USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 990 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 57 ASN : amide:sc= 0.708 X(o=0.99,f=0.68) USER MOD Set 1.2: A 92 SER OG : rot -40:sc= 0.278 USER MOD Set 2.1: A 16 SER OG : rot -122:sc= 1.07 USER MOD Set 2.2: A 17 SER OG : rot -80:sc= 0.957 USER MOD Single : A 19 ASN : amide:sc= 0.819 K(o=0.82,f=-1.7!) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0164) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= -1.15 (180deg=-2.56!) USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00469 USER MOD Single : A 29 MET CE :methyl 145:sc= -2.19! (180deg=-3.91!) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.29 (180deg=1.25) USER MOD Single : A 36 MET CE :methyl 171:sc= 0 (180deg=-0.146) USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 42 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.26) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= -0.0132 (180deg=-0.111) USER MOD Single : A 51 TYR OH : rot 112:sc= -0.243 USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0412) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0125 USER MOD Single : A 69 ASN : amide:sc= 0.795 K(o=0.79,f=-6.4!) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 2.46 (180deg=2.05) USER MOD Single : A 74 LYS NZ :NH3+ 141:sc= -0.67 (180deg=-2.65!) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0206) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.000604 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0.0097) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0287 USER MOD Single : A 101 SER OG : rot -33:sc= 0.193 USER MOD Single : A 103 LYS NZ :NH3+ 166:sc= -0.0258 (180deg=-0.262) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.893 K(o=-0.89,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc=-0.00534 (180deg=-0.00534) USER MOD Single : A 112 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.71) USER MOD Single : A 114 LYS NZ :NH3+ -142:sc= -1.83! (180deg=-3.43!) USER MOD Single : A 116 LYS NZ :NH3+ 163:sc= -0.0457 (180deg=-0.344) USER MOD Single : A 118 GLN : amide:sc= -0.968 K(o=-0.97,f=0) USER MOD Single : A 120 ASN : amide:sc= -0.682 K(o=-0.68,f=-5.2!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl 162:sc= -1.03 (180deg=-1.47) USER MOD Single : A 126 LYS NZ :NH3+ 178:sc= 0.17 (180deg=0.164) USER MOD Single : A 128 THR OG1 : rot -43:sc= 1.28 USER MOD Single : A 131 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 133 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.71) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 -17.754 5.774 -0.241 1.00 0.00 N ATOM 2 CA GLY A 15 -16.472 5.074 -0.004 1.00 0.00 C ATOM 3 C GLY A 15 -16.329 3.854 -0.883 1.00 0.00 C ATOM 4 O GLY A 15 -17.043 3.709 -1.874 1.00 0.00 O ATOM 0 HA2 GLY A 15 -15.644 5.757 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.408 4.777 1.043 1.00 0.00 H new ATOM 10 N SER A 16 -15.415 2.971 -0.523 1.00 0.00 N ATOM 11 CA SER A 16 -15.184 1.764 -1.296 1.00 0.00 C ATOM 12 C SER A 16 -15.833 0.565 -0.614 1.00 0.00 C ATOM 13 O SER A 16 -16.561 -0.208 -1.242 1.00 0.00 O ATOM 14 CB SER A 16 -13.679 1.531 -1.472 1.00 0.00 C ATOM 15 OG SER A 16 -13.418 0.365 -2.236 1.00 0.00 O ATOM 0 H SER A 16 -14.820 3.067 0.300 1.00 0.00 H new ATOM 0 HA SER A 16 -15.636 1.886 -2.280 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.231 2.396 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.207 1.439 -0.494 1.00 0.00 H new ATOM 0 HG SER A 16 -12.861 -0.250 -1.714 1.00 0.00 H new ATOM 21 N SER A 17 -15.576 0.420 0.676 1.00 0.00 N ATOM 22 CA SER A 17 -16.069 -0.714 1.439 1.00 0.00 C ATOM 23 C SER A 17 -16.188 -0.341 2.914 1.00 0.00 C ATOM 24 O SER A 17 -16.243 0.845 3.253 1.00 0.00 O ATOM 25 CB SER A 17 -15.121 -1.906 1.269 1.00 0.00 C ATOM 26 OG SER A 17 -15.017 -2.293 -0.093 1.00 0.00 O ATOM 0 H SER A 17 -15.023 1.081 1.221 1.00 0.00 H new ATOM 0 HA SER A 17 -17.056 -0.991 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.134 -1.646 1.652 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.481 -2.747 1.862 1.00 0.00 H new ATOM 0 HG SER A 17 -15.793 -2.838 -0.338 1.00 0.00 H new ATOM 32 N GLY A 18 -16.257 -1.349 3.778 1.00 0.00 N ATOM 33 CA GLY A 18 -16.273 -1.115 5.210 1.00 0.00 C ATOM 34 C GLY A 18 -15.040 -0.372 5.699 1.00 0.00 C ATOM 35 O GLY A 18 -14.095 -0.155 4.936 1.00 0.00 O ATOM 0 H GLY A 18 -16.302 -2.332 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -17.163 -0.543 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.345 -2.071 5.729 1.00 0.00 H new ATOM 39 N ASN A 19 -15.051 0.020 6.970 1.00 0.00 N ATOM 40 CA ASN A 19 -13.950 0.763 7.567 1.00 0.00 C ATOM 41 C ASN A 19 -12.624 0.030 7.413 1.00 0.00 C ATOM 42 O ASN A 19 -12.569 -1.201 7.402 1.00 0.00 O ATOM 43 CB ASN A 19 -14.217 0.994 9.053 1.00 0.00 C ATOM 44 CG ASN A 19 -15.336 1.981 9.313 1.00 0.00 C ATOM 45 OD1 ASN A 19 -16.228 2.176 8.487 1.00 0.00 O ATOM 46 ND2 ASN A 19 -15.298 2.597 10.476 1.00 0.00 N ATOM 0 H ASN A 19 -15.821 -0.169 7.611 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.882 1.716 7.043 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.465 0.042 9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.305 1.356 9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -16.027 3.266 10.723 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -14.540 2.405 11.130 1.00 0.00 H new ATOM 53 N PRO A 20 -11.532 0.803 7.333 1.00 0.00 N ATOM 54 CA PRO A 20 -10.184 0.262 7.177 1.00 0.00 C ATOM 55 C PRO A 20 -9.751 -0.491 8.424 1.00 0.00 C ATOM 56 O PRO A 20 -8.871 -1.346 8.380 1.00 0.00 O ATOM 57 CB PRO A 20 -9.293 1.495 6.973 1.00 0.00 C ATOM 58 CG PRO A 20 -10.211 2.666 6.849 1.00 0.00 C ATOM 59 CD PRO A 20 -11.536 2.266 7.422 1.00 0.00 C ATOM 0 HA PRO A 20 -10.124 -0.445 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.611 1.624 7.813 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.680 1.387 6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.808 3.527 7.382 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.318 2.959 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -11.643 2.603 8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.362 2.698 6.858 1.00 0.00 H new ATOM 67 N GLU A 21 -10.398 -0.152 9.532 1.00 0.00 N ATOM 68 CA GLU A 21 -10.129 -0.762 10.830 1.00 0.00 C ATOM 69 C GLU A 21 -10.496 -2.238 10.818 1.00 0.00 C ATOM 70 O GLU A 21 -9.885 -3.048 11.512 1.00 0.00 O ATOM 71 CB GLU A 21 -10.946 -0.055 11.908 1.00 0.00 C ATOM 72 CG GLU A 21 -10.969 1.452 11.749 1.00 0.00 C ATOM 73 CD GLU A 21 -11.920 2.121 12.716 1.00 0.00 C ATOM 74 OE1 GLU A 21 -11.514 2.404 13.863 1.00 0.00 O ATOM 75 OE2 GLU A 21 -13.084 2.366 12.334 1.00 0.00 O ATOM 0 H GLU A 21 -11.129 0.559 9.556 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.064 -0.663 11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.969 -0.432 11.885 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.536 -0.304 12.887 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.964 1.846 11.901 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.258 1.702 10.728 1.00 0.00 H new ATOM 82 N ASP A 22 -11.509 -2.570 10.030 1.00 0.00 N ATOM 83 CA ASP A 22 -12.002 -3.945 9.944 1.00 0.00 C ATOM 84 C ASP A 22 -11.042 -4.828 9.158 1.00 0.00 C ATOM 85 O ASP A 22 -11.090 -6.055 9.255 1.00 0.00 O ATOM 86 CB ASP A 22 -13.393 -3.988 9.311 1.00 0.00 C ATOM 87 CG ASP A 22 -14.462 -3.435 10.230 1.00 0.00 C ATOM 88 OD1 ASP A 22 -14.926 -4.177 11.122 1.00 0.00 O ATOM 89 OD2 ASP A 22 -14.843 -2.259 10.071 1.00 0.00 O ATOM 0 H ASP A 22 -12.009 -1.907 9.438 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.069 -4.332 10.961 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.385 -3.417 8.383 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.639 -5.017 9.050 1.00 0.00 H new ATOM 94 N PHE A 23 -10.173 -4.203 8.378 1.00 0.00 N ATOM 95 CA PHE A 23 -9.136 -4.926 7.664 1.00 0.00 C ATOM 96 C PHE A 23 -8.014 -5.280 8.625 1.00 0.00 C ATOM 97 O PHE A 23 -7.664 -4.494 9.506 1.00 0.00 O ATOM 98 CB PHE A 23 -8.580 -4.080 6.514 1.00 0.00 C ATOM 99 CG PHE A 23 -9.524 -3.917 5.357 1.00 0.00 C ATOM 100 CD1 PHE A 23 -10.546 -2.984 5.401 1.00 0.00 C ATOM 101 CD2 PHE A 23 -9.376 -4.690 4.217 1.00 0.00 C ATOM 102 CE1 PHE A 23 -11.407 -2.828 4.331 1.00 0.00 C ATOM 103 CE2 PHE A 23 -10.231 -4.538 3.144 1.00 0.00 C ATOM 104 CZ PHE A 23 -11.248 -3.605 3.201 1.00 0.00 C ATOM 0 H PHE A 23 -10.167 -3.195 8.224 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.567 -5.836 7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.319 -3.093 6.897 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.658 -4.537 6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.672 -2.371 6.281 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.582 -5.420 4.167 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.203 -2.099 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.105 -5.148 2.261 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.918 -3.484 2.363 1.00 0.00 H new ATOM 114 N LYS A 24 -7.448 -6.462 8.448 1.00 0.00 N ATOM 115 CA LYS A 24 -6.359 -6.919 9.295 1.00 0.00 C ATOM 116 C LYS A 24 -5.113 -6.109 8.985 1.00 0.00 C ATOM 117 O LYS A 24 -4.208 -5.972 9.811 1.00 0.00 O ATOM 118 CB LYS A 24 -6.078 -8.406 9.066 1.00 0.00 C ATOM 119 CG LYS A 24 -5.039 -8.963 10.023 1.00 0.00 C ATOM 120 CD LYS A 24 -5.605 -9.153 11.418 1.00 0.00 C ATOM 121 CE LYS A 24 -6.392 -10.447 11.519 1.00 0.00 C ATOM 122 NZ LYS A 24 -5.503 -11.632 11.636 1.00 0.00 N ATOM 0 H LYS A 24 -7.725 -7.124 7.723 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.643 -6.781 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.006 -8.968 9.177 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.737 -8.553 8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.672 -9.918 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.185 -8.287 10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.793 -9.160 12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.250 -8.311 11.669 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.053 -10.403 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.026 -10.555 10.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.077 -12.479 11.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.975 -11.759 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.835 -11.488 12.420 1.00 0.00 H new ATOM 136 N VAL A 25 -5.093 -5.556 7.782 1.00 0.00 N ATOM 137 CA VAL A 25 -3.971 -4.771 7.323 1.00 0.00 C ATOM 138 C VAL A 25 -3.880 -3.450 8.083 1.00 0.00 C ATOM 139 O VAL A 25 -2.842 -2.808 8.082 1.00 0.00 O ATOM 140 CB VAL A 25 -4.059 -4.497 5.802 1.00 0.00 C ATOM 141 CG1 VAL A 25 -4.730 -5.654 5.087 1.00 0.00 C ATOM 142 CG2 VAL A 25 -4.787 -3.196 5.504 1.00 0.00 C ATOM 0 H VAL A 25 -5.851 -5.641 7.105 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.069 -5.352 7.517 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.039 -4.398 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.782 -5.441 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.153 -6.565 5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.738 -5.789 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.827 -3.040 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.801 -3.247 5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.256 -2.367 5.971 1.00 0.00 H new ATOM 152 N PHE A 26 -4.965 -3.055 8.743 1.00 0.00 N ATOM 153 CA PHE A 26 -4.978 -1.811 9.505 1.00 0.00 C ATOM 154 C PHE A 26 -3.884 -1.832 10.568 1.00 0.00 C ATOM 155 O PHE A 26 -3.155 -0.863 10.750 1.00 0.00 O ATOM 156 CB PHE A 26 -6.342 -1.597 10.161 1.00 0.00 C ATOM 157 CG PHE A 26 -6.477 -0.271 10.855 1.00 0.00 C ATOM 158 CD1 PHE A 26 -6.679 0.888 10.123 1.00 0.00 C ATOM 159 CD2 PHE A 26 -6.398 -0.181 12.236 1.00 0.00 C ATOM 160 CE1 PHE A 26 -6.800 2.111 10.752 1.00 0.00 C ATOM 161 CE2 PHE A 26 -6.516 1.040 12.871 1.00 0.00 C ATOM 162 CZ PHE A 26 -6.718 2.186 12.128 1.00 0.00 C ATOM 0 H PHE A 26 -5.842 -3.575 8.766 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.789 -0.985 8.819 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -7.118 -1.680 9.400 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -6.517 -2.395 10.883 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.743 0.834 9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.243 -1.075 12.822 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.958 3.006 10.169 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.450 1.098 13.947 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.812 3.141 12.623 1.00 0.00 H new ATOM 172 N LYS A 27 -3.771 -2.958 11.252 1.00 0.00 N ATOM 173 CA LYS A 27 -2.761 -3.140 12.280 1.00 0.00 C ATOM 174 C LYS A 27 -1.398 -3.405 11.648 1.00 0.00 C ATOM 175 O LYS A 27 -0.389 -2.849 12.073 1.00 0.00 O ATOM 176 CB LYS A 27 -3.177 -4.296 13.184 1.00 0.00 C ATOM 177 CG LYS A 27 -2.928 -4.046 14.663 1.00 0.00 C ATOM 178 CD LYS A 27 -1.457 -4.135 15.029 1.00 0.00 C ATOM 179 CE LYS A 27 -0.837 -5.415 14.505 1.00 0.00 C ATOM 180 NZ LYS A 27 0.445 -5.737 15.184 1.00 0.00 N ATOM 0 H LYS A 27 -4.374 -3.768 11.111 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.677 -2.232 12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.238 -4.498 13.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.636 -5.193 12.882 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.306 -3.059 14.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.490 -4.772 15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.925 -3.276 14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.346 -4.091 16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.537 -6.239 14.644 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.665 -5.321 13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.084 -6.210 14.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.888 -4.860 15.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.262 -6.368 15.990 1.00 0.00 H new ATOM 194 N TYR A 28 -1.380 -4.232 10.613 1.00 0.00 N ATOM 195 CA TYR A 28 -0.133 -4.607 9.957 1.00 0.00 C ATOM 196 C TYR A 28 0.529 -3.428 9.249 1.00 0.00 C ATOM 197 O TYR A 28 1.736 -3.234 9.350 1.00 0.00 O ATOM 198 CB TYR A 28 -0.372 -5.732 8.960 1.00 0.00 C ATOM 199 CG TYR A 28 -0.347 -7.105 9.576 1.00 0.00 C ATOM 200 CD1 TYR A 28 0.849 -7.791 9.707 1.00 0.00 C ATOM 201 CD2 TYR A 28 -1.506 -7.713 10.029 1.00 0.00 C ATOM 202 CE1 TYR A 28 0.896 -9.047 10.269 1.00 0.00 C ATOM 203 CE2 TYR A 28 -1.474 -8.972 10.598 1.00 0.00 C ATOM 204 CZ TYR A 28 -0.270 -9.637 10.715 1.00 0.00 C ATOM 205 OH TYR A 28 -0.234 -10.891 11.286 1.00 0.00 O ATOM 0 H TYR A 28 -2.214 -4.657 10.208 1.00 0.00 H new ATOM 0 HA TYR A 28 0.544 -4.947 10.740 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.337 -5.578 8.477 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.387 -5.680 8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.763 -7.331 9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.449 -7.195 9.936 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.838 -9.567 10.360 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.385 -9.433 10.949 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.140 -11.158 11.546 1.00 0.00 H new ATOM 215 N MET A 29 -0.252 -2.641 8.531 1.00 0.00 N ATOM 216 CA MET A 29 0.299 -1.517 7.789 1.00 0.00 C ATOM 217 C MET A 29 0.594 -0.353 8.724 1.00 0.00 C ATOM 218 O MET A 29 1.400 0.521 8.408 1.00 0.00 O ATOM 219 CB MET A 29 -0.641 -1.086 6.661 1.00 0.00 C ATOM 220 CG MET A 29 -0.973 -2.214 5.696 1.00 0.00 C ATOM 221 SD MET A 29 -1.896 -1.658 4.253 1.00 0.00 S ATOM 222 CE MET A 29 -0.670 -0.627 3.458 1.00 0.00 C ATOM 0 H MET A 29 -1.262 -2.756 8.445 1.00 0.00 H new ATOM 0 HA MET A 29 1.236 -1.838 7.335 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.565 -0.702 7.093 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.183 -0.266 6.108 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.048 -2.688 5.368 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.552 -2.974 6.220 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.772 -0.709 2.376 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.817 0.410 3.759 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.327 -0.953 3.754 1.00 0.00 H new ATOM 232 N LYS A 30 -0.039 -0.352 9.889 1.00 0.00 N ATOM 233 CA LYS A 30 0.241 0.665 10.888 1.00 0.00 C ATOM 234 C LYS A 30 1.559 0.383 11.594 1.00 0.00 C ATOM 235 O LYS A 30 2.308 1.308 11.917 1.00 0.00 O ATOM 236 CB LYS A 30 -0.901 0.777 11.897 1.00 0.00 C ATOM 237 CG LYS A 30 -1.808 1.972 11.642 1.00 0.00 C ATOM 238 CD LYS A 30 -1.035 3.284 11.702 1.00 0.00 C ATOM 239 CE LYS A 30 -1.909 4.469 11.334 1.00 0.00 C ATOM 240 NZ LYS A 30 -1.136 5.738 11.308 1.00 0.00 N ATOM 0 H LYS A 30 -0.743 -1.038 10.162 1.00 0.00 H new ATOM 0 HA LYS A 30 0.328 1.622 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.496 -0.136 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.484 0.852 12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.279 1.870 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.609 1.986 12.381 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.635 3.425 12.706 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.183 3.236 11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.360 4.298 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.725 4.555 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.792 6.545 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.513 5.782 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.561 5.777 10.442 1.00 0.00 H new ATOM 254 N ILE A 31 1.853 -0.892 11.827 1.00 0.00 N ATOM 255 CA ILE A 31 3.147 -1.263 12.379 1.00 0.00 C ATOM 256 C ILE A 31 4.201 -1.203 11.282 1.00 0.00 C ATOM 257 O ILE A 31 5.381 -1.042 11.557 1.00 0.00 O ATOM 258 CB ILE A 31 3.149 -2.664 13.035 1.00 0.00 C ATOM 259 CG1 ILE A 31 3.024 -3.766 11.984 1.00 0.00 C ATOM 260 CG2 ILE A 31 2.030 -2.767 14.059 1.00 0.00 C ATOM 261 CD1 ILE A 31 2.930 -5.158 12.568 1.00 0.00 C ATOM 0 H ILE A 31 1.223 -1.673 11.645 1.00 0.00 H new ATOM 0 HA ILE A 31 3.376 -0.548 13.169 1.00 0.00 H new ATOM 0 HB ILE A 31 4.103 -2.800 13.545 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.139 -3.577 11.376 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.885 -3.719 11.317 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.043 -3.758 14.513 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.173 -2.012 14.832 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.071 -2.605 13.567 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.844 -5.886 11.761 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.826 -5.369 13.152 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.053 -5.224 13.212 1.00 0.00 H new ATOM 273 N LEU A 32 3.752 -1.333 10.033 1.00 0.00 N ATOM 274 CA LEU A 32 4.608 -1.123 8.869 1.00 0.00 C ATOM 275 C LEU A 32 5.159 0.296 8.919 1.00 0.00 C ATOM 276 O LEU A 32 6.370 0.506 8.828 1.00 0.00 O ATOM 277 CB LEU A 32 3.788 -1.355 7.586 1.00 0.00 C ATOM 278 CG LEU A 32 4.563 -1.438 6.262 1.00 0.00 C ATOM 279 CD1 LEU A 32 3.658 -1.985 5.170 1.00 0.00 C ATOM 280 CD2 LEU A 32 5.099 -0.076 5.841 1.00 0.00 C ATOM 0 H LEU A 32 2.791 -1.585 9.802 1.00 0.00 H new ATOM 0 HA LEU A 32 5.442 -1.825 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.226 -2.281 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.059 -0.549 7.501 1.00 0.00 H new ATOM 0 HG LEU A 32 5.411 -2.106 6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.212 -2.042 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.313 -2.981 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.800 -1.325 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.641 -0.173 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.268 0.617 5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.771 0.304 6.610 1.00 0.00 H new ATOM 292 N GLU A 33 4.243 1.250 9.082 1.00 0.00 N ATOM 293 CA GLU A 33 4.576 2.666 9.221 1.00 0.00 C ATOM 294 C GLU A 33 5.728 2.871 10.202 1.00 0.00 C ATOM 295 O GLU A 33 6.685 3.595 9.927 1.00 0.00 O ATOM 296 CB GLU A 33 3.350 3.414 9.732 1.00 0.00 C ATOM 297 CG GLU A 33 3.149 4.776 9.105 1.00 0.00 C ATOM 298 CD GLU A 33 2.109 5.601 9.834 1.00 0.00 C ATOM 299 OE1 GLU A 33 0.902 5.439 9.555 1.00 0.00 O ATOM 300 OE2 GLU A 33 2.494 6.422 10.691 1.00 0.00 O ATOM 0 H GLU A 33 3.242 1.060 9.122 1.00 0.00 H new ATOM 0 HA GLU A 33 4.883 3.046 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.464 2.807 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.435 3.533 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.097 5.314 9.100 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.847 4.653 8.065 1.00 0.00 H new ATOM 307 N GLU A 34 5.618 2.222 11.349 1.00 0.00 N ATOM 308 CA GLU A 34 6.617 2.328 12.398 1.00 0.00 C ATOM 309 C GLU A 34 7.876 1.533 12.056 1.00 0.00 C ATOM 310 O GLU A 34 8.977 2.078 12.034 1.00 0.00 O ATOM 311 CB GLU A 34 6.025 1.833 13.720 1.00 0.00 C ATOM 312 CG GLU A 34 7.058 1.608 14.812 1.00 0.00 C ATOM 313 CD GLU A 34 6.431 1.222 16.134 1.00 0.00 C ATOM 314 OE1 GLU A 34 5.972 2.126 16.867 1.00 0.00 O ATOM 315 OE2 GLU A 34 6.397 0.017 16.451 1.00 0.00 O ATOM 0 H GLU A 34 4.836 1.609 11.578 1.00 0.00 H new ATOM 0 HA GLU A 34 6.903 3.376 12.492 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.291 2.558 14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.491 0.900 13.541 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.748 0.825 14.499 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.646 2.516 14.944 1.00 0.00 H new ATOM 322 N ALA A 35 7.694 0.255 11.764 1.00 0.00 N ATOM 323 CA ALA A 35 8.797 -0.690 11.637 1.00 0.00 C ATOM 324 C ALA A 35 9.781 -0.309 10.533 1.00 0.00 C ATOM 325 O ALA A 35 10.979 -0.552 10.661 1.00 0.00 O ATOM 326 CB ALA A 35 8.250 -2.090 11.407 1.00 0.00 C ATOM 0 H ALA A 35 6.775 -0.159 11.608 1.00 0.00 H new ATOM 0 HA ALA A 35 9.357 -0.663 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.078 -2.793 11.313 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.623 -2.379 12.251 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.657 -2.103 10.493 1.00 0.00 H new ATOM 332 N MET A 36 9.285 0.285 9.456 1.00 0.00 N ATOM 333 CA MET A 36 10.146 0.681 8.349 1.00 0.00 C ATOM 334 C MET A 36 11.178 1.717 8.779 1.00 0.00 C ATOM 335 O MET A 36 12.334 1.659 8.357 1.00 0.00 O ATOM 336 CB MET A 36 9.304 1.205 7.195 1.00 0.00 C ATOM 337 CG MET A 36 8.442 0.130 6.572 1.00 0.00 C ATOM 338 SD MET A 36 9.419 -1.192 5.824 1.00 0.00 S ATOM 339 CE MET A 36 8.126 -2.302 5.270 1.00 0.00 C ATOM 0 H MET A 36 8.297 0.502 9.325 1.00 0.00 H new ATOM 0 HA MET A 36 10.694 -0.201 8.017 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.668 2.015 7.552 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.960 1.627 6.433 1.00 0.00 H new ATOM 0 HG2 MET A 36 7.787 -0.293 7.334 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.801 0.578 5.813 1.00 0.00 H new ATOM 0 HE1 MET A 36 8.560 -3.085 4.649 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.638 -2.753 6.134 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.392 -1.744 4.689 1.00 0.00 H new ATOM 349 N GLU A 37 10.770 2.655 9.623 1.00 0.00 N ATOM 350 CA GLU A 37 11.692 3.675 10.107 1.00 0.00 C ATOM 351 C GLU A 37 12.367 3.227 11.400 1.00 0.00 C ATOM 352 O GLU A 37 13.502 3.611 11.692 1.00 0.00 O ATOM 353 CB GLU A 37 10.965 5.002 10.320 1.00 0.00 C ATOM 354 CG GLU A 37 11.901 6.145 10.666 1.00 0.00 C ATOM 355 CD GLU A 37 11.181 7.469 10.780 1.00 0.00 C ATOM 356 OE1 GLU A 37 10.723 7.994 9.744 1.00 0.00 O ATOM 357 OE2 GLU A 37 11.061 7.991 11.907 1.00 0.00 O ATOM 0 H GLU A 37 9.819 2.732 9.983 1.00 0.00 H new ATOM 0 HA GLU A 37 12.462 3.820 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.411 5.255 9.416 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.234 4.884 11.120 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.404 5.926 11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.675 6.221 9.902 1.00 0.00 H new ATOM 364 N ASN A 38 11.660 2.407 12.165 1.00 0.00 N ATOM 365 CA ASN A 38 12.172 1.882 13.430 1.00 0.00 C ATOM 366 C ASN A 38 13.380 0.988 13.183 1.00 0.00 C ATOM 367 O ASN A 38 14.297 0.916 14.006 1.00 0.00 O ATOM 368 CB ASN A 38 11.078 1.092 14.158 1.00 0.00 C ATOM 369 CG ASN A 38 11.521 0.587 15.518 1.00 0.00 C ATOM 370 OD1 ASN A 38 12.319 1.223 16.201 1.00 0.00 O ATOM 371 ND2 ASN A 38 11.012 -0.568 15.915 1.00 0.00 N ATOM 0 H ASN A 38 10.720 2.086 11.931 1.00 0.00 H new ATOM 0 HA ASN A 38 12.478 2.722 14.054 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.199 1.725 14.280 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.777 0.245 13.542 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.280 -0.960 16.818 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.352 -1.066 15.318 1.00 0.00 H new ATOM 378 N ASP A 39 13.370 0.314 12.037 1.00 0.00 N ATOM 379 CA ASP A 39 14.477 -0.532 11.628 1.00 0.00 C ATOM 380 C ASP A 39 15.763 0.277 11.581 1.00 0.00 C ATOM 381 O ASP A 39 15.782 1.420 11.115 1.00 0.00 O ATOM 382 CB ASP A 39 14.195 -1.148 10.257 1.00 0.00 C ATOM 383 CG ASP A 39 15.221 -2.191 9.869 1.00 0.00 C ATOM 384 OD1 ASP A 39 16.279 -1.820 9.320 1.00 0.00 O ATOM 385 OD2 ASP A 39 14.973 -3.392 10.112 1.00 0.00 O ATOM 0 H ASP A 39 12.597 0.341 11.372 1.00 0.00 H new ATOM 0 HA ASP A 39 14.591 -1.335 12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.204 -1.602 10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.180 -0.360 9.504 1.00 0.00 H new ATOM 390 N THR A 40 16.828 -0.337 12.067 1.00 0.00 N ATOM 391 CA THR A 40 18.115 0.323 12.247 1.00 0.00 C ATOM 392 C THR A 40 18.678 0.900 10.950 1.00 0.00 C ATOM 393 O THR A 40 19.472 1.837 10.983 1.00 0.00 O ATOM 394 CB THR A 40 19.135 -0.656 12.855 1.00 0.00 C ATOM 395 OG1 THR A 40 19.000 -1.944 12.233 1.00 0.00 O ATOM 396 CG2 THR A 40 18.932 -0.790 14.356 1.00 0.00 C ATOM 0 H THR A 40 16.826 -1.317 12.351 1.00 0.00 H new ATOM 0 HA THR A 40 17.941 1.158 12.925 1.00 0.00 H new ATOM 0 HB THR A 40 20.136 -0.264 12.676 1.00 0.00 H new ATOM 0 HG1 THR A 40 19.652 -2.565 12.621 1.00 0.00 H new ATOM 0 HG21 THR A 40 19.665 -1.487 14.761 1.00 0.00 H new ATOM 0 HG22 THR A 40 19.058 0.184 14.829 1.00 0.00 H new ATOM 0 HG23 THR A 40 17.927 -1.163 14.555 1.00 0.00 H new ATOM 404 N GLU A 41 18.267 0.346 9.817 1.00 0.00 N ATOM 405 CA GLU A 41 18.764 0.805 8.530 1.00 0.00 C ATOM 406 C GLU A 41 17.856 1.851 7.896 1.00 0.00 C ATOM 407 O GLU A 41 18.345 2.705 7.157 1.00 0.00 O ATOM 408 CB GLU A 41 18.944 -0.361 7.586 1.00 0.00 C ATOM 409 CG GLU A 41 20.243 -1.095 7.824 1.00 0.00 C ATOM 410 CD GLU A 41 21.448 -0.181 7.755 1.00 0.00 C ATOM 411 OE1 GLU A 41 21.937 0.088 6.638 1.00 0.00 O ATOM 412 OE2 GLU A 41 21.921 0.268 8.818 1.00 0.00 O ATOM 0 H GLU A 41 17.594 -0.418 9.764 1.00 0.00 H new ATOM 0 HA GLU A 41 19.729 1.277 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 41 18.111 -1.054 7.704 1.00 0.00 H new ATOM 0 HB3 GLU A 41 18.916 -0.001 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.211 -1.575 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.350 -1.887 7.083 1.00 0.00 H new ATOM 419 N ASN A 42 16.551 1.793 8.211 1.00 0.00 N ATOM 420 CA ASN A 42 15.542 2.682 7.617 1.00 0.00 C ATOM 421 C ASN A 42 15.858 2.974 6.151 1.00 0.00 C ATOM 422 O ASN A 42 16.106 4.116 5.755 1.00 0.00 O ATOM 423 CB ASN A 42 15.360 3.982 8.434 1.00 0.00 C ATOM 424 CG ASN A 42 16.658 4.708 8.751 1.00 0.00 C ATOM 425 OD1 ASN A 42 17.085 5.600 8.017 1.00 0.00 O ATOM 426 ND2 ASN A 42 17.289 4.337 9.856 1.00 0.00 N ATOM 0 H ASN A 42 16.168 1.129 8.884 1.00 0.00 H new ATOM 0 HA ASN A 42 14.588 2.156 7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 42 14.706 4.656 7.881 1.00 0.00 H new ATOM 0 HB3 ASN A 42 14.854 3.742 9.369 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.160 4.795 10.124 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.903 3.594 10.438 1.00 0.00 H new ATOM 433 N LEU A 43 15.836 1.913 5.348 1.00 0.00 N ATOM 434 CA LEU A 43 16.214 1.982 3.937 1.00 0.00 C ATOM 435 C LEU A 43 15.197 2.763 3.115 1.00 0.00 C ATOM 436 O LEU A 43 15.341 2.880 1.898 1.00 0.00 O ATOM 437 CB LEU A 43 16.364 0.572 3.358 1.00 0.00 C ATOM 438 CG LEU A 43 17.420 -0.310 4.028 1.00 0.00 C ATOM 439 CD1 LEU A 43 17.422 -1.696 3.404 1.00 0.00 C ATOM 440 CD2 LEU A 43 18.800 0.320 3.919 1.00 0.00 C ATOM 0 H LEU A 43 15.556 0.982 5.656 1.00 0.00 H new ATOM 0 HA LEU A 43 17.168 2.506 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 15.400 0.067 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 16.607 0.658 2.299 1.00 0.00 H new ATOM 0 HG LEU A 43 17.169 -0.400 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.178 -2.313 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.442 -2.155 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 17.648 -1.616 2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 43 19.534 -0.325 4.402 1.00 0.00 H new ATOM 0 HD22 LEU A 43 19.062 0.443 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.795 1.294 4.408 1.00 0.00 H new ATOM 452 N ILE A 44 14.179 3.301 3.779 1.00 0.00 N ATOM 453 CA ILE A 44 13.107 4.019 3.100 1.00 0.00 C ATOM 454 C ILE A 44 13.657 5.181 2.268 1.00 0.00 C ATOM 455 O ILE A 44 13.106 5.517 1.226 1.00 0.00 O ATOM 456 CB ILE A 44 12.054 4.563 4.098 1.00 0.00 C ATOM 457 CG1 ILE A 44 10.733 4.805 3.379 1.00 0.00 C ATOM 458 CG2 ILE A 44 12.527 5.854 4.756 1.00 0.00 C ATOM 459 CD1 ILE A 44 9.797 3.617 3.393 1.00 0.00 C ATOM 0 H ILE A 44 14.074 3.253 4.792 1.00 0.00 H new ATOM 0 HA ILE A 44 12.623 3.299 2.440 1.00 0.00 H new ATOM 0 HB ILE A 44 11.914 3.816 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 44 10.231 5.655 3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.939 5.079 2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.765 6.209 5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.454 5.667 5.299 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.701 6.610 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.880 3.870 2.861 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.278 2.769 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 44 9.558 3.354 4.423 1.00 0.00 H new ATOM 471 N GLU A 45 14.759 5.775 2.725 1.00 0.00 N ATOM 472 CA GLU A 45 15.343 6.924 2.046 1.00 0.00 C ATOM 473 C GLU A 45 16.105 6.496 0.795 1.00 0.00 C ATOM 474 O GLU A 45 16.352 7.302 -0.101 1.00 0.00 O ATOM 475 CB GLU A 45 16.262 7.700 2.986 1.00 0.00 C ATOM 476 CG GLU A 45 17.344 6.846 3.606 1.00 0.00 C ATOM 477 CD GLU A 45 18.379 7.671 4.336 1.00 0.00 C ATOM 478 OE1 GLU A 45 19.364 8.089 3.695 1.00 0.00 O ATOM 479 OE2 GLU A 45 18.216 7.906 5.551 1.00 0.00 O ATOM 0 H GLU A 45 15.262 5.478 3.561 1.00 0.00 H new ATOM 0 HA GLU A 45 14.526 7.578 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.726 8.518 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.664 8.148 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.892 6.138 4.300 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.833 6.261 2.827 1.00 0.00 H new ATOM 486 N LYS A 46 16.469 5.225 0.736 1.00 0.00 N ATOM 487 CA LYS A 46 17.153 4.682 -0.428 1.00 0.00 C ATOM 488 C LYS A 46 16.138 4.253 -1.480 1.00 0.00 C ATOM 489 O LYS A 46 16.368 4.387 -2.680 1.00 0.00 O ATOM 490 CB LYS A 46 18.031 3.496 -0.024 1.00 0.00 C ATOM 491 CG LYS A 46 19.303 3.905 0.700 1.00 0.00 C ATOM 492 CD LYS A 46 20.038 2.702 1.256 1.00 0.00 C ATOM 493 CE LYS A 46 21.356 3.097 1.900 1.00 0.00 C ATOM 494 NZ LYS A 46 21.182 4.053 3.029 1.00 0.00 N ATOM 0 H LYS A 46 16.302 4.549 1.481 1.00 0.00 H new ATOM 0 HA LYS A 46 17.791 5.458 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.455 2.829 0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.296 2.929 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.955 4.446 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.057 4.589 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.410 2.200 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.224 1.987 0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.861 2.202 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 46 22.004 3.545 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.087 4.171 3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.868 4.973 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.469 3.684 3.690 1.00 0.00 H new ATOM 508 N VAL A 47 15.005 3.754 -1.010 1.00 0.00 N ATOM 509 CA VAL A 47 13.954 3.250 -1.881 1.00 0.00 C ATOM 510 C VAL A 47 12.753 4.204 -1.880 1.00 0.00 C ATOM 511 O VAL A 47 11.599 3.794 -1.972 1.00 0.00 O ATOM 512 CB VAL A 47 13.538 1.815 -1.464 1.00 0.00 C ATOM 513 CG1 VAL A 47 12.954 1.794 -0.059 1.00 0.00 C ATOM 514 CG2 VAL A 47 12.576 1.196 -2.470 1.00 0.00 C ATOM 0 H VAL A 47 14.788 3.687 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 47 14.340 3.199 -2.899 1.00 0.00 H new ATOM 0 HB VAL A 47 14.441 1.205 -1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.673 0.774 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 47 13.698 2.159 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.073 2.434 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.307 0.191 -2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 47 11.677 1.809 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.055 1.145 -3.448 1.00 0.00 H new ATOM 524 N ARG A 48 13.036 5.494 -1.739 1.00 0.00 N ATOM 525 CA ARG A 48 11.982 6.501 -1.722 1.00 0.00 C ATOM 526 C ARG A 48 11.075 6.371 -2.933 1.00 0.00 C ATOM 527 O ARG A 48 11.525 6.397 -4.082 1.00 0.00 O ATOM 528 CB ARG A 48 12.556 7.910 -1.645 1.00 0.00 C ATOM 529 CG ARG A 48 13.146 8.232 -0.289 1.00 0.00 C ATOM 530 CD ARG A 48 13.536 9.698 -0.189 1.00 0.00 C ATOM 531 NE ARG A 48 14.486 10.083 -1.234 1.00 0.00 N ATOM 532 CZ ARG A 48 14.563 11.305 -1.762 1.00 0.00 C ATOM 533 NH1 ARG A 48 13.792 12.284 -1.303 1.00 0.00 N ATOM 534 NH2 ARG A 48 15.432 11.554 -2.733 1.00 0.00 N ATOM 0 H ARG A 48 13.980 5.865 -1.635 1.00 0.00 H new ATOM 0 HA ARG A 48 11.388 6.325 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 48 13.326 8.025 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.770 8.630 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 48 12.423 7.992 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.022 7.608 -0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 48 12.642 10.317 -0.265 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.975 9.891 0.790 1.00 0.00 H new ATOM 0 HE ARG A 48 15.130 9.372 -1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 48 13.137 12.103 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 48 13.855 13.217 -1.711 1.00 0.00 H new ATOM 0 HH21 ARG A 48 16.041 10.811 -3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 48 15.491 12.489 -3.137 1.00 0.00 H new ATOM 548 N GLY A 49 9.800 6.230 -2.647 1.00 0.00 N ATOM 549 CA GLY A 49 8.808 5.998 -3.672 1.00 0.00 C ATOM 550 C GLY A 49 7.433 5.869 -3.063 1.00 0.00 C ATOM 551 O GLY A 49 7.270 6.073 -1.866 1.00 0.00 O ATOM 0 H GLY A 49 9.423 6.273 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.819 6.820 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.053 5.091 -4.224 1.00 0.00 H new ATOM 555 N ILE A 50 6.436 5.552 -3.859 1.00 0.00 N ATOM 556 CA ILE A 50 5.094 5.398 -3.328 1.00 0.00 C ATOM 557 C ILE A 50 4.525 4.026 -3.649 1.00 0.00 C ATOM 558 O ILE A 50 4.483 3.605 -4.808 1.00 0.00 O ATOM 559 CB ILE A 50 4.159 6.502 -3.851 1.00 0.00 C ATOM 560 CG1 ILE A 50 4.695 7.864 -3.408 1.00 0.00 C ATOM 561 CG2 ILE A 50 2.738 6.288 -3.350 1.00 0.00 C ATOM 562 CD1 ILE A 50 3.858 9.031 -3.862 1.00 0.00 C ATOM 0 H ILE A 50 6.523 5.397 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 50 5.162 5.492 -2.244 1.00 0.00 H new ATOM 0 HB ILE A 50 4.131 6.465 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.762 7.880 -2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.708 7.986 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.094 7.080 -3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.371 5.323 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.730 6.308 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.305 9.959 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.811 9.044 -4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.851 8.936 -3.457 1.00 0.00 H new ATOM 574 N TYR A 51 4.091 3.338 -2.608 1.00 0.00 N ATOM 575 CA TYR A 51 3.547 2.000 -2.743 1.00 0.00 C ATOM 576 C TYR A 51 2.037 2.039 -2.574 1.00 0.00 C ATOM 577 O TYR A 51 1.533 2.393 -1.508 1.00 0.00 O ATOM 578 CB TYR A 51 4.157 1.068 -1.694 1.00 0.00 C ATOM 579 CG TYR A 51 5.659 1.190 -1.565 1.00 0.00 C ATOM 580 CD1 TYR A 51 6.508 0.512 -2.426 1.00 0.00 C ATOM 581 CD2 TYR A 51 6.227 1.985 -0.577 1.00 0.00 C ATOM 582 CE1 TYR A 51 7.877 0.622 -2.309 1.00 0.00 C ATOM 583 CE2 TYR A 51 7.594 2.100 -0.454 1.00 0.00 C ATOM 584 CZ TYR A 51 8.414 1.417 -1.320 1.00 0.00 C ATOM 585 OH TYR A 51 9.774 1.525 -1.198 1.00 0.00 O ATOM 0 H TYR A 51 4.106 3.689 -1.651 1.00 0.00 H new ATOM 0 HA TYR A 51 3.792 1.622 -3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.701 1.278 -0.727 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.906 0.038 -1.948 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.090 -0.113 -3.201 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.586 2.522 0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.525 0.088 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.019 2.723 0.319 1.00 0.00 H new ATOM 0 HH TYR A 51 10.053 2.432 -1.441 1.00 0.00 H new ATOM 595 N GLY A 52 1.320 1.693 -3.624 1.00 0.00 N ATOM 596 CA GLY A 52 -0.123 1.656 -3.548 1.00 0.00 C ATOM 597 C GLY A 52 -0.623 0.260 -3.266 1.00 0.00 C ATOM 598 O GLY A 52 -0.427 -0.649 -4.070 1.00 0.00 O ATOM 0 H GLY A 52 1.710 1.436 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.465 2.332 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.548 2.014 -4.486 1.00 0.00 H new ATOM 602 N PHE A 53 -1.247 0.080 -2.121 1.00 0.00 N ATOM 603 CA PHE A 53 -1.734 -1.230 -1.722 1.00 0.00 C ATOM 604 C PHE A 53 -3.229 -1.364 -1.962 1.00 0.00 C ATOM 605 O PHE A 53 -4.040 -0.735 -1.282 1.00 0.00 O ATOM 606 CB PHE A 53 -1.417 -1.498 -0.250 1.00 0.00 C ATOM 607 CG PHE A 53 -0.133 -2.249 -0.032 1.00 0.00 C ATOM 608 CD1 PHE A 53 1.081 -1.717 -0.439 1.00 0.00 C ATOM 609 CD2 PHE A 53 -0.143 -3.489 0.588 1.00 0.00 C ATOM 610 CE1 PHE A 53 2.259 -2.409 -0.232 1.00 0.00 C ATOM 611 CE2 PHE A 53 1.031 -4.185 0.796 1.00 0.00 C ATOM 612 CZ PHE A 53 2.235 -3.644 0.386 1.00 0.00 C ATOM 0 H PHE A 53 -1.431 0.823 -1.447 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.222 -1.970 -2.337 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.365 -0.547 0.280 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.237 -2.064 0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.106 -0.752 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.081 -3.916 0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.198 -1.984 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.009 -5.151 1.278 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.155 -4.186 0.549 1.00 0.00 H new ATOM 622 N LYS A 54 -3.579 -2.178 -2.943 1.00 0.00 N ATOM 623 CA LYS A 54 -4.966 -2.525 -3.196 1.00 0.00 C ATOM 624 C LYS A 54 -5.288 -3.828 -2.477 1.00 0.00 C ATOM 625 O LYS A 54 -4.960 -4.914 -2.960 1.00 0.00 O ATOM 626 CB LYS A 54 -5.219 -2.672 -4.700 1.00 0.00 C ATOM 627 CG LYS A 54 -5.217 -1.361 -5.466 1.00 0.00 C ATOM 628 CD LYS A 54 -5.404 -1.602 -6.957 1.00 0.00 C ATOM 629 CE LYS A 54 -5.430 -0.301 -7.744 1.00 0.00 C ATOM 630 NZ LYS A 54 -6.638 0.513 -7.451 1.00 0.00 N ATOM 0 H LYS A 54 -2.915 -2.614 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.611 -1.730 -2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.457 -3.327 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.180 -3.164 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.015 -0.717 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.277 -0.836 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.596 -2.234 -7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.334 -2.145 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.538 0.280 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.395 -0.524 -8.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.671 1.329 -8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.490 -0.069 -7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.600 0.849 -6.468 1.00 0.00 H new ATOM 644 N VAL A 55 -5.916 -3.717 -1.319 1.00 0.00 N ATOM 645 CA VAL A 55 -6.174 -4.877 -0.483 1.00 0.00 C ATOM 646 C VAL A 55 -7.615 -5.337 -0.637 1.00 0.00 C ATOM 647 O VAL A 55 -8.543 -4.694 -0.148 1.00 0.00 O ATOM 648 CB VAL A 55 -5.895 -4.582 1.002 1.00 0.00 C ATOM 649 CG1 VAL A 55 -5.951 -5.860 1.821 1.00 0.00 C ATOM 650 CG2 VAL A 55 -4.550 -3.892 1.175 1.00 0.00 C ATOM 0 H VAL A 55 -6.257 -2.835 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.498 -5.666 -0.813 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.670 -3.907 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.751 -5.630 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.941 -6.307 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.201 -6.561 1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.376 -3.694 2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.759 -4.536 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.551 -2.951 0.625 1.00 0.00 H new ATOM 660 N ARG A 56 -7.793 -6.453 -1.314 1.00 0.00 N ATOM 661 CA ARG A 56 -9.120 -6.972 -1.593 1.00 0.00 C ATOM 662 C ARG A 56 -9.432 -8.139 -0.663 1.00 0.00 C ATOM 663 O ARG A 56 -8.568 -8.571 0.101 1.00 0.00 O ATOM 664 CB ARG A 56 -9.205 -7.418 -3.053 1.00 0.00 C ATOM 665 CG ARG A 56 -8.660 -6.386 -4.031 1.00 0.00 C ATOM 666 CD ARG A 56 -8.831 -6.834 -5.472 1.00 0.00 C ATOM 667 NE ARG A 56 -10.238 -6.884 -5.859 1.00 0.00 N ATOM 668 CZ ARG A 56 -10.850 -7.982 -6.302 1.00 0.00 C ATOM 669 NH1 ARG A 56 -10.177 -9.121 -6.435 1.00 0.00 N ATOM 670 NH2 ARG A 56 -12.136 -7.938 -6.622 1.00 0.00 N ATOM 0 H ARG A 56 -7.032 -7.022 -1.684 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.855 -6.185 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.653 -8.350 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.245 -7.630 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.173 -5.436 -3.882 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -7.603 -6.213 -3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.296 -6.150 -6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.383 -7.819 -5.603 1.00 0.00 H new ATOM 0 HE ARG A 56 -10.786 -6.027 -5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.186 -9.158 -6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.652 -9.957 -6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.655 -7.065 -6.529 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.606 -8.777 -6.961 1.00 0.00 H new ATOM 684 N ASN A 57 -10.666 -8.638 -0.731 1.00 0.00 N ATOM 685 CA ASN A 57 -11.093 -9.786 0.073 1.00 0.00 C ATOM 686 C ASN A 57 -10.998 -9.482 1.564 1.00 0.00 C ATOM 687 O ASN A 57 -10.432 -10.260 2.339 1.00 0.00 O ATOM 688 CB ASN A 57 -10.262 -11.026 -0.269 1.00 0.00 C ATOM 689 CG ASN A 57 -10.548 -11.557 -1.663 1.00 0.00 C ATOM 690 OD1 ASN A 57 -11.672 -11.465 -2.155 1.00 0.00 O ATOM 691 ND2 ASN A 57 -9.533 -12.094 -2.322 1.00 0.00 N ATOM 0 H ASN A 57 -11.394 -8.263 -1.339 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.137 -9.988 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.203 -10.782 -0.188 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.466 -11.808 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.670 -12.448 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.614 -12.154 -1.883 1.00 0.00 H new ATOM 698 N GLY A 58 -11.535 -8.334 1.956 1.00 0.00 N ATOM 699 CA GLY A 58 -11.591 -7.983 3.362 1.00 0.00 C ATOM 700 C GLY A 58 -12.682 -8.742 4.102 1.00 0.00 C ATOM 701 O GLY A 58 -12.946 -9.901 3.787 1.00 0.00 O ATOM 0 H GLY A 58 -11.933 -7.639 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.627 -8.193 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.766 -6.912 3.460 1.00 0.00 H new ATOM 705 N PRO A 59 -13.329 -8.105 5.098 1.00 0.00 N ATOM 706 CA PRO A 59 -14.415 -8.712 5.885 1.00 0.00 C ATOM 707 C PRO A 59 -15.386 -9.544 5.049 1.00 0.00 C ATOM 708 O PRO A 59 -15.537 -10.746 5.269 1.00 0.00 O ATOM 709 CB PRO A 59 -15.126 -7.497 6.454 1.00 0.00 C ATOM 710 CG PRO A 59 -14.053 -6.480 6.639 1.00 0.00 C ATOM 711 CD PRO A 59 -13.027 -6.736 5.565 1.00 0.00 C ATOM 0 HA PRO A 59 -14.031 -9.413 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -15.899 -7.137 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.616 -7.732 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.457 -5.471 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.606 -6.564 7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.108 -6.011 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.013 -6.663 5.957 1.00 0.00 H new ATOM 719 N ASN A 60 -16.045 -8.906 4.091 1.00 0.00 N ATOM 720 CA ASN A 60 -16.958 -9.611 3.203 1.00 0.00 C ATOM 721 C ASN A 60 -16.946 -8.982 1.819 1.00 0.00 C ATOM 722 O ASN A 60 -17.843 -8.221 1.454 1.00 0.00 O ATOM 723 CB ASN A 60 -18.378 -9.609 3.770 1.00 0.00 C ATOM 724 CG ASN A 60 -19.333 -10.438 2.931 1.00 0.00 C ATOM 725 OD1 ASN A 60 -18.932 -11.409 2.285 1.00 0.00 O ATOM 726 ND2 ASN A 60 -20.603 -10.069 2.939 1.00 0.00 N ATOM 0 H ASN A 60 -15.965 -7.905 3.910 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.621 -10.644 3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -18.361 -9.998 4.788 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.743 -8.584 3.826 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -21.290 -10.594 2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.895 -9.260 3.486 1.00 0.00 H new ATOM 733 N GLY A 61 -15.907 -9.288 1.064 1.00 0.00 N ATOM 734 CA GLY A 61 -15.791 -8.774 -0.286 1.00 0.00 C ATOM 735 C GLY A 61 -15.363 -7.324 -0.302 1.00 0.00 C ATOM 736 O GLY A 61 -15.459 -6.645 -1.325 1.00 0.00 O ATOM 0 H GLY A 61 -15.136 -9.886 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.068 -9.372 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -16.749 -8.876 -0.797 1.00 0.00 H new ATOM 740 N ALA A 62 -14.905 -6.848 0.845 1.00 0.00 N ATOM 741 CA ALA A 62 -14.439 -5.478 0.976 1.00 0.00 C ATOM 742 C ALA A 62 -13.100 -5.294 0.281 1.00 0.00 C ATOM 743 O ALA A 62 -12.255 -6.192 0.283 1.00 0.00 O ATOM 744 CB ALA A 62 -14.335 -5.094 2.444 1.00 0.00 C ATOM 0 H ALA A 62 -14.846 -7.395 1.704 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.164 -4.822 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.985 -4.065 2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.315 -5.183 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.631 -5.758 2.945 1.00 0.00 H new ATOM 750 N GLU A 63 -12.924 -4.131 -0.315 1.00 0.00 N ATOM 751 CA GLU A 63 -11.712 -3.796 -1.015 1.00 0.00 C ATOM 752 C GLU A 63 -11.192 -2.445 -0.545 1.00 0.00 C ATOM 753 O GLU A 63 -11.827 -1.405 -0.750 1.00 0.00 O ATOM 754 CB GLU A 63 -11.979 -3.784 -2.513 1.00 0.00 C ATOM 755 CG GLU A 63 -10.863 -3.164 -3.321 1.00 0.00 C ATOM 756 CD GLU A 63 -11.167 -3.124 -4.803 1.00 0.00 C ATOM 757 OE1 GLU A 63 -11.103 -4.186 -5.461 1.00 0.00 O ATOM 758 OE2 GLU A 63 -11.473 -2.029 -5.324 1.00 0.00 O ATOM 0 H GLU A 63 -13.626 -3.391 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.949 -4.544 -0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.138 -4.807 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.902 -3.237 -2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.682 -2.150 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.945 -3.728 -3.158 1.00 0.00 H new ATOM 765 N GLY A 64 -10.038 -2.473 0.089 1.00 0.00 N ATOM 766 CA GLY A 64 -9.448 -1.270 0.625 1.00 0.00 C ATOM 767 C GLY A 64 -8.244 -0.835 -0.177 1.00 0.00 C ATOM 768 O GLY A 64 -7.749 -1.587 -1.018 1.00 0.00 O ATOM 0 H GLY A 64 -9.491 -3.320 0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.190 -0.472 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.154 -1.439 1.661 1.00 0.00 H new ATOM 772 N TYR A 65 -7.766 0.368 0.084 1.00 0.00 N ATOM 773 CA TYR A 65 -6.650 0.914 -0.665 1.00 0.00 C ATOM 774 C TYR A 65 -5.837 1.872 0.198 1.00 0.00 C ATOM 775 O TYR A 65 -6.357 2.875 0.686 1.00 0.00 O ATOM 776 CB TYR A 65 -7.174 1.624 -1.915 1.00 0.00 C ATOM 777 CG TYR A 65 -6.100 2.270 -2.753 1.00 0.00 C ATOM 778 CD1 TYR A 65 -5.058 1.521 -3.282 1.00 0.00 C ATOM 779 CD2 TYR A 65 -6.131 3.631 -3.016 1.00 0.00 C ATOM 780 CE1 TYR A 65 -4.078 2.112 -4.051 1.00 0.00 C ATOM 781 CE2 TYR A 65 -5.156 4.228 -3.783 1.00 0.00 C ATOM 782 CZ TYR A 65 -4.131 3.467 -4.300 1.00 0.00 C ATOM 783 OH TYR A 65 -3.160 4.066 -5.070 1.00 0.00 O ATOM 0 H TYR A 65 -8.133 0.985 0.809 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.992 0.099 -0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.715 0.904 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.891 2.387 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -5.014 0.459 -3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.933 4.232 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.273 1.517 -4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.195 5.289 -3.979 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.349 5.025 -5.147 1.00 0.00 H new ATOM 793 N TRP A 66 -4.563 1.560 0.380 1.00 0.00 N ATOM 794 CA TRP A 66 -3.678 2.390 1.187 1.00 0.00 C ATOM 795 C TRP A 66 -2.476 2.818 0.363 1.00 0.00 C ATOM 796 O TRP A 66 -2.050 2.112 -0.548 1.00 0.00 O ATOM 797 CB TRP A 66 -3.188 1.662 2.450 1.00 0.00 C ATOM 798 CG TRP A 66 -4.243 1.412 3.488 1.00 0.00 C ATOM 799 CD1 TRP A 66 -4.422 2.104 4.652 1.00 0.00 C ATOM 800 CD2 TRP A 66 -5.246 0.388 3.475 1.00 0.00 C ATOM 801 NE1 TRP A 66 -5.476 1.579 5.357 1.00 0.00 N ATOM 802 CE2 TRP A 66 -5.999 0.526 4.656 1.00 0.00 C ATOM 803 CE3 TRP A 66 -5.583 -0.627 2.579 1.00 0.00 C ATOM 804 CZ2 TRP A 66 -7.064 -0.315 4.963 1.00 0.00 C ATOM 805 CZ3 TRP A 66 -6.642 -1.458 2.884 1.00 0.00 C ATOM 806 CH2 TRP A 66 -7.371 -1.299 4.066 1.00 0.00 C ATOM 0 H TRP A 66 -4.116 0.735 -0.021 1.00 0.00 H new ATOM 0 HA TRP A 66 -4.253 3.261 1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -2.756 0.706 2.155 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -2.387 2.248 2.901 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.821 2.943 4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -5.815 1.918 6.257 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -5.025 -0.760 1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -7.627 -0.195 5.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -6.912 -2.246 2.197 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -8.193 -1.967 4.274 1.00 0.00 H new ATOM 817 N VAL A 67 -1.947 3.980 0.680 1.00 0.00 N ATOM 818 CA VAL A 67 -0.788 4.512 -0.006 1.00 0.00 C ATOM 819 C VAL A 67 0.376 4.689 0.963 1.00 0.00 C ATOM 820 O VAL A 67 0.270 5.439 1.933 1.00 0.00 O ATOM 821 CB VAL A 67 -1.123 5.866 -0.669 1.00 0.00 C ATOM 822 CG1 VAL A 67 0.137 6.597 -1.088 1.00 0.00 C ATOM 823 CG2 VAL A 67 -2.040 5.665 -1.866 1.00 0.00 C ATOM 0 H VAL A 67 -2.307 4.583 1.420 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.499 3.800 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.641 6.479 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.130 7.547 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.758 6.783 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.691 5.988 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.264 6.631 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.547 5.026 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.967 5.194 -1.539 1.00 0.00 H new ATOM 833 N ILE A 68 1.467 3.980 0.713 1.00 0.00 N ATOM 834 CA ILE A 68 2.675 4.137 1.507 1.00 0.00 C ATOM 835 C ILE A 68 3.579 5.167 0.848 1.00 0.00 C ATOM 836 O ILE A 68 4.204 4.900 -0.183 1.00 0.00 O ATOM 837 CB ILE A 68 3.461 2.814 1.697 1.00 0.00 C ATOM 838 CG1 ILE A 68 2.604 1.747 2.388 1.00 0.00 C ATOM 839 CG2 ILE A 68 4.729 3.061 2.504 1.00 0.00 C ATOM 840 CD1 ILE A 68 1.623 1.052 1.471 1.00 0.00 C ATOM 0 H ILE A 68 1.540 3.290 -0.034 1.00 0.00 H new ATOM 0 HA ILE A 68 2.362 4.465 2.498 1.00 0.00 H new ATOM 0 HB ILE A 68 3.730 2.445 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.262 1.000 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.053 2.212 3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.269 2.123 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.361 3.777 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.465 3.461 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.056 0.313 2.037 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.939 1.787 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.166 0.555 0.667 1.00 0.00 H new ATOM 852 N ASN A 69 3.628 6.347 1.434 1.00 0.00 N ATOM 853 CA ASN A 69 4.388 7.449 0.875 1.00 0.00 C ATOM 854 C ASN A 69 5.805 7.456 1.431 1.00 0.00 C ATOM 855 O ASN A 69 6.058 7.968 2.523 1.00 0.00 O ATOM 856 CB ASN A 69 3.689 8.772 1.199 1.00 0.00 C ATOM 857 CG ASN A 69 4.305 9.975 0.505 1.00 0.00 C ATOM 858 OD1 ASN A 69 5.503 10.015 0.214 1.00 0.00 O ATOM 859 ND2 ASN A 69 3.480 10.972 0.238 1.00 0.00 N ATOM 0 H ASN A 69 3.146 6.569 2.305 1.00 0.00 H new ATOM 0 HA ASN A 69 4.444 7.326 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.640 8.697 0.914 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.716 8.932 2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.828 11.812 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.495 10.902 0.494 1.00 0.00 H new ATOM 866 N ALA A 70 6.721 6.891 0.667 1.00 0.00 N ATOM 867 CA ALA A 70 8.134 6.915 1.005 1.00 0.00 C ATOM 868 C ALA A 70 8.818 8.038 0.234 1.00 0.00 C ATOM 869 O ALA A 70 9.966 8.386 0.495 1.00 0.00 O ATOM 870 CB ALA A 70 8.771 5.578 0.676 1.00 0.00 C ATOM 0 H ALA A 70 6.509 6.403 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 70 8.250 7.095 2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.830 5.606 0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.280 4.790 1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.662 5.375 -0.389 1.00 0.00 H new ATOM 876 N LYS A 71 8.074 8.601 -0.716 1.00 0.00 N ATOM 877 CA LYS A 71 8.556 9.671 -1.585 1.00 0.00 C ATOM 878 C LYS A 71 8.975 10.893 -0.775 1.00 0.00 C ATOM 879 O LYS A 71 9.933 11.584 -1.120 1.00 0.00 O ATOM 880 CB LYS A 71 7.445 10.021 -2.589 1.00 0.00 C ATOM 881 CG LYS A 71 7.695 11.263 -3.438 1.00 0.00 C ATOM 882 CD LYS A 71 6.918 12.473 -2.932 1.00 0.00 C ATOM 883 CE LYS A 71 5.411 12.236 -2.972 1.00 0.00 C ATOM 884 NZ LYS A 71 4.628 13.424 -2.533 1.00 0.00 N ATOM 0 H LYS A 71 7.111 8.324 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 71 9.441 9.334 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.300 9.170 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.513 10.159 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.761 11.492 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.413 11.058 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.223 12.700 -1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.165 13.344 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.117 11.967 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.164 11.388 -2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.630 13.300 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.701 13.525 -1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.005 14.277 -2.992 1.00 0.00 H new ATOM 898 N GLU A 72 8.264 11.146 0.312 1.00 0.00 N ATOM 899 CA GLU A 72 8.563 12.279 1.176 1.00 0.00 C ATOM 900 C GLU A 72 9.454 11.866 2.338 1.00 0.00 C ATOM 901 O GLU A 72 9.624 12.603 3.306 1.00 0.00 O ATOM 902 CB GLU A 72 7.263 12.896 1.669 1.00 0.00 C ATOM 903 CG GLU A 72 6.522 13.600 0.560 1.00 0.00 C ATOM 904 CD GLU A 72 5.095 13.950 0.900 1.00 0.00 C ATOM 905 OE1 GLU A 72 4.856 14.601 1.934 1.00 0.00 O ATOM 906 OE2 GLU A 72 4.196 13.568 0.124 1.00 0.00 O ATOM 0 H GLU A 72 7.473 10.580 0.619 1.00 0.00 H new ATOM 0 HA GLU A 72 9.113 13.026 0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.629 12.117 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.477 13.604 2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.058 14.514 0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.528 12.966 -0.327 1.00 0.00 H new ATOM 913 N GLY A 73 10.006 10.669 2.232 1.00 0.00 N ATOM 914 CA GLY A 73 10.977 10.194 3.200 1.00 0.00 C ATOM 915 C GLY A 73 10.349 9.615 4.452 1.00 0.00 C ATOM 916 O GLY A 73 11.023 8.959 5.240 1.00 0.00 O ATOM 0 H GLY A 73 9.797 10.008 1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.603 9.434 2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.633 11.019 3.480 1.00 0.00 H new ATOM 920 N LYS A 74 9.059 9.848 4.631 1.00 0.00 N ATOM 921 CA LYS A 74 8.371 9.409 5.837 1.00 0.00 C ATOM 922 C LYS A 74 8.144 7.902 5.825 1.00 0.00 C ATOM 923 O LYS A 74 8.562 7.197 6.741 1.00 0.00 O ATOM 924 CB LYS A 74 7.033 10.136 5.990 1.00 0.00 C ATOM 925 CG LYS A 74 7.153 11.655 6.000 1.00 0.00 C ATOM 926 CD LYS A 74 8.017 12.173 7.148 1.00 0.00 C ATOM 927 CE LYS A 74 7.285 12.184 8.489 1.00 0.00 C ATOM 928 NZ LYS A 74 7.135 10.827 9.079 1.00 0.00 N ATOM 0 H LYS A 74 8.467 10.337 3.959 1.00 0.00 H new ATOM 0 HA LYS A 74 9.007 9.654 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.374 9.839 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.559 9.813 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.578 11.988 5.053 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.158 12.093 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.909 11.552 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.353 13.184 6.915 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.828 12.820 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.298 12.627 8.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.275 10.879 10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.182 10.464 8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.844 10.188 8.665 1.00 0.00 H new ATOM 942 N GLY A 75 7.483 7.409 4.786 1.00 0.00 N ATOM 943 CA GLY A 75 7.186 5.995 4.717 1.00 0.00 C ATOM 944 C GLY A 75 5.880 5.663 5.403 1.00 0.00 C ATOM 945 O GLY A 75 5.740 4.601 6.006 1.00 0.00 O ATOM 0 H GLY A 75 7.150 7.960 3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.138 5.684 3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.995 5.430 5.181 1.00 0.00 H new ATOM 949 N LYS A 76 4.916 6.572 5.309 1.00 0.00 N ATOM 950 CA LYS A 76 3.655 6.409 6.018 1.00 0.00 C ATOM 951 C LYS A 76 2.605 5.813 5.097 1.00 0.00 C ATOM 952 O LYS A 76 2.648 6.016 3.885 1.00 0.00 O ATOM 953 CB LYS A 76 3.138 7.753 6.546 1.00 0.00 C ATOM 954 CG LYS A 76 2.524 8.643 5.469 1.00 0.00 C ATOM 955 CD LYS A 76 1.556 9.651 6.071 1.00 0.00 C ATOM 956 CE LYS A 76 0.851 10.472 5.005 1.00 0.00 C ATOM 957 NZ LYS A 76 1.787 11.342 4.248 1.00 0.00 N ATOM 0 H LYS A 76 4.984 7.424 4.752 1.00 0.00 H new ATOM 0 HA LYS A 76 3.837 5.740 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.392 7.567 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.961 8.287 7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.315 9.169 4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.002 8.026 4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.815 9.126 6.673 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.098 10.317 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.342 9.802 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.084 11.089 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.252 11.919 3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.292 11.966 4.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.473 10.751 3.736 1.00 0.00 H new ATOM 971 N VAL A 77 1.661 5.089 5.671 1.00 0.00 N ATOM 972 CA VAL A 77 0.582 4.508 4.897 1.00 0.00 C ATOM 973 C VAL A 77 -0.710 5.261 5.203 1.00 0.00 C ATOM 974 O VAL A 77 -1.017 5.553 6.361 1.00 0.00 O ATOM 975 CB VAL A 77 0.436 2.977 5.154 1.00 0.00 C ATOM 976 CG1 VAL A 77 1.704 2.405 5.774 1.00 0.00 C ATOM 977 CG2 VAL A 77 -0.778 2.634 6.007 1.00 0.00 C ATOM 0 H VAL A 77 1.621 4.890 6.671 1.00 0.00 H new ATOM 0 HA VAL A 77 0.813 4.611 3.837 1.00 0.00 H new ATOM 0 HB VAL A 77 0.279 2.514 4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.576 1.336 5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.544 2.568 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.900 2.902 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.828 1.555 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.693 3.127 6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.684 2.974 5.505 1.00 0.00 H new ATOM 987 N THR A 78 -1.425 5.630 4.162 1.00 0.00 N ATOM 988 CA THR A 78 -2.645 6.401 4.308 1.00 0.00 C ATOM 989 C THR A 78 -3.729 5.848 3.392 1.00 0.00 C ATOM 990 O THR A 78 -3.470 5.537 2.229 1.00 0.00 O ATOM 991 CB THR A 78 -2.383 7.899 4.003 1.00 0.00 C ATOM 992 OG1 THR A 78 -3.607 8.645 4.022 1.00 0.00 O ATOM 993 CG2 THR A 78 -1.689 8.082 2.657 1.00 0.00 C ATOM 0 H THR A 78 -1.181 5.407 3.197 1.00 0.00 H new ATOM 0 HA THR A 78 -2.987 6.319 5.340 1.00 0.00 H new ATOM 0 HB THR A 78 -1.723 8.277 4.784 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.419 9.587 3.829 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.521 9.144 2.476 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.732 7.560 2.667 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.317 7.674 1.865 1.00 0.00 H new ATOM 1001 N TYR A 79 -4.933 5.691 3.927 1.00 0.00 N ATOM 1002 CA TYR A 79 -6.038 5.150 3.152 1.00 0.00 C ATOM 1003 C TYR A 79 -6.424 6.114 2.040 1.00 0.00 C ATOM 1004 O TYR A 79 -6.709 7.286 2.297 1.00 0.00 O ATOM 1005 CB TYR A 79 -7.254 4.855 4.038 1.00 0.00 C ATOM 1006 CG TYR A 79 -8.399 4.222 3.275 1.00 0.00 C ATOM 1007 CD1 TYR A 79 -8.467 2.844 3.107 1.00 0.00 C ATOM 1008 CD2 TYR A 79 -9.392 5.002 2.698 1.00 0.00 C ATOM 1009 CE1 TYR A 79 -9.495 2.264 2.390 1.00 0.00 C ATOM 1010 CE2 TYR A 79 -10.419 4.430 1.973 1.00 0.00 C ATOM 1011 CZ TYR A 79 -10.466 3.062 1.822 1.00 0.00 C ATOM 1012 OH TYR A 79 -11.479 2.490 1.088 1.00 0.00 O ATOM 0 H TYR A 79 -5.167 5.930 4.891 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.706 4.209 2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.954 4.192 4.849 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.598 5.783 4.495 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.704 2.217 3.544 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.361 6.075 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.538 1.191 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.181 5.052 1.527 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.080 3.190 0.759 1.00 0.00 H new ATOM 1022 N ASN A 80 -6.430 5.600 0.812 1.00 0.00 N ATOM 1023 CA ASN A 80 -6.754 6.384 -0.375 1.00 0.00 C ATOM 1024 C ASN A 80 -5.908 7.655 -0.417 1.00 0.00 C ATOM 1025 O ASN A 80 -6.430 8.767 -0.350 1.00 0.00 O ATOM 1026 CB ASN A 80 -8.246 6.731 -0.398 1.00 0.00 C ATOM 1027 CG ASN A 80 -8.756 6.984 -1.800 1.00 0.00 C ATOM 1028 OD1 ASN A 80 -8.690 8.103 -2.311 1.00 0.00 O ATOM 1029 ND2 ASN A 80 -9.281 5.945 -2.430 1.00 0.00 N ATOM 0 H ASN A 80 -6.209 4.624 0.613 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.527 5.787 -1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.813 5.916 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.420 7.616 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.650 6.055 -3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.316 5.035 -1.971 1.00 0.00 H new ATOM 1036 N GLY A 81 -4.596 7.462 -0.519 1.00 0.00 N ATOM 1037 CA GLY A 81 -3.656 8.568 -0.432 1.00 0.00 C ATOM 1038 C GLY A 81 -3.869 9.637 -1.484 1.00 0.00 C ATOM 1039 O GLY A 81 -3.747 10.825 -1.196 1.00 0.00 O ATOM 0 H GLY A 81 -4.163 6.550 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -3.735 9.023 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.642 8.179 -0.523 1.00 0.00 H new ATOM 1043 N GLY A 82 -4.167 9.223 -2.705 1.00 0.00 N ATOM 1044 CA GLY A 82 -4.376 10.177 -3.779 1.00 0.00 C ATOM 1045 C GLY A 82 -3.114 10.408 -4.584 1.00 0.00 C ATOM 1046 O GLY A 82 -3.170 10.868 -5.725 1.00 0.00 O ATOM 0 H GLY A 82 -4.268 8.244 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.165 9.815 -4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.719 11.124 -3.362 1.00 0.00 H new ATOM 1050 N GLU A 83 -1.978 10.087 -3.981 1.00 0.00 N ATOM 1051 CA GLU A 83 -0.696 10.148 -4.665 1.00 0.00 C ATOM 1052 C GLU A 83 -0.624 9.040 -5.705 1.00 0.00 C ATOM 1053 O GLU A 83 -1.239 7.989 -5.533 1.00 0.00 O ATOM 1054 CB GLU A 83 0.445 9.974 -3.661 1.00 0.00 C ATOM 1055 CG GLU A 83 0.491 11.034 -2.572 1.00 0.00 C ATOM 1056 CD GLU A 83 0.890 12.397 -3.097 1.00 0.00 C ATOM 1057 OE1 GLU A 83 2.109 12.668 -3.194 1.00 0.00 O ATOM 1058 OE2 GLU A 83 -0.007 13.209 -3.405 1.00 0.00 O ATOM 0 H GLU A 83 -1.920 9.779 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.599 11.119 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.355 8.994 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.392 9.984 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.488 11.104 -2.098 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.197 10.726 -1.801 1.00 0.00 H new ATOM 1065 N LYS A 84 0.120 9.270 -6.776 1.00 0.00 N ATOM 1066 CA LYS A 84 0.288 8.262 -7.811 1.00 0.00 C ATOM 1067 C LYS A 84 1.418 7.312 -7.434 1.00 0.00 C ATOM 1068 O LYS A 84 2.596 7.683 -7.475 1.00 0.00 O ATOM 1069 CB LYS A 84 0.571 8.920 -9.154 1.00 0.00 C ATOM 1070 CG LYS A 84 -0.546 9.837 -9.615 1.00 0.00 C ATOM 1071 CD LYS A 84 -0.266 10.388 -10.997 1.00 0.00 C ATOM 1072 CE LYS A 84 -1.315 11.389 -11.416 1.00 0.00 C ATOM 1073 NZ LYS A 84 -0.987 12.028 -12.715 1.00 0.00 N ATOM 0 H LYS A 84 0.616 10.144 -6.951 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.636 7.691 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.496 9.492 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.731 8.146 -9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.489 9.290 -9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.660 10.659 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.716 10.861 -11.009 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.234 9.570 -11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.282 10.891 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.411 12.157 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.733 12.708 -12.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.077 12.525 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.921 11.299 -13.454 1.00 0.00 H new ATOM 1087 N PRO A 85 1.071 6.075 -7.059 1.00 0.00 N ATOM 1088 CA PRO A 85 2.043 5.079 -6.619 1.00 0.00 C ATOM 1089 C PRO A 85 2.952 4.622 -7.743 1.00 0.00 C ATOM 1090 O PRO A 85 2.489 4.244 -8.821 1.00 0.00 O ATOM 1091 CB PRO A 85 1.185 3.908 -6.131 1.00 0.00 C ATOM 1092 CG PRO A 85 -0.198 4.446 -6.012 1.00 0.00 C ATOM 1093 CD PRO A 85 -0.299 5.553 -7.017 1.00 0.00 C ATOM 0 HA PRO A 85 2.705 5.484 -5.854 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.222 3.075 -6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.543 3.533 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -0.937 3.670 -6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.387 4.816 -5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.623 5.187 -7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.014 6.316 -6.709 1.00 0.00 H new ATOM 1101 N ASP A 86 4.250 4.669 -7.480 1.00 0.00 N ATOM 1102 CA ASP A 86 5.248 4.173 -8.416 1.00 0.00 C ATOM 1103 C ASP A 86 5.049 2.684 -8.638 1.00 0.00 C ATOM 1104 O ASP A 86 5.296 2.164 -9.725 1.00 0.00 O ATOM 1105 CB ASP A 86 6.656 4.427 -7.879 1.00 0.00 C ATOM 1106 CG ASP A 86 6.900 5.886 -7.559 1.00 0.00 C ATOM 1107 OD1 ASP A 86 6.524 6.321 -6.455 1.00 0.00 O ATOM 1108 OD2 ASP A 86 7.457 6.607 -8.413 1.00 0.00 O ATOM 0 H ASP A 86 4.639 5.050 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 86 5.131 4.701 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.812 3.830 -6.980 1.00 0.00 H new ATOM 0 HB3 ASP A 86 7.388 4.092 -8.614 1.00 0.00 H new ATOM 1113 N VAL A 87 4.606 2.005 -7.588 1.00 0.00 N ATOM 1114 CA VAL A 87 4.283 0.593 -7.662 1.00 0.00 C ATOM 1115 C VAL A 87 2.990 0.303 -6.907 1.00 0.00 C ATOM 1116 O VAL A 87 2.715 0.907 -5.871 1.00 0.00 O ATOM 1117 CB VAL A 87 5.421 -0.294 -7.110 1.00 0.00 C ATOM 1118 CG1 VAL A 87 6.534 -0.431 -8.128 1.00 0.00 C ATOM 1119 CG2 VAL A 87 5.985 0.251 -5.811 1.00 0.00 C ATOM 0 H VAL A 87 4.462 2.418 -6.667 1.00 0.00 H new ATOM 0 HA VAL A 87 4.153 0.349 -8.716 1.00 0.00 H new ATOM 0 HB VAL A 87 4.991 -1.275 -6.908 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.325 -1.059 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.142 -0.887 -9.037 1.00 0.00 H new ATOM 0 HG13 VAL A 87 6.937 0.554 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.782 -0.403 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.384 1.251 -5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.195 0.296 -5.062 1.00 0.00 H new ATOM 1129 N THR A 88 2.186 -0.601 -7.445 1.00 0.00 N ATOM 1130 CA THR A 88 0.914 -0.954 -6.836 1.00 0.00 C ATOM 1131 C THR A 88 0.825 -2.459 -6.623 1.00 0.00 C ATOM 1132 O THR A 88 1.019 -3.232 -7.558 1.00 0.00 O ATOM 1133 CB THR A 88 -0.269 -0.498 -7.715 1.00 0.00 C ATOM 1134 OG1 THR A 88 -0.140 0.901 -8.008 1.00 0.00 O ATOM 1135 CG2 THR A 88 -1.605 -0.754 -7.025 1.00 0.00 C ATOM 0 H THR A 88 2.394 -1.106 -8.307 1.00 0.00 H new ATOM 0 HA THR A 88 0.858 -0.444 -5.874 1.00 0.00 H new ATOM 0 HB THR A 88 -0.247 -1.076 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.891 1.189 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.418 -0.421 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.713 -1.820 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.640 -0.204 -6.085 1.00 0.00 H new ATOM 1143 N PHE A 89 0.541 -2.866 -5.395 1.00 0.00 N ATOM 1144 CA PHE A 89 0.415 -4.276 -5.064 1.00 0.00 C ATOM 1145 C PHE A 89 -1.041 -4.618 -4.796 1.00 0.00 C ATOM 1146 O PHE A 89 -1.694 -3.973 -3.977 1.00 0.00 O ATOM 1147 CB PHE A 89 1.247 -4.629 -3.824 1.00 0.00 C ATOM 1148 CG PHE A 89 2.698 -4.247 -3.915 1.00 0.00 C ATOM 1149 CD1 PHE A 89 3.113 -2.967 -3.583 1.00 0.00 C ATOM 1150 CD2 PHE A 89 3.645 -5.171 -4.321 1.00 0.00 C ATOM 1151 CE1 PHE A 89 4.445 -2.616 -3.656 1.00 0.00 C ATOM 1152 CE2 PHE A 89 4.980 -4.824 -4.399 1.00 0.00 C ATOM 1153 CZ PHE A 89 5.381 -3.546 -4.066 1.00 0.00 C ATOM 0 H PHE A 89 0.393 -2.235 -4.607 1.00 0.00 H new ATOM 0 HA PHE A 89 0.784 -4.853 -5.912 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.809 -4.136 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.178 -5.703 -3.650 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.385 -2.236 -3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.337 -6.173 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.756 -1.616 -3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.710 -5.553 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.424 -3.273 -4.126 1.00 0.00 H new ATOM 1163 N THR A 90 -1.558 -5.603 -5.508 1.00 0.00 N ATOM 1164 CA THR A 90 -2.891 -6.109 -5.236 1.00 0.00 C ATOM 1165 C THR A 90 -2.788 -7.375 -4.399 1.00 0.00 C ATOM 1166 O THR A 90 -2.244 -8.384 -4.853 1.00 0.00 O ATOM 1167 CB THR A 90 -3.659 -6.406 -6.533 1.00 0.00 C ATOM 1168 OG1 THR A 90 -3.478 -5.325 -7.456 1.00 0.00 O ATOM 1169 CG2 THR A 90 -5.144 -6.591 -6.251 1.00 0.00 C ATOM 0 H THR A 90 -1.076 -6.068 -6.278 1.00 0.00 H new ATOM 0 HA THR A 90 -3.442 -5.342 -4.691 1.00 0.00 H new ATOM 0 HB THR A 90 -3.269 -7.329 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.967 -5.516 -8.284 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.668 -6.800 -7.184 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.282 -7.424 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.546 -5.681 -5.805 1.00 0.00 H new ATOM 1177 N ILE A 91 -3.284 -7.302 -3.174 1.00 0.00 N ATOM 1178 CA ILE A 91 -3.168 -8.386 -2.218 1.00 0.00 C ATOM 1179 C ILE A 91 -4.489 -8.566 -1.478 1.00 0.00 C ATOM 1180 O ILE A 91 -5.246 -7.615 -1.310 1.00 0.00 O ATOM 1181 CB ILE A 91 -2.044 -8.079 -1.198 1.00 0.00 C ATOM 1182 CG1 ILE A 91 -0.684 -8.012 -1.894 1.00 0.00 C ATOM 1183 CG2 ILE A 91 -2.019 -9.121 -0.098 1.00 0.00 C ATOM 1184 CD1 ILE A 91 0.407 -7.399 -1.044 1.00 0.00 C ATOM 0 H ILE A 91 -3.780 -6.486 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.924 -9.303 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.252 -7.107 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.384 -9.019 -2.183 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.784 -7.434 -2.812 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.222 -8.886 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.976 -9.123 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.841 -10.105 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.341 -7.386 -1.605 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.130 -6.379 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.537 -7.990 -0.137 1.00 0.00 H new ATOM 1196 N SER A 92 -4.769 -9.787 -1.060 1.00 0.00 N ATOM 1197 CA SER A 92 -5.961 -10.064 -0.285 1.00 0.00 C ATOM 1198 C SER A 92 -5.680 -9.935 1.209 1.00 0.00 C ATOM 1199 O SER A 92 -4.632 -10.386 1.674 1.00 0.00 O ATOM 1200 CB SER A 92 -6.478 -11.463 -0.601 1.00 0.00 C ATOM 1201 OG SER A 92 -6.767 -11.595 -1.981 1.00 0.00 O ATOM 0 H SER A 92 -4.185 -10.603 -1.245 1.00 0.00 H new ATOM 0 HA SER A 92 -6.722 -9.332 -0.555 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.735 -12.204 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.376 -11.664 -0.016 1.00 0.00 H new ATOM 0 HG SER A 92 -7.189 -10.773 -2.307 1.00 0.00 H new ATOM 1207 N ASP A 93 -6.602 -9.311 1.938 1.00 0.00 N ATOM 1208 CA ASP A 93 -6.447 -9.059 3.379 1.00 0.00 C ATOM 1209 C ASP A 93 -5.887 -10.276 4.111 1.00 0.00 C ATOM 1210 O ASP A 93 -4.881 -10.186 4.819 1.00 0.00 O ATOM 1211 CB ASP A 93 -7.806 -8.677 3.973 1.00 0.00 C ATOM 1212 CG ASP A 93 -7.779 -8.528 5.483 1.00 0.00 C ATOM 1213 OD1 ASP A 93 -7.370 -7.460 5.976 1.00 0.00 O ATOM 1214 OD2 ASP A 93 -8.195 -9.477 6.184 1.00 0.00 O ATOM 0 H ASP A 93 -7.480 -8.964 1.552 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.736 -8.242 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.139 -7.739 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.540 -9.436 3.703 1.00 0.00 H new ATOM 1219 N GLU A 94 -6.532 -11.414 3.888 1.00 0.00 N ATOM 1220 CA GLU A 94 -6.176 -12.674 4.539 1.00 0.00 C ATOM 1221 C GLU A 94 -4.699 -13.032 4.348 1.00 0.00 C ATOM 1222 O GLU A 94 -4.044 -13.499 5.276 1.00 0.00 O ATOM 1223 CB GLU A 94 -7.036 -13.816 3.985 1.00 0.00 C ATOM 1224 CG GLU A 94 -8.208 -13.360 3.125 1.00 0.00 C ATOM 1225 CD GLU A 94 -9.031 -14.520 2.606 1.00 0.00 C ATOM 1226 OE1 GLU A 94 -8.653 -15.107 1.568 1.00 0.00 O ATOM 1227 OE2 GLU A 94 -10.057 -14.853 3.235 1.00 0.00 O ATOM 0 H GLU A 94 -7.322 -11.492 3.247 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.359 -12.540 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.403 -14.478 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.420 -14.403 4.819 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.847 -12.698 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -7.832 -12.779 2.283 1.00 0.00 H new ATOM 1234 N ASP A 95 -4.181 -12.814 3.144 1.00 0.00 N ATOM 1235 CA ASP A 95 -2.820 -13.231 2.808 1.00 0.00 C ATOM 1236 C ASP A 95 -1.807 -12.138 3.113 1.00 0.00 C ATOM 1237 O ASP A 95 -0.609 -12.408 3.208 1.00 0.00 O ATOM 1238 CB ASP A 95 -2.709 -13.629 1.335 1.00 0.00 C ATOM 1239 CG ASP A 95 -3.491 -14.883 1.005 1.00 0.00 C ATOM 1240 OD1 ASP A 95 -4.703 -14.782 0.730 1.00 0.00 O ATOM 1241 OD2 ASP A 95 -2.893 -15.979 1.012 1.00 0.00 O ATOM 0 H ASP A 95 -4.680 -12.352 2.384 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.596 -14.098 3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.068 -12.809 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.660 -13.784 1.083 1.00 0.00 H new ATOM 1246 N VAL A 96 -2.286 -10.906 3.255 1.00 0.00 N ATOM 1247 CA VAL A 96 -1.406 -9.772 3.518 1.00 0.00 C ATOM 1248 C VAL A 96 -0.598 -10.020 4.788 1.00 0.00 C ATOM 1249 O VAL A 96 0.546 -9.591 4.905 1.00 0.00 O ATOM 1250 CB VAL A 96 -2.201 -8.443 3.661 1.00 0.00 C ATOM 1251 CG1 VAL A 96 -2.465 -8.103 5.122 1.00 0.00 C ATOM 1252 CG2 VAL A 96 -1.481 -7.293 2.975 1.00 0.00 C ATOM 0 H VAL A 96 -3.276 -10.668 3.193 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.735 -9.674 2.664 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.162 -8.591 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.022 -7.168 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.045 -8.902 5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.516 -7.995 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.062 -6.378 3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.498 -7.159 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.367 -7.516 1.914 1.00 0.00 H new ATOM 1262 N VAL A 97 -1.195 -10.755 5.717 1.00 0.00 N ATOM 1263 CA VAL A 97 -0.600 -10.966 7.022 1.00 0.00 C ATOM 1264 C VAL A 97 0.637 -11.846 6.917 1.00 0.00 C ATOM 1265 O VAL A 97 1.567 -11.725 7.713 1.00 0.00 O ATOM 1266 CB VAL A 97 -1.619 -11.586 8.007 1.00 0.00 C ATOM 1267 CG1 VAL A 97 -2.936 -10.837 7.928 1.00 0.00 C ATOM 1268 CG2 VAL A 97 -1.838 -13.067 7.731 1.00 0.00 C ATOM 0 H VAL A 97 -2.096 -11.216 5.586 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.301 -9.992 7.410 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.210 -11.495 9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.648 -11.279 8.624 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.776 -9.791 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.331 -10.902 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.560 -13.467 8.443 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.218 -13.196 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.893 -13.600 7.834 1.00 0.00 H new ATOM 1278 N ASP A 98 0.655 -12.717 5.918 1.00 0.00 N ATOM 1279 CA ASP A 98 1.805 -13.555 5.676 1.00 0.00 C ATOM 1280 C ASP A 98 2.856 -12.747 4.950 1.00 0.00 C ATOM 1281 O ASP A 98 4.040 -12.847 5.239 1.00 0.00 O ATOM 1282 CB ASP A 98 1.445 -14.779 4.832 1.00 0.00 C ATOM 1283 CG ASP A 98 0.384 -15.657 5.456 1.00 0.00 C ATOM 1284 OD1 ASP A 98 -0.811 -15.346 5.308 1.00 0.00 O ATOM 1285 OD2 ASP A 98 0.743 -16.687 6.067 1.00 0.00 O ATOM 0 H ASP A 98 -0.117 -12.857 5.266 1.00 0.00 H new ATOM 0 HA ASP A 98 2.180 -13.906 6.638 1.00 0.00 H new ATOM 0 HB2 ASP A 98 1.099 -14.446 3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 98 2.344 -15.373 4.667 1.00 0.00 H new ATOM 1290 N LEU A 99 2.404 -11.923 4.021 1.00 0.00 N ATOM 1291 CA LEU A 99 3.306 -11.135 3.190 1.00 0.00 C ATOM 1292 C LEU A 99 4.018 -10.075 4.019 1.00 0.00 C ATOM 1293 O LEU A 99 5.220 -9.858 3.874 1.00 0.00 O ATOM 1294 CB LEU A 99 2.526 -10.486 2.045 1.00 0.00 C ATOM 1295 CG LEU A 99 1.973 -11.468 1.011 1.00 0.00 C ATOM 1296 CD1 LEU A 99 0.985 -10.781 0.086 1.00 0.00 C ATOM 1297 CD2 LEU A 99 3.104 -12.080 0.204 1.00 0.00 C ATOM 0 H LEU A 99 1.414 -11.780 3.820 1.00 0.00 H new ATOM 0 HA LEU A 99 4.062 -11.799 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.697 -9.917 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.177 -9.774 1.538 1.00 0.00 H new ATOM 0 HG LEU A 99 1.450 -12.262 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.606 -11.500 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.155 -10.384 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.483 -9.965 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.694 -12.776 -0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.650 -11.291 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.781 -12.612 0.872 1.00 0.00 H new ATOM 1309 N ILE A 100 3.268 -9.439 4.906 1.00 0.00 N ATOM 1310 CA ILE A 100 3.803 -8.394 5.765 1.00 0.00 C ATOM 1311 C ILE A 100 4.702 -8.977 6.858 1.00 0.00 C ATOM 1312 O ILE A 100 5.608 -8.308 7.357 1.00 0.00 O ATOM 1313 CB ILE A 100 2.651 -7.567 6.390 1.00 0.00 C ATOM 1314 CG1 ILE A 100 1.849 -6.894 5.271 1.00 0.00 C ATOM 1315 CG2 ILE A 100 3.179 -6.547 7.390 1.00 0.00 C ATOM 1316 CD1 ILE A 100 0.833 -5.878 5.745 1.00 0.00 C ATOM 0 H ILE A 100 2.277 -9.631 5.050 1.00 0.00 H new ATOM 0 HA ILE A 100 4.414 -7.734 5.150 1.00 0.00 H new ATOM 0 HB ILE A 100 1.992 -8.236 6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.544 -6.403 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.332 -7.665 4.699 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.345 -5.984 7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.708 -7.063 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.862 -5.863 6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.314 -5.454 4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.111 -6.364 6.401 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.341 -5.083 6.290 1.00 0.00 H new ATOM 1328 N SER A 101 4.472 -10.234 7.208 1.00 0.00 N ATOM 1329 CA SER A 101 5.244 -10.875 8.262 1.00 0.00 C ATOM 1330 C SER A 101 6.411 -11.681 7.679 1.00 0.00 C ATOM 1331 O SER A 101 7.235 -12.218 8.420 1.00 0.00 O ATOM 1332 CB SER A 101 4.331 -11.776 9.101 1.00 0.00 C ATOM 1333 OG SER A 101 4.968 -12.203 10.296 1.00 0.00 O ATOM 0 H SER A 101 3.761 -10.827 6.780 1.00 0.00 H new ATOM 0 HA SER A 101 5.664 -10.100 8.903 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.416 -11.237 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.039 -12.646 8.513 1.00 0.00 H new ATOM 0 HG SER A 101 5.928 -12.315 10.133 1.00 0.00 H new ATOM 1339 N GLY A 102 6.477 -11.765 6.353 1.00 0.00 N ATOM 1340 CA GLY A 102 7.555 -12.498 5.708 1.00 0.00 C ATOM 1341 C GLY A 102 7.292 -13.989 5.676 1.00 0.00 C ATOM 1342 O GLY A 102 8.194 -14.789 5.424 1.00 0.00 O ATOM 0 H GLY A 102 5.805 -11.340 5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 102 7.683 -12.131 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.489 -12.307 6.236 1.00 0.00 H new ATOM 1346 N LYS A 103 6.046 -14.355 5.931 1.00 0.00 N ATOM 1347 CA LYS A 103 5.627 -15.748 5.956 1.00 0.00 C ATOM 1348 C LYS A 103 5.354 -16.243 4.550 1.00 0.00 C ATOM 1349 O LYS A 103 5.740 -17.349 4.175 1.00 0.00 O ATOM 1350 CB LYS A 103 4.354 -15.876 6.785 1.00 0.00 C ATOM 1351 CG LYS A 103 4.555 -15.587 8.264 1.00 0.00 C ATOM 1352 CD LYS A 103 3.244 -15.629 9.032 1.00 0.00 C ATOM 1353 CE LYS A 103 2.639 -17.023 9.044 1.00 0.00 C ATOM 1354 NZ LYS A 103 3.527 -18.013 9.709 1.00 0.00 N ATOM 0 H LYS A 103 5.295 -13.693 6.127 1.00 0.00 H new ATOM 0 HA LYS A 103 6.424 -16.347 6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 103 3.603 -15.192 6.389 1.00 0.00 H new ATOM 0 HB3 LYS A 103 3.957 -16.885 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 103 5.247 -16.316 8.686 1.00 0.00 H new ATOM 0 HG3 LYS A 103 5.015 -14.606 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 103 3.413 -15.298 10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.538 -14.931 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.678 -16.996 9.558 1.00 0.00 H new ATOM 0 HE3 LYS A 103 2.444 -17.342 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.991 -18.882 9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 4.328 -18.236 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.884 -17.615 10.601 1.00 0.00 H new ATOM 1368 N LEU A 104 4.695 -15.403 3.776 1.00 0.00 N ATOM 1369 CA LEU A 104 4.372 -15.721 2.402 1.00 0.00 C ATOM 1370 C LEU A 104 5.288 -14.952 1.465 1.00 0.00 C ATOM 1371 O LEU A 104 5.392 -13.731 1.548 1.00 0.00 O ATOM 1372 CB LEU A 104 2.901 -15.394 2.137 1.00 0.00 C ATOM 1373 CG LEU A 104 2.419 -15.526 0.691 1.00 0.00 C ATOM 1374 CD1 LEU A 104 2.676 -16.923 0.153 1.00 0.00 C ATOM 1375 CD2 LEU A 104 0.937 -15.187 0.595 1.00 0.00 C ATOM 0 H LEU A 104 4.370 -14.486 4.081 1.00 0.00 H new ATOM 0 HA LEU A 104 4.525 -16.785 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.289 -16.046 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.715 -14.372 2.466 1.00 0.00 H new ATOM 0 HG LEU A 104 2.983 -14.820 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.323 -16.987 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.745 -17.134 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.145 -17.652 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.608 -15.285 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.366 -15.870 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.775 -14.163 0.932 1.00 0.00 H new ATOM 1387 N ASN A 105 5.974 -15.686 0.606 1.00 0.00 N ATOM 1388 CA ASN A 105 6.874 -15.090 -0.371 1.00 0.00 C ATOM 1389 C ASN A 105 6.080 -14.366 -1.450 1.00 0.00 C ATOM 1390 O ASN A 105 5.320 -14.989 -2.191 1.00 0.00 O ATOM 1391 CB ASN A 105 7.755 -16.174 -1.009 1.00 0.00 C ATOM 1392 CG ASN A 105 8.796 -16.723 -0.052 1.00 0.00 C ATOM 1393 OD1 ASN A 105 8.551 -17.701 0.655 1.00 0.00 O ATOM 1394 ND2 ASN A 105 9.966 -16.106 -0.025 1.00 0.00 N ATOM 0 H ASN A 105 5.925 -16.704 0.564 1.00 0.00 H new ATOM 0 HA ASN A 105 7.512 -14.369 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.123 -16.990 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.255 -15.761 -1.885 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.703 -16.438 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.131 -15.299 -0.626 1.00 0.00 H new ATOM 1401 N PRO A 106 6.240 -13.032 -1.552 1.00 0.00 N ATOM 1402 CA PRO A 106 5.554 -12.245 -2.572 1.00 0.00 C ATOM 1403 C PRO A 106 5.936 -12.701 -3.971 1.00 0.00 C ATOM 1404 O PRO A 106 5.198 -12.487 -4.926 1.00 0.00 O ATOM 1405 CB PRO A 106 5.997 -10.799 -2.338 1.00 0.00 C ATOM 1406 CG PRO A 106 6.811 -10.788 -1.085 1.00 0.00 C ATOM 1407 CD PRO A 106 7.094 -12.213 -0.681 1.00 0.00 C ATOM 0 HA PRO A 106 4.472 -12.358 -2.499 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.583 -10.434 -3.182 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.133 -10.142 -2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.744 -10.248 -1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.275 -10.269 -0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.147 -12.460 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 106 6.860 -12.379 0.371 1.00 0.00 H new ATOM 1415 N GLN A 107 7.098 -13.337 -4.073 1.00 0.00 N ATOM 1416 CA GLN A 107 7.539 -13.947 -5.311 1.00 0.00 C ATOM 1417 C GLN A 107 6.586 -15.052 -5.743 1.00 0.00 C ATOM 1418 O GLN A 107 5.998 -14.996 -6.822 1.00 0.00 O ATOM 1419 CB GLN A 107 8.928 -14.534 -5.134 1.00 0.00 C ATOM 1420 CG GLN A 107 10.032 -13.496 -5.032 1.00 0.00 C ATOM 1421 CD GLN A 107 11.406 -14.127 -4.969 1.00 0.00 C ATOM 1422 OE1 GLN A 107 12.049 -14.345 -5.994 1.00 0.00 O ATOM 1423 NE2 GLN A 107 11.863 -14.431 -3.768 1.00 0.00 N ATOM 0 H GLN A 107 7.755 -13.441 -3.300 1.00 0.00 H new ATOM 0 HA GLN A 107 7.557 -13.174 -6.079 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.939 -15.149 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.141 -15.194 -5.975 1.00 0.00 H new ATOM 0 HG2 GLN A 107 9.980 -12.827 -5.891 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.873 -12.885 -4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.298 -14.234 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 107 12.781 -14.863 -3.666 1.00 0.00 H new ATOM 1432 N LYS A 108 6.429 -16.055 -4.884 1.00 0.00 N ATOM 1433 CA LYS A 108 5.585 -17.194 -5.202 1.00 0.00 C ATOM 1434 C LYS A 108 4.142 -16.746 -5.334 1.00 0.00 C ATOM 1435 O LYS A 108 3.391 -17.273 -6.148 1.00 0.00 O ATOM 1436 CB LYS A 108 5.712 -18.298 -4.139 1.00 0.00 C ATOM 1437 CG LYS A 108 4.972 -18.019 -2.836 1.00 0.00 C ATOM 1438 CD LYS A 108 3.999 -19.134 -2.473 1.00 0.00 C ATOM 1439 CE LYS A 108 2.667 -18.992 -3.197 1.00 0.00 C ATOM 1440 NZ LYS A 108 1.697 -20.044 -2.790 1.00 0.00 N ATOM 0 H LYS A 108 6.874 -16.099 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 108 5.917 -17.611 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 108 5.339 -19.232 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 108 6.768 -18.448 -3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.695 -17.894 -2.030 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.427 -17.079 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.444 -20.098 -2.720 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.828 -19.129 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.244 -18.009 -2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.831 -19.047 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.804 -19.911 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.089 -20.982 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.520 -19.976 -1.768 1.00 0.00 H new ATOM 1454 N ALA A 109 3.761 -15.752 -4.545 1.00 0.00 N ATOM 1455 CA ALA A 109 2.404 -15.237 -4.594 1.00 0.00 C ATOM 1456 C ALA A 109 2.178 -14.459 -5.883 1.00 0.00 C ATOM 1457 O ALA A 109 1.065 -14.411 -6.401 1.00 0.00 O ATOM 1458 CB ALA A 109 2.103 -14.378 -3.380 1.00 0.00 C ATOM 0 H ALA A 109 4.369 -15.290 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 109 1.716 -16.083 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.081 -14.005 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.217 -14.974 -2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.795 -13.536 -3.349 1.00 0.00 H new ATOM 1464 N PHE A 110 3.240 -13.854 -6.402 1.00 0.00 N ATOM 1465 CA PHE A 110 3.170 -13.170 -7.684 1.00 0.00 C ATOM 1466 C PHE A 110 2.923 -14.196 -8.788 1.00 0.00 C ATOM 1467 O PHE A 110 2.079 -14.004 -9.663 1.00 0.00 O ATOM 1468 CB PHE A 110 4.473 -12.403 -7.960 1.00 0.00 C ATOM 1469 CG PHE A 110 4.465 -11.596 -9.235 1.00 0.00 C ATOM 1470 CD1 PHE A 110 4.767 -12.185 -10.453 1.00 0.00 C ATOM 1471 CD2 PHE A 110 4.160 -10.245 -9.211 1.00 0.00 C ATOM 1472 CE1 PHE A 110 4.760 -11.443 -11.620 1.00 0.00 C ATOM 1473 CE2 PHE A 110 4.153 -9.499 -10.375 1.00 0.00 C ATOM 1474 CZ PHE A 110 4.452 -10.099 -11.580 1.00 0.00 C ATOM 0 H PHE A 110 4.156 -13.824 -5.955 1.00 0.00 H new ATOM 0 HA PHE A 110 2.350 -12.452 -7.660 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.670 -11.734 -7.122 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.297 -13.115 -8.000 1.00 0.00 H new ATOM 0 HD1 PHE A 110 5.011 -13.236 -10.491 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.925 -9.768 -8.271 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.996 -11.916 -12.562 1.00 0.00 H new ATOM 0 HE2 PHE A 110 3.913 -8.446 -10.340 1.00 0.00 H new ATOM 0 HZ PHE A 110 4.445 -9.518 -12.490 1.00 0.00 H new ATOM 1484 N PHE A 111 3.666 -15.295 -8.716 1.00 0.00 N ATOM 1485 CA PHE A 111 3.572 -16.375 -9.691 1.00 0.00 C ATOM 1486 C PHE A 111 2.219 -17.081 -9.611 1.00 0.00 C ATOM 1487 O PHE A 111 1.651 -17.482 -10.629 1.00 0.00 O ATOM 1488 CB PHE A 111 4.701 -17.382 -9.447 1.00 0.00 C ATOM 1489 CG PHE A 111 4.739 -18.516 -10.435 1.00 0.00 C ATOM 1490 CD1 PHE A 111 5.301 -18.342 -11.689 1.00 0.00 C ATOM 1491 CD2 PHE A 111 4.216 -19.757 -10.106 1.00 0.00 C ATOM 1492 CE1 PHE A 111 5.338 -19.383 -12.595 1.00 0.00 C ATOM 1493 CE2 PHE A 111 4.251 -20.800 -11.008 1.00 0.00 C ATOM 1494 CZ PHE A 111 4.812 -20.613 -12.255 1.00 0.00 C ATOM 0 H PHE A 111 4.351 -15.462 -7.979 1.00 0.00 H new ATOM 0 HA PHE A 111 3.667 -15.946 -10.689 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.655 -16.856 -9.478 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.596 -17.793 -8.443 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.715 -17.382 -11.961 1.00 0.00 H new ATOM 0 HD2 PHE A 111 3.776 -19.909 -9.132 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.779 -19.235 -13.570 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.840 -21.762 -10.739 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.839 -21.428 -12.964 1.00 0.00 H new ATOM 1504 N GLN A 112 1.712 -17.237 -8.396 1.00 0.00 N ATOM 1505 CA GLN A 112 0.463 -17.945 -8.164 1.00 0.00 C ATOM 1506 C GLN A 112 -0.757 -17.053 -8.407 1.00 0.00 C ATOM 1507 O GLN A 112 -1.894 -17.523 -8.370 1.00 0.00 O ATOM 1508 CB GLN A 112 0.455 -18.501 -6.743 1.00 0.00 C ATOM 1509 CG GLN A 112 1.477 -19.607 -6.527 1.00 0.00 C ATOM 1510 CD GLN A 112 1.210 -20.834 -7.379 1.00 0.00 C ATOM 1511 OE1 GLN A 112 0.063 -21.139 -7.713 1.00 0.00 O ATOM 1512 NE2 GLN A 112 2.266 -21.552 -7.725 1.00 0.00 N ATOM 0 H GLN A 112 2.152 -16.878 -7.549 1.00 0.00 H new ATOM 0 HA GLN A 112 0.397 -18.766 -8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.652 -17.691 -6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -0.540 -18.885 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.472 -19.224 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 112 1.477 -19.894 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.198 -21.264 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.148 -22.393 -8.289 1.00 0.00 H new ATOM 1521 N GLY A 113 -0.519 -15.771 -8.654 1.00 0.00 N ATOM 1522 CA GLY A 113 -1.605 -14.868 -8.997 1.00 0.00 C ATOM 1523 C GLY A 113 -2.266 -14.238 -7.785 1.00 0.00 C ATOM 1524 O GLY A 113 -3.357 -13.676 -7.883 1.00 0.00 O ATOM 0 H GLY A 113 0.405 -15.339 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.222 -14.079 -9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.355 -15.414 -9.569 1.00 0.00 H new ATOM 1528 N LYS A 114 -1.605 -14.322 -6.644 1.00 0.00 N ATOM 1529 CA LYS A 114 -2.082 -13.708 -5.434 1.00 0.00 C ATOM 1530 C LYS A 114 -1.704 -12.235 -5.436 1.00 0.00 C ATOM 1531 O LYS A 114 -2.494 -11.367 -5.068 1.00 0.00 O ATOM 1532 CB LYS A 114 -1.443 -14.405 -4.238 1.00 0.00 C ATOM 1533 CG LYS A 114 -1.706 -13.714 -2.923 1.00 0.00 C ATOM 1534 CD LYS A 114 -3.064 -14.061 -2.306 1.00 0.00 C ATOM 1535 CE LYS A 114 -4.240 -13.446 -3.056 1.00 0.00 C ATOM 1536 NZ LYS A 114 -4.852 -14.398 -4.027 1.00 0.00 N ATOM 0 H LYS A 114 -0.721 -14.821 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.166 -13.800 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.816 -15.428 -4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.366 -14.467 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -0.918 -13.981 -2.219 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.649 -12.636 -3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.181 -15.145 -2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.083 -13.720 -1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.996 -13.124 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.904 -12.555 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.132 -13.885 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.161 -15.135 -4.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.691 -14.840 -3.599 1.00 0.00 H new ATOM 1550 N ILE A 115 -0.486 -11.980 -5.876 1.00 0.00 N ATOM 1551 CA ILE A 115 0.080 -10.649 -5.895 1.00 0.00 C ATOM 1552 C ILE A 115 0.086 -10.088 -7.315 1.00 0.00 C ATOM 1553 O ILE A 115 0.552 -10.741 -8.254 1.00 0.00 O ATOM 1554 CB ILE A 115 1.510 -10.683 -5.297 1.00 0.00 C ATOM 1555 CG1 ILE A 115 1.526 -10.107 -3.896 1.00 0.00 C ATOM 1556 CG2 ILE A 115 2.497 -9.914 -6.138 1.00 0.00 C ATOM 1557 CD1 ILE A 115 2.630 -10.670 -3.047 1.00 0.00 C ATOM 0 H ILE A 115 0.142 -12.700 -6.233 1.00 0.00 H new ATOM 0 HA ILE A 115 -0.535 -9.988 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 115 1.806 -11.732 -5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 115 1.635 -9.024 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.568 -10.305 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.484 -9.966 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 115 2.538 -10.346 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.183 -8.872 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 115 2.591 -10.220 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.508 -11.750 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 115 3.593 -10.449 -3.508 1.00 0.00 H new ATOM 1569 N LYS A 116 -0.480 -8.901 -7.471 1.00 0.00 N ATOM 1570 CA LYS A 116 -0.452 -8.197 -8.745 1.00 0.00 C ATOM 1571 C LYS A 116 0.242 -6.852 -8.561 1.00 0.00 C ATOM 1572 O LYS A 116 -0.367 -5.899 -8.071 1.00 0.00 O ATOM 1573 CB LYS A 116 -1.874 -7.973 -9.279 1.00 0.00 C ATOM 1574 CG LYS A 116 -2.747 -9.221 -9.302 1.00 0.00 C ATOM 1575 CD LYS A 116 -2.199 -10.271 -10.249 1.00 0.00 C ATOM 1576 CE LYS A 116 -3.134 -11.466 -10.365 1.00 0.00 C ATOM 1577 NZ LYS A 116 -4.472 -11.083 -10.893 1.00 0.00 N ATOM 0 H LYS A 116 -0.967 -8.402 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 116 0.094 -8.804 -9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.363 -7.215 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -1.809 -7.572 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.814 -9.637 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.759 -8.952 -9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.048 -9.830 -11.234 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -1.223 -10.605 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -2.687 -12.213 -11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.251 -11.930 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.970 -11.933 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.026 -10.629 -10.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.356 -10.418 -11.684 1.00 0.00 H new ATOM 1591 N ILE A 117 1.512 -6.778 -8.931 1.00 0.00 N ATOM 1592 CA ILE A 117 2.296 -5.571 -8.739 1.00 0.00 C ATOM 1593 C ILE A 117 2.939 -5.105 -10.045 1.00 0.00 C ATOM 1594 O ILE A 117 3.546 -5.893 -10.770 1.00 0.00 O ATOM 1595 CB ILE A 117 3.372 -5.799 -7.643 1.00 0.00 C ATOM 1596 CG1 ILE A 117 4.616 -4.949 -7.873 1.00 0.00 C ATOM 1597 CG2 ILE A 117 3.760 -7.261 -7.555 1.00 0.00 C ATOM 1598 CD1 ILE A 117 4.441 -3.487 -7.536 1.00 0.00 C ATOM 0 H ILE A 117 2.022 -7.545 -9.368 1.00 0.00 H new ATOM 0 HA ILE A 117 1.622 -4.780 -8.409 1.00 0.00 H new ATOM 0 HB ILE A 117 2.923 -5.491 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 117 5.433 -5.352 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 117 4.913 -5.036 -8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 117 4.515 -7.391 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.881 -7.857 -7.309 1.00 0.00 H new ATOM 0 HG23 ILE A 117 4.164 -7.589 -8.513 1.00 0.00 H new ATOM 0 HD11 ILE A 117 5.373 -2.955 -7.728 1.00 0.00 H new ATOM 0 HD12 ILE A 117 3.648 -3.064 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 117 4.176 -3.385 -6.484 1.00 0.00 H new ATOM 1610 N GLN A 118 2.784 -3.816 -10.340 1.00 0.00 N ATOM 1611 CA GLN A 118 3.437 -3.202 -11.489 1.00 0.00 C ATOM 1612 C GLN A 118 4.912 -2.998 -11.177 1.00 0.00 C ATOM 1613 O GLN A 118 5.262 -2.168 -10.339 1.00 0.00 O ATOM 1614 CB GLN A 118 2.794 -1.855 -11.822 1.00 0.00 C ATOM 1615 CG GLN A 118 1.305 -1.933 -12.110 1.00 0.00 C ATOM 1616 CD GLN A 118 0.709 -0.588 -12.480 1.00 0.00 C ATOM 1617 OE1 GLN A 118 -0.257 -0.513 -13.238 1.00 0.00 O ATOM 1618 NE2 GLN A 118 1.277 0.484 -11.951 1.00 0.00 N ATOM 0 H GLN A 118 2.208 -3.175 -9.794 1.00 0.00 H new ATOM 0 HA GLN A 118 3.325 -3.861 -12.350 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.957 -1.171 -10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.299 -1.428 -12.688 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.133 -2.638 -12.923 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.790 -2.325 -11.233 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.077 0.382 -11.326 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.915 1.413 -12.168 1.00 0.00 H new ATOM 1627 N GLY A 119 5.767 -3.753 -11.841 1.00 0.00 N ATOM 1628 CA GLY A 119 7.173 -3.741 -11.509 1.00 0.00 C ATOM 1629 C GLY A 119 7.912 -2.539 -12.060 1.00 0.00 C ATOM 1630 O GLY A 119 8.426 -2.581 -13.178 1.00 0.00 O ATOM 0 H GLY A 119 5.512 -4.377 -12.607 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.283 -3.760 -10.425 1.00 0.00 H new ATOM 0 HA3 GLY A 119 7.637 -4.650 -11.892 1.00 0.00 H new ATOM 1634 N ASN A 120 7.954 -1.462 -11.280 1.00 0.00 N ATOM 1635 CA ASN A 120 8.808 -0.322 -11.597 1.00 0.00 C ATOM 1636 C ASN A 120 10.255 -0.770 -11.524 1.00 0.00 C ATOM 1637 O ASN A 120 10.768 -1.049 -10.437 1.00 0.00 O ATOM 1638 CB ASN A 120 8.543 0.851 -10.636 1.00 0.00 C ATOM 1639 CG ASN A 120 9.386 2.087 -10.927 1.00 0.00 C ATOM 1640 OD1 ASN A 120 10.558 1.999 -11.292 1.00 0.00 O ATOM 1641 ND2 ASN A 120 8.784 3.257 -10.772 1.00 0.00 N ATOM 0 H ASN A 120 7.407 -1.355 -10.425 1.00 0.00 H new ATOM 0 HA ASN A 120 8.585 0.034 -12.603 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.488 1.121 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.737 0.523 -9.615 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.293 4.121 -10.957 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.811 3.294 -10.468 1.00 0.00 H new ATOM 1648 N MET A 121 10.887 -0.845 -12.692 1.00 0.00 N ATOM 1649 CA MET A 121 12.191 -1.475 -12.852 1.00 0.00 C ATOM 1650 C MET A 121 13.178 -1.040 -11.780 1.00 0.00 C ATOM 1651 O MET A 121 13.743 -1.874 -11.085 1.00 0.00 O ATOM 1652 CB MET A 121 12.754 -1.163 -14.240 1.00 0.00 C ATOM 1653 CG MET A 121 14.123 -1.770 -14.493 1.00 0.00 C ATOM 1654 SD MET A 121 14.714 -1.471 -16.171 1.00 0.00 S ATOM 1655 CE MET A 121 16.322 -2.260 -16.104 1.00 0.00 C ATOM 0 H MET A 121 10.505 -0.467 -13.559 1.00 0.00 H new ATOM 0 HA MET A 121 12.049 -2.550 -12.744 1.00 0.00 H new ATOM 0 HB2 MET A 121 12.059 -1.529 -14.995 1.00 0.00 H new ATOM 0 HB3 MET A 121 12.817 -0.082 -14.362 1.00 0.00 H new ATOM 0 HG2 MET A 121 14.837 -1.356 -13.781 1.00 0.00 H new ATOM 0 HG3 MET A 121 14.079 -2.844 -14.313 1.00 0.00 H new ATOM 0 HE1 MET A 121 16.816 -2.161 -17.070 1.00 0.00 H new ATOM 0 HE2 MET A 121 16.930 -1.783 -15.335 1.00 0.00 H new ATOM 0 HE3 MET A 121 16.199 -3.317 -15.866 1.00 0.00 H new ATOM 1665 N GLY A 122 13.348 0.258 -11.619 1.00 0.00 N ATOM 1666 CA GLY A 122 14.376 0.749 -10.725 1.00 0.00 C ATOM 1667 C GLY A 122 13.937 0.766 -9.276 1.00 0.00 C ATOM 1668 O GLY A 122 14.714 0.439 -8.379 1.00 0.00 O ATOM 0 H GLY A 122 12.798 0.979 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 122 15.264 0.125 -10.823 1.00 0.00 H new ATOM 0 HA3 GLY A 122 14.660 1.758 -11.025 1.00 0.00 H new ATOM 1672 N LEU A 123 12.684 1.108 -9.049 1.00 0.00 N ATOM 1673 CA LEU A 123 12.197 1.361 -7.704 1.00 0.00 C ATOM 1674 C LEU A 123 11.876 0.062 -6.974 1.00 0.00 C ATOM 1675 O LEU A 123 12.254 -0.116 -5.816 1.00 0.00 O ATOM 1676 CB LEU A 123 10.966 2.267 -7.775 1.00 0.00 C ATOM 1677 CG LEU A 123 10.594 2.999 -6.484 1.00 0.00 C ATOM 1678 CD1 LEU A 123 9.974 4.340 -6.822 1.00 0.00 C ATOM 1679 CD2 LEU A 123 9.626 2.169 -5.650 1.00 0.00 C ATOM 0 H LEU A 123 11.981 1.218 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 123 12.981 1.862 -7.135 1.00 0.00 H new ATOM 0 HB2 LEU A 123 11.131 3.010 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.113 1.663 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 123 11.499 3.155 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.709 4.861 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.689 4.940 -7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 123 9.077 4.185 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 123 9.376 2.710 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.717 1.985 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 123 10.091 1.218 -5.392 1.00 0.00 H new ATOM 1691 N ALA A 124 11.211 -0.861 -7.656 1.00 0.00 N ATOM 1692 CA ALA A 124 10.770 -2.089 -7.013 1.00 0.00 C ATOM 1693 C ALA A 124 11.912 -3.090 -6.868 1.00 0.00 C ATOM 1694 O ALA A 124 11.811 -4.039 -6.092 1.00 0.00 O ATOM 1695 CB ALA A 124 9.603 -2.708 -7.763 1.00 0.00 C ATOM 0 H ALA A 124 10.968 -0.784 -8.644 1.00 0.00 H new ATOM 0 HA ALA A 124 10.432 -1.827 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.293 -3.625 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.770 -2.006 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.908 -2.938 -8.784 1.00 0.00 H new ATOM 1701 N MET A 125 13.010 -2.886 -7.598 1.00 0.00 N ATOM 1702 CA MET A 125 14.175 -3.754 -7.439 1.00 0.00 C ATOM 1703 C MET A 125 14.792 -3.566 -6.061 1.00 0.00 C ATOM 1704 O MET A 125 15.374 -4.492 -5.502 1.00 0.00 O ATOM 1705 CB MET A 125 15.232 -3.516 -8.520 1.00 0.00 C ATOM 1706 CG MET A 125 14.952 -4.255 -9.820 1.00 0.00 C ATOM 1707 SD MET A 125 16.387 -4.323 -10.915 1.00 0.00 S ATOM 1708 CE MET A 125 16.711 -2.581 -11.189 1.00 0.00 C ATOM 0 H MET A 125 13.116 -2.144 -8.290 1.00 0.00 H new ATOM 0 HA MET A 125 13.823 -4.780 -7.546 1.00 0.00 H new ATOM 0 HB2 MET A 125 15.295 -2.447 -8.726 1.00 0.00 H new ATOM 0 HB3 MET A 125 16.205 -3.825 -8.139 1.00 0.00 H new ATOM 0 HG2 MET A 125 14.627 -5.270 -9.592 1.00 0.00 H new ATOM 0 HG3 MET A 125 14.128 -3.766 -10.340 1.00 0.00 H new ATOM 0 HE1 MET A 125 17.726 -2.455 -11.566 1.00 0.00 H new ATOM 0 HE2 MET A 125 16.001 -2.189 -11.918 1.00 0.00 H new ATOM 0 HE3 MET A 125 16.603 -2.039 -10.250 1.00 0.00 H new ATOM 1718 N LYS A 126 14.634 -2.374 -5.500 1.00 0.00 N ATOM 1719 CA LYS A 126 15.141 -2.094 -4.161 1.00 0.00 C ATOM 1720 C LYS A 126 14.403 -2.922 -3.115 1.00 0.00 C ATOM 1721 O LYS A 126 14.902 -3.137 -2.011 1.00 0.00 O ATOM 1722 CB LYS A 126 15.007 -0.613 -3.832 1.00 0.00 C ATOM 1723 CG LYS A 126 15.904 0.281 -4.659 1.00 0.00 C ATOM 1724 CD LYS A 126 16.702 1.201 -3.762 1.00 0.00 C ATOM 1725 CE LYS A 126 17.511 2.211 -4.558 1.00 0.00 C ATOM 1726 NZ LYS A 126 16.643 3.172 -5.291 1.00 0.00 N ATOM 0 H LYS A 126 14.162 -1.589 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 126 16.196 -2.366 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 126 13.971 -0.310 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 126 15.234 -0.463 -2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 126 16.580 -0.327 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 126 15.303 0.870 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 126 16.025 1.728 -3.089 1.00 0.00 H new ATOM 0 HD3 LYS A 126 17.373 0.609 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 126 18.169 2.759 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.149 1.685 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 17.237 3.863 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.056 2.656 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.028 3.670 -4.616 1.00 0.00 H new ATOM 1740 N LEU A 127 13.219 -3.393 -3.478 1.00 0.00 N ATOM 1741 CA LEU A 127 12.417 -4.215 -2.585 1.00 0.00 C ATOM 1742 C LEU A 127 12.940 -5.646 -2.565 1.00 0.00 C ATOM 1743 O LEU A 127 12.743 -6.382 -1.596 1.00 0.00 O ATOM 1744 CB LEU A 127 10.951 -4.203 -3.028 1.00 0.00 C ATOM 1745 CG LEU A 127 10.318 -2.814 -3.156 1.00 0.00 C ATOM 1746 CD1 LEU A 127 8.867 -2.929 -3.588 1.00 0.00 C ATOM 1747 CD2 LEU A 127 10.427 -2.050 -1.844 1.00 0.00 C ATOM 0 H LEU A 127 12.792 -3.219 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 127 12.488 -3.801 -1.579 1.00 0.00 H new ATOM 0 HB2 LEU A 127 10.875 -4.709 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 127 10.368 -4.786 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 127 10.862 -2.259 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 127 8.433 -1.933 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.814 -3.433 -4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 127 8.311 -3.504 -2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 127 9.971 -1.066 -1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 127 9.911 -2.601 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 127 11.477 -1.935 -1.576 1.00 0.00 H new ATOM 1759 N THR A 128 13.624 -6.032 -3.637 1.00 0.00 N ATOM 1760 CA THR A 128 14.148 -7.385 -3.756 1.00 0.00 C ATOM 1761 C THR A 128 15.437 -7.528 -2.957 1.00 0.00 C ATOM 1762 O THR A 128 15.819 -8.626 -2.552 1.00 0.00 O ATOM 1763 CB THR A 128 14.410 -7.766 -5.228 1.00 0.00 C ATOM 1764 OG1 THR A 128 15.563 -7.083 -5.738 1.00 0.00 O ATOM 1765 CG2 THR A 128 13.207 -7.429 -6.094 1.00 0.00 C ATOM 0 H THR A 128 13.827 -5.428 -4.433 1.00 0.00 H new ATOM 0 HA THR A 128 13.393 -8.062 -3.356 1.00 0.00 H new ATOM 0 HB THR A 128 14.589 -8.841 -5.261 1.00 0.00 H new ATOM 0 HG1 THR A 128 15.544 -6.147 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 128 13.414 -7.706 -7.128 1.00 0.00 H new ATOM 0 HG22 THR A 128 12.337 -7.980 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 128 13.007 -6.359 -6.038 1.00 0.00 H new ATOM 1773 N ASP A 129 16.092 -6.395 -2.741 1.00 0.00 N ATOM 1774 CA ASP A 129 17.322 -6.322 -1.954 1.00 0.00 C ATOM 1775 C ASP A 129 17.151 -7.005 -0.603 1.00 0.00 C ATOM 1776 O ASP A 129 18.018 -7.758 -0.154 1.00 0.00 O ATOM 1777 CB ASP A 129 17.704 -4.856 -1.744 1.00 0.00 C ATOM 1778 CG ASP A 129 18.969 -4.679 -0.927 1.00 0.00 C ATOM 1779 OD1 ASP A 129 20.063 -4.640 -1.523 1.00 0.00 O ATOM 1780 OD2 ASP A 129 18.870 -4.560 0.313 1.00 0.00 O ATOM 0 H ASP A 129 15.785 -5.494 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 129 18.112 -6.839 -2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 129 17.837 -4.379 -2.715 1.00 0.00 H new ATOM 0 HB3 ASP A 129 16.883 -4.341 -1.246 1.00 0.00 H new ATOM 1785 N LEU A 130 16.019 -6.738 0.031 1.00 0.00 N ATOM 1786 CA LEU A 130 15.710 -7.309 1.334 1.00 0.00 C ATOM 1787 C LEU A 130 15.684 -8.833 1.273 1.00 0.00 C ATOM 1788 O LEU A 130 16.533 -9.492 1.869 1.00 0.00 O ATOM 1789 CB LEU A 130 14.370 -6.778 1.862 1.00 0.00 C ATOM 1790 CG LEU A 130 14.365 -5.325 2.363 1.00 0.00 C ATOM 1791 CD1 LEU A 130 15.461 -5.102 3.395 1.00 0.00 C ATOM 1792 CD2 LEU A 130 14.504 -4.340 1.211 1.00 0.00 C ATOM 0 H LEU A 130 15.293 -6.124 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 130 16.499 -7.005 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 130 13.629 -6.869 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 130 14.044 -7.423 2.678 1.00 0.00 H new ATOM 0 HG LEU A 130 13.402 -5.146 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 130 15.436 -4.066 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 130 15.301 -5.766 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 130 16.432 -5.314 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 130 14.497 -3.322 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 130 15.443 -4.522 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 130 13.672 -4.470 0.519 1.00 0.00 H new ATOM 1804 N GLN A 131 14.730 -9.384 0.523 1.00 0.00 N ATOM 1805 CA GLN A 131 14.547 -10.836 0.433 1.00 0.00 C ATOM 1806 C GLN A 131 15.812 -11.548 -0.055 1.00 0.00 C ATOM 1807 O GLN A 131 16.127 -12.644 0.408 1.00 0.00 O ATOM 1808 CB GLN A 131 13.367 -11.171 -0.484 1.00 0.00 C ATOM 1809 CG GLN A 131 13.505 -10.611 -1.892 1.00 0.00 C ATOM 1810 CD GLN A 131 12.319 -10.932 -2.778 1.00 0.00 C ATOM 1811 OE1 GLN A 131 11.190 -11.060 -2.309 1.00 0.00 O ATOM 1812 NE2 GLN A 131 12.570 -11.070 -4.069 1.00 0.00 N ATOM 0 H GLN A 131 14.068 -8.845 -0.035 1.00 0.00 H new ATOM 0 HA GLN A 131 14.335 -11.197 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 131 13.261 -12.254 -0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 131 12.451 -10.785 -0.038 1.00 0.00 H new ATOM 0 HG2 GLN A 131 13.627 -9.529 -1.836 1.00 0.00 H new ATOM 0 HG3 GLN A 131 14.411 -11.011 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 131 13.521 -10.956 -4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.812 -11.291 -4.715 1.00 0.00 H new ATOM 1821 N ARG A 132 16.533 -10.920 -0.982 1.00 0.00 N ATOM 1822 CA ARG A 132 17.770 -11.488 -1.512 1.00 0.00 C ATOM 1823 C ARG A 132 18.759 -11.791 -0.394 1.00 0.00 C ATOM 1824 O ARG A 132 19.195 -12.932 -0.230 1.00 0.00 O ATOM 1825 CB ARG A 132 18.405 -10.538 -2.533 1.00 0.00 C ATOM 1826 CG ARG A 132 18.095 -10.886 -3.976 1.00 0.00 C ATOM 1827 CD ARG A 132 18.740 -12.202 -4.383 1.00 0.00 C ATOM 1828 NE ARG A 132 18.469 -12.549 -5.781 1.00 0.00 N ATOM 1829 CZ ARG A 132 19.391 -13.024 -6.624 1.00 0.00 C ATOM 1830 NH1 ARG A 132 20.654 -13.147 -6.236 1.00 0.00 N ATOM 1831 NH2 ARG A 132 19.046 -13.366 -7.857 1.00 0.00 N ATOM 0 H ARG A 132 16.281 -10.016 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 132 17.519 -12.425 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG A 132 18.061 -9.523 -2.333 1.00 0.00 H new ATOM 0 HB3 ARG A 132 19.486 -10.541 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.015 -10.951 -4.112 1.00 0.00 H new ATOM 0 HG3 ARG A 132 18.451 -10.088 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 132 19.817 -12.138 -4.230 1.00 0.00 H new ATOM 0 HD3 ARG A 132 18.373 -12.999 -3.736 1.00 0.00 H new ATOM 0 HE ARG A 132 17.520 -12.420 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 132 20.925 -12.878 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 132 21.353 -13.510 -6.884 1.00 0.00 H new ATOM 0 HH21 ARG A 132 18.078 -13.267 -8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 132 19.749 -13.729 -8.501 1.00 0.00 H new ATOM 1845 N GLN A 133 19.091 -10.776 0.390 1.00 0.00 N ATOM 1846 CA GLN A 133 20.046 -10.940 1.479 1.00 0.00 C ATOM 1847 C GLN A 133 19.406 -11.647 2.671 1.00 0.00 C ATOM 1848 O GLN A 133 20.103 -12.244 3.492 1.00 0.00 O ATOM 1849 CB GLN A 133 20.621 -9.588 1.910 1.00 0.00 C ATOM 1850 CG GLN A 133 21.796 -9.113 1.063 1.00 0.00 C ATOM 1851 CD GLN A 133 21.437 -8.877 -0.392 1.00 0.00 C ATOM 1852 OE1 GLN A 133 21.529 -9.783 -1.221 1.00 0.00 O ATOM 1853 NE2 GLN A 133 21.050 -7.654 -0.717 1.00 0.00 N ATOM 0 H GLN A 133 18.715 -9.833 0.294 1.00 0.00 H new ATOM 0 HA GLN A 133 20.862 -11.562 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 133 19.830 -8.839 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 133 20.941 -9.656 2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 133 22.189 -8.189 1.487 1.00 0.00 H new ATOM 0 HG3 GLN A 133 22.595 -9.853 1.117 1.00 0.00 H new ATOM 0 HE21 GLN A 133 20.987 -6.932 0.000 1.00 0.00 H new ATOM 0 HE22 GLN A 133 20.815 -7.434 -1.685 1.00 0.00 H new ATOM 1862 N ALA A 134 18.082 -11.581 2.759 1.00 0.00 N ATOM 1863 CA ALA A 134 17.351 -12.241 3.833 1.00 0.00 C ATOM 1864 C ALA A 134 17.469 -13.755 3.717 1.00 0.00 C ATOM 1865 O ALA A 134 17.807 -14.436 4.683 1.00 0.00 O ATOM 1866 CB ALA A 134 15.887 -11.824 3.825 1.00 0.00 C ATOM 0 H ALA A 134 17.492 -11.076 2.098 1.00 0.00 H new ATOM 0 HA ALA A 134 17.794 -11.932 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.360 -12.329 4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 134 15.815 -10.745 3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 134 15.436 -12.099 2.872 1.00 0.00 H new ATOM 1872 N ALA A 135 17.195 -14.276 2.529 1.00 0.00 N ATOM 1873 CA ALA A 135 17.280 -15.710 2.293 1.00 0.00 C ATOM 1874 C ALA A 135 18.730 -16.148 2.122 1.00 0.00 C ATOM 1875 O ALA A 135 19.107 -17.255 2.507 1.00 0.00 O ATOM 1876 CB ALA A 135 16.460 -16.094 1.070 1.00 0.00 C ATOM 0 H ALA A 135 16.913 -13.729 1.716 1.00 0.00 H new ATOM 0 HA ALA A 135 16.871 -16.224 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 135 16.533 -17.169 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 135 15.417 -15.822 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 135 16.842 -15.567 0.196 1.00 0.00 H new ATOM 1882 N GLY A 136 19.535 -15.274 1.534 1.00 0.00 N ATOM 1883 CA GLY A 136 20.940 -15.569 1.326 1.00 0.00 C ATOM 1884 C GLY A 136 21.178 -16.272 0.008 1.00 0.00 C ATOM 1885 O GLY A 136 22.231 -16.109 -0.615 1.00 0.00 O ATOM 0 H GLY A 136 19.238 -14.359 1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 136 21.514 -14.642 1.352 1.00 0.00 H new ATOM 0 HA3 GLY A 136 21.305 -16.193 2.142 1.00 0.00 H new ATOM 1889 N ARG A 137 20.193 -17.049 -0.413 1.00 0.00 N ATOM 1890 CA ARG A 137 20.223 -17.723 -1.698 1.00 0.00 C ATOM 1891 C ARG A 137 18.808 -18.090 -2.115 1.00 0.00 C ATOM 1892 O ARG A 137 18.025 -18.606 -1.315 1.00 0.00 O ATOM 1893 CB ARG A 137 21.113 -18.970 -1.651 1.00 0.00 C ATOM 1894 CG ARG A 137 20.707 -19.992 -0.601 1.00 0.00 C ATOM 1895 CD ARG A 137 21.701 -21.139 -0.535 1.00 0.00 C ATOM 1896 NE ARG A 137 21.378 -22.086 0.532 1.00 0.00 N ATOM 1897 CZ ARG A 137 22.242 -22.486 1.466 1.00 0.00 C ATOM 1898 NH1 ARG A 137 23.470 -21.976 1.508 1.00 0.00 N ATOM 1899 NH2 ARG A 137 21.871 -23.379 2.374 1.00 0.00 N ATOM 0 H ARG A 137 19.348 -17.230 0.130 1.00 0.00 H new ATOM 0 HA ARG A 137 20.650 -17.044 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 137 21.099 -19.448 -2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 137 22.141 -18.661 -1.461 1.00 0.00 H new ATOM 0 HG2 ARG A 137 20.641 -19.509 0.374 1.00 0.00 H new ATOM 0 HG3 ARG A 137 19.715 -20.380 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 137 21.715 -21.662 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 137 22.703 -20.741 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 137 20.431 -22.465 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 137 23.755 -21.275 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 137 24.127 -22.286 2.225 1.00 0.00 H new ATOM 0 HH21 ARG A 137 20.925 -23.760 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 137 22.532 -23.685 3.088 1.00 0.00 H new ATOM 1913 N ILE A 138 18.476 -17.792 -3.357 1.00 0.00 N ATOM 1914 CA ILE A 138 17.151 -18.067 -3.885 1.00 0.00 C ATOM 1915 C ILE A 138 17.244 -18.966 -5.111 1.00 0.00 C ATOM 1916 O ILE A 138 16.965 -20.165 -5.042 1.00 0.00 O ATOM 1917 CB ILE A 138 16.413 -16.756 -4.261 1.00 0.00 C ATOM 1918 CG1 ILE A 138 16.151 -15.911 -3.016 1.00 0.00 C ATOM 1919 CG2 ILE A 138 15.109 -17.050 -4.979 1.00 0.00 C ATOM 1920 CD1 ILE A 138 15.548 -14.553 -3.312 1.00 0.00 C ATOM 0 H ILE A 138 19.111 -17.356 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 138 16.584 -18.574 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 138 17.056 -16.193 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 138 15.482 -16.458 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 138 17.089 -15.772 -2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 138 14.613 -16.113 -5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 138 15.314 -17.608 -5.892 1.00 0.00 H new ATOM 0 HG23 ILE A 138 14.462 -17.640 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 138 15.391 -14.013 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 138 16.225 -13.985 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 138 14.593 -14.682 -3.821 1.00 0.00 H new ATOM 1932 N GLU A 139 17.657 -18.379 -6.220 1.00 0.00 N ATOM 1933 CA GLU A 139 17.702 -19.083 -7.484 1.00 0.00 C ATOM 1934 C GLU A 139 19.129 -19.508 -7.810 1.00 0.00 C ATOM 1935 O GLU A 139 20.089 -18.860 -7.387 1.00 0.00 O ATOM 1936 CB GLU A 139 17.120 -18.195 -8.584 1.00 0.00 C ATOM 1937 CG GLU A 139 17.882 -16.896 -8.792 1.00 0.00 C ATOM 1938 CD GLU A 139 17.222 -15.998 -9.814 1.00 0.00 C ATOM 1939 OE1 GLU A 139 17.108 -16.406 -10.987 1.00 0.00 O ATOM 1940 OE2 GLU A 139 16.808 -14.876 -9.449 1.00 0.00 O ATOM 0 H GLU A 139 17.968 -17.409 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 139 17.099 -19.989 -7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 139 17.109 -18.753 -9.520 1.00 0.00 H new ATOM 0 HB3 GLU A 139 16.084 -17.962 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 139 17.958 -16.366 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 139 18.899 -17.122 -9.113 1.00 0.00 H new ATOM 1947 N SER A 140 19.264 -20.595 -8.553 1.00 0.00 N ATOM 1948 CA SER A 140 20.566 -21.138 -8.891 1.00 0.00 C ATOM 1949 C SER A 140 20.522 -21.770 -10.281 1.00 0.00 C ATOM 1950 O SER A 140 19.464 -22.207 -10.734 1.00 0.00 O ATOM 1951 CB SER A 140 20.982 -22.173 -7.839 1.00 0.00 C ATOM 1952 OG SER A 140 22.300 -22.646 -8.065 1.00 0.00 O ATOM 0 H SER A 140 18.479 -21.121 -8.936 1.00 0.00 H new ATOM 0 HA SER A 140 21.303 -20.335 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 140 20.920 -21.728 -6.846 1.00 0.00 H new ATOM 0 HB3 SER A 140 20.286 -23.011 -7.857 1.00 0.00 H new ATOM 0 HG SER A 140 22.535 -23.303 -7.376 1.00 0.00 H new ATOM 1958 N ILE A 141 21.660 -21.799 -10.959 1.00 0.00 N ATOM 1959 CA ILE A 141 21.746 -22.388 -12.289 1.00 0.00 C ATOM 1960 C ILE A 141 22.756 -23.526 -12.293 1.00 0.00 C ATOM 1961 O ILE A 141 23.959 -23.255 -12.082 1.00 0.00 O ATOM 1962 CB ILE A 141 22.140 -21.347 -13.362 1.00 0.00 C ATOM 1963 CG1 ILE A 141 21.095 -20.231 -13.431 1.00 0.00 C ATOM 1964 CG2 ILE A 141 22.295 -22.015 -14.724 1.00 0.00 C ATOM 1965 CD1 ILE A 141 21.441 -19.133 -14.413 1.00 0.00 C ATOM 1966 OXT ILE A 141 22.346 -24.686 -12.511 1.00 0.00 O ATOM 0 H ILE A 141 22.540 -21.420 -10.609 1.00 0.00 H new ATOM 0 HA ILE A 141 20.755 -22.768 -12.538 1.00 0.00 H new ATOM 0 HB ILE A 141 23.098 -20.909 -13.082 1.00 0.00 H new ATOM 0 HG12 ILE A 141 20.133 -20.663 -13.707 1.00 0.00 H new ATOM 0 HG13 ILE A 141 20.976 -19.795 -12.439 1.00 0.00 H new ATOM 0 HG21 ILE A 141 22.572 -21.267 -15.467 1.00 0.00 H new ATOM 0 HG22 ILE A 141 23.072 -22.777 -14.669 1.00 0.00 H new ATOM 0 HG23 ILE A 141 21.351 -22.479 -15.011 1.00 0.00 H new ATOM 0 HD11 ILE A 141 20.655 -18.378 -14.407 1.00 0.00 H new ATOM 0 HD12 ILE A 141 22.387 -18.674 -14.127 1.00 0.00 H new ATOM 0 HD13 ILE A 141 21.531 -19.555 -15.414 1.00 0.00 H new TER 1978 ILE A 141