USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 747 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 97 ASN : amide:sc= 0.556 K(o=-0.21,f=-7.3!) USER MOD Set 1.2: A 101 ASN : amide:sc= -0.762 K(o=-0.21,f=-14!) USER MOD Set 2.1: A 85 LYS NZ :NH3+ -153:sc= 1.25 (180deg=0.915) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 29 ASN : amide:sc= -1.99! C(o=-0.55!,f=-7.5!) USER MOD Set 3.2: A 34 LYS NZ :NH3+ 143:sc= 1.44 (180deg=-0.835!) USER MOD Set 4.1: A 24 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.12) USER MOD Set 4.2: A 69 TYR OH : rot 180:sc= -0.099 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 163:sc= 0.257 USER MOD Single : A 10 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.0012) USER MOD Single : A 13 SER OG : rot -16:sc= 0.861 USER MOD Single : A 14 TYR OH : rot 169:sc= 0.788 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 133:sc= -2.14! USER MOD Single : A 19 SER OG : rot 170:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 42:sc= 0.515 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.827 (180deg=0.734) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 1.08 (180deg=1.07) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 44 SER OG : rot -35:sc= 0.0264 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 48 ASN : amide:sc= -0.083 K(o=-0.083,f=-5.1!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 50 ASN : amide:sc= -3.66! C(o=-3.7!,f=-2.7!) USER MOD Single : A 52 ASN : amide:sc= -3! C(o=-3!,f=-3.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 150:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.367 K(o=0.37,f=-0.3) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00469 USER MOD Single : A 73 SER OG : rot -6:sc= 1.07 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 0.98 (180deg=0.554) USER MOD Single : A 83 TYR OH : rot 132:sc= 1.43 USER MOD Single : A 86 TYR OH : rot 103:sc= 0.416 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0535 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0353 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 96 ASN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.1) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 110:sc= 0.181 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -3.624 9.564 8.669 1.00 0.00 N ATOM 44 CA PRO A 4 -2.448 8.996 9.333 1.00 0.00 C ATOM 45 C PRO A 4 -1.639 10.060 10.063 1.00 0.00 C ATOM 46 O PRO A 4 -1.345 11.130 9.516 1.00 0.00 O ATOM 47 CB PRO A 4 -1.628 8.396 8.188 1.00 0.00 C ATOM 48 CG PRO A 4 -2.149 9.044 6.949 1.00 0.00 C ATOM 49 CD PRO A 4 -3.599 9.328 7.216 1.00 0.00 C ATOM 0 HA PRO A 4 -2.726 8.265 10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -0.565 8.596 8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -1.746 7.313 8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.605 9.962 6.729 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.031 8.389 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.950 10.197 6.659 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.234 8.489 6.932 1.00 0.00 H new ATOM 57 N SER A 5 -1.273 9.753 11.295 1.00 0.00 N ATOM 58 CA SER A 5 -0.606 10.709 12.157 1.00 0.00 C ATOM 59 C SER A 5 0.906 10.525 12.095 1.00 0.00 C ATOM 60 O SER A 5 1.626 11.418 11.649 1.00 0.00 O ATOM 61 CB SER A 5 -1.112 10.563 13.596 1.00 0.00 C ATOM 62 OG SER A 5 -0.641 11.617 14.419 1.00 0.00 O ATOM 0 H SER A 5 -1.429 8.840 11.723 1.00 0.00 H new ATOM 0 HA SER A 5 -0.838 11.715 11.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.202 10.555 13.601 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.784 9.607 14.003 1.00 0.00 H new ATOM 0 HG SER A 5 -0.982 11.498 15.330 1.00 0.00 H new ATOM 68 N SER A 6 1.388 9.370 12.541 1.00 0.00 N ATOM 69 CA SER A 6 2.812 9.082 12.490 1.00 0.00 C ATOM 70 C SER A 6 3.196 8.593 11.099 1.00 0.00 C ATOM 71 O SER A 6 4.142 9.098 10.492 1.00 0.00 O ATOM 72 CB SER A 6 3.190 8.041 13.545 1.00 0.00 C ATOM 73 OG SER A 6 4.597 7.971 13.714 1.00 0.00 O ATOM 0 H SER A 6 0.816 8.625 12.939 1.00 0.00 H new ATOM 0 HA SER A 6 3.360 9.999 12.705 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.719 8.294 14.495 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.807 7.064 13.250 1.00 0.00 H new ATOM 0 HG SER A 6 4.812 7.300 14.395 1.00 0.00 H new ATOM 79 N ALA A 7 2.446 7.620 10.594 1.00 0.00 N ATOM 80 CA ALA A 7 2.660 7.082 9.274 1.00 0.00 C ATOM 81 C ALA A 7 2.383 8.126 8.202 1.00 0.00 C ATOM 82 O ALA A 7 1.574 9.037 8.393 1.00 0.00 O ATOM 83 CB ALA A 7 1.761 5.882 9.082 1.00 0.00 C ATOM 0 H ALA A 7 1.672 7.187 11.098 1.00 0.00 H new ATOM 0 HA ALA A 7 3.704 6.783 9.179 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.915 5.467 8.086 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.998 5.126 9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.720 6.186 9.191 1.00 0.00 H new ATOM 89 N SER A 8 3.065 7.990 7.077 1.00 0.00 N ATOM 90 CA SER A 8 2.894 8.907 5.963 1.00 0.00 C ATOM 91 C SER A 8 1.855 8.373 4.981 1.00 0.00 C ATOM 92 O SER A 8 1.455 9.063 4.043 1.00 0.00 O ATOM 93 CB SER A 8 4.233 9.112 5.261 1.00 0.00 C ATOM 94 OG SER A 8 5.234 9.493 6.192 1.00 0.00 O ATOM 0 H SER A 8 3.746 7.249 6.911 1.00 0.00 H new ATOM 0 HA SER A 8 2.538 9.864 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.529 8.192 4.757 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.133 9.879 4.493 1.00 0.00 H new ATOM 0 HG SER A 8 6.119 9.364 5.792 1.00 0.00 H new ATOM 100 N VAL A 9 1.419 7.142 5.203 1.00 0.00 N ATOM 101 CA VAL A 9 0.433 6.510 4.346 1.00 0.00 C ATOM 102 C VAL A 9 -0.432 5.547 5.154 1.00 0.00 C ATOM 103 O VAL A 9 0.008 5.025 6.176 1.00 0.00 O ATOM 104 CB VAL A 9 1.121 5.769 3.174 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.306 4.979 3.678 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.163 4.845 2.436 1.00 0.00 C ATOM 0 H VAL A 9 1.737 6.559 5.977 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.208 7.286 3.928 1.00 0.00 H new ATOM 0 HB VAL A 9 1.458 6.528 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.781 4.463 2.844 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.024 5.656 4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.970 4.248 4.413 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.691 4.348 1.623 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.226 4.097 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.663 5.428 2.029 1.00 0.00 H new ATOM 116 N GLN A 10 -1.666 5.352 4.709 1.00 0.00 N ATOM 117 CA GLN A 10 -2.583 4.434 5.358 1.00 0.00 C ATOM 118 C GLN A 10 -3.424 3.728 4.300 1.00 0.00 C ATOM 119 O GLN A 10 -3.652 4.269 3.216 1.00 0.00 O ATOM 120 CB GLN A 10 -3.482 5.205 6.325 1.00 0.00 C ATOM 121 CG GLN A 10 -4.379 4.325 7.180 1.00 0.00 C ATOM 122 CD GLN A 10 -5.267 5.133 8.104 1.00 0.00 C ATOM 123 OE1 GLN A 10 -6.370 4.714 8.453 1.00 0.00 O ATOM 124 NE2 GLN A 10 -4.796 6.304 8.498 1.00 0.00 N ATOM 0 H GLN A 10 -2.055 5.824 3.893 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.022 3.688 5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.856 5.811 6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.105 5.893 5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.000 3.706 6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.763 3.649 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.876 6.615 8.186 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.353 6.896 9.114 1.00 0.00 H new ATOM 133 N LEU A 11 -3.864 2.519 4.597 1.00 0.00 N ATOM 134 CA LEU A 11 -4.734 1.792 3.686 1.00 0.00 C ATOM 135 C LEU A 11 -6.149 2.331 3.782 1.00 0.00 C ATOM 136 O LEU A 11 -6.615 2.684 4.865 1.00 0.00 O ATOM 137 CB LEU A 11 -4.757 0.302 4.016 1.00 0.00 C ATOM 138 CG LEU A 11 -5.747 -0.508 3.177 1.00 0.00 C ATOM 139 CD1 LEU A 11 -5.041 -1.166 2.002 1.00 0.00 C ATOM 140 CD2 LEU A 11 -6.454 -1.537 4.042 1.00 0.00 C ATOM 0 H LEU A 11 -3.636 2.020 5.457 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.345 1.927 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.757 -0.106 3.873 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.004 0.178 5.070 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.500 0.169 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.762 -1.737 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.590 -0.399 1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.264 -1.834 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.155 -2.106 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.719 -2.214 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.996 -1.030 4.840 1.00 0.00 H new ATOM 152 N ASP A 12 -6.825 2.392 2.651 1.00 0.00 N ATOM 153 CA ASP A 12 -8.219 2.792 2.631 1.00 0.00 C ATOM 154 C ASP A 12 -9.103 1.559 2.709 1.00 0.00 C ATOM 155 O ASP A 12 -9.812 1.349 3.691 1.00 0.00 O ATOM 156 CB ASP A 12 -8.530 3.572 1.359 1.00 0.00 C ATOM 157 CG ASP A 12 -9.881 4.251 1.421 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.077 5.112 2.298 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.762 3.917 0.600 1.00 0.00 O ATOM 0 H ASP A 12 -6.433 2.170 1.736 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.414 3.434 3.490 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.756 4.322 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.504 2.896 0.505 1.00 0.00 H new ATOM 164 N SER A 13 -9.019 0.732 1.676 1.00 0.00 N ATOM 165 CA SER A 13 -9.803 -0.504 1.579 1.00 0.00 C ATOM 166 C SER A 13 -9.263 -1.381 0.472 1.00 0.00 C ATOM 167 O SER A 13 -8.620 -0.901 -0.463 1.00 0.00 O ATOM 168 CB SER A 13 -11.289 -0.212 1.303 1.00 0.00 C ATOM 169 OG SER A 13 -11.869 0.627 2.288 1.00 0.00 O ATOM 0 H SER A 13 -8.406 0.894 0.877 1.00 0.00 H new ATOM 0 HA SER A 13 -9.719 -1.017 2.537 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.388 0.259 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.839 -1.152 1.261 1.00 0.00 H new ATOM 0 HG SER A 13 -11.290 0.652 3.078 1.00 0.00 H new ATOM 175 N TYR A 14 -9.521 -2.663 0.603 1.00 0.00 N ATOM 176 CA TYR A 14 -9.132 -3.639 -0.388 1.00 0.00 C ATOM 177 C TYR A 14 -10.028 -4.861 -0.245 1.00 0.00 C ATOM 178 O TYR A 14 -10.528 -5.146 0.845 1.00 0.00 O ATOM 179 CB TYR A 14 -7.646 -4.003 -0.235 1.00 0.00 C ATOM 180 CG TYR A 14 -7.309 -4.769 1.021 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.588 -6.112 1.113 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.697 -4.156 2.095 1.00 0.00 C ATOM 183 CE1 TYR A 14 -7.277 -6.836 2.236 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.379 -4.866 3.234 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.675 -6.211 3.300 1.00 0.00 C ATOM 186 OH TYR A 14 -6.372 -6.933 4.430 1.00 0.00 O ATOM 0 H TYR A 14 -10.010 -3.059 1.406 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.255 -3.225 -1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.341 -4.595 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.058 -3.086 -0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.064 -6.609 0.281 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.463 -3.103 2.043 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.504 -7.891 2.283 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.902 -4.372 4.068 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.802 -6.395 5.019 1.00 0.00 H new ATOM 196 N ASN A 15 -10.249 -5.561 -1.335 1.00 0.00 N ATOM 197 CA ASN A 15 -11.098 -6.740 -1.317 1.00 0.00 C ATOM 198 C ASN A 15 -10.393 -7.901 -1.990 1.00 0.00 C ATOM 199 O ASN A 15 -9.478 -7.703 -2.793 1.00 0.00 O ATOM 200 CB ASN A 15 -12.444 -6.467 -2.001 1.00 0.00 C ATOM 201 CG ASN A 15 -13.319 -5.502 -1.215 1.00 0.00 C ATOM 202 OD1 ASN A 15 -14.087 -5.910 -0.342 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.219 -4.219 -1.522 1.00 0.00 N ATOM 0 H ASN A 15 -9.854 -5.337 -2.248 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.296 -6.998 -0.277 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.265 -6.060 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.977 -7.409 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.789 -3.531 -1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.572 -3.918 -2.251 1.00 0.00 H new ATOM 210 N TYR A 16 -10.819 -9.107 -1.652 1.00 0.00 N ATOM 211 CA TYR A 16 -10.173 -10.317 -2.137 1.00 0.00 C ATOM 212 C TYR A 16 -11.192 -11.373 -2.551 1.00 0.00 C ATOM 213 O TYR A 16 -12.320 -11.399 -2.056 1.00 0.00 O ATOM 214 CB TYR A 16 -9.263 -10.887 -1.052 1.00 0.00 C ATOM 215 CG TYR A 16 -7.811 -10.481 -1.157 1.00 0.00 C ATOM 216 CD1 TYR A 16 -6.964 -11.090 -2.073 1.00 0.00 C ATOM 217 CD2 TYR A 16 -7.281 -9.514 -0.316 1.00 0.00 C ATOM 218 CE1 TYR A 16 -5.633 -10.749 -2.148 1.00 0.00 C ATOM 219 CE2 TYR A 16 -5.949 -9.160 -0.391 1.00 0.00 C ATOM 220 CZ TYR A 16 -5.130 -9.784 -1.306 1.00 0.00 C ATOM 221 OH TYR A 16 -3.801 -9.450 -1.371 1.00 0.00 O ATOM 0 H TYR A 16 -11.616 -9.275 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.586 -10.051 -3.016 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.643 -10.574 -0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.324 -11.975 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.357 -11.845 -2.738 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.920 -9.031 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.987 -11.236 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.551 -8.399 0.264 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.709 -8.474 -1.381 1.00 0.00 H new ATOM 231 N ASP A 17 -10.775 -12.237 -3.467 1.00 0.00 N ATOM 232 CA ASP A 17 -11.584 -13.364 -3.917 1.00 0.00 C ATOM 233 C ASP A 17 -10.707 -14.599 -4.047 1.00 0.00 C ATOM 234 O ASP A 17 -10.337 -14.995 -5.154 1.00 0.00 O ATOM 235 CB ASP A 17 -12.245 -13.067 -5.267 1.00 0.00 C ATOM 236 CG ASP A 17 -13.386 -12.077 -5.169 1.00 0.00 C ATOM 237 OD1 ASP A 17 -14.502 -12.489 -4.781 1.00 0.00 O ATOM 238 OD2 ASP A 17 -13.180 -10.888 -5.496 1.00 0.00 O ATOM 0 H ASP A 17 -9.863 -12.177 -3.921 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.368 -13.537 -3.180 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.494 -12.678 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.617 -13.998 -5.695 1.00 0.00 H new ATOM 243 N GLY A 18 -10.361 -15.200 -2.917 1.00 0.00 N ATOM 244 CA GLY A 18 -9.381 -16.269 -2.926 1.00 0.00 C ATOM 245 C GLY A 18 -8.001 -15.695 -3.143 1.00 0.00 C ATOM 246 O GLY A 18 -7.261 -15.440 -2.192 1.00 0.00 O ATOM 0 H GLY A 18 -10.739 -14.969 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.414 -16.813 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.616 -16.984 -3.715 1.00 0.00 H new ATOM 250 N SER A 19 -7.646 -15.478 -4.396 1.00 0.00 N ATOM 251 CA SER A 19 -6.524 -14.625 -4.707 1.00 0.00 C ATOM 252 C SER A 19 -6.923 -13.642 -5.800 1.00 0.00 C ATOM 253 O SER A 19 -6.717 -13.882 -6.988 1.00 0.00 O ATOM 254 CB SER A 19 -5.339 -15.471 -5.164 1.00 0.00 C ATOM 255 OG SER A 19 -4.997 -16.442 -4.188 1.00 0.00 O ATOM 0 H SER A 19 -8.117 -15.879 -5.207 1.00 0.00 H new ATOM 0 HA SER A 19 -6.232 -14.069 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.583 -15.966 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.481 -14.827 -5.356 1.00 0.00 H new ATOM 0 HG SER A 19 -4.348 -17.071 -4.566 1.00 0.00 H new ATOM 261 N THR A 20 -7.507 -12.535 -5.379 1.00 0.00 N ATOM 262 CA THR A 20 -7.767 -11.405 -6.251 1.00 0.00 C ATOM 263 C THR A 20 -7.643 -10.132 -5.438 1.00 0.00 C ATOM 264 O THR A 20 -8.296 -9.998 -4.411 1.00 0.00 O ATOM 265 CB THR A 20 -9.166 -11.456 -6.896 1.00 0.00 C ATOM 266 OG1 THR A 20 -9.377 -12.729 -7.521 1.00 0.00 O ATOM 267 CG2 THR A 20 -9.299 -10.353 -7.933 1.00 0.00 C ATOM 0 H THR A 20 -7.816 -12.394 -4.417 1.00 0.00 H new ATOM 0 HA THR A 20 -7.038 -11.437 -7.061 1.00 0.00 H new ATOM 0 HB THR A 20 -9.915 -11.312 -6.117 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.269 -12.751 -7.926 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.290 -10.396 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.160 -9.384 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.542 -10.487 -8.706 1.00 0.00 H new ATOM 275 N PHE A 21 -6.827 -9.205 -5.879 1.00 0.00 N ATOM 276 CA PHE A 21 -6.618 -7.982 -5.127 1.00 0.00 C ATOM 277 C PHE A 21 -7.301 -6.824 -5.819 1.00 0.00 C ATOM 278 O PHE A 21 -7.208 -6.658 -7.030 1.00 0.00 O ATOM 279 CB PHE A 21 -5.127 -7.690 -4.964 1.00 0.00 C ATOM 280 CG PHE A 21 -4.829 -6.595 -3.977 1.00 0.00 C ATOM 281 CD1 PHE A 21 -4.856 -5.261 -4.346 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.537 -6.913 -2.671 1.00 0.00 C ATOM 283 CE1 PHE A 21 -4.590 -4.271 -3.420 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.272 -5.931 -1.737 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.298 -4.606 -2.113 1.00 0.00 C ATOM 0 H PHE A 21 -6.298 -9.269 -6.749 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.051 -8.112 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.620 -8.601 -4.646 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.712 -7.416 -5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.087 -4.992 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.515 -7.950 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.611 -3.233 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.045 -6.201 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.091 -3.833 -1.388 1.00 0.00 H new ATOM 295 N SER A 22 -8.008 -6.048 -5.045 1.00 0.00 N ATOM 296 CA SER A 22 -8.611 -4.821 -5.536 1.00 0.00 C ATOM 297 C SER A 22 -8.777 -3.859 -4.376 1.00 0.00 C ATOM 298 O SER A 22 -8.896 -4.301 -3.239 1.00 0.00 O ATOM 299 CB SER A 22 -9.952 -5.122 -6.217 1.00 0.00 C ATOM 300 OG SER A 22 -10.809 -5.881 -5.373 1.00 0.00 O ATOM 0 H SER A 22 -8.187 -6.239 -4.059 1.00 0.00 H new ATOM 0 HA SER A 22 -7.966 -4.360 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.442 -4.186 -6.487 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.776 -5.668 -7.144 1.00 0.00 H new ATOM 0 HG SER A 22 -11.655 -6.054 -5.836 1.00 0.00 H new ATOM 306 N GLY A 23 -8.746 -2.557 -4.629 1.00 0.00 N ATOM 307 CA GLY A 23 -8.868 -1.622 -3.528 1.00 0.00 C ATOM 308 C GLY A 23 -8.333 -0.251 -3.846 1.00 0.00 C ATOM 309 O GLY A 23 -8.353 0.180 -4.997 1.00 0.00 O ATOM 0 H GLY A 23 -8.641 -2.139 -5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.918 -1.538 -3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.337 -2.019 -2.663 1.00 0.00 H new ATOM 313 N LYS A 24 -7.870 0.435 -2.809 1.00 0.00 N ATOM 314 CA LYS A 24 -7.313 1.774 -2.936 1.00 0.00 C ATOM 315 C LYS A 24 -6.563 2.166 -1.654 1.00 0.00 C ATOM 316 O LYS A 24 -6.672 1.490 -0.625 1.00 0.00 O ATOM 317 CB LYS A 24 -8.407 2.803 -3.264 1.00 0.00 C ATOM 318 CG LYS A 24 -9.579 2.801 -2.297 1.00 0.00 C ATOM 319 CD LYS A 24 -10.662 1.823 -2.732 1.00 0.00 C ATOM 320 CE LYS A 24 -11.719 1.616 -1.658 1.00 0.00 C ATOM 321 NZ LYS A 24 -12.361 2.886 -1.230 1.00 0.00 N ATOM 0 H LYS A 24 -7.871 0.077 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.604 1.768 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.962 3.798 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.781 2.610 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.228 2.536 -1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.999 3.805 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.138 2.192 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.205 0.865 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.484 0.936 -2.033 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.262 1.135 -0.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.151 2.676 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.663 3.479 -0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.719 3.392 -2.065 1.00 0.00 H new ATOM 335 N ILE A 25 -5.817 3.263 -1.723 1.00 0.00 N ATOM 336 CA ILE A 25 -4.920 3.678 -0.641 1.00 0.00 C ATOM 337 C ILE A 25 -5.121 5.162 -0.308 1.00 0.00 C ATOM 338 O ILE A 25 -5.647 5.926 -1.122 1.00 0.00 O ATOM 339 CB ILE A 25 -3.430 3.456 -1.018 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.213 2.078 -1.641 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.535 3.608 0.206 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.773 1.831 -2.041 1.00 0.00 C ATOM 0 H ILE A 25 -5.814 3.891 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.165 3.064 0.226 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.165 4.216 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.524 1.311 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.851 1.977 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.496 3.448 -0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.648 4.611 0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.820 2.873 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.682 0.836 -2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.466 2.578 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.134 1.901 -1.161 1.00 0.00 H new ATOM 354 N TYR A 26 -4.675 5.551 0.884 1.00 0.00 N ATOM 355 CA TYR A 26 -4.810 6.912 1.386 1.00 0.00 C ATOM 356 C TYR A 26 -3.454 7.397 1.909 1.00 0.00 C ATOM 357 O TYR A 26 -3.072 7.069 3.033 1.00 0.00 O ATOM 358 CB TYR A 26 -5.824 6.896 2.532 1.00 0.00 C ATOM 359 CG TYR A 26 -6.319 8.252 2.982 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.456 9.177 3.546 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.664 8.591 2.872 1.00 0.00 C ATOM 362 CE1 TYR A 26 -5.909 10.403 3.987 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.127 9.818 3.305 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.246 10.719 3.864 1.00 0.00 C ATOM 365 OH TYR A 26 -7.702 11.938 4.305 1.00 0.00 O ATOM 0 H TYR A 26 -4.205 4.921 1.534 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.145 7.580 0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.683 6.298 2.226 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.373 6.391 3.386 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.408 8.934 3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.357 7.883 2.441 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.221 11.111 4.426 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.173 10.070 3.206 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.067 12.638 4.046 1.00 0.00 H new ATOM 375 N VAL A 27 -2.711 8.162 1.117 1.00 0.00 N ATOM 376 CA VAL A 27 -1.381 8.585 1.552 1.00 0.00 C ATOM 377 C VAL A 27 -1.272 10.104 1.660 1.00 0.00 C ATOM 378 O VAL A 27 -2.030 10.846 1.038 1.00 0.00 O ATOM 379 CB VAL A 27 -0.254 8.048 0.630 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.680 6.795 -0.102 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.230 9.093 -0.360 1.00 0.00 C ATOM 0 H VAL A 27 -2.994 8.495 0.196 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.246 8.151 2.543 1.00 0.00 H new ATOM 0 HB VAL A 27 0.580 7.799 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.136 6.450 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.931 6.019 0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.553 7.012 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.018 8.668 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.601 9.408 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.620 9.954 0.182 1.00 0.00 H new ATOM 391 N LYS A 28 -0.323 10.542 2.475 1.00 0.00 N ATOM 392 CA LYS A 28 -0.014 11.947 2.652 1.00 0.00 C ATOM 393 C LYS A 28 1.136 12.337 1.719 1.00 0.00 C ATOM 394 O LYS A 28 2.064 11.554 1.513 1.00 0.00 O ATOM 395 CB LYS A 28 0.386 12.169 4.113 1.00 0.00 C ATOM 396 CG LYS A 28 0.561 13.620 4.519 1.00 0.00 C ATOM 397 CD LYS A 28 1.012 13.725 5.972 1.00 0.00 C ATOM 398 CE LYS A 28 0.041 13.021 6.917 1.00 0.00 C ATOM 399 NZ LYS A 28 0.511 13.044 8.331 1.00 0.00 N ATOM 0 H LYS A 28 0.259 9.921 3.037 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.879 12.564 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.372 11.718 4.754 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.320 11.640 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.295 14.098 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.379 14.156 4.386 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.005 13.287 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.096 14.775 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.936 13.500 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.089 11.987 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.064 12.389 8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.508 12.752 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.417 14.007 8.712 1.00 0.00 H new ATOM 413 N ASN A 29 1.070 13.531 1.148 1.00 0.00 N ATOM 414 CA ASN A 29 2.109 13.994 0.230 1.00 0.00 C ATOM 415 C ASN A 29 3.222 14.727 0.968 1.00 0.00 C ATOM 416 O ASN A 29 3.073 15.892 1.338 1.00 0.00 O ATOM 417 CB ASN A 29 1.521 14.914 -0.846 1.00 0.00 C ATOM 418 CG ASN A 29 0.777 14.167 -1.919 1.00 0.00 C ATOM 419 OD1 ASN A 29 1.369 13.696 -2.890 1.00 0.00 O ATOM 420 ND2 ASN A 29 -0.524 14.079 -1.776 1.00 0.00 N ATOM 0 H ASN A 29 0.313 14.197 1.301 1.00 0.00 H new ATOM 0 HA ASN A 29 2.530 13.108 -0.246 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.846 15.629 -0.375 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.326 15.489 -1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.084 13.606 -2.485 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.975 14.483 -0.956 1.00 0.00 H new ATOM 427 N ILE A 30 4.331 14.035 1.194 1.00 0.00 N ATOM 428 CA ILE A 30 5.519 14.663 1.763 1.00 0.00 C ATOM 429 C ILE A 30 6.372 15.222 0.631 1.00 0.00 C ATOM 430 O ILE A 30 7.011 16.267 0.758 1.00 0.00 O ATOM 431 CB ILE A 30 6.360 13.677 2.617 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.557 13.169 3.817 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.647 14.336 3.099 1.00 0.00 C ATOM 434 CD1 ILE A 30 4.570 12.072 3.488 1.00 0.00 C ATOM 0 H ILE A 30 4.434 13.040 0.993 1.00 0.00 H new ATOM 0 HA ILE A 30 5.190 15.461 2.429 1.00 0.00 H new ATOM 0 HB ILE A 30 6.616 12.828 1.983 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.250 12.802 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.017 14.007 4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.219 13.625 3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.240 14.648 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.404 15.207 3.708 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.045 11.771 4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.850 12.438 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.103 11.215 3.076 1.00 0.00 H new ATOM 446 N ALA A 31 6.355 14.511 -0.481 1.00 0.00 N ATOM 447 CA ALA A 31 7.008 14.949 -1.698 1.00 0.00 C ATOM 448 C ALA A 31 6.119 14.610 -2.882 1.00 0.00 C ATOM 449 O ALA A 31 5.032 14.060 -2.699 1.00 0.00 O ATOM 450 CB ALA A 31 8.371 14.311 -1.845 1.00 0.00 C ATOM 0 H ALA A 31 5.885 13.609 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 31 7.161 16.027 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.838 14.658 -2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.996 14.588 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.264 13.227 -1.878 1.00 0.00 H new ATOM 456 N TYR A 32 6.567 14.920 -4.087 1.00 0.00 N ATOM 457 CA TYR A 32 5.717 14.756 -5.261 1.00 0.00 C ATOM 458 C TYR A 32 6.199 13.611 -6.143 1.00 0.00 C ATOM 459 O TYR A 32 5.469 13.137 -7.012 1.00 0.00 O ATOM 460 CB TYR A 32 5.651 16.059 -6.056 1.00 0.00 C ATOM 461 CG TYR A 32 4.462 16.143 -6.989 1.00 0.00 C ATOM 462 CD1 TYR A 32 3.182 15.885 -6.519 1.00 0.00 C ATOM 463 CD2 TYR A 32 4.612 16.493 -8.324 1.00 0.00 C ATOM 464 CE1 TYR A 32 2.084 15.973 -7.351 1.00 0.00 C ATOM 465 CE2 TYR A 32 3.519 16.581 -9.165 1.00 0.00 C ATOM 466 CZ TYR A 32 2.256 16.321 -8.672 1.00 0.00 C ATOM 467 OH TYR A 32 1.161 16.414 -9.502 1.00 0.00 O ATOM 0 H TYR A 32 7.501 15.282 -4.280 1.00 0.00 H new ATOM 0 HA TYR A 32 4.714 14.505 -4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.616 16.897 -5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.566 16.166 -6.638 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.042 15.610 -5.484 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.599 16.700 -8.711 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.095 15.770 -6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.652 16.852 -10.202 1.00 0.00 H new ATOM 0 HH TYR A 32 1.453 16.671 -10.402 1.00 0.00 H new ATOM 477 N SER A 33 7.425 13.169 -5.920 1.00 0.00 N ATOM 478 CA SER A 33 7.953 12.028 -6.644 1.00 0.00 C ATOM 479 C SER A 33 7.860 10.781 -5.772 1.00 0.00 C ATOM 480 O SER A 33 8.807 10.426 -5.066 1.00 0.00 O ATOM 481 CB SER A 33 9.402 12.288 -7.049 1.00 0.00 C ATOM 482 OG SER A 33 9.549 13.596 -7.582 1.00 0.00 O ATOM 0 H SER A 33 8.070 13.582 -5.246 1.00 0.00 H new ATOM 0 HA SER A 33 7.365 11.872 -7.548 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.054 12.168 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.715 11.551 -7.789 1.00 0.00 H new ATOM 0 HG SER A 33 10.485 13.743 -7.834 1.00 0.00 H new ATOM 488 N LYS A 34 6.706 10.137 -5.811 1.00 0.00 N ATOM 489 CA LYS A 34 6.427 9.014 -4.950 1.00 0.00 C ATOM 490 C LYS A 34 6.367 7.726 -5.750 1.00 0.00 C ATOM 491 O LYS A 34 6.075 7.736 -6.950 1.00 0.00 O ATOM 492 CB LYS A 34 5.077 9.248 -4.279 1.00 0.00 C ATOM 493 CG LYS A 34 4.988 10.562 -3.545 1.00 0.00 C ATOM 494 CD LYS A 34 3.589 11.150 -3.618 1.00 0.00 C ATOM 495 CE LYS A 34 3.273 11.578 -5.043 1.00 0.00 C ATOM 496 NZ LYS A 34 1.957 12.249 -5.167 1.00 0.00 N ATOM 0 H LYS A 34 5.942 10.382 -6.441 1.00 0.00 H new ATOM 0 HA LYS A 34 7.220 8.924 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.293 9.210 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.883 8.436 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.268 10.416 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 34 5.702 11.267 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.859 10.414 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.511 12.006 -2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.053 12.252 -5.396 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.291 10.703 -5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.023 13.017 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.244 11.559 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.680 12.642 -4.245 1.00 0.00 H new ATOM 510 N LYS A 35 6.656 6.625 -5.093 1.00 0.00 N ATOM 511 CA LYS A 35 6.352 5.324 -5.643 1.00 0.00 C ATOM 512 C LYS A 35 5.637 4.528 -4.572 1.00 0.00 C ATOM 513 O LYS A 35 6.079 4.480 -3.421 1.00 0.00 O ATOM 514 CB LYS A 35 7.607 4.579 -6.130 1.00 0.00 C ATOM 515 CG LYS A 35 8.518 4.106 -5.015 1.00 0.00 C ATOM 516 CD LYS A 35 9.585 3.148 -5.513 1.00 0.00 C ATOM 517 CE LYS A 35 10.618 3.845 -6.378 1.00 0.00 C ATOM 518 NZ LYS A 35 11.770 2.954 -6.664 1.00 0.00 N ATOM 0 H LYS A 35 7.102 6.605 -4.176 1.00 0.00 H new ATOM 0 HA LYS A 35 5.721 5.449 -6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.298 3.718 -6.722 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.172 5.235 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.995 4.968 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.922 3.615 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.081 2.683 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.115 2.347 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.158 4.161 -7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.968 4.746 -5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.427 3.433 -7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.263 2.728 -5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.429 2.076 -7.104 1.00 0.00 H new ATOM 532 N VAL A 36 4.511 3.950 -4.921 1.00 0.00 N ATOM 533 CA VAL A 36 3.744 3.212 -3.952 1.00 0.00 C ATOM 534 C VAL A 36 3.616 1.781 -4.394 1.00 0.00 C ATOM 535 O VAL A 36 3.025 1.473 -5.431 1.00 0.00 O ATOM 536 CB VAL A 36 2.364 3.834 -3.704 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.585 3.011 -2.719 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.526 5.230 -3.153 1.00 0.00 C ATOM 0 H VAL A 36 4.111 3.977 -5.859 1.00 0.00 H new ATOM 0 HA VAL A 36 4.277 3.252 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 36 1.826 3.866 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.609 3.467 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.453 2.003 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.127 2.965 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.544 5.668 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.077 5.189 -2.214 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.074 5.842 -3.869 1.00 0.00 H new ATOM 548 N THR A 37 4.194 0.916 -3.602 1.00 0.00 N ATOM 549 CA THR A 37 4.345 -0.463 -3.969 1.00 0.00 C ATOM 550 C THR A 37 3.899 -1.362 -2.839 1.00 0.00 C ATOM 551 O THR A 37 4.490 -1.363 -1.760 1.00 0.00 O ATOM 552 CB THR A 37 5.808 -0.751 -4.341 1.00 0.00 C ATOM 553 OG1 THR A 37 6.687 -0.148 -3.384 1.00 0.00 O ATOM 554 CG2 THR A 37 6.108 -0.210 -5.725 1.00 0.00 C ATOM 0 H THR A 37 4.573 1.150 -2.684 1.00 0.00 H new ATOM 0 HA THR A 37 3.717 -0.667 -4.836 1.00 0.00 H new ATOM 0 HB THR A 37 5.965 -1.830 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.617 -0.338 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.147 -0.419 -5.980 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.453 -0.689 -6.453 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.940 0.867 -5.739 1.00 0.00 H new ATOM 562 N VAL A 38 2.834 -2.093 -3.074 1.00 0.00 N ATOM 563 CA VAL A 38 2.362 -3.048 -2.096 1.00 0.00 C ATOM 564 C VAL A 38 3.191 -4.294 -2.178 1.00 0.00 C ATOM 565 O VAL A 38 3.328 -4.903 -3.237 1.00 0.00 O ATOM 566 CB VAL A 38 0.888 -3.412 -2.282 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.482 -4.604 -1.417 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.025 -2.232 -1.951 1.00 0.00 C ATOM 0 H VAL A 38 2.280 -2.046 -3.929 1.00 0.00 H new ATOM 0 HA VAL A 38 2.459 -2.579 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 38 0.748 -3.693 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.572 -4.829 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.084 -5.471 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.644 -4.363 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.023 -2.499 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.194 -1.937 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.276 -1.401 -2.611 1.00 0.00 H new ATOM 578 N VAL A 39 3.733 -4.665 -1.059 1.00 0.00 N ATOM 579 CA VAL A 39 4.613 -5.812 -1.004 1.00 0.00 C ATOM 580 C VAL A 39 4.074 -6.827 -0.023 1.00 0.00 C ATOM 581 O VAL A 39 3.855 -6.532 1.153 1.00 0.00 O ATOM 582 CB VAL A 39 6.070 -5.417 -0.673 1.00 0.00 C ATOM 583 CG1 VAL A 39 6.640 -4.591 -1.808 1.00 0.00 C ATOM 584 CG2 VAL A 39 6.159 -4.652 0.637 1.00 0.00 C ATOM 0 H VAL A 39 3.587 -4.195 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 39 4.640 -6.264 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 39 6.655 -6.330 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.668 -4.312 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.622 -5.175 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.041 -3.690 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.198 -4.391 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.564 -3.742 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.779 -5.273 1.448 1.00 0.00 H new ATOM 594 N TYR A 40 3.816 -8.013 -0.524 1.00 0.00 N ATOM 595 CA TYR A 40 3.136 -9.012 0.271 1.00 0.00 C ATOM 596 C TYR A 40 3.918 -10.299 0.323 1.00 0.00 C ATOM 597 O TYR A 40 4.605 -10.640 -0.614 1.00 0.00 O ATOM 598 CB TYR A 40 1.723 -9.271 -0.275 1.00 0.00 C ATOM 599 CG TYR A 40 1.636 -9.962 -1.628 1.00 0.00 C ATOM 600 CD1 TYR A 40 1.921 -11.310 -1.768 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.234 -9.269 -2.755 1.00 0.00 C ATOM 602 CE1 TYR A 40 1.818 -11.942 -2.987 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.120 -9.894 -3.983 1.00 0.00 C ATOM 604 CZ TYR A 40 1.415 -11.234 -4.092 1.00 0.00 C ATOM 605 OH TYR A 40 1.302 -11.876 -5.302 1.00 0.00 O ATOM 0 H TYR A 40 4.063 -8.309 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 40 3.055 -8.625 1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.181 -9.875 0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.204 -8.315 -0.346 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.231 -11.877 -0.903 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.004 -8.217 -2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.054 -12.992 -3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.802 -9.335 -4.850 1.00 0.00 H new ATOM 0 HH TYR A 40 1.005 -11.238 -5.984 1.00 0.00 H new ATOM 615 N ALA A 41 3.809 -11.008 1.427 1.00 0.00 N ATOM 616 CA ALA A 41 4.356 -12.334 1.498 1.00 0.00 C ATOM 617 C ALA A 41 3.485 -13.210 0.665 1.00 0.00 C ATOM 618 O ALA A 41 2.376 -13.576 1.075 1.00 0.00 O ATOM 619 CB ALA A 41 4.408 -12.885 2.908 1.00 0.00 C ATOM 0 H ALA A 41 3.349 -10.686 2.278 1.00 0.00 H new ATOM 0 HA ALA A 41 5.386 -12.303 1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.831 -13.889 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.030 -12.240 3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.400 -12.923 3.321 1.00 0.00 H new ATOM 625 N ASP A 42 3.949 -13.411 -0.539 1.00 0.00 N ATOM 626 CA ASP A 42 3.363 -14.384 -1.470 1.00 0.00 C ATOM 627 C ASP A 42 3.148 -15.759 -0.812 1.00 0.00 C ATOM 628 O ASP A 42 3.458 -15.950 0.363 1.00 0.00 O ATOM 629 CB ASP A 42 4.262 -14.548 -2.700 1.00 0.00 C ATOM 630 CG ASP A 42 5.379 -15.551 -2.479 1.00 0.00 C ATOM 631 OD1 ASP A 42 6.319 -15.261 -1.711 1.00 0.00 O ATOM 632 OD2 ASP A 42 5.301 -16.650 -3.063 1.00 0.00 O ATOM 0 H ASP A 42 4.750 -12.908 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 42 2.389 -13.995 -1.768 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.656 -14.866 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.693 -13.582 -2.961 1.00 0.00 H new ATOM 637 N GLY A 43 2.649 -16.726 -1.574 1.00 0.00 N ATOM 638 CA GLY A 43 2.395 -18.050 -1.021 1.00 0.00 C ATOM 639 C GLY A 43 3.644 -18.700 -0.437 1.00 0.00 C ATOM 640 O GLY A 43 3.555 -19.585 0.419 1.00 0.00 O ATOM 0 H GLY A 43 2.416 -16.621 -2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.634 -17.974 -0.244 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.989 -18.692 -1.802 1.00 0.00 H new ATOM 644 N SER A 44 4.806 -18.257 -0.897 1.00 0.00 N ATOM 645 CA SER A 44 6.076 -18.786 -0.433 1.00 0.00 C ATOM 646 C SER A 44 6.549 -18.073 0.834 1.00 0.00 C ATOM 647 O SER A 44 7.454 -18.553 1.523 1.00 0.00 O ATOM 648 CB SER A 44 7.125 -18.617 -1.525 1.00 0.00 C ATOM 649 OG SER A 44 8.324 -19.317 -1.221 1.00 0.00 O ATOM 0 H SER A 44 4.892 -17.523 -1.600 1.00 0.00 H new ATOM 0 HA SER A 44 5.938 -19.842 -0.200 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.724 -18.978 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.346 -17.558 -1.655 1.00 0.00 H new ATOM 0 HG SER A 44 8.482 -19.290 -0.254 1.00 0.00 H new ATOM 655 N ASP A 45 5.942 -16.918 1.114 1.00 0.00 N ATOM 656 CA ASP A 45 6.288 -16.100 2.279 1.00 0.00 C ATOM 657 C ASP A 45 7.674 -15.519 2.096 1.00 0.00 C ATOM 658 O ASP A 45 8.397 -15.282 3.064 1.00 0.00 O ATOM 659 CB ASP A 45 6.237 -16.903 3.592 1.00 0.00 C ATOM 660 CG ASP A 45 4.846 -17.374 3.968 1.00 0.00 C ATOM 661 OD1 ASP A 45 4.352 -18.341 3.348 1.00 0.00 O ATOM 662 OD2 ASP A 45 4.263 -16.814 4.919 1.00 0.00 O ATOM 0 H ASP A 45 5.197 -16.523 0.540 1.00 0.00 H new ATOM 0 HA ASP A 45 5.548 -15.303 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.892 -17.770 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 45 6.632 -16.287 4.399 1.00 0.00 H new ATOM 667 N ASN A 46 8.040 -15.286 0.847 1.00 0.00 N ATOM 668 CA ASN A 46 9.389 -14.858 0.524 1.00 0.00 C ATOM 669 C ASN A 46 9.425 -13.394 0.138 1.00 0.00 C ATOM 670 O ASN A 46 9.108 -13.028 -0.991 1.00 0.00 O ATOM 671 CB ASN A 46 9.977 -15.711 -0.608 1.00 0.00 C ATOM 672 CG ASN A 46 11.343 -15.217 -1.070 1.00 0.00 C ATOM 673 OD1 ASN A 46 11.448 -14.406 -1.990 1.00 0.00 O ATOM 674 ND2 ASN A 46 12.400 -15.700 -0.436 1.00 0.00 N ATOM 0 H ASN A 46 7.422 -15.386 0.041 1.00 0.00 H new ATOM 0 HA ASN A 46 9.996 -14.993 1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.064 -16.744 -0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 46 9.289 -15.708 -1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.337 -15.401 -0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.277 -16.371 0.322 1.00 0.00 H new ATOM 681 N TRP A 47 9.799 -12.551 1.081 1.00 0.00 N ATOM 682 CA TRP A 47 10.096 -11.179 0.752 1.00 0.00 C ATOM 683 C TRP A 47 11.578 -11.086 0.437 1.00 0.00 C ATOM 684 O TRP A 47 12.432 -11.285 1.308 1.00 0.00 O ATOM 685 CB TRP A 47 9.771 -10.191 1.875 1.00 0.00 C ATOM 686 CG TRP A 47 8.730 -10.634 2.837 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.855 -11.635 3.740 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.429 -10.074 3.019 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.709 -11.741 4.487 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.817 -10.793 4.059 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.717 -9.039 2.407 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.532 -10.506 4.497 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.447 -8.767 2.836 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.864 -9.494 3.872 1.00 0.00 C ATOM 0 H TRP A 47 9.902 -12.791 2.067 1.00 0.00 H new ATOM 0 HA TRP A 47 9.469 -10.904 -0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.687 -9.983 2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.449 -9.251 1.426 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.729 -12.259 3.855 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.548 -12.414 5.237 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.162 -8.464 1.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.078 -11.063 5.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.886 -7.974 2.363 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.860 -9.251 4.187 1.00 0.00 H new ATOM 705 N ASN A 48 11.858 -10.852 -0.821 1.00 0.00 N ATOM 706 CA ASN A 48 13.204 -10.533 -1.300 1.00 0.00 C ATOM 707 C ASN A 48 13.592 -9.170 -0.729 1.00 0.00 C ATOM 708 O ASN A 48 13.318 -8.881 0.436 1.00 0.00 O ATOM 709 CB ASN A 48 13.174 -10.502 -2.839 1.00 0.00 C ATOM 710 CG ASN A 48 14.543 -10.671 -3.480 1.00 0.00 C ATOM 711 OD1 ASN A 48 15.558 -10.243 -2.937 1.00 0.00 O ATOM 712 ND2 ASN A 48 14.577 -11.306 -4.641 1.00 0.00 N ATOM 0 H ASN A 48 11.156 -10.875 -1.561 1.00 0.00 H new ATOM 0 HA ASN A 48 13.936 -11.275 -0.981 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.515 -11.293 -3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.743 -9.556 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.468 -11.454 -5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.712 -11.647 -5.061 1.00 0.00 H new ATOM 719 N ASN A 49 14.242 -8.334 -1.517 1.00 0.00 N ATOM 720 CA ASN A 49 14.221 -6.912 -1.216 1.00 0.00 C ATOM 721 C ASN A 49 12.750 -6.543 -1.144 1.00 0.00 C ATOM 722 O ASN A 49 12.290 -5.871 -0.223 1.00 0.00 O ATOM 723 CB ASN A 49 14.939 -6.094 -2.290 1.00 0.00 C ATOM 724 CG ASN A 49 14.982 -4.616 -1.948 1.00 0.00 C ATOM 725 OD1 ASN A 49 14.078 -3.859 -2.295 1.00 0.00 O ATOM 726 ND2 ASN A 49 16.037 -4.198 -1.268 1.00 0.00 N ATOM 0 H ASN A 49 14.775 -8.601 -2.345 1.00 0.00 H new ATOM 0 HA ASN A 49 14.745 -6.696 -0.285 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.956 -6.468 -2.410 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.434 -6.230 -3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.122 -3.214 -1.012 1.00 0.00 H new ATOM 0 HD22 ASN A 49 16.765 -4.860 -0.999 1.00 0.00 H new ATOM 733 N ASN A 50 12.032 -7.040 -2.148 1.00 0.00 N ATOM 734 CA ASN A 50 10.589 -7.215 -2.093 1.00 0.00 C ATOM 735 C ASN A 50 10.244 -8.553 -2.718 1.00 0.00 C ATOM 736 O ASN A 50 9.666 -9.428 -2.080 1.00 0.00 O ATOM 737 CB ASN A 50 9.841 -6.146 -2.866 1.00 0.00 C ATOM 738 CG ASN A 50 9.939 -4.753 -2.261 1.00 0.00 C ATOM 739 OD1 ASN A 50 9.980 -3.755 -2.978 1.00 0.00 O ATOM 740 ND2 ASN A 50 9.948 -4.671 -0.939 1.00 0.00 N ATOM 0 H ASN A 50 12.445 -7.335 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 50 10.293 -7.153 -1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.226 -6.115 -3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.790 -6.429 -2.930 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.990 -3.759 -0.485 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.913 -5.520 -0.375 1.00 0.00 H new ATOM 747 N GLY A 51 10.627 -8.699 -3.986 1.00 0.00 N ATOM 748 CA GLY A 51 10.375 -9.920 -4.730 1.00 0.00 C ATOM 749 C GLY A 51 8.974 -9.963 -5.298 1.00 0.00 C ATOM 750 O GLY A 51 8.775 -10.197 -6.489 1.00 0.00 O ATOM 0 H GLY A 51 11.116 -7.978 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.097 -10.005 -5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.527 -10.779 -4.077 1.00 0.00 H new ATOM 754 N ASN A 52 8.011 -9.714 -4.436 1.00 0.00 N ATOM 755 CA ASN A 52 6.602 -9.767 -4.791 1.00 0.00 C ATOM 756 C ASN A 52 5.918 -8.439 -4.485 1.00 0.00 C ATOM 757 O ASN A 52 5.654 -8.104 -3.325 1.00 0.00 O ATOM 758 CB ASN A 52 5.925 -10.918 -4.041 1.00 0.00 C ATOM 759 CG ASN A 52 6.458 -11.106 -2.625 1.00 0.00 C ATOM 760 OD1 ASN A 52 6.536 -12.226 -2.132 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.799 -10.011 -1.947 1.00 0.00 N ATOM 0 H ASN A 52 8.181 -9.467 -3.461 1.00 0.00 H new ATOM 0 HA ASN A 52 6.512 -9.946 -5.862 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.852 -10.733 -3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.067 -11.842 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.137 -10.090 -0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.722 -9.094 -2.387 1.00 0.00 H new ATOM 768 N ILE A 53 5.635 -7.684 -5.528 1.00 0.00 N ATOM 769 CA ILE A 53 5.102 -6.346 -5.366 1.00 0.00 C ATOM 770 C ILE A 53 3.991 -6.052 -6.367 1.00 0.00 C ATOM 771 O ILE A 53 4.045 -6.476 -7.525 1.00 0.00 O ATOM 772 CB ILE A 53 6.236 -5.287 -5.486 1.00 0.00 C ATOM 773 CG1 ILE A 53 5.688 -3.853 -5.564 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.128 -5.576 -6.683 1.00 0.00 C ATOM 775 CD1 ILE A 53 5.471 -3.335 -6.979 1.00 0.00 C ATOM 0 H ILE A 53 5.765 -7.974 -6.497 1.00 0.00 H new ATOM 0 HA ILE A 53 4.668 -6.287 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 53 6.832 -5.362 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.741 -3.810 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.378 -3.185 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.912 -4.821 -6.743 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.581 -6.561 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 53 6.532 -5.553 -7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.083 -2.317 -6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.418 -3.341 -7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.756 -3.975 -7.495 1.00 0.00 H new ATOM 787 N ILE A 54 2.979 -5.339 -5.897 1.00 0.00 N ATOM 788 CA ILE A 54 1.949 -4.805 -6.764 1.00 0.00 C ATOM 789 C ILE A 54 2.016 -3.277 -6.720 1.00 0.00 C ATOM 790 O ILE A 54 1.903 -2.662 -5.654 1.00 0.00 O ATOM 791 CB ILE A 54 0.526 -5.319 -6.382 1.00 0.00 C ATOM 792 CG1 ILE A 54 -0.461 -5.048 -7.516 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.011 -4.716 -5.084 1.00 0.00 C ATOM 794 CD1 ILE A 54 -0.231 -5.922 -8.727 1.00 0.00 C ATOM 0 H ILE A 54 2.852 -5.117 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 54 2.132 -5.155 -7.780 1.00 0.00 H new ATOM 0 HB ILE A 54 0.613 -6.394 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.476 -5.204 -7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.386 -4.002 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.982 -5.110 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.688 -4.974 -4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.042 -3.632 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.965 -5.679 -9.495 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.772 -5.748 -9.116 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.334 -6.970 -8.444 1.00 0.00 H new ATOM 806 N ALA A 55 2.280 -2.662 -7.861 1.00 0.00 N ATOM 807 CA ALA A 55 2.423 -1.215 -7.903 1.00 0.00 C ATOM 808 C ALA A 55 1.060 -0.544 -7.880 1.00 0.00 C ATOM 809 O ALA A 55 0.132 -0.977 -8.566 1.00 0.00 O ATOM 810 CB ALA A 55 3.212 -0.780 -9.127 1.00 0.00 C ATOM 0 H ALA A 55 2.398 -3.133 -8.758 1.00 0.00 H new ATOM 0 HA ALA A 55 2.977 -0.904 -7.017 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.304 0.306 -9.134 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.205 -1.228 -9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.693 -1.106 -10.029 1.00 0.00 H new ATOM 816 N ALA A 56 0.942 0.500 -7.082 1.00 0.00 N ATOM 817 CA ALA A 56 -0.306 1.228 -6.965 1.00 0.00 C ATOM 818 C ALA A 56 -0.501 2.153 -8.156 1.00 0.00 C ATOM 819 O ALA A 56 0.469 2.622 -8.761 1.00 0.00 O ATOM 820 CB ALA A 56 -0.342 2.008 -5.658 1.00 0.00 C ATOM 0 H ALA A 56 1.699 0.864 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.127 0.512 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.285 2.550 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.253 1.317 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.486 2.716 -5.634 1.00 0.00 H new ATOM 826 N SER A 57 -1.751 2.403 -8.498 1.00 0.00 N ATOM 827 CA SER A 57 -2.081 3.272 -9.599 1.00 0.00 C ATOM 828 C SER A 57 -2.643 4.562 -9.038 1.00 0.00 C ATOM 829 O SER A 57 -3.504 4.542 -8.161 1.00 0.00 O ATOM 830 CB SER A 57 -3.103 2.599 -10.519 1.00 0.00 C ATOM 831 OG SER A 57 -3.169 3.246 -11.777 1.00 0.00 O ATOM 0 H SER A 57 -2.560 2.008 -8.019 1.00 0.00 H new ATOM 0 HA SER A 57 -1.188 3.483 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.834 1.552 -10.660 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.086 2.615 -10.048 1.00 0.00 H new ATOM 0 HG SER A 57 -3.828 2.793 -12.343 1.00 0.00 H new ATOM 837 N PHE A 58 -2.140 5.676 -9.520 1.00 0.00 N ATOM 838 CA PHE A 58 -2.563 6.962 -9.024 1.00 0.00 C ATOM 839 C PHE A 58 -3.981 7.261 -9.473 1.00 0.00 C ATOM 840 O PHE A 58 -4.355 7.010 -10.620 1.00 0.00 O ATOM 841 CB PHE A 58 -1.655 8.097 -9.501 1.00 0.00 C ATOM 842 CG PHE A 58 -0.188 7.935 -9.185 1.00 0.00 C ATOM 843 CD1 PHE A 58 0.557 6.916 -9.761 1.00 0.00 C ATOM 844 CD2 PHE A 58 0.450 8.819 -8.327 1.00 0.00 C ATOM 845 CE1 PHE A 58 1.903 6.778 -9.485 1.00 0.00 C ATOM 846 CE2 PHE A 58 1.799 8.688 -8.050 1.00 0.00 C ATOM 847 CZ PHE A 58 2.525 7.665 -8.629 1.00 0.00 C ATOM 0 H PHE A 58 -1.436 5.715 -10.257 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.508 6.908 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.767 8.198 -10.581 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.004 9.029 -9.056 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.078 6.221 -10.435 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.113 9.619 -7.870 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.468 5.977 -9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.284 9.384 -7.382 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.578 7.559 -8.412 1.00 0.00 H new ATOM 857 N SER A 59 -4.758 7.798 -8.564 1.00 0.00 N ATOM 858 CA SER A 59 -6.098 8.251 -8.873 1.00 0.00 C ATOM 859 C SER A 59 -6.091 9.770 -8.899 1.00 0.00 C ATOM 860 O SER A 59 -6.668 10.397 -9.785 1.00 0.00 O ATOM 861 CB SER A 59 -7.102 7.721 -7.840 1.00 0.00 C ATOM 862 OG SER A 59 -8.413 8.198 -8.096 1.00 0.00 O ATOM 0 H SER A 59 -4.483 7.934 -7.591 1.00 0.00 H new ATOM 0 HA SER A 59 -6.407 7.869 -9.846 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.101 6.631 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.792 8.025 -6.840 1.00 0.00 H new ATOM 0 HG SER A 59 -9.068 7.537 -7.788 1.00 0.00 H new ATOM 868 N GLY A 60 -5.417 10.355 -7.920 1.00 0.00 N ATOM 869 CA GLY A 60 -5.215 11.785 -7.911 1.00 0.00 C ATOM 870 C GLY A 60 -5.200 12.331 -6.509 1.00 0.00 C ATOM 871 O GLY A 60 -5.586 11.629 -5.576 1.00 0.00 O ATOM 0 H GLY A 60 -5.005 9.860 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.273 12.024 -8.406 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.007 12.269 -8.483 1.00 0.00 H new ATOM 875 N PRO A 61 -4.734 13.568 -6.317 1.00 0.00 N ATOM 876 CA PRO A 61 -4.761 14.215 -5.010 1.00 0.00 C ATOM 877 C PRO A 61 -6.189 14.345 -4.501 1.00 0.00 C ATOM 878 O PRO A 61 -7.096 14.703 -5.255 1.00 0.00 O ATOM 879 CB PRO A 61 -4.147 15.595 -5.267 1.00 0.00 C ATOM 880 CG PRO A 61 -3.387 15.445 -6.540 1.00 0.00 C ATOM 881 CD PRO A 61 -4.140 14.430 -7.349 1.00 0.00 C ATOM 0 HA PRO A 61 -4.220 13.650 -4.251 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.918 16.360 -5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.492 15.895 -4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.320 16.395 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.366 15.114 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.901 14.895 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.480 13.871 -8.012 1.00 0.00 H new ATOM 889 N ILE A 62 -6.386 14.030 -3.233 1.00 0.00 N ATOM 890 CA ILE A 62 -7.701 14.107 -2.627 1.00 0.00 C ATOM 891 C ILE A 62 -8.120 15.567 -2.530 1.00 0.00 C ATOM 892 O ILE A 62 -7.554 16.334 -1.749 1.00 0.00 O ATOM 893 CB ILE A 62 -7.715 13.435 -1.235 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.180 12.004 -1.344 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.122 13.428 -0.654 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.090 11.280 -0.022 1.00 0.00 C ATOM 0 H ILE A 62 -5.648 13.717 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.413 13.568 -3.252 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.073 14.007 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -7.825 11.436 -2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.190 12.031 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.109 12.950 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.479 14.453 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.787 12.876 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.703 10.274 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.421 11.823 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.081 11.219 0.428 1.00 0.00 H new ATOM 908 N SER A 63 -9.091 15.937 -3.360 1.00 0.00 N ATOM 909 CA SER A 63 -9.493 17.324 -3.538 1.00 0.00 C ATOM 910 C SER A 63 -9.806 18.009 -2.211 1.00 0.00 C ATOM 911 O SER A 63 -10.718 17.608 -1.485 1.00 0.00 O ATOM 912 CB SER A 63 -10.707 17.395 -4.459 1.00 0.00 C ATOM 913 OG SER A 63 -10.458 16.721 -5.686 1.00 0.00 O ATOM 0 H SER A 63 -9.622 15.278 -3.930 1.00 0.00 H new ATOM 0 HA SER A 63 -8.654 17.854 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.570 16.949 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.957 18.437 -4.657 1.00 0.00 H new ATOM 0 HG SER A 63 -11.252 16.779 -6.258 1.00 0.00 H new ATOM 919 N GLY A 64 -9.034 19.039 -1.904 1.00 0.00 N ATOM 920 CA GLY A 64 -9.257 19.807 -0.700 1.00 0.00 C ATOM 921 C GLY A 64 -8.271 19.462 0.396 1.00 0.00 C ATOM 922 O GLY A 64 -8.358 19.989 1.504 1.00 0.00 O ATOM 0 H GLY A 64 -8.250 19.358 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.182 20.870 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.271 19.630 -0.342 1.00 0.00 H new ATOM 926 N SER A 65 -7.336 18.574 0.097 1.00 0.00 N ATOM 927 CA SER A 65 -6.343 18.155 1.072 1.00 0.00 C ATOM 928 C SER A 65 -5.009 17.843 0.405 1.00 0.00 C ATOM 929 O SER A 65 -4.907 17.781 -0.822 1.00 0.00 O ATOM 930 CB SER A 65 -6.841 16.922 1.819 1.00 0.00 C ATOM 931 OG SER A 65 -8.037 17.201 2.523 1.00 0.00 O ATOM 0 H SER A 65 -7.244 18.129 -0.816 1.00 0.00 H new ATOM 0 HA SER A 65 -6.191 18.976 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.012 16.110 1.113 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.076 16.582 2.517 1.00 0.00 H new ATOM 0 HG SER A 65 -8.336 16.394 2.992 1.00 0.00 H new ATOM 937 N ASN A 66 -3.996 17.639 1.233 1.00 0.00 N ATOM 938 CA ASN A 66 -2.653 17.326 0.763 1.00 0.00 C ATOM 939 C ASN A 66 -2.447 15.812 0.782 1.00 0.00 C ATOM 940 O ASN A 66 -1.329 15.300 0.773 1.00 0.00 O ATOM 941 CB ASN A 66 -1.619 18.054 1.638 1.00 0.00 C ATOM 942 CG ASN A 66 -0.189 17.905 1.148 1.00 0.00 C ATOM 943 OD1 ASN A 66 0.234 18.589 0.219 1.00 0.00 O ATOM 944 ND2 ASN A 66 0.575 17.043 1.801 1.00 0.00 N ATOM 0 H ASN A 66 -4.080 17.685 2.248 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.523 17.669 -0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.871 19.114 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.686 17.673 2.657 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.554 16.928 1.538 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.185 16.494 2.567 1.00 0.00 H new ATOM 951 N TYR A 67 -3.557 15.099 0.799 1.00 0.00 N ATOM 952 CA TYR A 67 -3.546 13.648 0.776 1.00 0.00 C ATOM 953 C TYR A 67 -3.835 13.188 -0.645 1.00 0.00 C ATOM 954 O TYR A 67 -4.400 13.942 -1.433 1.00 0.00 O ATOM 955 CB TYR A 67 -4.595 13.112 1.758 1.00 0.00 C ATOM 956 CG TYR A 67 -4.583 13.850 3.081 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.436 13.896 3.852 1.00 0.00 C ATOM 958 CD2 TYR A 67 -5.703 14.521 3.540 1.00 0.00 C ATOM 959 CE1 TYR A 67 -3.395 14.588 5.041 1.00 0.00 C ATOM 960 CE2 TYR A 67 -5.679 15.216 4.734 1.00 0.00 C ATOM 961 CZ TYR A 67 -4.521 15.250 5.480 1.00 0.00 C ATOM 962 OH TYR A 67 -4.487 15.951 6.666 1.00 0.00 O ATOM 0 H TYR A 67 -4.491 15.508 0.829 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.573 13.264 1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.585 13.195 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.413 12.052 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.552 13.377 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.611 14.501 2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.487 14.612 5.626 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.563 15.730 5.081 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.362 16.360 6.829 1.00 0.00 H new ATOM 972 N GLU A 68 -3.431 11.980 -0.991 1.00 0.00 N ATOM 973 CA GLU A 68 -3.584 11.506 -2.356 1.00 0.00 C ATOM 974 C GLU A 68 -4.331 10.173 -2.381 1.00 0.00 C ATOM 975 O GLU A 68 -4.499 9.528 -1.342 1.00 0.00 O ATOM 976 CB GLU A 68 -2.210 11.406 -3.024 1.00 0.00 C ATOM 977 CG GLU A 68 -2.261 11.191 -4.527 1.00 0.00 C ATOM 978 CD GLU A 68 -1.006 11.672 -5.208 1.00 0.00 C ATOM 979 OE1 GLU A 68 -0.810 12.900 -5.291 1.00 0.00 O ATOM 980 OE2 GLU A 68 -0.197 10.829 -5.637 1.00 0.00 O ATOM 0 H GLU A 68 -2.998 11.313 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.183 12.218 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.651 12.319 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.657 10.584 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.404 10.131 -4.737 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.122 11.717 -4.940 1.00 0.00 H new ATOM 987 N TYR A 69 -4.737 9.755 -3.573 1.00 0.00 N ATOM 988 CA TYR A 69 -5.670 8.663 -3.736 1.00 0.00 C ATOM 989 C TYR A 69 -5.105 7.688 -4.742 1.00 0.00 C ATOM 990 O TYR A 69 -4.728 8.072 -5.850 1.00 0.00 O ATOM 991 CB TYR A 69 -7.032 9.173 -4.210 1.00 0.00 C ATOM 992 CG TYR A 69 -8.170 8.289 -3.780 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.333 7.986 -2.445 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.079 7.770 -4.693 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.367 7.185 -2.014 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.121 6.964 -4.273 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.260 6.675 -2.930 1.00 0.00 C ATOM 998 OH TYR A 69 -11.297 5.881 -2.499 1.00 0.00 O ATOM 0 H TYR A 69 -4.424 10.169 -4.451 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.814 8.169 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.193 10.179 -3.822 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.028 9.248 -5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.636 8.385 -1.723 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.971 7.999 -5.743 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.477 6.958 -0.964 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.822 6.563 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.837 5.603 -3.268 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.015 6.442 -4.334 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.345 5.427 -5.110 1.00 0.00 C ATOM 1010 C TRP A 70 -5.281 4.244 -5.284 1.00 0.00 C ATOM 1011 O TRP A 70 -5.796 3.738 -4.306 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.079 5.020 -4.354 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.329 6.201 -3.800 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.708 7.007 -2.790 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.071 6.694 -4.218 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.776 7.986 -2.604 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.756 7.800 -3.450 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.209 6.297 -5.163 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.418 8.520 -3.607 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.976 6.982 -5.346 1.00 0.00 C ATOM 1021 CH2 TRP A 70 1.280 8.091 -4.558 1.00 0.00 C ATOM 0 H TRP A 70 -5.405 6.105 -3.454 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.072 5.795 -6.099 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.348 4.350 -3.537 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.425 4.461 -5.023 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.614 6.895 -2.213 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.846 8.743 -1.924 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.440 5.442 -5.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.635 9.385 -2.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.672 6.656 -6.105 1.00 0.00 H new ATOM 0 HH2 TRP A 70 2.213 8.613 -4.708 1.00 0.00 H new ATOM 1032 N THR A 71 -5.511 3.815 -6.507 1.00 0.00 N ATOM 1033 CA THR A 71 -6.514 2.795 -6.770 1.00 0.00 C ATOM 1034 C THR A 71 -5.883 1.478 -7.197 1.00 0.00 C ATOM 1035 O THR A 71 -4.780 1.457 -7.751 1.00 0.00 O ATOM 1036 CB THR A 71 -7.506 3.286 -7.834 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.822 4.077 -8.818 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.610 4.101 -7.179 1.00 0.00 C ATOM 0 H THR A 71 -5.021 4.153 -7.335 1.00 0.00 H new ATOM 0 HA THR A 71 -7.052 2.613 -5.840 1.00 0.00 H new ATOM 0 HB THR A 71 -7.952 2.423 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.462 4.384 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.309 4.445 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.139 3.481 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.175 4.961 -6.671 1.00 0.00 H new ATOM 1046 N PHE A 72 -6.575 0.376 -6.922 1.00 0.00 N ATOM 1047 CA PHE A 72 -6.031 -0.936 -7.205 1.00 0.00 C ATOM 1048 C PHE A 72 -6.934 -1.839 -7.998 1.00 0.00 C ATOM 1049 O PHE A 72 -8.161 -1.803 -7.904 1.00 0.00 O ATOM 1050 CB PHE A 72 -5.714 -1.706 -5.952 1.00 0.00 C ATOM 1051 CG PHE A 72 -4.384 -1.424 -5.377 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.224 -1.531 -6.120 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -4.315 -1.080 -4.074 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -2.001 -1.277 -5.535 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -3.114 -0.827 -3.467 1.00 0.00 C ATOM 1056 CZ PHE A 72 -1.945 -0.927 -4.201 1.00 0.00 C ATOM 0 H PHE A 72 -7.507 0.371 -6.506 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.141 -0.696 -7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -6.474 -1.484 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.783 -2.772 -6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.275 -1.814 -7.161 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.225 -1.003 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.094 -1.351 -6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.079 -0.551 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.992 -0.732 -3.732 1.00 0.00 H new ATOM 1066 N SER A 73 -6.250 -2.714 -8.691 1.00 0.00 N ATOM 1067 CA SER A 73 -6.812 -3.897 -9.308 1.00 0.00 C ATOM 1068 C SER A 73 -5.663 -4.826 -9.634 1.00 0.00 C ATOM 1069 O SER A 73 -4.738 -4.460 -10.361 1.00 0.00 O ATOM 1070 CB SER A 73 -7.606 -3.610 -10.569 1.00 0.00 C ATOM 1071 OG SER A 73 -8.732 -2.783 -10.310 1.00 0.00 O ATOM 0 H SER A 73 -5.247 -2.621 -8.849 1.00 0.00 H new ATOM 0 HA SER A 73 -7.518 -4.341 -8.606 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.961 -3.125 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.939 -4.550 -11.010 1.00 0.00 H new ATOM 0 HG SER A 73 -8.821 -2.645 -9.344 1.00 0.00 H new ATOM 1077 N ALA A 74 -5.723 -6.014 -9.091 1.00 0.00 N ATOM 1078 CA ALA A 74 -4.578 -6.908 -9.094 1.00 0.00 C ATOM 1079 C ALA A 74 -4.979 -8.374 -9.134 1.00 0.00 C ATOM 1080 O ALA A 74 -5.830 -8.821 -8.367 1.00 0.00 O ATOM 1081 CB ALA A 74 -3.732 -6.651 -7.854 1.00 0.00 C ATOM 0 H ALA A 74 -6.554 -6.393 -8.637 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.009 -6.701 -10.000 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.872 -7.321 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.386 -5.617 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.331 -6.830 -6.961 1.00 0.00 H new ATOM 1087 N SER A 75 -4.349 -9.125 -10.012 1.00 0.00 N ATOM 1088 CA SER A 75 -4.484 -10.562 -9.996 1.00 0.00 C ATOM 1089 C SER A 75 -3.272 -11.135 -9.273 1.00 0.00 C ATOM 1090 O SER A 75 -2.189 -11.265 -9.849 1.00 0.00 O ATOM 1091 CB SER A 75 -4.583 -11.106 -11.426 1.00 0.00 C ATOM 1092 OG SER A 75 -4.908 -12.485 -11.434 1.00 0.00 O ATOM 0 H SER A 75 -3.739 -8.763 -10.745 1.00 0.00 H new ATOM 0 HA SER A 75 -5.397 -10.855 -9.477 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.341 -10.549 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.635 -10.951 -11.942 1.00 0.00 H new ATOM 0 HG SER A 75 -4.965 -12.802 -12.359 1.00 0.00 H new ATOM 1098 N VAL A 76 -3.448 -11.467 -8.003 1.00 0.00 N ATOM 1099 CA VAL A 76 -2.324 -11.867 -7.173 1.00 0.00 C ATOM 1100 C VAL A 76 -2.103 -13.373 -7.250 1.00 0.00 C ATOM 1101 O VAL A 76 -3.051 -14.153 -7.343 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.495 -11.408 -5.701 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.705 -9.905 -5.643 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.648 -12.114 -5.019 1.00 0.00 C ATOM 0 H VAL A 76 -4.351 -11.467 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.438 -11.367 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.581 -11.671 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.824 -9.594 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.842 -9.400 -6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.600 -9.641 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.732 -11.763 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.574 -11.899 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.469 -13.189 -5.022 1.00 0.00 H new ATOM 1114 N LYS A 77 -0.843 -13.771 -7.207 1.00 0.00 N ATOM 1115 CA LYS A 77 -0.457 -15.167 -7.401 1.00 0.00 C ATOM 1116 C LYS A 77 -0.453 -15.918 -6.074 1.00 0.00 C ATOM 1117 O LYS A 77 0.339 -16.835 -5.861 1.00 0.00 O ATOM 1118 CB LYS A 77 0.926 -15.226 -8.057 1.00 0.00 C ATOM 1119 CG LYS A 77 2.021 -14.562 -7.232 1.00 0.00 C ATOM 1120 CD LYS A 77 3.307 -14.419 -8.024 1.00 0.00 C ATOM 1121 CE LYS A 77 4.421 -13.827 -7.176 1.00 0.00 C ATOM 1122 NZ LYS A 77 5.661 -13.609 -7.965 1.00 0.00 N ATOM 0 H LYS A 77 -0.058 -13.142 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.185 -15.649 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.193 -16.269 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.876 -14.745 -9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.684 -13.579 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.209 -15.151 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.614 -15.395 -8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.132 -13.783 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.090 -12.879 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.635 -14.494 -6.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.396 -13.204 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.992 -14.517 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.464 -12.953 -8.747 1.00 0.00 H new ATOM 1136 N GLY A 78 -1.348 -15.515 -5.193 1.00 0.00 N ATOM 1137 CA GLY A 78 -1.398 -16.088 -3.866 1.00 0.00 C ATOM 1138 C GLY A 78 -0.714 -15.184 -2.871 1.00 0.00 C ATOM 1139 O GLY A 78 0.300 -14.564 -3.197 1.00 0.00 O ATOM 0 H GLY A 78 -2.048 -14.795 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.435 -16.244 -3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.917 -17.066 -3.868 1.00 0.00 H new ATOM 1143 N ILE A 79 -1.263 -15.089 -1.670 1.00 0.00 N ATOM 1144 CA ILE A 79 -0.738 -14.169 -0.677 1.00 0.00 C ATOM 1145 C ILE A 79 -1.039 -14.637 0.737 1.00 0.00 C ATOM 1146 O ILE A 79 -2.083 -15.232 1.007 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.293 -12.743 -0.883 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -0.876 -11.822 0.263 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -2.807 -12.754 -1.031 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.293 -10.390 0.063 1.00 0.00 C ATOM 0 H ILE A 79 -2.068 -15.635 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 79 0.344 -14.148 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.866 -12.357 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.309 -12.192 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.207 -11.864 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.166 -11.735 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.084 -13.361 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.257 -13.174 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.965 -9.793 0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.839 -10.003 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.378 -10.335 -0.021 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.089 -14.382 1.615 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.219 -14.687 3.029 1.00 0.00 C ATOM 1164 C LYS A 80 -0.476 -13.408 3.820 1.00 0.00 C ATOM 1165 O LYS A 80 -1.447 -13.312 4.573 1.00 0.00 O ATOM 1166 CB LYS A 80 1.059 -15.358 3.545 1.00 0.00 C ATOM 1167 CG LYS A 80 1.357 -16.706 2.914 1.00 0.00 C ATOM 1168 CD LYS A 80 0.326 -17.752 3.300 1.00 0.00 C ATOM 1169 CE LYS A 80 0.753 -19.135 2.846 1.00 0.00 C ATOM 1170 NZ LYS A 80 2.031 -19.551 3.483 1.00 0.00 N ATOM 0 H LYS A 80 0.803 -13.954 1.367 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.060 -15.368 3.161 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.903 -14.692 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.978 -15.486 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.380 -16.602 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.347 -17.041 3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.187 -17.748 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.636 -17.501 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.027 -19.856 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.867 -19.144 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.107 -20.588 3.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.830 -19.135 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.051 -19.221 4.469 1.00 0.00 H new ATOM 1184 N GLU A 81 0.399 -12.424 3.630 1.00 0.00 N ATOM 1185 CA GLU A 81 0.341 -11.182 4.393 1.00 0.00 C ATOM 1186 C GLU A 81 1.027 -10.055 3.629 1.00 0.00 C ATOM 1187 O GLU A 81 1.777 -10.333 2.717 1.00 0.00 O ATOM 1188 CB GLU A 81 1.019 -11.412 5.738 1.00 0.00 C ATOM 1189 CG GLU A 81 2.497 -11.747 5.635 1.00 0.00 C ATOM 1190 CD GLU A 81 3.138 -11.992 6.984 1.00 0.00 C ATOM 1191 OE1 GLU A 81 2.658 -12.874 7.727 1.00 0.00 O ATOM 1192 OE2 GLU A 81 4.125 -11.306 7.309 1.00 0.00 O ATOM 0 H GLU A 81 1.159 -12.464 2.951 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.697 -10.890 4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.901 -10.518 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.508 -12.223 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.622 -12.633 5.012 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.016 -10.930 5.134 1.00 0.00 H new ATOM 1199 N PHE A 82 0.767 -8.787 3.959 1.00 0.00 N ATOM 1200 CA PHE A 82 1.467 -7.686 3.263 1.00 0.00 C ATOM 1201 C PHE A 82 1.755 -6.506 4.178 1.00 0.00 C ATOM 1202 O PHE A 82 1.236 -6.429 5.276 1.00 0.00 O ATOM 1203 CB PHE A 82 0.621 -7.184 2.076 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.843 -7.153 2.362 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.272 -6.794 3.609 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -1.779 -7.495 1.405 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.595 -6.777 3.925 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -3.126 -7.475 1.707 1.00 0.00 C ATOM 1209 CZ PHE A 82 -3.535 -7.115 2.976 1.00 0.00 C ATOM 0 H PHE A 82 0.103 -8.496 4.676 1.00 0.00 H new ATOM 0 HA PHE A 82 2.417 -8.093 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.951 -6.182 1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.802 -7.826 1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.546 -6.518 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.455 -7.780 0.415 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.909 -6.498 4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.855 -7.739 0.956 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.586 -7.098 3.223 1.00 0.00 H new ATOM 1219 N TYR A 83 2.587 -5.596 3.701 1.00 0.00 N ATOM 1220 CA TYR A 83 2.723 -4.273 4.294 1.00 0.00 C ATOM 1221 C TYR A 83 3.159 -3.333 3.184 1.00 0.00 C ATOM 1222 O TYR A 83 3.656 -3.788 2.153 1.00 0.00 O ATOM 1223 CB TYR A 83 3.688 -4.266 5.495 1.00 0.00 C ATOM 1224 CG TYR A 83 5.148 -4.054 5.177 1.00 0.00 C ATOM 1225 CD1 TYR A 83 5.804 -4.834 4.242 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.875 -3.075 5.841 1.00 0.00 C ATOM 1227 CE1 TYR A 83 7.148 -4.646 3.974 1.00 0.00 C ATOM 1228 CE2 TYR A 83 7.213 -2.878 5.577 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.846 -3.668 4.645 1.00 0.00 C ATOM 1230 OH TYR A 83 9.183 -3.481 4.383 1.00 0.00 O ATOM 0 H TYR A 83 3.188 -5.752 2.892 1.00 0.00 H new ATOM 0 HA TYR A 83 1.771 -3.942 4.710 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.371 -3.484 6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.587 -5.215 6.021 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.259 -5.602 3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.383 -2.457 6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.647 -5.264 3.242 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.762 -2.108 6.099 1.00 0.00 H new ATOM 0 HH TYR A 83 9.358 -2.528 4.238 1.00 0.00 H new ATOM 1240 N ILE A 84 2.939 -2.044 3.340 1.00 0.00 N ATOM 1241 CA ILE A 84 3.053 -1.161 2.198 1.00 0.00 C ATOM 1242 C ILE A 84 4.372 -0.405 2.186 1.00 0.00 C ATOM 1243 O ILE A 84 4.916 -0.039 3.232 1.00 0.00 O ATOM 1244 CB ILE A 84 1.872 -0.172 2.114 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.539 -0.877 2.407 1.00 0.00 C ATOM 1246 CG2 ILE A 84 1.830 0.462 0.735 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.388 -2.222 1.728 1.00 0.00 C ATOM 0 H ILE A 84 2.687 -1.594 4.220 1.00 0.00 H new ATOM 0 HA ILE A 84 3.025 -1.802 1.317 1.00 0.00 H new ATOM 0 HB ILE A 84 2.019 0.603 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.441 -1.013 3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.279 -0.229 2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.994 1.160 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.762 0.997 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.704 -0.315 -0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.579 -2.653 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.451 -2.093 0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.183 -2.889 2.061 1.00 0.00 H new ATOM 1259 N LYS A 85 4.871 -0.179 0.979 1.00 0.00 N ATOM 1260 CA LYS A 85 6.132 0.494 0.763 1.00 0.00 C ATOM 1261 C LYS A 85 5.894 1.924 0.327 1.00 0.00 C ATOM 1262 O LYS A 85 5.451 2.164 -0.798 1.00 0.00 O ATOM 1263 CB LYS A 85 6.923 -0.226 -0.331 1.00 0.00 C ATOM 1264 CG LYS A 85 7.685 -1.450 0.135 1.00 0.00 C ATOM 1265 CD LYS A 85 9.107 -1.084 0.505 1.00 0.00 C ATOM 1266 CE LYS A 85 9.860 -0.535 -0.699 1.00 0.00 C ATOM 1267 NZ LYS A 85 11.244 -0.108 -0.357 1.00 0.00 N ATOM 0 H LYS A 85 4.403 -0.462 0.118 1.00 0.00 H new ATOM 0 HA LYS A 85 6.693 0.485 1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.234 -0.524 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.629 0.478 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.182 -1.892 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.691 -2.203 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.099 -0.342 1.303 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.623 -1.962 0.892 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.900 -1.297 -1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.313 0.313 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.550 0.638 -1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.264 0.259 0.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.887 -0.922 -0.433 1.00 0.00 H new ATOM 1281 N TYR A 86 6.174 2.872 1.201 1.00 0.00 N ATOM 1282 CA TYR A 86 6.109 4.263 0.806 1.00 0.00 C ATOM 1283 C TYR A 86 7.513 4.744 0.503 1.00 0.00 C ATOM 1284 O TYR A 86 8.280 5.069 1.408 1.00 0.00 O ATOM 1285 CB TYR A 86 5.465 5.128 1.891 1.00 0.00 C ATOM 1286 CG TYR A 86 5.232 6.555 1.447 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.720 6.825 0.188 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.517 7.623 2.281 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.498 8.117 -0.231 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.299 8.926 1.870 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.788 9.169 0.613 1.00 0.00 C ATOM 1292 OH TYR A 86 4.566 10.466 0.201 1.00 0.00 O ATOM 0 H TYR A 86 6.444 2.708 2.171 1.00 0.00 H new ATOM 0 HA TYR A 86 5.483 4.352 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.514 4.685 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.103 5.128 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.491 6.006 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.915 7.436 3.267 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.098 8.306 -1.216 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.528 9.749 2.531 1.00 0.00 H new ATOM 0 HH TYR A 86 3.746 10.805 0.616 1.00 0.00 H new ATOM 1302 N GLU A 87 7.844 4.786 -0.770 1.00 0.00 N ATOM 1303 CA GLU A 87 9.182 5.126 -1.183 1.00 0.00 C ATOM 1304 C GLU A 87 9.165 6.415 -1.986 1.00 0.00 C ATOM 1305 O GLU A 87 8.356 6.588 -2.899 1.00 0.00 O ATOM 1306 CB GLU A 87 9.789 3.966 -1.971 1.00 0.00 C ATOM 1307 CG GLU A 87 11.247 4.162 -2.337 1.00 0.00 C ATOM 1308 CD GLU A 87 11.906 2.879 -2.816 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.930 1.894 -2.044 1.00 0.00 O ATOM 1310 OE2 GLU A 87 12.410 2.848 -3.962 1.00 0.00 O ATOM 0 H GLU A 87 7.200 4.588 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 87 9.809 5.295 -0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.692 3.052 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.213 3.820 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.323 4.919 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.788 4.542 -1.470 1.00 0.00 H new ATOM 1317 N VAL A 88 10.046 7.322 -1.619 1.00 0.00 N ATOM 1318 CA VAL A 88 10.049 8.665 -2.163 1.00 0.00 C ATOM 1319 C VAL A 88 11.388 8.954 -2.831 1.00 0.00 C ATOM 1320 O VAL A 88 12.339 8.194 -2.643 1.00 0.00 O ATOM 1321 CB VAL A 88 9.772 9.717 -1.060 1.00 0.00 C ATOM 1322 CG1 VAL A 88 9.313 11.037 -1.659 1.00 0.00 C ATOM 1323 CG2 VAL A 88 8.749 9.190 -0.063 1.00 0.00 C ATOM 0 H VAL A 88 10.782 7.149 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 88 9.252 8.731 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 88 10.706 9.902 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.127 11.754 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.087 11.425 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.396 10.880 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.567 9.943 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.816 8.968 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 88 9.130 8.281 0.403 1.00 0.00 H new ATOM 1333 N SER A 89 11.451 10.015 -3.625 1.00 0.00 N ATOM 1334 CA SER A 89 12.646 10.381 -4.351 1.00 0.00 C ATOM 1335 C SER A 89 13.901 10.348 -3.469 1.00 0.00 C ATOM 1336 O SER A 89 14.977 9.940 -3.920 1.00 0.00 O ATOM 1337 CB SER A 89 12.423 11.770 -4.935 1.00 0.00 C ATOM 1338 OG SER A 89 11.612 12.555 -4.072 1.00 0.00 O ATOM 0 H SER A 89 10.665 10.646 -3.780 1.00 0.00 H new ATOM 0 HA SER A 89 12.823 9.653 -5.143 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.383 12.263 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.948 11.687 -5.912 1.00 0.00 H new ATOM 0 HG SER A 89 11.482 13.444 -4.464 1.00 0.00 H new ATOM 1344 N GLY A 90 13.761 10.760 -2.214 1.00 0.00 N ATOM 1345 CA GLY A 90 14.895 10.757 -1.311 1.00 0.00 C ATOM 1346 C GLY A 90 14.632 10.016 -0.009 1.00 0.00 C ATOM 1347 O GLY A 90 15.572 9.636 0.689 1.00 0.00 O ATOM 0 H GLY A 90 12.887 11.094 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.748 10.301 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.172 11.787 -1.084 1.00 0.00 H new ATOM 1351 N LYS A 91 13.365 9.797 0.327 1.00 0.00 N ATOM 1352 CA LYS A 91 13.018 9.213 1.606 1.00 0.00 C ATOM 1353 C LYS A 91 12.292 7.885 1.407 1.00 0.00 C ATOM 1354 O LYS A 91 11.901 7.548 0.296 1.00 0.00 O ATOM 1355 CB LYS A 91 12.125 10.191 2.364 1.00 0.00 C ATOM 1356 CG LYS A 91 11.999 9.895 3.840 1.00 0.00 C ATOM 1357 CD LYS A 91 13.287 10.202 4.589 1.00 0.00 C ATOM 1358 CE LYS A 91 13.646 11.676 4.485 1.00 0.00 C ATOM 1359 NZ LYS A 91 14.900 12.004 5.209 1.00 0.00 N ATOM 0 H LYS A 91 12.568 10.016 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 91 13.926 9.020 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.521 11.199 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.131 10.181 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.184 10.484 4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.738 8.846 3.980 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.176 9.925 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.099 9.598 4.184 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.754 11.948 3.435 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.830 12.276 4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.103 13.019 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.791 11.770 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.686 11.453 4.809 1.00 0.00 H new ATOM 1373 N THR A 92 12.149 7.118 2.474 1.00 0.00 N ATOM 1374 CA THR A 92 11.334 5.914 2.446 1.00 0.00 C ATOM 1375 C THR A 92 10.718 5.671 3.816 1.00 0.00 C ATOM 1376 O THR A 92 11.321 5.987 4.843 1.00 0.00 O ATOM 1377 CB THR A 92 12.149 4.671 2.031 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.941 4.974 0.874 1.00 0.00 O ATOM 1379 CG2 THR A 92 11.242 3.482 1.719 1.00 0.00 C ATOM 0 H THR A 92 12.588 7.308 3.375 1.00 0.00 H new ATOM 0 HA THR A 92 10.553 6.071 1.702 1.00 0.00 H new ATOM 0 HB THR A 92 12.792 4.402 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.458 4.183 0.615 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.851 2.625 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.656 3.229 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.570 3.742 0.901 1.00 0.00 H new ATOM 1387 N TYR A 93 9.517 5.135 3.819 1.00 0.00 N ATOM 1388 CA TYR A 93 8.857 4.732 5.047 1.00 0.00 C ATOM 1389 C TYR A 93 8.216 3.378 4.844 1.00 0.00 C ATOM 1390 O TYR A 93 8.281 2.794 3.757 1.00 0.00 O ATOM 1391 CB TYR A 93 7.769 5.717 5.491 1.00 0.00 C ATOM 1392 CG TYR A 93 8.183 7.156 5.512 1.00 0.00 C ATOM 1393 CD1 TYR A 93 8.853 7.714 6.589 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.873 7.953 4.445 1.00 0.00 C ATOM 1395 CE1 TYR A 93 9.203 9.049 6.587 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.212 9.290 4.423 1.00 0.00 C ATOM 1397 CZ TYR A 93 8.879 9.834 5.499 1.00 0.00 C ATOM 1398 OH TYR A 93 9.219 11.168 5.493 1.00 0.00 O ATOM 0 H TYR A 93 8.970 4.966 2.975 1.00 0.00 H new ATOM 0 HA TYR A 93 9.621 4.704 5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.912 5.612 4.826 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.433 5.437 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.104 7.097 7.439 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.351 7.526 3.601 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.726 9.476 7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.957 9.904 3.572 1.00 0.00 H new ATOM 0 HH TYR A 93 8.920 11.578 4.654 1.00 0.00 H new ATOM 1408 N TYR A 94 7.548 2.926 5.877 1.00 0.00 N ATOM 1409 CA TYR A 94 6.981 1.591 5.917 1.00 0.00 C ATOM 1410 C TYR A 94 5.740 1.590 6.792 1.00 0.00 C ATOM 1411 O TYR A 94 5.786 2.038 7.939 1.00 0.00 O ATOM 1412 CB TYR A 94 8.001 0.589 6.472 1.00 0.00 C ATOM 1413 CG TYR A 94 9.202 0.364 5.579 1.00 0.00 C ATOM 1414 CD1 TYR A 94 9.066 -0.297 4.368 1.00 0.00 C ATOM 1415 CD2 TYR A 94 10.472 0.794 5.952 1.00 0.00 C ATOM 1416 CE1 TYR A 94 10.151 -0.524 3.551 1.00 0.00 C ATOM 1417 CE2 TYR A 94 11.567 0.573 5.135 1.00 0.00 C ATOM 1418 CZ TYR A 94 11.399 -0.088 3.934 1.00 0.00 C ATOM 1419 OH TYR A 94 12.481 -0.313 3.111 1.00 0.00 O ATOM 0 H TYR A 94 7.379 3.473 6.721 1.00 0.00 H new ATOM 0 HA TYR A 94 6.715 1.294 4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.346 0.941 7.444 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.502 -0.366 6.637 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.090 -0.641 4.059 1.00 0.00 H new ATOM 0 HD2 TYR A 94 10.605 1.308 6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.023 -1.043 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.547 0.915 5.435 1.00 0.00 H new ATOM 0 HH TYR A 94 13.289 0.057 3.524 1.00 0.00 H new ATOM 1429 N ASP A 95 4.635 1.101 6.262 1.00 0.00 N ATOM 1430 CA ASP A 95 3.402 1.062 7.029 1.00 0.00 C ATOM 1431 C ASP A 95 2.754 -0.309 6.950 1.00 0.00 C ATOM 1432 O ASP A 95 2.817 -0.984 5.922 1.00 0.00 O ATOM 1433 CB ASP A 95 2.419 2.134 6.553 1.00 0.00 C ATOM 1434 CG ASP A 95 1.159 2.154 7.396 1.00 0.00 C ATOM 1435 OD1 ASP A 95 1.225 2.626 8.553 1.00 0.00 O ATOM 1436 OD2 ASP A 95 0.115 1.660 6.928 1.00 0.00 O ATOM 0 H ASP A 95 4.564 0.729 5.315 1.00 0.00 H new ATOM 0 HA ASP A 95 3.659 1.267 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.899 3.112 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.157 1.950 5.511 1.00 0.00 H new ATOM 1441 N ASN A 96 2.152 -0.720 8.053 1.00 0.00 N ATOM 1442 CA ASN A 96 1.429 -1.976 8.115 1.00 0.00 C ATOM 1443 C ASN A 96 0.031 -1.704 8.650 1.00 0.00 C ATOM 1444 O ASN A 96 -0.727 -2.633 8.958 1.00 0.00 O ATOM 1445 CB ASN A 96 2.160 -2.977 9.017 1.00 0.00 C ATOM 1446 CG ASN A 96 2.230 -2.530 10.466 1.00 0.00 C ATOM 1447 OD1 ASN A 96 3.147 -1.810 10.861 1.00 0.00 O ATOM 1448 ND2 ASN A 96 1.272 -2.966 11.269 1.00 0.00 N ATOM 0 H ASN A 96 2.151 -0.194 8.927 1.00 0.00 H new ATOM 0 HA ASN A 96 1.366 -2.411 7.118 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.655 -3.941 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.172 -3.126 8.639 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.276 -2.707 12.255 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.530 -3.561 10.901 1.00 0.00 H new ATOM 1455 N ASN A 97 -0.303 -0.411 8.729 1.00 0.00 N ATOM 1456 CA ASN A 97 -1.543 0.069 9.340 1.00 0.00 C ATOM 1457 C ASN A 97 -1.590 -0.282 10.824 1.00 0.00 C ATOM 1458 O ASN A 97 -1.367 0.572 11.680 1.00 0.00 O ATOM 1459 CB ASN A 97 -2.772 -0.491 8.611 1.00 0.00 C ATOM 1460 CG ASN A 97 -3.019 0.187 7.277 1.00 0.00 C ATOM 1461 OD1 ASN A 97 -3.824 1.112 7.178 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -2.327 -0.258 6.242 1.00 0.00 N ATOM 0 H ASN A 97 0.287 0.337 8.366 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.562 1.155 9.246 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.639 -1.561 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.651 -0.370 9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.452 0.168 5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.668 -1.027 6.362 1.00 0.00 H new ATOM 1469 N ASN A 98 -1.847 -1.552 11.107 1.00 0.00 N ATOM 1470 CA ASN A 98 -1.920 -2.081 12.458 1.00 0.00 C ATOM 1471 C ASN A 98 -2.391 -3.510 12.347 1.00 0.00 C ATOM 1472 O ASN A 98 -1.668 -4.443 12.684 1.00 0.00 O ATOM 1473 CB ASN A 98 -2.877 -1.285 13.357 1.00 0.00 C ATOM 1474 CG ASN A 98 -2.878 -1.806 14.785 1.00 0.00 C ATOM 1475 OD1 ASN A 98 -1.860 -2.289 15.283 1.00 0.00 O ATOM 1476 ND2 ASN A 98 -4.022 -1.734 15.445 1.00 0.00 N ATOM 0 H ASN A 98 -2.014 -2.256 10.388 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.937 -2.009 12.922 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.588 -0.234 13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.887 -1.339 12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.082 -2.086 16.401 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -4.844 -1.327 14.998 1.00 0.00 H new ATOM 1483 N SER A 99 -3.599 -3.673 11.821 1.00 0.00 N ATOM 1484 CA SER A 99 -4.113 -4.994 11.535 1.00 0.00 C ATOM 1485 C SER A 99 -4.867 -5.018 10.203 1.00 0.00 C ATOM 1486 O SER A 99 -5.673 -5.913 9.948 1.00 0.00 O ATOM 1487 CB SER A 99 -5.020 -5.473 12.673 1.00 0.00 C ATOM 1488 OG SER A 99 -4.356 -5.397 13.925 1.00 0.00 O ATOM 0 H SER A 99 -4.232 -2.908 11.587 1.00 0.00 H new ATOM 0 HA SER A 99 -3.265 -5.674 11.453 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.925 -4.866 12.701 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.332 -6.501 12.485 1.00 0.00 H new ATOM 0 HG SER A 99 -4.958 -5.707 14.634 1.00 0.00 H new ATOM 1494 N ALA A 100 -4.599 -4.026 9.361 1.00 0.00 N ATOM 1495 CA ALA A 100 -5.184 -3.985 8.025 1.00 0.00 C ATOM 1496 C ALA A 100 -4.278 -4.719 7.048 1.00 0.00 C ATOM 1497 O ALA A 100 -4.732 -5.377 6.122 1.00 0.00 O ATOM 1498 CB ALA A 100 -5.398 -2.547 7.576 1.00 0.00 C ATOM 0 H ALA A 100 -3.983 -3.242 9.578 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.156 -4.478 8.050 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.835 -2.539 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.071 -2.045 8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.441 -2.025 7.558 1.00 0.00 H new ATOM 1504 N ASN A 101 -2.985 -4.582 7.273 1.00 0.00 N ATOM 1505 CA ASN A 101 -1.982 -5.329 6.531 1.00 0.00 C ATOM 1506 C ASN A 101 -1.668 -6.605 7.267 1.00 0.00 C ATOM 1507 O ASN A 101 -2.219 -6.862 8.339 1.00 0.00 O ATOM 1508 CB ASN A 101 -0.723 -4.481 6.324 1.00 0.00 C ATOM 1509 CG ASN A 101 -0.949 -3.271 5.423 1.00 0.00 C ATOM 1510 OD1 ASN A 101 -0.342 -2.226 5.623 1.00 0.00 O ATOM 1511 ND2 ASN A 101 -1.807 -3.398 4.420 1.00 0.00 N ATOM 0 H ASN A 101 -2.598 -3.951 7.975 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.371 -5.580 5.544 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -0.360 -4.140 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 101 0.060 -5.105 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -1.976 -2.613 3.791 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.298 -4.281 4.278 1.00 0.00 H new ATOM 1518 N TYR A 102 -0.782 -7.386 6.675 1.00 0.00 N ATOM 1519 CA TYR A 102 -0.442 -8.704 7.149 1.00 0.00 C ATOM 1520 C TYR A 102 -1.569 -9.681 6.866 1.00 0.00 C ATOM 1521 O TYR A 102 -1.831 -9.943 5.693 1.00 0.00 O ATOM 1522 CB TYR A 102 -0.020 -8.636 8.612 1.00 0.00 C ATOM 1523 CG TYR A 102 1.343 -8.000 8.742 1.00 0.00 C ATOM 1524 CD1 TYR A 102 1.598 -6.818 8.081 1.00 0.00 C ATOM 1525 CD2 TYR A 102 2.372 -8.581 9.467 1.00 0.00 C ATOM 1526 CE1 TYR A 102 2.820 -6.216 8.120 1.00 0.00 C ATOM 1527 CE2 TYR A 102 3.620 -7.980 9.527 1.00 0.00 C ATOM 1528 CZ TYR A 102 3.839 -6.793 8.849 1.00 0.00 C ATOM 1529 OH TYR A 102 5.078 -6.195 8.896 1.00 0.00 O ATOM 0 H TYR A 102 -0.272 -7.111 5.835 1.00 0.00 H new ATOM 0 HA TYR A 102 0.419 -9.091 6.603 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -0.751 -8.062 9.181 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.001 -9.639 9.038 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.804 -6.354 7.514 1.00 0.00 H new ATOM 0 HD2 TYR A 102 2.200 -9.510 9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.989 -5.294 7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.416 -8.435 10.099 1.00 0.00 H new ATOM 0 HH TYR A 102 5.679 -6.731 9.454 1.00 0.00 H new ATOM 1539 N GLN A 103 -2.255 -10.170 7.892 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.225 -11.253 7.713 1.00 0.00 C ATOM 1541 C GLN A 103 -4.293 -10.917 6.660 1.00 0.00 C ATOM 1542 O GLN A 103 -5.173 -10.080 6.866 1.00 0.00 O ATOM 1543 CB GLN A 103 -3.851 -11.689 9.056 1.00 0.00 C ATOM 1544 CG GLN A 103 -4.910 -10.761 9.623 1.00 0.00 C ATOM 1545 CD GLN A 103 -4.380 -9.388 9.954 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -4.036 -9.088 11.099 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -4.243 -8.581 8.929 1.00 0.00 N ATOM 0 H GLN A 103 -2.162 -9.839 8.852 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.671 -12.108 7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.293 -12.677 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.053 -11.791 9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.724 -10.666 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -5.331 -11.208 10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -4.544 -8.879 8.001 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -3.835 -7.655 9.060 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.179 -11.556 5.504 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.144 -11.379 4.433 1.00 0.00 C ATOM 1558 C VAL A 104 -6.383 -12.220 4.704 1.00 0.00 C ATOM 1559 O VAL A 104 -6.314 -13.448 4.718 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.542 -11.768 3.068 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.574 -11.617 1.963 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.310 -10.928 2.769 1.00 0.00 C ATOM 0 H VAL A 104 -3.423 -12.205 5.285 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.418 -10.325 4.399 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.241 -12.815 3.113 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.128 -11.897 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.426 -12.265 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.909 -10.581 1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.899 -11.217 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.585 -9.874 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.562 -11.091 3.545 1.00 0.00 H new ATOM 1572 N SER A 105 -7.502 -11.555 4.935 1.00 0.00 N ATOM 1573 CA SER A 105 -8.742 -12.237 5.254 1.00 0.00 C ATOM 1574 C SER A 105 -9.555 -12.511 3.988 1.00 0.00 C ATOM 1575 O SER A 105 -10.153 -11.602 3.409 1.00 0.00 O ATOM 1576 CB SER A 105 -9.543 -11.397 6.246 1.00 0.00 C ATOM 1577 OG SER A 105 -8.748 -11.079 7.379 1.00 0.00 O ATOM 0 H SER A 105 -7.576 -10.538 4.907 1.00 0.00 H new ATOM 0 HA SER A 105 -8.511 -13.200 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.884 -10.481 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.433 -11.943 6.560 1.00 0.00 H new ATOM 0 HG SER A 105 -9.273 -10.539 8.006 1.00 0.00 H new ATOM 1583 N THR A 106 -9.548 -13.763 3.557 1.00 0.00 N ATOM 1584 CA THR A 106 -10.288 -14.187 2.379 1.00 0.00 C ATOM 1585 C THR A 106 -10.331 -15.710 2.320 1.00 0.00 C ATOM 1586 O THR A 106 -11.433 -16.270 2.144 1.00 0.00 O ATOM 1587 CB THR A 106 -9.688 -13.606 1.071 1.00 0.00 C ATOM 1588 OG1 THR A 106 -10.450 -14.038 -0.070 1.00 0.00 O ATOM 1589 CG2 THR A 106 -8.229 -14.010 0.893 1.00 0.00 C ATOM 1590 OXT THR A 106 -9.270 -16.344 2.504 1.00 0.00 O ATOM 0 H THR A 106 -9.029 -14.513 4.014 1.00 0.00 H new ATOM 0 HA THR A 106 -11.303 -13.798 2.463 1.00 0.00 H new ATOM 0 HB THR A 106 -9.735 -12.520 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.941 -13.276 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.844 -13.584 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.643 -13.638 1.734 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.155 -15.097 0.851 1.00 0.00 H new