.831 6.452 1.00 0.20 N ATOM 900 CA LEU A 58 5.125 -2.794 5.947 1.00 0.22 C ATOM 901 C LEU A 58 4.539 -4.200 5.857 1.00 0.23 C ATOM 902 O LEU A 58 5.070 -5.063 5.150 1.00 0.30 O ATOM 903 CB LEU A 58 5.082 -2.106 4.575 1.00 0.27 C ATOM 904 CG LEU A 58 3.722 -1.527 4.166 1.00 0.32 C ATOM 905 CD1 LEU A 58 2.723 -2.636 3.877 1.00 0.39 C ATOM 906 CD2 LEU A 58 3.188 -0.593 5.244 1.00 0.38 C ATOM 0 H LEU A 58 7.207 -2.644 5.750 1.00 0.20 H new ATOM 0 HA LEU A 58 4.518 -2.219 6.646 1.00 0.22 H new ATOM 0 HB2 LEU A 58 5.816 -1.300 4.569 1.00 0.27 H new ATOM 0 HB3 LEU A 58 5.393 -2.826 3.818 1.00 0.27 H new ATOM 0 HG LEU A 58 3.863 -0.951 3.251 1.00 0.32 H new ATOM 0 HD11 LEU A 58 1.767 -2.199 3.589 1.00 0.39 H new ATOM 0 HD12 LEU A 58 3.096 -3.259 3.064 1.00 0.39 H new ATOM 0 HD13 LEU A 58 2.589 -3.246 4.770 1.00 0.39 H new ATOM 0 HD21 LEU A 58 2.223 -0.193 4.934 1.00 0.38 H new ATOM 0 HD22 LEU A 58 3.070 -1.144 6.177 1.00 0.38 H new ATOM 0 HD23 LEU A 58 3.889 0.228 5.394 1.00 0.38 H new ATOM 918 N ALA A 59 3.451 -4.426 6.583 1.00 0.23 N ATOM 919 CA ALA A 59 2.781 -5.718 6.587 1.00 0.27 C ATOM 920 C ALA A 59 1.265 -5.544 6.676 1.00 0.24 C ATOM 921 O ALA A 59 0.772 -4.527 7.181 1.00 0.26 O ATOM 922 CB ALA A 59 3.289 -6.569 7.743 1.00 0.35 C ATOM 0 H ALA A 59 3.012 -3.725 7.180 1.00 0.23 H new ATOM 0 HA ALA A 59 3.008 -6.227 5.650 1.00 0.27 H new ATOM 0 HB1 ALA A 59 2.781 -7.533 7.736 1.00 0.35 H new ATOM 0 HB2 ALA A 59 4.363 -6.724 7.636 1.00 0.35 H new ATOM 0 HB3 ALA A 59 3.088 -6.060 8.686 1.00 0.35 H new ATOM 928 N MET A 60 0.529 -6.532 6.175 1.00 0.28 N ATOM 929 CA MET A 60 -0.928 -6.490 6.206 1.00 0.30 C ATOM 930 C MET A 60 -1.454 -7.311 7.381 1.00 0.26 C ATOM 931 O MET A 60 -1.183 -8.510 7.481 1.00 0.44 O ATOM 932 CB MET A 60 -1.522 -7.005 4.886 1.00 0.40 C ATOM 933 CG MET A 60 -1.426 -8.513 4.698 1.00 0.73 C ATOM 934 SD MET A 60 -2.036 -9.058 3.087 1.00 0.93 S ATOM 935 CE MET A 60 -3.656 -8.288 3.055 1.00 1.97 C ATOM 0 H MET A 60 0.918 -7.370 5.743 1.00 0.28 H new ATOM 0 HA MET A 60 -1.237 -5.452 6.334 1.00 0.30 H new ATOM 0 HB2 MET A 60 -2.570 -6.711 4.834 1.00 0.40 H new ATOM 0 HB3 MET A 60 -1.012 -6.515 4.057 1.00 0.40 H new ATOM 0 HG2 MET A 60 -0.387 -8.823 4.812 1.00 0.73 H new ATOM 0 HG3 MET A 60 -1.995 -9.009 5.484 1.00 0.73 H new ATOM 0 HE1 MET A 60 -4.244 -8.712 2.241 1.00 1.97 H new ATOM 0 HE2 MET A 60 -4.164 -8.470 4.002 1.00 1.97 H new ATOM 0 HE3 MET A 60 -3.546 -7.214 2.902 1.00 1.97 H new ATOM 945 N ASP A 61 -2.186 -6.661 8.276 1.00 0.30 N ATOM 946 CA ASP A 61 -2.744 -7.334 9.442 1.00 0.31 C ATOM 947 C ASP A 61 -3.878 -8.269 9.029 1.00 0.29 C ATOM 948 O ASP A 61 -4.646 -7.959 8.114 1.00 0.34 O ATOM 949 CB ASP A 61 -3.251 -6.312 10.462 1.00 0.42 C ATOM 950 CG ASP A 61 -3.777 -6.967 11.722 1.00 0.68 C ATOM 951 OD1 ASP A 61 -4.978 -7.296 11.764 1.00 0.96 O ATOM 952 OD2 ASP A 61 -2.993 -7.143 12.676 1.00 0.94 O ATOM 0 H ASP A 61 -2.408 -5.667 8.217 1.00 0.30 H new ATOM 0 HA ASP A 61 -1.954 -7.925 9.904 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -2.442 -5.629 10.721 1.00 0.42 H new ATOM 0 HB3 ASP A 61 -4.041 -5.713 10.010 1.00 0.42 H new ATOM 957 N THR A 62 -3.984 -9.407 9.708 1.00 0.37 N ATOM 958 CA THR A 62 -5.016 -10.397 9.411 1.00 0.44 C ATOM 959 C THR A 62 -6.414 -9.764 9.336 1.00 0.41 C ATOM 960 O THR A 62 -7.260 -10.206 8.554 1.00 0.50 O ATOM 961 CB THR A 62 -5.009 -11.534 10.462 1.00 0.59 C ATOM 962 OG1 THR A 62 -5.831 -12.630 10.031 1.00 0.85 O ATOM 963 CG2 THR A 62 -5.494 -11.032 11.816 1.00 0.74 C ATOM 0 H THR A 62 -3.363 -9.669 10.474 1.00 0.37 H new ATOM 0 HA THR A 62 -4.782 -10.815 8.432 1.00 0.44 H new ATOM 0 HB THR A 62 -3.980 -11.880 10.565 1.00 0.59 H new ATOM 0 HG1 THR A 62 -5.812 -13.339 10.708 1.00 0.85 H new ATOM 0 HG21 THR A 62 -5.479 -11.851 12.535 1.00 0.74 H new ATOM 0 HG22 THR A 62 -4.840 -10.232 12.163 1.00 0.74 H new ATOM 0 HG23 THR A 62 -6.511 -10.652 11.720 1.00 0.74 H new ATOM 971 N ASP A 63 -6.654 -8.733 10.145 1.00 0.36 N ATOM 972 CA ASP A 63 -7.949 -8.055 10.156 1.00 0.41 C ATOM 973 C ASP A 63 -8.149 -7.232 8.883 1.00 0.40 C ATOM 974 O ASP A 63 -9.280 -6.947 8.488 1.00 0.65 O ATOM 975 CB ASP A 63 -8.061 -7.149 11.383 1.00 0.47 C ATOM 976 CG ASP A 63 -9.400 -6.443 11.473 1.00 0.62 C ATOM 977 OD1 ASP A 63 -9.549 -5.358 10.876 1.00 0.75 O ATOM 978 OD2 ASP A 63 -10.308 -6.968 12.154 1.00 0.82 O ATOM 0 H ASP A 63 -5.971 -8.350 10.799 1.00 0.36 H new ATOM 0 HA ASP A 63 -8.728 -8.817 10.199 1.00 0.41 H new ATOM 0 HB2 ASP A 63 -7.908 -7.744 12.283 1.00 0.47 H new ATOM 0 HB3 ASP A 63 -7.265 -6.405 11.354 1.00 0.47 H new ATOM 983 N GLY A 64 -7.043 -6.879 8.229 1.00 0.45 N ATOM 984 CA GLY A 64 -7.106 -6.079 7.022 1.00 0.50 C ATOM 985 C GLY A 64 -6.403 -4.738 7.173 1.00 0.43 C ATOM 986 O GLY A 64 -6.319 -3.968 6.214 1.00 0.64 O ATOM 0 H GLY A 64 -6.100 -7.137 8.519 1.00 0.45 H new ATOM 0 HA2 GLY A 64 -6.653 -6.632 6.199 1.00 0.50 H new ATOM 0 HA3 GLY A 64 -8.150 -5.910 6.756 1.00 0.50 H new ATOM 990 N LEU A 65 -5.891 -4.466 8.371 1.00 0.40 N ATOM 991 CA LEU A 65 -5.196 -3.218 8.652 1.00 0.34 C ATOM 992 C LEU A 65 -3.760 -3.269 8.125 1.00 0.33 C ATOM 993 O LEU A 65 -3.032 -4.233 8.371 1.00 0.60 O ATOM 994 CB LEU A 65 -5.209 -2.948 10.165 1.00 0.37 C ATOM 995 CG LEU A 65 -4.732 -1.557 10.609 1.00 0.71 C ATOM 996 CD1 LEU A 65 -3.212 -1.463 10.560 1.00 1.23 C ATOM 997 CD2 LEU A 65 -5.366 -0.466 9.751 1.00 1.16 C ATOM 0 H LEU A 65 -5.947 -5.101 9.167 1.00 0.40 H new ATOM 0 HA LEU A 65 -5.711 -2.404 8.143 1.00 0.34 H new ATOM 0 HB2 LEU A 65 -6.225 -3.095 10.531 1.00 0.37 H new ATOM 0 HB3 LEU A 65 -4.584 -3.696 10.652 1.00 0.37 H new ATOM 0 HG LEU A 65 -5.049 -1.406 11.641 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -2.898 -0.469 10.879 1.00 1.23 H new ATOM 0 HD12 LEU A 65 -2.780 -2.211 11.225 1.00 1.23 H new ATOM 0 HD13 LEU A 65 -2.869 -1.642 9.541 1.00 1.23 H new ATOM 0 HD21 LEU A 65 -5.013 0.510 10.084 1.00 1.16 H new ATOM 0 HD22 LEU A 65 -5.088 -0.616 8.708 1.00 1.16 H new ATOM 0 HD23 LEU A 65 -6.451 -0.512 9.847 1.00 1.16 H new ATOM 1009 N LEU A 66 -3.367 -2.236 7.389 1.00 0.37 N ATOM 1010 CA LEU A 66 -2.018 -2.153 6.841 1.00 0.36 C ATOM 1011 C LEU A 66 -1.125 -1.412 7.825 1.00 0.34 C ATOM 1012 O LEU A 66 -1.372 -0.241 8.130 1.00 0.45 O ATOM 1013 CB LEU A 66 -2.021 -1.432 5.487 1.00 0.41 C ATOM 1014 CG LEU A 66 -2.659 -2.204 4.326 1.00 0.50 C ATOM 1015 CD1 LEU A 66 -4.160 -2.344 4.535 1.00 0.57 C ATOM 1016 CD2 LEU A 66 -2.361 -1.515 2.999 1.00 0.61 C ATOM 0 H LEU A 66 -3.965 -1.443 7.157 1.00 0.37 H new ATOM 0 HA LEU A 66 -1.637 -3.162 6.684 1.00 0.36 H new ATOM 0 HB2 LEU A 66 -2.547 -0.484 5.602 1.00 0.41 H new ATOM 0 HB3 LEU A 66 -0.991 -1.195 5.220 1.00 0.41 H new ATOM 0 HG LEU A 66 -2.225 -3.204 4.298 1.00 0.50 H new ATOM 0 HD11 LEU A 66 -4.594 -2.895 3.700 1.00 0.57 H new ATOM 0 HD12 LEU A 66 -4.349 -2.883 5.463 1.00 0.57 H new ATOM 0 HD13 LEU A 66 -4.613 -1.354 4.591 1.00 0.57 H new ATOM 0 HD21 LEU A 66 -2.821 -2.076 2.186 1.00 0.61 H new ATOM 0 HD22 LEU A 66 -2.765 -0.503 3.016 1.00 0.61 H new ATOM 0 HD23 LEU A 66 -1.283 -1.472 2.845 1.00 0.61 H new ATOM 1028 N TYR A 67 -0.099 -2.088 8.327 1.00 0.28 N ATOM 1029 CA TYR A 67 0.807 -1.482 9.295 1.00 0.33 C ATOM 1030 C TYR A 67 2.263 -1.628 8.867 1.00 0.30 C ATOM 1031 O TYR A 67 2.630 -2.593 8.195 1.00 0.32 O ATOM 1032 CB TYR A 67 0.601 -2.103 10.682 1.00 0.43 C ATOM 1033 CG TYR A 67 0.955 -3.575 10.770 1.00 0.41 C ATOM 1034 CD1 TYR A 67 0.083 -4.551 10.302 1.00 0.45 C ATOM 1035 CD2 TYR A 67 2.157 -3.986 11.333 1.00 0.55 C ATOM 1036 CE1 TYR A 67 0.399 -5.893 10.391 1.00 0.55 C ATOM 1037 CE2 TYR A 67 2.482 -5.325 11.424 1.00 0.65 C ATOM 1038 CZ TYR A 67 1.599 -6.276 10.952 1.00 0.63 C ATOM 1039 OH TYR A 67 1.915 -7.615 11.044 1.00 0.80 O ATOM 0 H TYR A 67 0.126 -3.052 8.081 1.00 0.28 H new ATOM 0 HA TYR A 67 0.576 -0.418 9.342 1.00 0.33 H new ATOM 0 HB2 TYR A 67 1.203 -1.553 11.405 1.00 0.43 H new ATOM 0 HB3 TYR A 67 -0.442 -1.975 10.972 1.00 0.43 H new ATOM 0 HD1 TYR A 67 -0.858 -4.255 9.861 1.00 0.45 H new ATOM 0 HD2 TYR A 67 2.849 -3.245 11.706 1.00 0.55 H new ATOM 0 HE1 TYR A 67 -0.290 -6.638 10.023 1.00 0.55 H new ATOM 0 HE2 TYR A 67 3.422 -5.627 11.862 1.00 0.65 H new ATOM 0 HH TYR A 67 2.795 -7.715 11.463 1.00 0.80 H new ATOM 1049 N GLY A 68 3.080 -0.654 9.258 1.00 0.34 N ATOM 1050 CA GLY A 68 4.496 -0.675 8.934 1.00 0.38 C ATOM 1051 C GLY A 68 5.361 -1.011 10.138 1.00 0.52 C ATOM 1052 O GLY A 68 6.579 -0.824 10.105 1.00 1.27 O ATOM 0 H GLY A 68 2.782 0.158 9.799 1.00 0.34 H new ATOM 0 HA2 GLY A 68 4.675 -1.407 8.146 1.00 0.38 H new ATOM 0 HA3 GLY A 68 4.790 0.297 8.539 1.00 0.38 H new ATOM 1056 N SER A 69 4.736 -1.506 11.206 1.00 0.36 N ATOM 1057 CA SER A 69 5.458 -1.872 12.416 1.00 0.39 C ATOM 1058 C SER A 69 6.435 -3.010 12.125 1.00 0.32 C ATOM 1059 O SER A 69 6.068 -4.007 11.501 1.00 0.37 O ATOM 1060 CB SER A 69 4.470 -2.283 13.511 1.00 0.51 C ATOM 1061 OG SER A 69 3.282 -1.507 13.438 1.00 1.23 O ATOM 0 H SER A 69 3.729 -1.662 11.254 1.00 0.36 H new ATOM 0 HA SER A 69 6.026 -1.009 12.763 1.00 0.39 H new ATOM 0 HB2 SER A 69 4.226 -3.340 13.408 1.00 0.51 H new ATOM 0 HB3 SER A 69 4.932 -2.157 14.490 1.00 0.51 H new ATOM 0 HG SER A 69 2.664 -1.787 14.145 1.00 1.23 H new ATOM 1067 N GLN A 70 7.676 -2.856 12.572 1.00 0.31 N ATOM 1068 CA GLN A 70 8.703 -3.863 12.340 1.00 0.33 C ATOM 1069 C GLN A 70 8.268 -5.238 12.851 1.00 0.32 C ATOM 1070 O GLN A 70 8.300 -5.510 14.057 1.00 0.45 O ATOM 1071 CB GLN A 70 10.024 -3.444 12.990 1.00 0.43 C ATOM 1072 CG GLN A 70 11.222 -3.571 12.059 1.00 0.61 C ATOM 1073 CD GLN A 70 11.369 -4.967 11.477 1.00 0.93 C ATOM 1074 OE1 GLN A 70 11.039 -5.960 12.124 1.00 1.14 O ATOM 1075 NE2 GLN A 70 11.854 -5.053 10.249 1.00 1.29 N ATOM 0 H GLN A 70 7.995 -2.042 13.098 1.00 0.31 H new ATOM 0 HA GLN A 70 8.851 -3.941 11.263 1.00 0.33 H new ATOM 0 HB2 GLN A 70 9.943 -2.411 13.327 1.00 0.43 H new ATOM 0 HB3 GLN A 70 10.195 -4.056 13.876 1.00 0.43 H new ATOM 0 HG2 GLN A 70 11.123 -2.852 11.246 1.00 0.61 H new ATOM 0 HG3 GLN A 70 12.130 -3.312 12.604 1.00 0.61 H new ATOM 0 HE21 GLN A 70 12.117 -4.207 9.744 1.00 1.29 H new ATOM 0 HE22 GLN A 70 11.965 -5.966 9.807 1.00 1.29 H new ATOM 1084 N THR A 71 7.838 -6.086 11.924 1.00 0.29 N ATOM 1085 CA THR A 71 7.410 -7.441 12.234 1.00 0.33 C ATOM 1086 C THR A 71 7.492 -8.320 10.979 1.00 0.30 C ATOM 1087 O THR A 71 6.541 -8.403 10.202 1.00 0.38 O ATOM 1088 CB THR A 71 5.971 -7.461 12.802 1.00 0.43 C ATOM 1089 OG1 THR A 71 5.893 -6.657 13.997 1.00 0.52 O ATOM 1090 CG2 THR A 71 5.535 -8.883 13.119 1.00 0.58 C ATOM 0 H THR A 71 7.777 -5.850 10.933 1.00 0.29 H new ATOM 0 HA THR A 71 8.079 -7.838 12.997 1.00 0.33 H new ATOM 0 HB THR A 71 5.305 -7.049 12.045 1.00 0.43 H new ATOM 0 HG1 THR A 71 6.797 -6.467 14.323 1.00 0.52 H new ATOM 0 HG21 THR A 71 4.520 -8.872 13.517 1.00 0.58 H new ATOM 0 HG22 THR A 71 5.562 -9.483 12.209 1.00 0.58 H new ATOM 0 HG23 THR A 71 6.210 -9.314 13.858 1.00 0.58 H new ATOM 1098 N PRO A 72 8.651 -8.963 10.750 1.00 0.30 N ATOM 1099 CA PRO A 72 8.859 -9.825 9.579 1.00 0.33 C ATOM 1100 C PRO A 72 7.886 -11.000 9.536 1.00 0.31 C ATOM 1101 O PRO A 72 7.728 -11.723 10.522 1.00 0.44 O ATOM 1102 CB PRO A 72 10.299 -10.327 9.747 1.00 0.44 C ATOM 1103 CG PRO A 72 10.616 -10.125 11.187 1.00 0.50 C ATOM 1104 CD PRO A 72 9.845 -8.909 11.607 1.00 0.41 C ATOM 0 HA PRO A 72 8.690 -9.284 8.648 1.00 0.33 H new ATOM 0 HB2 PRO A 72 10.385 -11.377 9.468 1.00 0.44 H new ATOM 0 HB3 PRO A 72 10.987 -9.771 9.110 1.00 0.44 H new ATOM 0 HG2 PRO A 72 10.327 -10.995 11.777 1.00 0.50 H new ATOM 0 HG3 PRO A 72 11.686 -9.980 11.336 1.00 0.50 H new ATOM 0 HD2 PRO A 72 9.584 -8.942 12.665 1.00 0.41 H new ATOM 0 HD3 PRO A 72 10.416 -7.994 11.447 1.00 0.41 H new ATOM 1112 N ASN A 73 7.233 -11.180 8.390 1.00 0.28 N ATOM 1113 CA ASN A 73 6.283 -12.274 8.203 1.00 0.31 C ATOM 1114 C ASN A 73 5.774 -12.312 6.762 1.00 0.28 C ATOM 1115 O ASN A 73 5.789 -11.297 6.060 1.00 0.31 O ATOM 1116 CB ASN A 73 5.105 -12.158 9.181 1.00 0.38 C ATOM 1117 CG ASN A 73 4.208 -13.387 9.163 1.00 0.72 C ATOM 1118 OD1 ASN A 73 4.574 -14.433 8.620 1.00 1.01 O ATOM 1119 ND2 ASN A 73 3.033 -13.280 9.766 1.00 1.26 N ATOM 0 H ASN A 73 7.345 -10.579 7.573 1.00 0.28 H new ATOM 0 HA ASN A 73 6.808 -13.207 8.410 1.00 0.31 H new ATOM 0 HB2 ASN A 73 5.489 -12.007 10.190 1.00 0.38 H new ATOM 0 HB3 ASN A 73 4.514 -11.277 8.930 1.00 0.38 H new ATOM 0 HD21 ASN A 73 2.398 -14.078 9.792 1.00 1.26 H new ATOM 0 HD22 ASN A 73 2.763 -12.400 10.205 1.00 1.26 H new ATOM 1126 N GLU A 74 5.308 -13.486 6.343 1.00 0.28 N ATOM 1127 CA GLU A 74 4.799 -13.698 4.987 1.00 0.30 C ATOM 1128 C GLU A 74 3.752 -12.655 4.610 1.00 0.28 C ATOM 1129 O GLU A 74 3.611 -12.303 3.438 1.00 0.31 O ATOM 1130 CB GLU A 74 4.196 -15.097 4.865 1.00 0.37 C ATOM 1131 CG GLU A 74 5.148 -16.211 5.266 1.00 0.45 C ATOM 1132 CD GLU A 74 4.505 -17.578 5.189 1.00 0.56 C ATOM 1133 OE1 GLU A 74 3.387 -17.749 5.714 1.00 0.66 O ATOM 1134 OE2 GLU A 74 5.118 -18.491 4.607 1.00 0.79 O ATOM 0 H GLU A 74 5.272 -14.318 6.932 1.00 0.28 H new ATOM 0 HA GLU A 74 5.639 -13.599 4.300 1.00 0.30 H new ATOM 0 HB2 GLU A 74 3.303 -15.153 5.487 1.00 0.37 H new ATOM 0 HB3 GLU A 74 3.877 -15.257 3.835 1.00 0.37 H new ATOM 0 HG2 GLU A 74 6.023 -16.188 4.617 1.00 0.45 H new ATOM 0 HG3 GLU A 74 5.500 -16.035 6.282 1.00 0.45 H new ATOM 1141 N GLU A 75 3.022 -12.163 5.606 1.00 0.28 N ATOM 1142 CA GLU A 75 1.985 -11.153 5.381 1.00 0.30 C ATOM 1143 C GLU A 75 2.522 -9.957 4.582 1.00 0.34 C ATOM 1144 O GLU A 75 1.746 -9.188 4.012 1.00 0.60 O ATOM 1145 CB GLU A 75 1.398 -10.660 6.711 1.00 0.37 C ATOM 1146 CG GLU A 75 1.158 -11.756 7.742 1.00 0.49 C ATOM 1147 CD GLU A 75 0.665 -13.060 7.138 1.00 0.53 C ATOM 1148 OE1 GLU A 75 -0.487 -13.108 6.657 1.00 1.26 O ATOM 1149 OE2 GLU A 75 1.432 -14.046 7.142 1.00 1.21 O ATOM 0 H GLU A 75 3.127 -12.446 6.580 1.00 0.28 H new ATOM 0 HA GLU A 75 1.198 -11.632 4.799 1.00 0.30 H new ATOM 0 HB2 GLU A 75 2.073 -9.918 7.138 1.00 0.37 H new ATOM 0 HB3 GLU A 75 0.454 -10.154 6.511 1.00 0.37 H new ATOM 0 HG2 GLU A 75 2.085 -11.943 8.284 1.00 0.49 H new ATOM 0 HG3 GLU A 75 0.428 -11.404 8.471 1.00 0.49 H new ATOM 1156 N CYS A 76 3.847 -9.796 4.557 1.00 0.25 N ATOM 1157 CA CYS A 76 4.486 -8.706 3.823 1.00 0.28 C ATOM 1158 C CYS A 76 4.451 -8.947 2.304 1.00 0.28 C ATOM 1159 O CYS A 76 4.775 -8.053 1.519 1.00 0.36 O ATOM 1160 CB CYS A 76 5.934 -8.562 4.295 1.00 0.31 C ATOM 1161 SG CYS A 76 6.698 -6.971 3.911 1.00 0.49 S ATOM 0 H CYS A 76 4.500 -10.412 5.041 1.00 0.25 H new ATOM 0 HA CYS A 76 3.934 -7.788 4.023 1.00 0.28 H new ATOM 0 HB2 CYS A 76 5.967 -8.715 5.374 1.00 0.31 H new ATOM 0 HB3 CYS A 76 6.530 -9.355 3.842 1.00 0.31 H new ATOM 0 HG CYS A 76 6.148 -6.040 4.632 1.00 0.49 H new ATOM 1167 N LEU A 77 4.073 -10.156 1.887 1.00 0.27 N ATOM 1168 CA LEU A 77 4.002 -10.477 0.467 1.00 0.31 C ATOM 1169 C LEU A 77 2.770 -9.842 -0.172 1.00 0.25 C ATOM 1170 O LEU A 77 1.637 -10.272 0.072 1.00 0.31 O ATOM 1171 CB LEU A 77 3.982 -11.994 0.248 1.00 0.41 C ATOM 1172 CG LEU A 77 5.341 -12.632 -0.054 1.00 0.54 C ATOM 1173 CD1 LEU A 77 5.875 -12.142 -1.391 1.00 0.76 C ATOM 1174 CD2 LEU A 77 6.331 -12.338 1.065 1.00 0.58 C ATOM 0 H LEU A 77 3.814 -10.922 2.509 1.00 0.27 H new ATOM 0 HA LEU A 77 4.893 -10.069 -0.010 1.00 0.31 H new ATOM 0 HB2 LEU A 77 3.567 -12.467 1.138 1.00 0.41 H new ATOM 0 HB3 LEU A 77 3.304 -12.216 -0.576 1.00 0.41 H new ATOM 0 HG LEU A 77 5.209 -13.712 -0.115 1.00 0.54 H new ATOM 0 HD11 LEU A 77 6.841 -12.606 -1.589 1.00 0.76 H new ATOM 0 HD12 LEU A 77 5.175 -12.410 -2.183 1.00 0.76 H new ATOM 0 HD13 LEU A 77 5.992 -11.059 -1.361 1.00 0.76 H new ATOM 0 HD21 LEU A 77 7.291 -12.800 0.832 1.00 0.58 H new ATOM 0 HD22 LEU A 77 6.461 -11.260 1.162 1.00 0.58 H new ATOM 0 HD23 LEU A 77 5.951 -12.744 2.003 1.00 0.58 H new ATOM 1186 N PHE A 78 2.999 -8.823 -0.994 1.00 0.21 N ATOM 1187 CA PHE A 78 1.917 -8.116 -1.669 1.00 0.21 C ATOM 1188 C PHE A 78 1.968 -8.340 -3.176 1.00 0.19 C ATOM 1189 O PHE A 78 2.986 -8.774 -3.725 1.00 0.23 O ATOM 1190 CB PHE A 78 1.990 -6.617 -1.362 1.00 0.26 C ATOM 1191 CG PHE A 78 1.774 -6.287 0.089 1.00 0.29 C ATOM 1192 CD1 PHE A 78 0.506 -6.344 0.643 1.00 0.46 C ATOM 1193 CD2 PHE A 78 2.839 -5.927 0.896 1.00 0.32 C ATOM 1194 CE1 PHE A 78 0.305 -6.049 1.977 1.00 0.53 C ATOM 1195 CE2 PHE A 78 2.644 -5.630 2.232 1.00 0.38 C ATOM 1196 CZ PHE A 78 1.374 -5.691 2.773 1.00 0.45 C ATOM 0 H PHE A 78 3.930 -8.467 -1.209 1.00 0.21 H new ATOM 0 HA PHE A 78 0.973 -8.514 -1.296 1.00 0.21 H new ATOM 0 HB2 PHE A 78 2.965 -6.239 -1.670 1.00 0.26 H new ATOM 0 HB3 PHE A 78 1.242 -6.096 -1.959 1.00 0.26 H new ATOM 0 HD1 PHE A 78 -0.335 -6.622 0.025 1.00 0.46 H new ATOM 0 HD2 PHE A 78 3.833 -5.878 0.477 1.00 0.32 H new ATOM 0 HE1 PHE A 78 -0.689 -6.098 2.397 1.00 0.53 H new ATOM 0 HE2 PHE A 78 3.483 -5.351 2.852 1.00 0.38 H new ATOM 0 HZ PHE A 78 1.218 -5.459 3.816 1.00 0.45 H new ATOM 1206 N LEU A 79 0.850 -8.055 -3.833 1.00 0.21 N ATOM 1207 CA LEU A 79 0.734 -8.196 -5.276 1.00 0.21 C ATOM 1208 C LEU A 79 0.391 -6.840 -5.890 1.00 0.20 C ATOM 1209 O LEU A 79 -0.717 -6.336 -5.697 1.00 0.21 O ATOM 1210 CB LEU A 79 -0.357 -9.222 -5.612 1.00 0.24 C ATOM 1211 CG LEU A 79 -0.186 -9.970 -6.938 1.00 0.30 C ATOM 1212 CD1 LEU A 79 -0.061 -8.997 -8.100 1.00 0.34 C ATOM 1213 CD2 LEU A 79 1.018 -10.897 -6.877 1.00 0.35 C ATOM 0 H LEU A 79 0.000 -7.720 -3.379 1.00 0.21 H new ATOM 0 HA LEU A 79 1.681 -8.546 -5.687 1.00 0.21 H new ATOM 0 HB2 LEU A 79 -0.400 -9.955 -4.806 1.00 0.24 H new ATOM 0 HB3 LEU A 79 -1.319 -8.709 -5.628 1.00 0.24 H new ATOM 0 HG LEU A 79 -1.077 -10.576 -7.103 1.00 0.30 H new ATOM 0 HD11 LEU A 79 0.059 -9.554 -9.029 1.00 0.34 H new ATOM 0 HD12 LEU A 79 -0.960 -8.383 -8.159 1.00 0.34 H new ATOM 0 HD13 LEU A 79 0.807 -8.356 -7.946 1.00 0.34 H new ATOM 0 HD21 LEU A 79 1.123 -11.420 -7.828 1.00 0.35 H new ATOM 0 HD22 LEU A 79 1.917 -10.313 -6.682 1.00 0.35 H new ATOM 0 HD23 LEU A 79 0.877 -11.624 -6.077 1.00 0.35 H new ATOM 1225 N GLU A 80 1.344 -6.252 -6.612 1.00 0.21 N ATOM 1226 CA GLU A 80 1.141 -4.946 -7.237 1.00 0.22 C ATOM 1227 C GLU A 80 0.620 -5.118 -8.662 1.00 0.22 C ATOM 1228 O GLU A 80 1.365 -5.501 -9.568 1.00 0.35 O ATOM 1229 CB GLU A 80 2.448 -4.132 -7.238 1.00 0.28 C ATOM 1230 CG GLU A 80 2.301 -2.725 -7.814 1.00 0.33 C ATOM 1231 CD GLU A 80 3.571 -1.889 -7.695 1.00 0.36 C ATOM 1232 OE1 GLU A 80 4.621 -2.302 -8.231 1.00 0.57 O ATOM 1233 OE2 GLU A 80 3.522 -0.799 -7.077 1.00 0.45 O ATOM 0 H GLU A 80 2.264 -6.659 -6.779 1.00 0.21 H new ATOM 0 HA GLU A 80 0.399 -4.398 -6.656 1.00 0.22 H new ATOM 0 HB2 GLU A 80 2.819 -4.058 -6.216 1.00 0.28 H new ATOM 0 HB3 GLU A 80 3.200 -4.672 -7.812 1.00 0.28 H new ATOM 0 HG2 GLU A 80 2.019 -2.798 -8.864 1.00 0.33 H new ATOM 0 HG3 GLU A 80 1.488 -2.213 -7.300 1.00 0.33 H new ATOM 1240 N ARG A 81 -0.669 -4.864 -8.849 1.00 0.20 N ATOM 1241 CA ARG A 81 -1.283 -4.983 -10.161 1.00 0.23 C ATOM 1242 C ARG A 81 -1.364 -3.616 -10.829 1.00 0.20 C ATOM 1243 O ARG A 81 -2.293 -2.841 -10.580 1.00 0.24 O ATOM 1244 CB ARG A 81 -2.676 -5.610 -10.060 1.00 0.29 C ATOM 1245 CG ARG A 81 -3.361 -5.772 -11.406 1.00 0.39 C ATOM 1246 CD ARG A 81 -4.581 -6.673 -11.316 1.00 0.50 C ATOM 1247 NE ARG A 81 -5.071 -7.058 -12.644 1.00 0.69 N ATOM 1248 CZ ARG A 81 -6.049 -7.943 -12.859 1.00 0.81 C ATOM 1249 NH1 ARG A 81 -6.654 -8.538 -11.834 1.00 1.12 N ATOM 1250 NH2 ARG A 81 -6.419 -8.239 -14.103 1.00 1.02 N ATOM 0 H ARG A 81 -1.307 -4.575 -8.108 1.00 0.20 H new ATOM 0 HA ARG A 81 -0.661 -5.638 -10.771 1.00 0.23 H new ATOM 0 HB2 ARG A 81 -2.594 -6.586 -9.582 1.00 0.29 H new ATOM 0 HB3 ARG A 81 -3.300 -4.991 -9.415 1.00 0.29 H new ATOM 0 HG2 ARG A 81 -3.659 -4.793 -11.782 1.00 0.39 H new ATOM 0 HG3 ARG A 81 -2.655 -6.188 -12.125 1.00 0.39 H new ATOM 0 HD2 ARG A 81 -4.331 -7.568 -10.747 1.00 0.50 H new ATOM 0 HD3 ARG A 81 -5.373 -6.160 -10.771 1.00 0.50 H new ATOM 0 HE ARG A 81 -4.637 -6.621 -13.457 1.00 0.69 H new ATOM 0 HH11 ARG A 81 -6.372 -8.319 -10.878 1.00 1.12 H new ATOM 0 HH12 ARG A 81 -7.400 -9.213 -12.004 1.00 1.12 H new ATOM 0 HH21 ARG A 81 -5.956 -7.790 -14.893 1.00 1.02 H new ATOM 0 HH22 ARG A 81 -7.166 -8.915 -14.266 1.00 1.02 H new ATOM 1264 N LEU A 82 -0.373 -3.318 -11.662 1.00 0.22 N ATOM 1265 CA LEU A 82 -0.313 -2.051 -12.374 1.00 0.24 C ATOM 1266 C LEU A 82 -0.775 -2.225 -13.818 1.00 0.27 C ATOM 1267 O LEU A 82 -0.403 -3.191 -14.486 1.00 0.40 O ATOM 1268 CB LEU A 82 1.114 -1.495 -12.343 1.00 0.32 C ATOM 1269 CG LEU A 82 1.304 -0.132 -13.016 1.00 0.36 C ATOM 1270 CD1 LEU A 82 0.570 0.959 -12.247 1.00 0.43 C ATOM 1271 CD2 LEU A 82 2.785 0.200 -13.130 1.00 0.54 C ATOM 0 H LEU A 82 0.406 -3.945 -11.861 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.980 -1.345 -11.879 1.00 0.24 H new ATOM 0 HB2 LEU A 82 1.432 -1.415 -11.303 1.00 0.32 H new ATOM 0 HB3 LEU A 82 1.776 -2.214 -12.825 1.00 0.32 H new ATOM 0 HG LEU A 82 0.880 -0.183 -14.019 1.00 0.36 H new ATOM 0 HD11 LEU A 82 0.719 1.918 -12.744 1.00 0.43 H new ATOM 0 HD12 LEU A 82 -0.495 0.729 -12.216 1.00 0.43 H new ATOM 0 HD13 LEU A 82 0.960 1.012 -11.230 1.00 0.43 H new ATOM 0 HD21 LEU A 82 2.904 1.171 -13.610 1.00 0.54 H new ATOM 0 HD22 LEU A 82 3.229 0.230 -12.135 1.00 0.54 H new ATOM 0 HD23 LEU A 82 3.284 -0.563 -13.727 1.00 0.54 H new ATOM 1283 N GLU A 83 -1.602 -1.298 -14.288 1.00 0.28 N ATOM 1284 CA GLU A 83 -2.101 -1.345 -15.656 1.00 0.36 C ATOM 1285 C GLU A 83 -1.356 -0.322 -16.515 1.00 0.44 C ATOM 1286 O GLU A 83 -0.363 -0.660 -17.164 1.00 1.00 O ATOM 1287 CB GLU A 83 -3.610 -1.091 -15.683 1.00 0.42 C ATOM 1288 CG GLU A 83 -4.188 -0.993 -17.084 1.00 0.67 C ATOM 1289 CD GLU A 83 -5.191 0.127 -17.209 1.00 0.91 C ATOM 1290 OE1 GLU A 83 -4.771 1.293 -17.342 1.00 1.24 O ATOM 1291 OE2 GLU A 83 -6.404 -0.154 -17.151 1.00 1.19 O ATOM 0 H GLU A 83 -1.940 -0.506 -13.742 1.00 0.28 H new ATOM 0 HA GLU A 83 -1.922 -2.338 -16.068 1.00 0.36 H new ATOM 0 HB2 GLU A 83 -4.114 -1.895 -15.147 1.00 0.42 H new ATOM 0 HB3 GLU A 83 -3.824 -0.167 -15.146 1.00 0.42 H new ATOM 0 HG2 GLU A 83 -3.380 -0.836 -17.799 1.00 0.67 H new ATOM 0 HG3 GLU A 83 -4.666 -1.937 -17.345 1.00 0.67 H new ATOM 1298 N GLU A 84 -1.823 0.927 -16.499 1.00 0.37 N ATOM 1299 CA GLU A 84 -1.187 1.997 -17.261 1.00 0.38 C ATOM 1300 C GLU A 84 -1.888 3.341 -17.046 1.00 0.31 C ATOM 1301 O GLU A 84 -1.229 4.380 -16.984 1.00 0.32 O ATOM 1302 CB GLU A 84 -1.131 1.660 -18.756 1.00 0.50 C ATOM 1303 CG GLU A 84 -2.470 1.731 -19.470 1.00 0.90 C ATOM 1304 CD GLU A 84 -2.332 1.582 -20.969 1.00 0.94 C ATOM 1305 OE1 GLU A 84 -1.366 2.128 -21.544 1.00 1.23 O ATOM 1306 OE2 GLU A 84 -3.184 0.909 -21.584 1.00 1.14 O ATOM 0 H GLU A 84 -2.641 1.221 -15.965 1.00 0.37 H new ATOM 0 HA GLU A 84 -0.166 2.086 -16.889 1.00 0.38 H new ATOM 0 HB2 GLU A 84 -0.437 2.345 -19.244 1.00 0.50 H new ATOM 0 HB3 GLU A 84 -0.724 0.656 -18.874 1.00 0.50 H new ATOM 0 HG2 GLU A 84 -3.124 0.947 -19.088 1.00 0.90 H new ATOM 0 HG3 GLU A 84 -2.949 2.684 -19.245 1.00 0.90 H new ATOM 1313 N ASN A 85 -3.217 3.330 -16.933 1.00 0.34 N ATOM 1314 CA ASN A 85 -3.988 4.562 -16.727 1.00 0.37 C ATOM 1315 C ASN A 85 -3.726 5.170 -15.343 1.00 0.29 C ATOM 1316 O ASN A 85 -4.650 5.381 -14.558 1.00 0.33 O ATOM 1317 CB ASN A 85 -5.488 4.293 -16.910 1.00 0.49 C ATOM 1318 CG ASN A 85 -6.332 5.553 -16.782 1.00 0.58 C ATOM 1319 OD1 ASN A 85 -5.879 6.656 -17.091 1.00 0.64 O ATOM 1320 ND2 ASN A 85 -7.571 5.396 -16.335 1.00 0.79 N ATOM 0 H ASN A 85 -3.784 2.483 -16.980 1.00 0.34 H new ATOM 0 HA ASN A 85 -3.660 5.283 -17.476 1.00 0.37 H new ATOM 0 HB2 ASN A 85 -5.656 3.847 -17.890 1.00 0.49 H new ATOM 0 HB3 ASN A 85 -5.815 3.565 -16.168 1.00 0.49 H new ATOM 0 HD21 ASN A 85 -8.184 6.205 -16.237 1.00 0.79 H new ATOM 0 HD22 ASN A 85 -7.910 4.466 -16.089 1.00 0.79 H new ATOM 1327 N HIS A 86 -2.457 5.459 -15.058 1.00 0.28 N ATOM 1328 CA HIS A 86 -2.040 6.055 -13.786 1.00 0.33 C ATOM 1329 C HIS A 86 -2.774 5.446 -12.582 1.00 0.30 C ATOM 1330 O HIS A 86 -3.214 6.168 -11.686 1.00 0.38 O ATOM 1331 CB HIS A 86 -2.236 7.580 -13.822 1.00 0.45 C ATOM 1332 CG HIS A 86 -3.668 8.019 -13.938 1.00 0.50 C ATOM 1333 ND1 HIS A 86 -4.281 8.279 -15.145 1.00 0.69 N ATOM 1334 CD2 HIS A 86 -4.607 8.253 -12.989 1.00 0.58 C ATOM 1335 CE1 HIS A 86 -5.526 8.654 -14.933 1.00 0.78 C ATOM 1336 NE2 HIS A 86 -5.752 8.645 -13.635 1.00 0.71 N ATOM 0 H HIS A 86 -1.686 5.287 -15.703 1.00 0.28 H new ATOM 0 HA HIS A 86 -0.981 5.831 -13.658 1.00 0.33 H new ATOM 0 HB2 HIS A 86 -1.809 8.010 -12.916 1.00 0.45 H new ATOM 0 HB3 HIS A 86 -1.675 7.986 -14.663 1.00 0.45 H new ATOM 0 HD2 HIS A 86 -4.478 8.150 -11.922 1.00 0.58 H new ATOM 0 HE1 HIS A 86 -6.242 8.924 -15.696 1.00 0.78 H new ATOM 0 HE2 HIS A 86 -6.634 8.889 -13.184 1.00 0.71 H new ATOM 1345 N TYR A 87 -2.893 4.121 -12.554 1.00 0.26 N ATOM 1346 CA TYR A 87 -3.560 3.445 -11.445 1.00 0.34 C ATOM 1347 C TYR A 87 -3.109 1.991 -11.339 1.00 0.24 C ATOM 1348 O TYR A 87 -2.684 1.384 -12.329 1.00 0.23 O ATOM 1349 CB TYR A 87 -5.090 3.522 -11.592 1.00 0.53 C ATOM 1350 CG TYR A 87 -5.700 2.427 -12.449 1.00 0.48 C ATOM 1351 CD1 TYR A 87 -5.971 1.170 -11.919 1.00 0.51 C ATOM 1352 CD2 TYR A 87 -6.004 2.653 -13.785 1.00 0.83 C ATOM 1353 CE1 TYR A 87 -6.527 0.172 -12.697 1.00 0.75 C ATOM 1354 CE2 TYR A 87 -6.561 1.661 -14.568 1.00 1.03 C ATOM 1355 CZ TYR A 87 -6.819 0.420 -14.021 1.00 0.95 C ATOM 1356 OH TYR A 87 -7.374 -0.574 -14.800 1.00 1.27 O ATOM 0 H TYR A 87 -2.539 3.498 -13.280 1.00 0.26 H new ATOM 0 HA TYR A 87 -3.277 3.959 -10.526 1.00 0.34 H new ATOM 0 HB2 TYR A 87 -5.539 3.481 -10.600 1.00 0.53 H new ATOM 0 HB3 TYR A 87 -5.352 4.489 -12.021 1.00 0.53 H new ATOM 0 HD1 TYR A 87 -5.743 0.970 -10.882 1.00 0.51 H new ATOM 0 HD2 TYR A 87 -5.801 3.621 -14.219 1.00 0.83 H new ATOM 0 HE1 TYR A 87 -6.732 -0.798 -12.269 1.00 0.75 H new ATOM 0 HE2 TYR A 87 -6.794 1.855 -15.605 1.00 1.03 H new ATOM 0 HH TYR A 87 -6.914 -0.607 -15.665 1.00 1.27 H new ATOM 1366 N ASN A 88 -3.201 1.445 -10.135 1.00 0.24 N ATOM 1367 CA ASN A 88 -2.816 0.063 -9.870 1.00 0.20 C ATOM 1368 C ASN A 88 -3.649 -0.491 -8.716 1.00 0.20 C ATOM 1369 O ASN A 88 -4.415 0.249 -8.091 1.00 0.24 O ATOM 1370 CB ASN A 88 -1.320 -0.020 -9.530 1.00 0.21 C ATOM 1371 CG ASN A 88 -1.053 0.011 -8.033 1.00 0.20 C ATOM 1372 OD1 ASN A 88 -1.201 1.177 -7.421 1.00 0.24 O flip ATOM 1373 ND2 ASN A 88 -0.742 -1.011 -7.427 1.00 0.24 N flip ATOM 0 H ASN A 88 -3.544 1.945 -9.315 1.00 0.24 H new ATOM 0 HA ASN A 88 -3.001 -0.533 -10.764 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -0.907 -0.938 -9.949 1.00 0.21 H new ATOM 0 HB3 ASN A 88 -0.798 0.810 -10.005 1.00 0.21 H new ATOM 0 HD21 ASN A 88 -0.637 -1.891 -7.932 1.00 0.24 H new ATOM 0 HD22 ASN A 88 -0.589 -0.980 -6.419 1.00 0.24 H new ATOM 1380 N THR A 89 -3.497 -1.777 -8.434 1.00 0.23 N ATOM 1381 CA THR A 89 -4.232 -2.414 -7.351 1.00 0.26 C ATOM 1382 C THR A 89 -3.346 -3.396 -6.585 1.00 0.21 C ATOM 1383 O THR A 89 -2.556 -4.129 -7.184 1.00 0.25 O ATOM 1384 CB THR A 89 -5.487 -3.151 -7.874 1.00 0.34 C ATOM 1385 OG1 THR A 89 -5.209 -3.783 -9.135 1.00 0.57 O ATOM 1386 CG2 THR A 89 -6.654 -2.182 -8.025 1.00 0.72 C ATOM 0 H THR A 89 -2.870 -2.401 -8.942 1.00 0.23 H new ATOM 0 HA THR A 89 -4.550 -1.621 -6.675 1.00 0.26 H new ATOM 0 HB THR A 89 -5.759 -3.917 -7.148 1.00 0.34 H new ATOM 0 HG1 THR A 89 -6.012 -4.247 -9.453 1.00 0.57 H new ATOM 0 HG21 THR A 89 -7.528 -2.719 -8.394 1.00 0.72 H new ATOM 0 HG22 THR A 89 -6.884 -1.736 -7.057 1.00 0.72 H new ATOM 0 HG23 THR A 89 -6.386 -1.397 -8.732 1.00 0.72 H new ATOM 1394 N TYR A 90 -3.463 -3.381 -5.260 1.00 0.21 N ATOM 1395 CA TYR A 90 -2.688 -4.274 -4.409 1.00 0.21 C ATOM 1396 C TYR A 90 -3.611 -5.306 -3.765 1.00 0.23 C ATOM 1397 O TYR A 90 -4.589 -4.942 -3.105 1.00 0.28 O ATOM 1398 CB TYR A 90 -1.952 -3.490 -3.320 1.00 0.27 C ATOM 1399 CG TYR A 90 -0.909 -2.527 -3.845 1.00 0.25 C ATOM 1400 CD1 TYR A 90 0.363 -2.967 -4.198 1.00 0.26 C ATOM 1401 CD2 TYR A 90 -1.195 -1.173 -3.981 1.00 0.29 C ATOM 1402 CE1 TYR A 90 1.318 -2.084 -4.667 1.00 0.29 C ATOM 1403 CE2 TYR A 90 -0.247 -0.287 -4.452 1.00 0.31 C ATOM 1404 CZ TYR A 90 1.007 -0.745 -4.793 1.00 0.31 C ATOM 1405 OH TYR A 90 1.957 0.140 -5.255 1.00 0.36 O ATOM 0 H TYR A 90 -4.090 -2.757 -4.752 1.00 0.21 H new ATOM 0 HA TYR A 90 -1.948 -4.781 -5.029 1.00 0.21 H new ATOM 0 HB2 TYR A 90 -2.682 -2.933 -2.733 1.00 0.27 H new ATOM 0 HB3 TYR A 90 -1.471 -4.195 -2.643 1.00 0.27 H new ATOM 0 HD1 TYR A 90 0.608 -4.015 -4.104 1.00 0.26 H new ATOM 0 HD2 TYR A 90 -2.176 -0.808 -3.714 1.00 0.29 H new ATOM 0 HE1 TYR A 90 2.302 -2.440 -4.933 1.00 0.29 H new ATOM 0 HE2 TYR A 90 -0.487 0.761 -4.553 1.00 0.31 H new ATOM 0 HH TYR A 90 2.646 -0.349 -5.751 1.00 0.36 H new ATOM 1415 N ILE A 91 -3.304 -6.583 -3.957 1.00 0.22 N ATOM 1416 CA ILE A 91 -4.118 -7.657 -3.395 1.00 0.26 C ATOM 1417 C ILE A 91 -3.288 -8.574 -2.498 1.00 0.27 C ATOM 1418 O ILE A 91 -2.065 -8.658 -2.641 1.00 0.27 O ATOM 1419 CB ILE A 91 -4.794 -8.500 -4.503 1.00 0.28 C ATOM 1420 CG1 ILE A 91 -3.743 -9.125 -5.428 1.00 0.26 C ATOM 1421 CG2 ILE A 91 -5.764 -7.644 -5.303 1.00 0.33 C ATOM 1422 CD1 ILE A 91 -4.314 -10.122 -6.418 1.00 0.31 C ATOM 0 H ILE A 91 -2.499 -6.901 -4.496 1.00 0.22 H new ATOM 0 HA ILE A 91 -4.893 -7.179 -2.795 1.00 0.26 H new ATOM 0 HB ILE A 91 -5.352 -9.306 -4.027 1.00 0.28 H new ATOM 0 HG12 ILE A 91 -3.238 -8.331 -5.977 1.00 0.26 H new ATOM 0 HG13 ILE A 91 -2.988 -9.623 -4.820 1.00 0.26 H new ATOM 0 HG21 ILE A 91 -6.231 -8.251 -6.078 1.00 0.33 H new ATOM 0 HG22 ILE A 91 -6.533 -7.248 -4.639 1.00 0.33 H new ATOM 0 HG23 ILE A 91 -5.224 -6.818 -5.766 1.00 0.33 H new ATOM 0 HD11 ILE A 91 -3.510 -10.521 -7.037 1.00 0.31 H new ATOM 0 HD12 ILE A 91 -4.794 -10.937 -5.877 1.00 0.31 H new ATOM 0 HD13 ILE A 91 -5.048 -9.625 -7.052 1.00 0.31 H new ATOM 1434 N SER A 92 -3.965 -9.254 -1.576 1.00 0.33 N ATOM 1435 CA SER A 92 -3.315 -10.166 -0.643 1.00 0.37 C ATOM 1436 C SER A 92 -2.628 -11.316 -1.385 1.00 0.31 C ATOM 1437 O SER A 92 -3.291 -12.231 -1.870 1.00 0.44 O ATOM 1438 CB SER A 92 -4.350 -10.727 0.343 1.00 0.50 C ATOM 1439 OG SER A 92 -5.584 -10.019 0.269 1.00 0.82 O ATOM 0 H SER A 92 -4.976 -9.188 -1.456 1.00 0.33 H new ATOM 0 HA SER A 92 -2.554 -9.610 -0.096 1.00 0.37 H new ATOM 0 HB2 SER A 92 -4.522 -11.782 0.129 1.00 0.50 H new ATOM 0 HB3 SER A 92 -3.956 -10.667 1.358 1.00 0.50 H new ATOM 0 HG SER A 92 -6.301 -10.570 0.647 1.00 0.82 H new ATOM 1445 N LYS A 93 -1.301 -11.263 -1.472 1.00 0.31 N ATOM 1446 CA LYS A 93 -0.543 -12.311 -2.151 1.00 0.31 C ATOM 1447 C LYS A 93 -0.656 -13.632 -1.392 1.00 0.29 C ATOM 1448 O LYS A 93 -1.108 -14.636 -1.943 1.00 0.35 O ATOM 1449 CB LYS A 93 0.931 -11.904 -2.291 1.00 0.42 C ATOM 1450 CG LYS A 93 1.762 -12.842 -3.158 1.00 0.55 C ATOM 1451 CD LYS A 93 2.058 -14.157 -2.447 1.00 0.74 C ATOM 1452 CE LYS A 93 3.336 -14.809 -2.958 1.00 0.80 C ATOM 1453 NZ LYS A 93 3.159 -15.447 -4.290 1.00 0.80 N ATOM 0 H LYS A 93 -0.731 -10.511 -1.084 1.00 0.31 H new ATOM 0 HA LYS A 93 -0.963 -12.446 -3.148 1.00 0.31 H new ATOM 0 HB2 LYS A 93 0.980 -10.900 -2.713 1.00 0.42 H new ATOM 0 HB3 LYS A 93 1.378 -11.855 -1.298 1.00 0.42 H new ATOM 0 HG2 LYS A 93 1.231 -13.043 -4.088 1.00 0.55 H new ATOM 0 HG3 LYS A 93 2.699 -12.355 -3.426 1.00 0.55 H new ATOM 0 HD2 LYS A 93 2.146 -13.977 -1.376 1.00 0.74 H new ATOM 0 HD3 LYS A 93 1.221 -14.841 -2.588 1.00 0.74 H new ATOM 0 HE2 LYS A 93 4.123 -14.057 -3.021 1.00 0.80 H new ATOM 0 HE3 LYS A 93 3.669 -15.560 -2.241 1.00 0.80 H new ATOM 0 HZ1 LYS A 93 4.054 -15.403 -4.818 1.00 0.80 H new ATOM 0 HZ2 LYS A 93 2.880 -16.441 -4.165 1.00 0.80 H new ATOM 0 HZ3 LYS A 93 2.419 -14.944 -4.820 1.00 0.80 H new ATOM 1467 N LYS A 94 -0.246 -13.627 -0.123 1.00 0.28 N ATOM 1468 CA LYS A 94 -0.306 -14.831 0.699 1.00 0.31 C ATOM 1469 C LYS A 94 -1.746 -15.310 0.868 1.00 0.31 C ATOM 1470 O LYS A 94 -2.027 -16.509 0.793 1.00 0.56 O ATOM 1471 CB LYS A 94 0.330 -14.591 2.072 1.00 0.36 C ATOM 1472 CG LYS A 94 0.142 -15.758 3.032 1.00 0.55 C ATOM 1473 CD LYS A 94 0.891 -15.552 4.336 1.00 0.55 C ATOM 1474 CE LYS A 94 0.473 -16.582 5.374 1.00 0.63 C ATOM 1475 NZ LYS A 94 1.308 -16.511 6.600 1.00 0.69 N ATOM 0 H LYS A 94 0.129 -12.807 0.354 1.00 0.28 H new ATOM 0 HA LYS A 94 0.260 -15.607 0.184 1.00 0.31 H new ATOM 0 HB2 LYS A 94 1.396 -14.403 1.944 1.00 0.36 H new ATOM 0 HB3 LYS A 94 -0.102 -13.693 2.513 1.00 0.36 H new ATOM 0 HG2 LYS A 94 -0.920 -15.887 3.241 1.00 0.55 H new ATOM 0 HG3 LYS A 94 0.487 -16.676 2.557 1.00 0.55 H new ATOM 0 HD2 LYS A 94 1.964 -15.624 4.158 1.00 0.55 H new ATOM 0 HD3 LYS A 94 0.698 -14.549 4.716 1.00 0.55 H new ATOM 0 HE2 LYS A 94 -0.573 -16.425 5.639 1.00 0.63 H new ATOM 0 HE3 LYS A 94 0.547 -17.581 4.943 1.00 0.63 H new ATOM 0 HZ1 LYS A 94 0.749 -16.825 7.419 1.00 0.69 H new ATOM 0 HZ2 LYS A 94 2.138 -17.128 6.491 1.00 0.69 H new ATOM 0 HZ3 LYS A 94 1.622 -15.531 6.750 1.00 0.69 H new ATOM 1489 N HIS A 95 -2.658 -14.369 1.087 1.00 0.27 N ATOM 1490 CA HIS A 95 -4.064 -14.701 1.277 1.00 0.28 C ATOM 1491 C HIS A 95 -4.821 -14.584 -0.046 1.00 0.27 C ATOM 1492 O HIS A 95 -5.826 -13.881 -0.134 1.00 0.33 O ATOM 1493 CB HIS A 95 -4.701 -13.788 2.338 1.00 0.36 C ATOM 1494 CG HIS A 95 -3.966 -13.756 3.645 1.00 0.41 C ATOM 1495 ND1 HIS A 95 -4.407 -14.409 4.776 1.00 0.64 N ATOM 1496 CD2 HIS A 95 -2.819 -13.128 4.002 1.00 0.46 C ATOM 1497 CE1 HIS A 95 -3.565 -14.182 5.769 1.00 0.65 C ATOM 1498 NE2 HIS A 95 -2.595 -13.409 5.325 1.00 0.50 N ATOM 0 H HIS A 95 -2.449 -13.372 1.137 1.00 0.27 H new ATOM 0 HA HIS A 95 -4.128 -15.731 1.628 1.00 0.28 H new ATOM 0 HB2 HIS A 95 -4.758 -12.774 1.941 1.00 0.36 H new ATOM 0 HB3 HIS A 95 -5.724 -14.118 2.518 1.00 0.36 H new ATOM 0 HD2 HIS A 95 -2.197 -12.519 3.363 1.00 0.46 H new ATOM 0 HE1 HIS A 95 -3.657 -14.565 6.774 1.00 0.65 H new ATOM 0 HE2 HIS A 95 -1.805 -13.074 5.876 1.00 0.50 H new ATOM 1507 N ALA A 96 -4.332 -15.283 -1.067 1.00 0.31 N ATOM 1508 CA ALA A 96 -4.951 -15.260 -2.393 1.00 0.35 C ATOM 1509 C ALA A 96 -6.450 -15.542 -2.311 1.00 0.34 C ATOM 1510 O ALA A 96 -7.256 -14.862 -2.953 1.00 0.41 O ATOM 1511 CB ALA A 96 -4.275 -16.271 -3.306 1.00 0.44 C ATOM 0 H ALA A 96 -3.505 -15.876 -1.002 1.00 0.31 H new ATOM 0 HA ALA A 96 -4.819 -14.261 -2.808 1.00 0.35 H new ATOM 0 HB1 ALA A 96 -4.745 -16.244 -4.289 1.00 0.44 H new ATOM 0 HB2 ALA A 96 -3.218 -16.025 -3.402 1.00 0.44 H new ATOM 0 HB3 ALA A 96 -4.378 -17.270 -2.882 1.00 0.44 H new ATOM 1517 N GLU A 97 -6.818 -16.545 -1.517 1.00 0.34 N ATOM 1518 CA GLU A 97 -8.220 -16.914 -1.347 1.00 0.38 C ATOM 1519 C GLU A 97 -9.029 -15.724 -0.842 1.00 0.37 C ATOM 1520 O GLU A 97 -10.159 -15.494 -1.278 1.00 0.50 O ATOM 1521 CB GLU A 97 -8.354 -18.080 -0.364 1.00 0.46 C ATOM 1522 CG GLU A 97 -7.764 -19.383 -0.872 1.00 0.57 C ATOM 1523 CD GLU A 97 -8.600 -20.016 -1.964 1.00 0.73 C ATOM 1524 OE1 GLU A 97 -8.460 -19.618 -3.133 1.00 0.93 O ATOM 1525 OE2 GLU A 97 -9.401 -20.919 -1.656 1.00 0.97 O ATOM 0 H GLU A 97 -6.164 -17.116 -0.982 1.00 0.34 H new ATOM 0 HA GLU A 97 -8.608 -17.222 -2.318 1.00 0.38 H new ATOM 0 HB2 GLU A 97 -7.865 -17.811 0.572 1.00 0.46 H new ATOM 0 HB3 GLU A 97 -9.409 -18.234 -0.139 1.00 0.46 H new ATOM 0 HG2 GLU A 97 -6.759 -19.199 -1.250 1.00 0.57 H new ATOM 0 HG3 GLU A 97 -7.669 -20.082 -0.041 1.00 0.57 H new ATOM 1532 N LYS A 98 -8.437 -14.961 0.070 1.00 0.33 N ATOM 1533 CA LYS A 98 -9.092 -13.799 0.648 1.00 0.38 C ATOM 1534 C LYS A 98 -8.426 -12.516 0.151 1.00 0.37 C ATOM 1535 O LYS A 98 -7.907 -11.713 0.936 1.00 0.47 O ATOM 1536 CB LYS A 98 -9.050 -13.878 2.180 1.00 0.48 C ATOM 1537 CG LYS A 98 -9.560 -15.203 2.733 1.00 0.60 C ATOM 1538 CD LYS A 98 -9.455 -15.262 4.248 1.00 0.70 C ATOM 1539 CE LYS A 98 -10.555 -14.457 4.922 1.00 0.78 C ATOM 1540 NZ LYS A 98 -10.465 -14.512 6.405 1.00 0.89 N ATOM 0 H LYS A 98 -7.496 -15.131 0.426 1.00 0.33 H new ATOM 0 HA LYS A 98 -10.135 -13.786 0.333 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -8.025 -13.723 2.516 1.00 0.48 H new ATOM 0 HB3 LYS A 98 -9.647 -13.066 2.595 1.00 0.48 H new ATOM 0 HG2 LYS A 98 -10.599 -15.345 2.435 1.00 0.60 H new ATOM 0 HG3 LYS A 98 -8.989 -16.022 2.297 1.00 0.60 H new ATOM 0 HD2 LYS A 98 -9.511 -16.300 4.576 1.00 0.70 H new ATOM 0 HD3 LYS A 98 -8.483 -14.881 4.560 1.00 0.70 H new ATOM 0 HE2 LYS A 98 -10.495 -13.419 4.595 1.00 0.78 H new ATOM 0 HE3 LYS A 98 -11.526 -14.836 4.605 1.00 0.78 H new ATOM 0 HZ1 LYS A 98 -11.235 -13.949 6.821 1.00 0.89 H new ATOM 0 HZ2 LYS A 98 -10.548 -15.499 6.721 1.00 0.89 H new ATOM 0 HZ3 LYS A 98 -9.549 -14.126 6.712 1.00 0.89 H new ATOM 1554 N ASN A 99 -8.421 -12.338 -1.165 1.00 0.40 N ATOM 1555 CA ASN A 99 -7.827 -11.153 -1.767 1.00 0.48 C ATOM 1556 C ASN A 99 -8.803 -9.981 -1.682 1.00 0.44 C ATOM 1557 O ASN A 99 -9.960 -10.096 -2.089 1.00 0.78 O ATOM 1558 CB ASN A 99 -7.414 -11.417 -3.226 1.00 0.64 C ATOM 1559 CG ASN A 99 -8.480 -11.026 -4.238 1.00 0.72 C ATOM 1560 OD1 ASN A 99 -9.330 -11.838 -4.607 1.00 0.82 O ATOM 1561 ND2 ASN A 99 -8.442 -9.781 -4.696 1.00 1.07 N ATOM 0 H ASN A 99 -8.821 -12.998 -1.833 1.00 0.40 H new ATOM 0 HA ASN A 99 -6.924 -10.900 -1.212 1.00 0.48 H new ATOM 0 HB2 ASN A 99 -6.499 -10.865 -3.442 1.00 0.64 H new ATOM 0 HB3 ASN A 99 -7.183 -12.476 -3.344 1.00 0.64 H new ATOM 0 HD21 ASN A 99 -9.133 -9.467 -5.378 1.00 1.07 H new ATOM 0 HD22 ASN A 99 -7.722 -9.138 -4.366 1.00 1.07 H new ATOM 1568 N TRP A 100 -8.340 -8.873 -1.128 1.00 0.33 N ATOM 1569 CA TRP A 100 -9.168 -7.680 -0.986 1.00 0.32 C ATOM 1570 C TRP A 100 -8.396 -6.445 -1.435 1.00 0.32 C ATOM 1571 O TRP A 100 -7.165 -6.438 -1.417 1.00 0.46 O ATOM 1572 CB TRP A 100 -9.627 -7.508 0.466 1.00 0.38 C ATOM 1573 CG TRP A 100 -10.651 -8.511 0.907 1.00 0.41 C ATOM 1574 CD1 TRP A 100 -10.413 -9.745 1.443 1.00 0.54 C ATOM 1575 CD2 TRP A 100 -12.074 -8.360 0.866 1.00 0.57 C ATOM 1576 NE1 TRP A 100 -11.603 -10.369 1.734 1.00 0.59 N ATOM 1577 CE2 TRP A 100 -12.636 -9.538 1.390 1.00 0.63 C ATOM 1578 CE3 TRP A 100 -12.929 -7.340 0.439 1.00 0.83 C ATOM 1579 CZ2 TRP A 100 -14.011 -9.726 1.493 1.00 0.85 C ATOM 1580 CZ3 TRP A 100 -14.294 -7.526 0.543 1.00 1.09 C ATOM 1581 CH2 TRP A 100 -14.823 -8.710 1.069 1.00 1.08 C ATOM 0 H TRP A 100 -7.391 -8.772 -0.767 1.00 0.33 H new ATOM 0 HA TRP A 100 -10.048 -7.799 -1.617 1.00 0.32 H new ATOM 0 HB2 TRP A 100 -8.759 -7.579 1.121 1.00 0.38 H new ATOM 0 HB3 TRP A 100 -10.038 -6.506 0.590 1.00 0.38 H new ATOM 0 HD1 TRP A 100 -9.434 -10.168 1.613 1.00 0.54 H new ATOM 0 HE1 TRP A 100 -11.701 -11.300 2.140 1.00 0.59 H new ATOM 0 HE3 TRP A 100 -12.529 -6.422 0.035 1.00 0.83 H new ATOM 0 HZ2 TRP A 100 -14.422 -10.641 1.893 1.00 0.85 H new ATOM 0 HZ3 TRP A 100 -14.963 -6.745 0.213 1.00 1.09 H new ATOM 0 HH2 TRP A 100 -15.895 -8.824 1.142 1.00 1.08 H new ATOM 1592 N PHE A 101 -9.122 -5.408 -1.830 1.00 0.28 N ATOM 1593 CA PHE A 101 -8.504 -4.171 -2.289 1.00 0.29 C ATOM 1594 C PHE A 101 -8.161 -3.267 -1.108 1.00 0.29 C ATOM 1595 O PHE A 101 -9.008 -3.001 -0.249 1.00 0.38 O ATOM 1596 CB PHE A 101 -9.427 -3.435 -3.263 1.00 0.34 C ATOM 1597 CG PHE A 101 -9.826 -4.258 -4.455 1.00 0.41 C ATOM 1598 CD1 PHE A 101 -9.025 -4.298 -5.586 1.00 0.49 C ATOM 1599 CD2 PHE A 101 -11.001 -4.995 -4.443 1.00 0.54 C ATOM 1600 CE1 PHE A 101 -9.389 -5.056 -6.683 1.00 0.60 C ATOM 1601 CE2 PHE A 101 -11.369 -5.753 -5.537 1.00 0.64 C ATOM 1602 CZ PHE A 101 -10.562 -5.785 -6.657 1.00 0.64 C ATOM 0 H PHE A 101 -10.142 -5.399 -1.842 1.00 0.28 H new ATOM 0 HA PHE A 101 -7.581 -4.429 -2.809 1.00 0.29 H new ATOM 0 HB2 PHE A 101 -10.326 -3.121 -2.732 1.00 0.34 H new ATOM 0 HB3 PHE A 101 -8.928 -2.529 -3.608 1.00 0.34 H new ATOM 0 HD1 PHE A 101 -8.106 -3.731 -5.610 1.00 0.49 H new ATOM 0 HD2 PHE A 101 -11.635 -4.976 -3.569 1.00 0.54 H new ATOM 0 HE1 PHE A 101 -8.757 -5.078 -7.559 1.00 0.60 H new ATOM 0 HE2 PHE A 101 -12.288 -6.321 -5.517 1.00 0.64 H new ATOM 0 HZ PHE A 101 -10.848 -6.380 -7.512 1.00 0.64 H new ATOM 1612 N VAL A 102 -6.916 -2.807 -1.066 1.00 0.30 N ATOM 1613 CA VAL A 102 -6.446 -1.930 0.006 1.00 0.35 C ATOM 1614 C VAL A 102 -7.069 -0.528 -0.112 1.00 0.55 C ATOM 1615 O VAL A 102 -8.138 -0.364 -0.707 1.00 1.36 O ATOM 1616 CB VAL A 102 -4.901 -1.833 0.002 1.00 0.57 C ATOM 1617 CG1 VAL A 102 -4.279 -3.204 0.230 1.00 0.67 C ATOM 1618 CG2 VAL A 102 -4.394 -1.221 -1.297 1.00 0.82 C ATOM 0 H VAL A 102 -6.208 -3.027 -1.766 1.00 0.30 H new ATOM 0 HA VAL A 102 -6.763 -2.366 0.953 1.00 0.35 H new ATOM 0 HB VAL A 102 -4.601 -1.178 0.820 1.00 0.57 H new ATOM 0 HG11 VAL A 102 -3.193 -3.116 0.224 1.00 0.67 H new ATOM 0 HG12 VAL A 102 -4.606 -3.596 1.193 1.00 0.67 H new ATOM 0 HG13 VAL A 102 -4.593 -3.882 -0.564 1.00 0.67 H new ATOM 0 HG21 VAL A 102 -3.306 -1.165 -1.272 1.00 0.82 H new ATOM 0 HG22 VAL A 102 -4.706 -1.841 -2.137 1.00 0.82 H new ATOM 0 HG23 VAL A 102 -4.806 -0.219 -1.412 1.00 0.82 H new ATOM 1628 N GLY A 103 -6.426 0.474 0.488 1.00 0.48 N ATOM 1629 CA GLY A 103 -6.933 1.830 0.411 1.00 0.46 C ATOM 1630 C GLY A 103 -7.222 2.422 1.776 1.00 0.41 C ATOM 1631 O GLY A 103 -8.079 1.920 2.511 1.00 0.59 O ATOM 0 H GLY A 103 -5.565 0.368 1.024 1.00 0.48 H new ATOM 0 HA2 GLY A 103 -6.207 2.457 -0.107 1.00 0.46 H new ATOM 0 HA3 GLY A 103 -7.845 1.840 -0.186 1.00 0.46 H new ATOM 1635 N LEU A 104 -6.503 3.485 2.115 1.00 0.37 N ATOM 1636 CA LEU A 104 -6.683 4.161 3.393 1.00 0.34 C ATOM 1637 C LEU A 104 -7.476 5.449 3.190 1.00 0.34 C ATOM 1638 O LEU A 104 -7.887 5.759 2.069 1.00 0.49 O ATOM 1639 CB LEU A 104 -5.328 4.468 4.047 1.00 0.38 C ATOM 1640 CG LEU A 104 -4.501 5.571 3.374 1.00 0.46 C ATOM 1641 CD1 LEU A 104 -3.718 6.362 4.411 1.00 0.69 C ATOM 1642 CD2 LEU A 104 -3.557 4.979 2.338 1.00 0.66 C ATOM 0 H LEU A 104 -5.786 3.899 1.519 1.00 0.37 H new ATOM 0 HA LEU A 104 -7.237 3.500 4.059 1.00 0.34 H new ATOM 0 HB2 LEU A 104 -5.502 4.751 5.085 1.00 0.38 H new ATOM 0 HB3 LEU A 104 -4.736 3.553 4.061 1.00 0.38 H new ATOM 0 HG LEU A 104 -5.188 6.249 2.867 1.00 0.46 H new ATOM 0 HD11 LEU A 104 -3.138 7.139 3.914 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -4.410 6.821 5.117 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -3.044 5.693 4.946 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -2.980 5.778 1.873 1.00 0.66 H new ATOM 0 HD22 LEU A 104 -2.879 4.277 2.823 1.00 0.66 H new ATOM 0 HD23 LEU A 104 -4.135 4.457 1.575 1.00 0.66 H new ATOM 1654 N LYS A 105 -7.694 6.192 4.265 1.00 0.39 N ATOM 1655 CA LYS A 105 -8.436 7.438 4.179 1.00 0.41 C ATOM 1656 C LYS A 105 -7.663 8.578 4.832 1.00 0.32 C ATOM 1657 O LYS A 105 -7.065 8.403 5.897 1.00 0.34 O ATOM 1658 CB LYS A 105 -9.809 7.290 4.836 1.00 0.58 C ATOM 1659 CG LYS A 105 -10.883 8.130 4.176 1.00 0.58 C ATOM 1660 CD LYS A 105 -11.326 7.517 2.858 1.00 0.61 C ATOM 1661 CE LYS A 105 -12.483 8.285 2.239 1.00 0.73 C ATOM 1662 NZ LYS A 105 -12.072 9.621 1.733 1.00 0.60 N ATOM 0 H LYS A 105 -7.369 5.954 5.202 1.00 0.39 H new ATOM 0 HA LYS A 105 -8.574 7.676 3.124 1.00 0.41 H new ATOM 0 HB2 LYS A 105 -10.107 6.242 4.806 1.00 0.58 H new ATOM 0 HB3 LYS A 105 -9.733 7.570 5.887 1.00 0.58 H new ATOM 0 HG2 LYS A 105 -11.739 8.221 4.844 1.00 0.58 H new ATOM 0 HG3 LYS A 105 -10.505 9.138 4.003 1.00 0.58 H new ATOM 0 HD2 LYS A 105 -10.486 7.503 2.163 1.00 0.61 H new ATOM 0 HD3 LYS A 105 -11.623 6.481 3.021 1.00 0.61 H new ATOM 0 HE2 LYS A 105 -12.904 7.703 1.419 1.00 0.73 H new ATOM 0 HE3 LYS A 105 -13.272 8.408 2.981 1.00 0.73 H new ATOM 0 HZ1 LYS A 105 -12.908 10.132 1.383 1.00 0.60 H new ATOM 0 HZ2 LYS A 105 -11.632 10.164 2.503 1.00 0.60 H new ATOM 0 HZ3 LYS A 105 -11.388 9.503 0.958 1.00 0.60 H new ATOM 1676 N LYS A 106 -7.701 9.744 4.186 1.00 0.36 N ATOM 1677 CA LYS A 106 -7.013 10.948 4.669 1.00 0.46 C ATOM 1678 C LYS A 106 -7.144 11.121 6.184 1.00 0.51 C ATOM 1679 O LYS A 106 -6.207 11.570 6.844 1.00 0.67 O ATOM 1680 CB LYS A 106 -7.553 12.192 3.949 1.00 0.60 C ATOM 1681 CG LYS A 106 -9.057 12.393 4.093 1.00 0.67 C ATOM 1682 CD LYS A 106 -9.543 13.554 3.238 1.00 0.90 C ATOM 1683 CE LYS A 106 -11.033 13.810 3.427 1.00 1.14 C ATOM 1684 NZ LYS A 106 -11.499 14.991 2.653 1.00 1.43 N ATOM 0 H LYS A 106 -8.209 9.883 3.313 1.00 0.36 H new ATOM 0 HA LYS A 106 -5.953 10.827 4.444 1.00 0.46 H new ATOM 0 HB2 LYS A 106 -7.041 13.073 4.336 1.00 0.60 H new ATOM 0 HB3 LYS A 106 -7.307 12.120 2.890 1.00 0.60 H new ATOM 0 HG2 LYS A 106 -9.578 11.481 3.802 1.00 0.67 H new ATOM 0 HG3 LYS A 106 -9.303 12.580 5.138 1.00 0.67 H new ATOM 0 HD2 LYS A 106 -8.984 14.454 3.495 1.00 0.90 H new ATOM 0 HD3 LYS A 106 -9.341 13.342 2.188 1.00 0.90 H new ATOM 0 HE2 LYS A 106 -11.594 12.929 3.116 1.00 1.14 H new ATOM 0 HE3 LYS A 106 -11.243 13.965 4.485 1.00 1.14 H new ATOM 0 HZ1 LYS A 106 -12.518 15.129 2.810 1.00 1.43 H new ATOM 0 HZ2 LYS A 106 -10.982 15.837 2.967 1.00 1.43 H new ATOM 0 HZ3 LYS A 106 -11.323 14.834 1.640 1.00 1.43 H new ATOM 1698 N ASN A 107 -8.309 10.772 6.727 1.00 0.53 N ATOM 1699 CA ASN A 107 -8.559 10.872 8.166 1.00 0.70 C ATOM 1700 C ASN A 107 -7.428 10.223 8.971 1.00 0.65 C ATOM 1701 O ASN A 107 -7.081 10.692 10.057 1.00 0.82 O ATOM 1702 CB ASN A 107 -9.905 10.213 8.515 1.00 0.83 C ATOM 1703 CG ASN A 107 -9.858 9.372 9.787 1.00 1.04 C ATOM 1704 OD1 ASN A 107 -9.530 8.186 9.747 1.00 1.17 O ATOM 1705 ND2 ASN A 107 -10.195 9.973 10.921 1.00 1.38 N ATOM 0 H ASN A 107 -9.099 10.415 6.190 1.00 0.53 H new ATOM 0 HA ASN A 107 -8.598 11.929 8.431 1.00 0.70 H new ATOM 0 HB2 ASN A 107 -10.662 10.989 8.630 1.00 0.83 H new ATOM 0 HB3 ASN A 107 -10.219 9.582 7.683 1.00 0.83 H new ATOM 0 HD21 ASN A 107 -10.187 9.450 11.797 1.00 1.38 H new ATOM 0 HD22 ASN A 107 -10.462 10.958 10.917 1.00 1.38 H new ATOM 1712 N GLY A 108 -6.845 9.166 8.419 1.00 0.49 N ATOM 1713 CA GLY A 108 -5.780 8.457 9.101 1.00 0.55 C ATOM 1714 C GLY A 108 -6.222 7.068 9.510 1.00 0.52 C ATOM 1715 O GLY A 108 -5.973 6.629 10.636 1.00 1.00 O ATOM 0 H GLY A 108 -7.093 8.786 7.506 1.00 0.49 H new ATOM 0 HA2 GLY A 108 -4.910 8.387 8.448 1.00 0.55 H new ATOM 0 HA3 GLY A 108 -5.473 9.018 9.983 1.00 0.55 H new ATOM 1719 N SER A 109 -6.893 6.384 8.590 1.00 0.52 N ATOM 1720 CA SER A 109 -7.394 5.038 8.828 1.00 0.56 C ATOM 1721 C SER A 109 -7.384 4.247 7.524 1.00 0.51 C ATOM 1722 O SER A 109 -7.569 4.819 6.444 1.00 0.81 O ATOM 1723 CB SER A 109 -8.818 5.090 9.401 1.00 0.75 C ATOM 1724 OG SER A 109 -8.881 5.921 10.551 1.00 0.97 O ATOM 0 H SER A 109 -7.104 6.747 7.660 1.00 0.52 H new ATOM 0 HA SER A 109 -6.747 4.544 9.553 1.00 0.56 H new ATOM 0 HB2 SER A 109 -9.505 5.464 8.641 1.00 0.75 H new ATOM 0 HB3 SER A 109 -9.146 4.083 9.659 1.00 0.75 H new ATOM 0 HG SER A 109 -9.450 6.697 10.363 1.00 0.97 H new ATOM 1730 N CYS A 110 -7.163 2.943 7.620 1.00 0.37 N ATOM 1731 CA CYS A 110 -7.130 2.085 6.443 1.00 0.38 C ATOM 1732 C CYS A 110 -8.427 1.285 6.324 1.00 0.36 C ATOM 1733 O CYS A 110 -8.830 0.606 7.269 1.00 0.54 O ATOM 1734 CB CYS A 110 -5.931 1.138 6.521 1.00 0.47 C ATOM 1735 SG CYS A 110 -4.361 1.966 6.865 1.00 0.61 S ATOM 0 H CYS A 110 -7.004 2.456 8.502 1.00 0.37 H new ATOM 0 HA CYS A 110 -7.031 2.713 5.557 1.00 0.38 H new ATOM 0 HB2 CYS A 110 -6.117 0.396 7.298 1.00 0.47 H new ATOM 0 HB3 CYS A 110 -5.846 0.598 5.578 1.00 0.47 H new ATOM 0 HG CYS A 110 -3.407 1.084 6.914 1.00 0.61 H new ATOM 1741 N LYS A 111 -9.081 1.367 5.165 1.00 0.38 N ATOM 1742 CA LYS A 111 -10.329 0.645 4.942 1.00 0.44 C ATOM 1743 C LYS A 111 -10.098 -0.522 3.990 1.00 0.47 C ATOM 1744 O LYS A 111 -10.038 -0.343 2.769 1.00 0.88 O ATOM 1745 CB LYS A 111 -11.419 1.575 4.393 1.00 0.60 C ATOM 1746 CG LYS A 111 -11.902 2.616 5.394 1.00 0.69 C ATOM 1747 CD LYS A 111 -12.539 1.967 6.613 1.00 0.79 C ATOM 1748 CE LYS A 111 -13.178 3.003 7.527 1.00 0.94 C ATOM 1749 NZ LYS A 111 -13.573 2.420 8.835 1.00 1.27 N ATOM 0 H LYS A 111 -8.767 1.924 4.370 1.00 0.38 H new ATOM 0 HA LYS A 111 -10.672 0.258 5.901 1.00 0.44 H new ATOM 0 HB2 LYS A 111 -11.037 2.085 3.509 1.00 0.60 H new ATOM 0 HB3 LYS A 111 -12.269 0.973 4.071 1.00 0.60 H new ATOM 0 HG2 LYS A 111 -11.063 3.236 5.708 1.00 0.69 H new ATOM 0 HG3 LYS A 111 -12.624 3.276 4.913 1.00 0.69 H new ATOM 0 HD2 LYS A 111 -13.294 1.249 6.292 1.00 0.79 H new ATOM 0 HD3 LYS A 111 -11.783 1.409 7.166 1.00 0.79 H new ATOM 0 HE2 LYS A 111 -12.479 3.823 7.691 1.00 0.94 H new ATOM 0 HE3 LYS A 111 -14.056 3.426 7.038 1.00 0.94 H new ATOM 0 HZ1 LYS A 111 -14.004 3.158 9.428 1.00 1.27 H new ATOM 0 HZ2 LYS A 111 -14.260 1.655 8.681 1.00 1.27 H new ATOM 0 HZ3 LYS A 111 -12.732 2.039 9.313 1.00 1.27 H new ATOM 1763 N ARG A 112 -9.956 -1.713 4.562 1.00 0.36 N ATOM 1764 CA ARG A 112 -9.725 -2.920 3.782 1.00 0.36 C ATOM 1765 C ARG A 112 -10.577 -4.074 4.308 1.00 0.37 C ATOM 1766 O ARG A 112 -11.360 -4.664 3.562 1.00 0.47 O ATOM 1767 CB ARG A 112 -8.240 -3.304 3.822 1.00 0.39 C ATOM 1768 CG ARG A 112 -7.763 -4.062 2.591 1.00 0.42 C ATOM 1769 CD ARG A 112 -8.520 -5.366 2.389 1.00 0.55 C ATOM 1770 NE ARG A 112 -8.228 -6.354 3.437 1.00 0.81 N ATOM 1771 CZ ARG A 112 -9.129 -7.202 3.961 1.00 1.24 C ATOM 1772 NH1 ARG A 112 -10.414 -7.137 3.611 1.00 1.69 N ATOM 1773 NH2 ARG A 112 -8.742 -8.106 4.859 1.00 1.57 N ATOM 0 H ARG A 112 -9.997 -1.867 5.569 1.00 0.36 H new ATOM 0 HA ARG A 112 -10.011 -2.719 2.750 1.00 0.36 H new ATOM 0 HB2 ARG A 112 -7.644 -2.398 3.932 1.00 0.39 H new ATOM 0 HB3 ARG A 112 -8.057 -3.915 4.706 1.00 0.39 H new ATOM 0 HG2 ARG A 112 -7.885 -3.433 1.709 1.00 0.42 H new ATOM 0 HG3 ARG A 112 -6.698 -4.273 2.687 1.00 0.42 H new ATOM 0 HD2 ARG A 112 -9.591 -5.162 2.374 1.00 0.55 H new ATOM 0 HD3 ARG A 112 -8.262 -5.785 1.417 1.00 0.55 H new ATOM 0 HE ARG A 112 -7.273 -6.399 3.792 1.00 0.81 H new ATOM 0 HH11 ARG A 112 -10.724 -6.437 2.937 1.00 1.69 H new ATOM 0 HH12 ARG A 112 -11.087 -7.787 4.017 1.00 1.69 H new ATOM 0 HH21 ARG A 112 -7.765 -8.153 5.147 1.00 1.57 H new ATOM 0 HH22 ARG A 112 -9.423 -8.751 5.259 1.00 1.57 H new ATOM 1787 N GLY A 113 -10.412 -4.387 5.594 1.00 0.36 N ATOM 1788 CA GLY A 113 -11.155 -5.475 6.210 1.00 0.43 C ATOM 1789 C GLY A 113 -12.658 -5.253 6.223 1.00 0.41 C ATOM 1790 O GLY A 113 -13.388 -5.929 5.495 1.00 0.46 O ATOM 0 H GLY A 113 -9.772 -3.902 6.223 1.00 0.36 H new ATOM 0 HA2 GLY A 113 -10.937 -6.400 5.677 1.00 0.43 H new ATOM 0 HA3 GLY A 113 -10.807 -5.608 7.234 1.00 0.43 H new ATOM 1794 N PRO A 114 -13.145 -4.306 7.049 1.00 0.44 N ATOM 1795 CA PRO A 114 -14.574 -4.001 7.177 1.00 0.50 C ATOM 1796 C PRO A 114 -15.325 -4.067 5.850 1.00 0.41 C ATOM 1797 O PRO A 114 -16.331 -4.770 5.728 1.00 0.45 O ATOM 1798 CB PRO A 114 -14.561 -2.576 7.718 1.00 0.62 C ATOM 1799 CG PRO A 114 -13.333 -2.508 8.556 1.00 0.71 C ATOM 1800 CD PRO A 114 -12.332 -3.447 7.931 1.00 0.52 C ATOM 0 HA PRO A 114 -15.091 -4.721 7.811 1.00 0.50 H new ATOM 0 HB2 PRO A 114 -14.531 -1.845 6.910 1.00 0.62 H new ATOM 0 HB3 PRO A 114 -15.455 -2.366 8.305 1.00 0.62 H new ATOM 0 HG2 PRO A 114 -12.942 -1.491 8.589 1.00 0.71 H new ATOM 0 HG3 PRO A 114 -13.549 -2.800 9.584 1.00 0.71 H new ATOM 0 HD2 PRO A 114 -11.573 -2.903 7.368 1.00 0.52 H new ATOM 0 HD3 PRO A 114 -11.810 -4.033 8.687 1.00 0.52 H new ATOM 1808 N ARG A 115 -14.837 -3.332 4.860 1.00 0.38 N ATOM 1809 CA ARG A 115 -15.457 -3.304 3.544 1.00 0.39 C ATOM 1810 C ARG A 115 -14.599 -2.506 2.574 1.00 0.44 C ATOM 1811 O ARG A 115 -14.223 -1.367 2.856 1.00 0.81 O ATOM 1812 CB ARG A 115 -16.863 -2.695 3.618 1.00 0.51 C ATOM 1813 CG ARG A 115 -17.597 -2.680 2.283 1.00 0.57 C ATOM 1814 CD ARG A 115 -18.813 -1.762 2.318 1.00 0.69 C ATOM 1815 NE ARG A 115 -18.449 -0.371 2.608 1.00 0.90 N ATOM 1816 CZ ARG A 115 -19.236 0.685 2.372 1.00 1.11 C ATOM 1817 NH1 ARG A 115 -20.430 0.523 1.804 1.00 1.30 N ATOM 1818 NH2 ARG A 115 -18.820 1.909 2.698 1.00 1.47 N ATOM 0 H ARG A 115 -14.008 -2.744 4.945 1.00 0.38 H new ATOM 0 HA ARG A 115 -15.541 -4.330 3.186 1.00 0.39 H new ATOM 0 HB2 ARG A 115 -17.455 -3.257 4.341 1.00 0.51 H new ATOM 0 HB3 ARG A 115 -16.787 -1.674 3.992 1.00 0.51 H new ATOM 0 HG2 ARG A 115 -16.916 -2.352 1.497 1.00 0.57 H new ATOM 0 HG3 ARG A 115 -17.912 -3.692 2.030 1.00 0.57 H new ATOM 0 HD2 ARG A 115 -19.329 -1.808 1.359 1.00 0.69 H new ATOM 0 HD3 ARG A 115 -19.513 -2.118 3.074 1.00 0.69 H new ATOM 0 HE ARG A 115 -17.532 -0.197 3.018 1.00 0.90 H new ATOM 0 HH11 ARG A 115 -20.750 -0.411 1.546 1.00 1.30 H new ATOM 0 HH12 ARG A 115 -21.025 1.333 1.627 1.00 1.30 H new ATOM 0 HH21 ARG A 115 -17.903 2.039 3.126 1.00 1.47 H new ATOM 0 HH22 ARG A 115 -19.418 2.716 2.519 1.00 1.47 H new ATOM 1832 N THR A 116 -14.286 -3.108 1.438 1.00 0.36 N ATOM 1833 CA THR A 116 -13.479 -2.454 0.423 1.00 0.38 C ATOM 1834 C THR A 116 -13.876 -2.965 -0.964 1.00 0.39 C ATOM 1835 O THR A 116 -13.655 -4.130 -1.295 1.00 0.51 O ATOM 1836 CB THR A 116 -11.968 -2.675 0.690 1.00 0.45 C ATOM 1837 OG1 THR A 116 -11.177 -1.803 -0.136 1.00 0.57 O ATOM 1838 CG2 THR A 116 -11.566 -4.127 0.449 1.00 0.58 C ATOM 0 H THR A 116 -14.581 -4.054 1.196 1.00 0.36 H new ATOM 0 HA THR A 116 -13.664 -1.381 0.464 1.00 0.38 H new ATOM 0 HB THR A 116 -11.781 -2.440 1.738 1.00 0.45 H new ATOM 0 HG1 THR A 116 -10.414 -2.299 -0.499 1.00 0.57 H new ATOM 0 HG21 THR A 116 -10.501 -4.247 0.645 1.00 0.58 H new ATOM 0 HG22 THR A 116 -12.133 -4.777 1.115 1.00 0.58 H new ATOM 0 HG23 THR A 116 -11.777 -4.396 -0.586 1.00 0.58 H new ATOM 1846 N HIS A 117 -14.503 -2.094 -1.751 1.00 0.37 N ATOM 1847 CA HIS A 117 -14.958 -2.435 -3.100 1.00 0.39 C ATOM 1848 C HIS A 117 -15.507 -1.192 -3.792 1.00 0.36 C ATOM 1849 O HIS A 117 -15.102 -0.858 -4.900 1.00 0.42 O ATOM 1850 CB HIS A 117 -16.044 -3.520 -3.057 1.00 0.43 C ATOM 1851 CG HIS A 117 -15.513 -4.918 -3.181 1.00 0.57 C ATOM 1852 ND1 HIS A 117 -15.875 -5.934 -2.324 1.00 0.85 N ATOM 1853 CD2 HIS A 117 -14.640 -5.467 -4.060 1.00 0.77 C ATOM 1854 CE1 HIS A 117 -15.250 -7.045 -2.669 1.00 0.95 C ATOM 1855 NE2 HIS A 117 -14.494 -6.791 -3.720 1.00 0.89 N ATOM 0 H HIS A 117 -14.710 -1.134 -1.474 1.00 0.37 H new ATOM 0 HA HIS A 117 -14.105 -2.820 -3.659 1.00 0.39 H new ATOM 0 HB2 HIS A 117 -16.594 -3.433 -2.120 1.00 0.43 H new ATOM 0 HB3 HIS A 117 -16.756 -3.340 -3.862 1.00 0.43 H new ATOM 0 HD2 HIS A 117 -14.150 -4.958 -4.877 1.00 0.77 H new ATOM 0 HE1 HIS A 117 -15.342 -8.001 -2.174 1.00 0.95 H new ATOM 0 HE2 HIS A 117 -13.899 -7.466 -4.201 1.00 0.89 H new ATOM 1864 N TYR A 118 -16.433 -0.514 -3.117 1.00 0.38 N ATOM 1865 CA TYR A 118 -17.042 0.698 -3.648 1.00 0.41 C ATOM 1866 C TYR A 118 -16.182 1.903 -3.289 1.00 0.39 C ATOM 1867 O TYR A 118 -15.575 1.939 -2.214 1.00 0.48 O ATOM 1868 CB TYR A 118 -18.461 0.882 -3.091 1.00 0.51 C ATOM 1869 CG TYR A 118 -19.340 -0.341 -3.236 1.00 0.56 C ATOM 1870 CD1 TYR A 118 -19.978 -0.628 -4.437 1.00 0.79 C ATOM 1871 CD2 TYR A 118 -19.536 -1.207 -2.166 1.00 0.75 C ATOM 1872 CE1 TYR A 118 -20.788 -1.740 -4.567 1.00 0.92 C ATOM 1873 CE2 TYR A 118 -20.342 -2.323 -2.290 1.00 0.87 C ATOM 1874 CZ TYR A 118 -20.966 -2.585 -3.492 1.00 0.86 C ATOM 1875 OH TYR A 118 -21.778 -3.693 -3.616 1.00 1.05 O ATOM 0 H TYR A 118 -16.778 -0.787 -2.197 1.00 0.38 H new ATOM 0 HA TYR A 118 -17.108 0.609 -4.732 1.00 0.41 H new ATOM 0 HB2 TYR A 118 -18.395 1.147 -2.036 1.00 0.51 H new ATOM 0 HB3 TYR A 118 -18.935 1.721 -3.601 1.00 0.51 H new ATOM 0 HD1 TYR A 118 -19.838 0.029 -5.283 1.00 0.79 H new ATOM 0 HD2 TYR A 118 -19.051 -1.004 -1.223 1.00 0.75 H new ATOM 0 HE1 TYR A 118 -21.279 -1.946 -5.506 1.00 0.92 H new ATOM 0 HE2 TYR A 118 -20.483 -2.987 -1.450 1.00 0.87 H new ATOM 0 HH TYR A 118 -21.795 -4.183 -2.767 1.00 1.05 H new ATOM 1885 N GLY A 119 -16.130 2.882 -4.185 1.00 0.38 N ATOM 1886 CA GLY A 119 -15.336 4.069 -3.945 1.00 0.39 C ATOM 1887 C GLY A 119 -13.952 3.959 -4.554 1.00 0.37 C ATOM 1888 O GLY A 119 -13.211 3.017 -4.261 1.00 0.44 O ATOM 0 H GLY A 119 -16.626 2.873 -5.076 1.00 0.38 H new ATOM 0 HA2 GLY A 119 -15.847 4.937 -4.361 1.00 0.39 H new ATOM 0 HA3 GLY A 119 -15.248 4.235 -2.871 1.00 0.39 H new ATOM 1892 N GLN A 120 -13.604 4.927 -5.399 1.00 0.37 N ATOM 1893 CA GLN A 120 -12.304 4.954 -6.070 1.00 0.38 C ATOM 1894 C GLN A 120 -11.163 4.559 -5.132 1.00 0.37 C ATOM 1895 O GLN A 120 -10.228 3.879 -5.545 1.00 0.34 O ATOM 1896 CB GLN A 120 -12.036 6.343 -6.650 1.00 0.50 C ATOM 1897 CG GLN A 120 -12.725 6.589 -7.982 1.00 0.64 C ATOM 1898 CD GLN A 120 -12.845 8.065 -8.309 1.00 0.80 C ATOM 1899 OE1 GLN A 120 -11.927 8.670 -8.865 1.00 0.99 O ATOM 1900 NE2 GLN A 120 -13.979 8.656 -7.965 1.00 1.00 N ATOM 0 H GLN A 120 -14.211 5.711 -5.638 1.00 0.37 H new ATOM 0 HA GLN A 120 -12.342 4.220 -6.875 1.00 0.38 H new ATOM 0 HB2 GLN A 120 -12.367 7.096 -5.935 1.00 0.50 H new ATOM 0 HB3 GLN A 120 -10.961 6.474 -6.777 1.00 0.50 H new ATOM 0 HG2 GLN A 120 -12.167 6.089 -8.774 1.00 0.64 H new ATOM 0 HG3 GLN A 120 -13.719 6.143 -7.961 1.00 0.64 H new ATOM 0 HE21 GLN A 120 -14.715 8.119 -7.506 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -14.116 9.648 -8.159 1.00 1.00 H new ATOM 1909 N LYS A 121 -11.254 4.972 -3.868 1.00 0.51 N ATOM 1910 CA LYS A 121 -10.219 4.662 -2.879 1.00 0.61 C ATOM 1911 C LYS A 121 -9.861 3.171 -2.882 1.00 0.58 C ATOM 1912 O LYS A 121 -8.742 2.798 -2.540 1.00 0.70 O ATOM 1913 CB LYS A 121 -10.669 5.086 -1.469 1.00 0.89 C ATOM 1914 CG LYS A 121 -11.483 4.032 -0.722 1.00 1.06 C ATOM 1915 CD LYS A 121 -10.583 3.019 -0.011 1.00 1.39 C ATOM 1916 CE LYS A 121 -11.284 1.681 0.175 1.00 1.34 C ATOM 1917 NZ LYS A 121 -10.326 0.557 0.381 1.00 1.70 N ATOM 0 H LYS A 121 -12.032 5.521 -3.504 1.00 0.51 H new ATOM 0 HA LYS A 121 -9.329 5.226 -3.157 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -9.787 5.332 -0.878 1.00 0.89 H new ATOM 0 HB3 LYS A 121 -11.263 5.996 -1.549 1.00 0.89 H new ATOM 0 HG2 LYS A 121 -12.128 4.521 0.008 1.00 1.06 H new ATOM 0 HG3 LYS A 121 -12.134 3.511 -1.424 1.00 1.06 H new ATOM 0 HD2 LYS A 121 -9.670 2.875 -0.588 1.00 1.39 H new ATOM 0 HD3 LYS A 121 -10.287 3.414 0.961 1.00 1.39 H new ATOM 0 HE2 LYS A 121 -11.956 1.743 1.031 1.00 1.34 H new ATOM 0 HE3 LYS A 121 -11.900 1.473 -0.700 1.00 1.34 H new ATOM 0 HZ1 LYS A 121 -10.827 -0.349 0.283 1.00 1.70 H new ATOM 0 HZ2 LYS A 121 -9.568 0.612 -0.329 1.00 1.70 H new ATOM 0 HZ3 LYS A 121 -9.913 0.623 1.333 1.00 1.70 H new ATOM 1931 N ALA A 122 -10.818 2.323 -3.254 1.00 0.54 N ATOM 1932 CA ALA A 122 -10.590 0.883 -3.271 1.00 0.65 C ATOM 1933 C ALA A 122 -9.903 0.411 -4.554 1.00 0.57 C ATOM 1934 O ALA A 122 -9.328 -0.678 -4.579 1.00 0.72 O ATOM 1935 CB ALA A 122 -11.907 0.141 -3.080 1.00 0.77 C ATOM 0 H ALA A 122 -11.753 2.608 -3.546 1.00 0.54 H new ATOM 0 HA ALA A 122 -9.916 0.657 -2.444 1.00 0.65 H new ATOM 0 HB1 ALA A 122 -11.725 -0.934 -3.094 1.00 0.77 H new ATOM 0 HB2 ALA A 122 -12.347 0.422 -2.123 1.00 0.77 H new ATOM 0 HB3 ALA A 122 -12.593 0.403 -3.886 1.00 0.77 H new ATOM 1941 N ILE A 123 -9.945 1.219 -5.614 1.00 0.43 N ATOM 1942 CA ILE A 123 -9.339 0.822 -6.884 1.00 0.48 C ATOM 1943 C ILE A 123 -8.691 2.011 -7.598 1.00 0.41 C ATOM 1944 O ILE A 123 -8.810 2.152 -8.817 1.00 0.61 O ATOM 1945 CB ILE A 123 -10.376 0.174 -7.841 1.00 0.61 C ATOM 1946 CG1 ILE A 123 -11.471 -0.564 -7.064 1.00 0.74 C ATOM 1947 CG2 ILE A 123 -9.682 -0.784 -8.799 1.00 0.77 C ATOM 1948 CD1 ILE A 123 -12.599 0.333 -6.597 1.00 0.79 C ATOM 0 H ILE A 123 -10.386 2.139 -5.619 1.00 0.43 H new ATOM 0 HA ILE A 123 -8.572 0.088 -6.635 1.00 0.48 H new ATOM 0 HB ILE A 123 -10.848 0.974 -8.411 1.00 0.61 H new ATOM 0 HG12 ILE A 123 -11.883 -1.352 -7.695 1.00 0.74 H new ATOM 0 HG13 ILE A 123 -11.024 -1.051 -6.197 1.00 0.74 H new ATOM 0 HG21 ILE A 123 -10.420 -1.232 -9.464 1.00 0.77 H new ATOM 0 HG22 ILE A 123 -8.945 -0.239 -9.389 1.00 0.77 H new ATOM 0 HG23 ILE A 123 -9.183 -1.569 -8.231 1.00 0.77 H new ATOM 0 HD11 ILE A 123 -13.335 -0.261 -6.055 1.00 0.79 H new ATOM 0 HD12 ILE A 123 -12.201 1.106 -5.940 1.00 0.79 H new ATOM 0 HD13 ILE A 123 -13.074 0.800 -7.460 1.00 0.79 H new ATOM 1960 N LEU A 124 -8.006 2.868 -6.847 1.00 0.31 N ATOM 1961 CA LEU A 124 -7.350 4.029 -7.440 1.00 0.29 C ATOM 1962 C LEU A 124 -6.080 4.401 -6.673 1.00 0.26 C ATOM 1963 O LEU A 124 -6.026 5.426 -5.985 1.00 0.38 O ATOM 1964 CB LEU A 124 -8.315 5.217 -7.490 1.00 0.33 C ATOM 1965 CG LEU A 124 -7.890 6.368 -8.405 1.00 0.50 C ATOM 1966 CD1 LEU A 124 -7.673 5.869 -9.825 1.00 0.63 C ATOM 1967 CD2 LEU A 124 -8.934 7.475 -8.378 1.00 0.58 C ATOM 0 H LEU A 124 -7.891 2.783 -5.837 1.00 0.31 H new ATOM 0 HA LEU A 124 -7.060 3.769 -8.458 1.00 0.29 H new ATOM 0 HB2 LEU A 124 -9.291 4.857 -7.816 1.00 0.33 H new ATOM 0 HB3 LEU A 124 -8.439 5.605 -6.479 1.00 0.33 H new ATOM 0 HG LEU A 124 -6.947 6.773 -8.039 1.00 0.50 H new ATOM 0 HD11 LEU A 124 -7.371 6.701 -10.461 1.00 0.63 H new ATOM 0 HD12 LEU A 124 -6.892 5.108 -9.828 1.00 0.63 H new ATOM 0 HD13 LEU A 124 -8.600 5.439 -10.205 1.00 0.63 H new ATOM 0 HD21 LEU A 124 -8.620 8.288 -9.033 1.00 0.58 H new ATOM 0 HD22 LEU A 124 -9.891 7.081 -8.722 1.00 0.58 H new ATOM 0 HD23 LEU A 124 -9.041 7.850 -7.360 1.00 0.58 H new ATOM 1979 N PHE A 125 -5.063 3.551 -6.793 1.00 0.20 N ATOM 1980 CA PHE A 125 -3.783 3.776 -6.130 1.00 0.23 C ATOM 1981 C PHE A 125 -2.718 4.158 -7.154 1.00 0.17 C ATOM 1982 O PHE A 125 -2.543 3.464 -8.164 1.00 0.18 O ATOM 1983 CB PHE A 125 -3.340 2.521 -5.366 1.00 0.33 C ATOM 1984 CG PHE A 125 -4.450 1.843 -4.611 1.00 0.30 C ATOM 1985 CD1 PHE A 125 -5.039 2.458 -3.520 1.00 0.40 C ATOM 1986 CD2 PHE A 125 -4.910 0.596 -5.000 1.00 0.41 C ATOM 1987 CE1 PHE A 125 -6.063 1.841 -2.830 1.00 0.51 C ATOM 1988 CE2 PHE A 125 -5.933 -0.027 -4.313 1.00 0.51 C ATOM 1989 CZ PHE A 125 -6.511 0.599 -3.228 1.00 0.54 C ATOM 0 H PHE A 125 -5.102 2.695 -7.347 1.00 0.20 H new ATOM 0 HA PHE A 125 -3.907 4.593 -5.419 1.00 0.23 H new ATOM 0 HB2 PHE A 125 -2.908 1.812 -6.072 1.00 0.33 H new ATOM 0 HB3 PHE A 125 -2.551 2.794 -4.665 1.00 0.33 H new ATOM 0 HD1 PHE A 125 -4.694 3.432 -3.205 1.00 0.40 H new ATOM 0 HD2 PHE A 125 -4.463 0.105 -5.851 1.00 0.41 H new ATOM 0 HE1 PHE A 125 -6.513 2.331 -1.979 1.00 0.51 H new ATOM 0 HE2 PHE A 125 -6.280 -1.001 -4.624 1.00 0.51 H new ATOM 0 HZ PHE A 125 -7.314 0.117 -2.691 1.00 0.54 H new ATOM 1999 N LEU A 126 -2.010 5.249 -6.890 1.00 0.18 N ATOM 2000 CA LEU A 126 -0.967 5.732 -7.788 1.00 0.19 C ATOM 2001 C LEU A 126 0.412 5.627 -7.130 1.00 0.20 C ATOM 2002 O LEU A 126 0.791 6.473 -6.314 1.00 0.33 O ATOM 2003 CB LEU A 126 -1.250 7.182 -8.200 1.00 0.32 C ATOM 2004 CG LEU A 126 -0.218 7.804 -9.146 1.00 0.39 C ATOM 2005 CD1 LEU A 126 -0.154 7.037 -10.461 1.00 0.44 C ATOM 2006 CD2 LEU A 126 -0.543 9.269 -9.399 1.00 0.59 C ATOM 0 H LEU A 126 -2.140 5.820 -6.055 1.00 0.18 H new ATOM 0 HA LEU A 126 -0.968 5.105 -8.680 1.00 0.19 H new ATOM 0 HB2 LEU A 126 -2.229 7.223 -8.678 1.00 0.32 H new ATOM 0 HB3 LEU A 126 -1.309 7.794 -7.300 1.00 0.32 H new ATOM 0 HG LEU A 126 0.760 7.742 -8.669 1.00 0.39 H new ATOM 0 HD11 LEU A 126 0.586 7.498 -11.115 1.00 0.44 H new ATOM 0 HD12 LEU A 126 0.129 6.003 -10.266 1.00 0.44 H new ATOM 0 HD13 LEU A 126 -1.131 7.061 -10.944 1.00 0.44 H new ATOM 0 HD21 LEU A 126 0.200 9.695 -10.073 1.00 0.59 H new ATOM 0 HD22 LEU A 126 -1.532 9.350 -9.851 1.00 0.59 H new ATOM 0 HD23 LEU A 126 -0.531 9.813 -8.454 1.00 0.59 H new ATOM 2018 N PRO A 127 1.166 4.565 -7.453 1.00 0.21 N ATOM 2019 CA PRO A 127 2.495 4.331 -6.920 1.00 0.29 C ATOM 2020 C PRO A 127 3.586 4.751 -7.903 1.00 0.25 C ATOM 2021 O PRO A 127 3.343 4.847 -9.109 1.00 0.38 O ATOM 2022 CB PRO A 127 2.483 2.817 -6.751 1.00 0.42 C ATOM 2023 CG PRO A 127 1.642 2.314 -7.889 1.00 0.43 C ATOM 2024 CD PRO A 127 0.784 3.474 -8.357 1.00 0.32 C ATOM 0 HA PRO A 127 2.707 4.894 -6.011 1.00 0.29 H new ATOM 0 HB2 PRO A 127 3.492 2.406 -6.792 1.00 0.42 H new ATOM 0 HB3 PRO A 127 2.060 2.529 -5.788 1.00 0.42 H new ATOM 0 HG2 PRO A 127 2.271 1.948 -8.701 1.00 0.43 H new ATOM 0 HG3 PRO A 127 1.019 1.479 -7.568 1.00 0.43 H new ATOM 0 HD2 PRO A 127 0.983 3.727 -9.398 1.00 0.32 H new ATOM 0 HD3 PRO A 127 -0.279 3.244 -8.282 1.00 0.32 H new ATOM 2032 N LEU A 128 4.784 5.004 -7.391 1.00 0.22 N ATOM 2033 CA LEU A 128 5.899 5.389 -8.251 1.00 0.21 C ATOM 2034 C LEU A 128 6.252 4.229 -9.187 1.00 0.23 C ATOM 2035 O LEU A 128 6.167 3.061 -8.788 1.00 0.26 O ATOM 2036 CB LEU A 128 7.124 5.791 -7.418 1.00 0.23 C ATOM 2037 CG LEU A 128 8.142 6.679 -8.139 1.00 0.30 C ATOM 2038 CD1 LEU A 128 7.504 7.997 -8.554 1.00 0.38 C ATOM 2039 CD2 LEU A 128 9.351 6.934 -7.251 1.00 0.37 C ATOM 0 H LEU A 128 5.008 4.951 -6.397 1.00 0.22 H new ATOM 0 HA LEU A 128 5.598 6.253 -8.844 1.00 0.21 H new ATOM 0 HB2 LEU A 128 6.780 6.312 -6.524 1.00 0.23 H new ATOM 0 HB3 LEU A 128 7.629 4.885 -7.084 1.00 0.23 H new ATOM 0 HG LEU A 128 8.474 6.158 -9.037 1.00 0.30 H new ATOM 0 HD11 LEU A 128 8.243 8.614 -9.065 1.00 0.38 H new ATOM 0 HD12 LEU A 128 6.668 7.801 -9.226 1.00 0.38 H new ATOM 0 HD13 LEU A 128 7.143 8.521 -7.669 1.00 0.38 H new ATOM 0 HD21 LEU A 128 10.064 7.567 -7.780 1.00 0.37 H new ATOM 0 HD22 LEU A 128 9.032 7.433 -6.336 1.00 0.37 H new ATOM 0 HD23 LEU A 128 9.825 5.985 -7.000 1.00 0.37 H new ATOM 2051 N PRO A 129 6.643 4.534 -10.438 1.00 0.27 N ATOM 2052 CA PRO A 129 7.001 3.515 -11.440 1.00 0.33 C ATOM 2053 C PRO A 129 8.109 2.565 -10.976 1.00 0.33 C ATOM 2054 O PRO A 129 8.227 1.449 -11.484 1.00 0.67 O ATOM 2055 CB PRO A 129 7.485 4.342 -12.635 1.00 0.45 C ATOM 2056 CG PRO A 129 6.833 5.670 -12.467 1.00 0.47 C ATOM 2057 CD PRO A 129 6.753 5.900 -10.988 1.00 0.30 C ATOM 0 HA PRO A 129 6.153 2.865 -11.656 1.00 0.33 H new ATOM 0 HB2 PRO A 129 8.571 4.432 -12.640 1.00 0.45 H new ATOM 0 HB3 PRO A 129 7.200 3.878 -13.579 1.00 0.45 H new ATOM 0 HG2 PRO A 129 7.412 6.455 -12.954 1.00 0.47 H new ATOM 0 HG3 PRO A 129 5.841 5.679 -12.919 1.00 0.47 H new ATOM 0 HD2 PRO A 129 7.637 6.415 -10.612 1.00 0.30 H new ATOM 0 HD3 PRO A 129 5.891 6.512 -10.722 1.00 0.30 H new ATOM 2065 N VAL A 130 8.924 3.010 -10.021 1.00 0.37 N ATOM 2066 CA VAL A 130 10.017 2.191 -9.505 1.00 0.35 C ATOM 2067 C VAL A 130 9.495 0.890 -8.888 1.00 0.38 C ATOM 2068 O VAL A 130 9.036 0.867 -7.744 1.00 0.57 O ATOM 2069 CB VAL A 130 10.880 2.955 -8.472 1.00 0.40 C ATOM 2070 CG1 VAL A 130 11.663 4.065 -9.156 1.00 0.47 C ATOM 2071 CG2 VAL A 130 10.025 3.520 -7.346 1.00 0.44 C ATOM 0 H VAL A 130 8.848 3.931 -9.590 1.00 0.37 H new ATOM 0 HA VAL A 130 10.650 1.947 -10.358 1.00 0.35 H new ATOM 0 HB VAL A 130 11.584 2.248 -8.032 1.00 0.40 H new ATOM 0 HG11 VAL A 130 12.265 4.594 -8.417 1.00 0.47 H new ATOM 0 HG12 VAL A 130 12.316 3.635 -9.916 1.00 0.47 H new ATOM 0 HG13 VAL A 130 10.970 4.763 -9.626 1.00 0.47 H new ATOM 0 HG21 VAL A 130 10.661 4.051 -6.637 1.00 0.44 H new ATOM 0 HG22 VAL A 130 9.288 4.209 -7.759 1.00 0.44 H new ATOM 0 HG23 VAL A 130 9.513 2.705 -6.834 1.00 0.44 H new ATOM 2081 N SER A 131 9.552 -0.181 -9.669 1.00 0.34 N ATOM 2082 CA SER A 131 9.104 -1.500 -9.233 1.00 0.40 C ATOM 2083 C SER A 131 9.934 -2.591 -9.917 1.00 0.39 C ATOM 2084 O SER A 131 10.810 -2.292 -10.739 1.00 0.47 O ATOM 2085 CB SER A 131 7.611 -1.687 -9.541 1.00 0.50 C ATOM 2086 OG SER A 131 6.795 -1.072 -8.556 1.00 0.88 O ATOM 0 H SER A 131 9.910 -0.161 -10.624 1.00 0.34 H new ATOM 0 HA SER A 131 9.245 -1.580 -8.155 1.00 0.40 H new ATOM 0 HB2 SER A 131 7.384 -1.263 -10.519 1.00 0.50 H new ATOM 0 HB3 SER A 131 7.380 -2.751 -9.594 1.00 0.50 H new ATOM 0 HG SER A 131 6.085 -1.691 -8.287 1.00 0.88 H new ATOM 2092 N SER A 132 9.668 -3.849 -9.574 1.00 0.48 N ATOM 2093 CA SER A 132 10.389 -4.976 -10.156 1.00 0.54 C ATOM 2094 C SER A 132 9.518 -5.715 -11.166 1.00 0.49 C ATOM 2095 O SER A 132 8.577 -6.416 -10.794 1.00 0.96 O ATOM 2096 CB SER A 132 10.850 -5.947 -9.060 1.00 0.76 C ATOM 2097 OG SER A 132 11.670 -5.294 -8.101 1.00 1.03 O ATOM 0 H SER A 132 8.956 -4.113 -8.893 1.00 0.48 H new ATOM 0 HA SER A 132 11.265 -4.581 -10.672 1.00 0.54 H new ATOM 0 HB2 SER A 132 9.980 -6.378 -8.564 1.00 0.76 H new ATOM 0 HB3 SER A 132 11.401 -6.772 -9.511 1.00 0.76 H new ATOM 0 HG SER A 132 11.545 -4.324 -8.169 1.00 1.03 H new ATOM 2103 N ASP A 133 9.828 -5.529 -12.441 1.00 0.56 N ATOM 2104 CA ASP A 133 9.094 -6.188 -13.513 1.00 0.58 C ATOM 2105 C ASP A 133 9.743 -7.525 -13.834 1.00 0.63 C ATOM 2106 O ASP A 133 10.877 -7.523 -14.360 1.00 0.80 O ATOM 2107 CB ASP A 133 9.063 -5.309 -14.766 1.00 0.80 C ATOM 2108 CG ASP A 133 8.206 -5.894 -15.874 1.00 0.92 C ATOM 2109 OD1 ASP A 133 8.581 -6.936 -16.447 1.00 1.07 O ATOM 2110 OD2 ASP A 133 7.151 -5.305 -16.184 1.00 1.06 O ATOM 2111 OXT ASP A 133 9.134 -8.572 -13.540 1.00 0.75 O ATOM 0 H ASP A 133 10.586 -4.925 -12.760 1.00 0.56 H new ATOM 0 HA ASP A 133 8.069 -6.354 -13.182 1.00 0.58 H new ATOM 0 HB2 ASP A 133 8.684 -4.322 -14.502 1.00 0.80 H new ATOM 0 HB3 ASP A 133 10.080 -5.172 -15.133 1.00 0.80 H new