USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 891 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 70 TYR OH : rot 131:sc= -0.832 USER MOD Set 1.2: A 71 ASN : amide:sc= -7.05! C(o=-7.9!,f=-16!) USER MOD Set 2.1: A 53 ASN : amide:sc= -2.63 K(o=-1.8,f=-6.4!) USER MOD Set 2.2: A 55 ASN : amide:sc= 0.871 K(o=-1.8,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -3.13 X(o=-3.1,f=-2.8!) USER MOD Single : A 43 MET CE :methyl -109:sc= -3.42! (180deg=-7.57!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -0.659 (180deg=-0.672) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.81 F(o=-2.6,f=-1.8) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.289 F(o=-1.2,f=-0.29) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.0301 F(o=-0.62,f=-0.03) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -8.28! C(o=-8.3!,f=-14!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 148:sc= -2.61 (180deg=-5.14!) USER MOD Single : A 95 MET CE :methyl -159:sc= -4.68! (180deg=-5.78!) USER MOD Single : A 96 HIS : no HE2:sc= -4.07 K(o=-4.1,f=-6.7!) USER MOD Single : A 97 TYR OH : rot -20:sc= 0.748 USER MOD Single : A 99 THR OG1 : rot -162:sc= -1.58 USER MOD Single : A 103 ASN : amide:sc= -1.44 K(o=-1.4,f=-7.2!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -164:sc= -2.27 (180deg=-3.23!) USER MOD Single : A 109 LYS NZ :NH3+ -143:sc= -2.25 (180deg=-4.39!) USER MOD Single : A 111 TYR OH : rot 180:sc= -0.406 USER MOD Single : A 114 LYS NZ :NH3+ -127:sc= -0.0181 (180deg=-0.204) USER MOD Single : A 118 GLN : amide:sc= -6.72 K(o=-6.7,f=-19!) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= -0.226 F(o=-1.1,f=-0.23) USER MOD Single : A 125 GLN : amide:sc= -3.02! C(o=-3!,f=-6.5!) USER MOD Single : A 127 GLN : amide:sc= -5.32 K(o=-5.3,f=-8.4!) USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0848 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N PRO A 6 6.067 7.464 10.840 1.00 0.00 N ATOM 75 CA PRO A 6 4.678 7.489 11.308 1.00 0.00 C ATOM 76 C PRO A 6 4.378 8.715 12.165 1.00 0.00 C ATOM 77 O PRO A 6 5.284 9.458 12.541 1.00 0.00 O ATOM 78 CB PRO A 6 4.562 6.212 12.142 1.00 0.00 C ATOM 79 CG PRO A 6 5.947 5.946 12.618 1.00 0.00 C ATOM 80 CD PRO A 6 6.864 6.429 11.528 1.00 0.00 C ATOM 0 HA PRO A 6 3.969 7.540 10.481 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.875 6.345 12.977 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.182 5.383 11.546 1.00 0.00 H new ATOM 0 HG2 PRO A 6 6.145 6.469 13.554 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.096 4.883 12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 6 7.789 6.839 11.934 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.143 5.621 10.851 1.00 0.00 H new ATOM 88 N LYS A 7 3.100 8.919 12.469 1.00 0.00 N ATOM 89 CA LYS A 7 2.680 10.055 13.281 1.00 0.00 C ATOM 90 C LYS A 7 3.046 11.373 12.605 1.00 0.00 C ATOM 91 O LYS A 7 4.040 12.008 12.957 1.00 0.00 O ATOM 92 CB LYS A 7 3.324 9.984 14.667 1.00 0.00 C ATOM 93 CG LYS A 7 2.503 9.203 15.680 1.00 0.00 C ATOM 94 CD LYS A 7 2.886 7.732 15.693 1.00 0.00 C ATOM 95 CE LYS A 7 3.861 7.421 16.817 1.00 0.00 C ATOM 96 NZ LYS A 7 3.602 6.085 17.422 1.00 0.00 N1+ ATOM 0 H LYS A 7 2.338 8.313 12.165 1.00 0.00 H new ATOM 0 HA LYS A 7 1.596 10.011 13.388 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.308 9.525 14.578 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.477 10.997 15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.650 9.627 16.673 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.443 9.302 15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.990 7.122 15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.334 7.463 14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.881 7.454 16.433 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.785 8.189 17.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.288 5.910 18.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.638 6.061 17.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.699 5.349 16.693 1.00 0.00 H new ATOM 110 N LYS A 8 2.235 11.777 11.632 1.00 0.00 N ATOM 111 CA LYS A 8 2.473 13.020 10.906 1.00 0.00 C ATOM 112 C LYS A 8 1.355 13.285 9.900 1.00 0.00 C ATOM 113 O LYS A 8 0.756 12.351 9.366 1.00 0.00 O ATOM 114 CB LYS A 8 3.822 12.963 10.186 1.00 0.00 C ATOM 115 CG LYS A 8 4.597 14.269 10.241 1.00 0.00 C ATOM 116 CD LYS A 8 6.095 14.026 10.317 1.00 0.00 C ATOM 117 CE LYS A 8 6.868 15.050 9.502 1.00 0.00 C ATOM 118 NZ LYS A 8 7.135 14.571 8.118 1.00 0.00 N1+ ATOM 0 H LYS A 8 1.408 11.262 11.328 1.00 0.00 H new ATOM 0 HA LYS A 8 2.489 13.837 11.627 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.427 12.172 10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.657 12.692 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.369 14.866 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.277 14.847 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.419 14.068 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.321 13.024 9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.304 15.982 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.813 15.271 9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.664 15.298 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.695 13.695 8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.233 14.385 7.635 1.00 0.00 H new ATOM 132 N PRO A 9 1.060 14.567 9.627 1.00 0.00 N ATOM 133 CA PRO A 9 0.008 14.951 8.679 1.00 0.00 C ATOM 134 C PRO A 9 0.164 14.258 7.330 1.00 0.00 C ATOM 135 O PRO A 9 1.093 13.476 7.126 1.00 0.00 O ATOM 136 CB PRO A 9 0.197 16.462 8.529 1.00 0.00 C ATOM 137 CG PRO A 9 0.849 16.889 9.798 1.00 0.00 C ATOM 138 CD PRO A 9 1.726 15.743 10.219 1.00 0.00 C ATOM 0 HA PRO A 9 -0.983 14.666 9.033 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.818 16.700 7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.757 16.968 8.384 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.436 17.795 9.649 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.105 17.113 10.563 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.744 15.858 9.847 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.791 15.664 11.304 1.00 0.00 H new ATOM 146 N VAL A 10 -0.751 14.549 6.411 1.00 0.00 N ATOM 147 CA VAL A 10 -0.713 13.953 5.081 1.00 0.00 C ATOM 148 C VAL A 10 -1.285 14.908 4.033 1.00 0.00 C ATOM 149 O VAL A 10 -2.070 15.799 4.357 1.00 0.00 O ATOM 150 CB VAL A 10 -1.490 12.618 5.042 1.00 0.00 C ATOM 151 CG1 VAL A 10 -1.084 11.731 6.209 1.00 0.00 C ATOM 152 CG2 VAL A 10 -2.992 12.861 5.050 1.00 0.00 C ATOM 0 H VAL A 10 -1.527 15.193 6.563 1.00 0.00 H new ATOM 0 HA VAL A 10 0.333 13.757 4.847 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.237 12.105 4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.641 10.795 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.016 11.521 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.304 12.241 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.515 11.905 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.269 13.400 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.270 13.452 4.177 1.00 0.00 H new ATOM 162 N PRO A 11 -0.896 14.734 2.759 1.00 0.00 N ATOM 163 CA PRO A 11 -1.371 15.583 1.665 1.00 0.00 C ATOM 164 C PRO A 11 -2.813 15.273 1.275 1.00 0.00 C ATOM 165 O PRO A 11 -3.518 14.556 1.985 1.00 0.00 O ATOM 166 CB PRO A 11 -0.421 15.240 0.518 1.00 0.00 C ATOM 167 CG PRO A 11 0.005 13.839 0.790 1.00 0.00 C ATOM 168 CD PRO A 11 0.039 13.694 2.288 1.00 0.00 C ATOM 0 HA PRO A 11 -1.372 16.639 1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.919 15.322 -0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.433 15.917 0.495 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.691 13.127 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.985 13.639 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.277 12.699 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.043 13.849 2.683 1.00 0.00 H new ATOM 176 N ALA A 12 -3.245 15.818 0.142 1.00 0.00 N ATOM 177 CA ALA A 12 -4.602 15.599 -0.343 1.00 0.00 C ATOM 178 C ALA A 12 -4.595 15.015 -1.751 1.00 0.00 C ATOM 179 O ALA A 12 -4.078 15.628 -2.685 1.00 0.00 O ATOM 180 CB ALA A 12 -5.389 16.900 -0.313 1.00 0.00 C ATOM 0 H ALA A 12 -2.674 16.415 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.085 14.879 0.317 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.401 16.722 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.433 17.275 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.898 17.637 -0.949 1.00 0.00 H new ATOM 186 N ALA A 13 -5.171 13.826 -1.897 1.00 0.00 N ATOM 187 CA ALA A 13 -5.230 13.160 -3.192 1.00 0.00 C ATOM 188 C ALA A 13 -6.144 11.940 -3.141 1.00 0.00 C ATOM 189 O ALA A 13 -6.290 11.305 -2.096 1.00 0.00 O ATOM 190 CB ALA A 13 -3.834 12.757 -3.642 1.00 0.00 C ATOM 0 H ALA A 13 -5.603 13.305 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.645 13.862 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.893 12.261 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.208 13.646 -3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.399 12.076 -2.911 1.00 0.00 H new ATOM 196 N GLU A 14 -6.756 11.618 -4.275 1.00 0.00 N ATOM 197 CA GLU A 14 -7.656 10.473 -4.360 1.00 0.00 C ATOM 198 C GLU A 14 -8.161 10.282 -5.786 1.00 0.00 C ATOM 199 O GLU A 14 -9.046 11.004 -6.245 1.00 0.00 O ATOM 200 CB GLU A 14 -8.840 10.657 -3.408 1.00 0.00 C ATOM 201 CG GLU A 14 -9.801 9.479 -3.399 1.00 0.00 C ATOM 202 CD GLU A 14 -11.084 9.780 -2.649 1.00 0.00 C ATOM 203 OE1 GLU A 14 -11.922 10.534 -3.186 1.00 0.00 O ATOM 204 OE2 GLU A 14 -11.250 9.262 -1.525 1.00 0.00 O1- ATOM 0 H GLU A 14 -6.646 12.133 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.099 9.583 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.462 10.815 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.385 11.558 -3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.041 9.202 -4.426 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.311 8.619 -2.943 1.00 0.00 H new ATOM 211 N GLU A 15 -7.592 9.303 -6.484 1.00 0.00 N ATOM 212 CA GLU A 15 -7.985 9.017 -7.859 1.00 0.00 C ATOM 213 C GLU A 15 -7.239 7.799 -8.395 1.00 0.00 C ATOM 214 O GLU A 15 -6.279 7.328 -7.785 1.00 0.00 O ATOM 215 CB GLU A 15 -7.714 10.229 -8.752 1.00 0.00 C ATOM 216 CG GLU A 15 -8.590 10.279 -9.992 1.00 0.00 C ATOM 217 CD GLU A 15 -9.006 11.690 -10.356 1.00 0.00 C ATOM 218 OE1 GLU A 15 -8.111 12.537 -10.567 1.00 0.00 O ATOM 219 OE2 GLU A 15 -10.225 11.950 -10.431 1.00 0.00 O1- ATOM 0 H GLU A 15 -6.858 8.695 -6.120 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.053 8.800 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.868 11.139 -8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.668 10.218 -9.057 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.053 9.835 -10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.481 9.673 -9.828 1.00 0.00 H new ATOM 226 N ALA A 16 -7.688 7.294 -9.539 1.00 0.00 N ATOM 227 CA ALA A 16 -7.064 6.131 -10.158 1.00 0.00 C ATOM 228 C ALA A 16 -6.817 6.366 -11.646 1.00 0.00 C ATOM 229 O ALA A 16 -7.510 7.162 -12.280 1.00 0.00 O ATOM 230 CB ALA A 16 -7.929 4.896 -9.953 1.00 0.00 C ATOM 0 H ALA A 16 -8.482 7.672 -10.056 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.099 5.969 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.451 4.035 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.049 4.709 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.907 5.058 -10.406 1.00 0.00 H new ATOM 236 N PRO A 17 -5.821 5.673 -12.225 1.00 0.00 N ATOM 237 CA PRO A 17 -5.486 5.811 -13.645 1.00 0.00 C ATOM 238 C PRO A 17 -6.540 5.185 -14.552 1.00 0.00 C ATOM 239 O PRO A 17 -6.728 3.968 -14.555 1.00 0.00 O ATOM 240 CB PRO A 17 -4.159 5.060 -13.771 1.00 0.00 C ATOM 241 CG PRO A 17 -4.186 4.059 -12.669 1.00 0.00 C ATOM 242 CD PRO A 17 -4.946 4.702 -11.541 1.00 0.00 C ATOM 0 HA PRO A 17 -5.431 6.856 -13.951 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.068 4.576 -14.744 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.310 5.736 -13.671 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.672 3.138 -12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.175 3.795 -12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.523 3.969 -10.977 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.277 5.193 -10.834 1.00 0.00 H new ATOM 499 N GLU A 36 -9.328 -1.054 -7.159 1.00 0.00 N ATOM 500 CA GLU A 36 -8.344 -1.438 -6.153 1.00 0.00 C ATOM 501 C GLU A 36 -8.949 -1.389 -4.752 1.00 0.00 C ATOM 502 O GLU A 36 -8.798 -0.399 -4.036 1.00 0.00 O ATOM 503 CB GLU A 36 -7.124 -0.518 -6.227 1.00 0.00 C ATOM 504 CG GLU A 36 -6.166 -0.868 -7.353 1.00 0.00 C ATOM 505 CD GLU A 36 -6.483 -0.129 -8.639 1.00 0.00 C ATOM 506 OE1 GLU A 36 -6.232 1.093 -8.698 1.00 0.00 O1- ATOM 507 OE2 GLU A 36 -6.983 -0.772 -9.585 1.00 0.00 O ATOM 0 HA GLU A 36 -8.032 -2.462 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.462 0.510 -6.355 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.588 -0.562 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.147 -0.633 -7.045 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.204 -1.942 -7.537 1.00 0.00 H new ATOM 514 N PRO A 37 -9.646 -2.463 -4.342 1.00 0.00 N ATOM 515 CA PRO A 37 -10.274 -2.538 -3.019 1.00 0.00 C ATOM 516 C PRO A 37 -9.297 -2.218 -1.894 1.00 0.00 C ATOM 517 O PRO A 37 -8.140 -1.878 -2.141 1.00 0.00 O ATOM 518 CB PRO A 37 -10.737 -3.994 -2.926 1.00 0.00 C ATOM 519 CG PRO A 37 -10.916 -4.426 -4.340 1.00 0.00 C ATOM 520 CD PRO A 37 -9.874 -3.687 -5.134 1.00 0.00 C ATOM 0 HA PRO A 37 -11.080 -1.812 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.000 -4.612 -2.414 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.668 -4.078 -2.366 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.789 -5.504 -4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.919 -4.190 -4.696 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.961 -4.272 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.224 -3.455 -6.140 1.00 0.00 H new ATOM 528 N ARG A 38 -9.769 -2.328 -0.656 1.00 0.00 N ATOM 529 CA ARG A 38 -8.936 -2.049 0.508 1.00 0.00 C ATOM 530 C ARG A 38 -9.173 -3.081 1.606 1.00 0.00 C ATOM 531 O ARG A 38 -9.902 -4.054 1.410 1.00 0.00 O ATOM 532 CB ARG A 38 -9.223 -0.644 1.041 1.00 0.00 C ATOM 533 CG ARG A 38 -10.641 -0.466 1.556 1.00 0.00 C ATOM 534 CD ARG A 38 -10.767 -0.907 3.006 1.00 0.00 C ATOM 535 NE ARG A 38 -11.897 -0.268 3.676 1.00 0.00 N ATOM 536 CZ ARG A 38 -13.170 -0.563 3.427 1.00 0.00 C ATOM 537 NH1 ARG A 38 -13.481 -1.485 2.524 1.00 0.00 N1+ ATOM 538 NH2 ARG A 38 -14.137 0.066 4.082 1.00 0.00 N ATOM 0 H ARG A 38 -10.724 -2.608 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.892 -2.107 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.523 -0.420 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.040 0.081 0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.933 0.580 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.329 -1.043 0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.886 -1.990 3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.847 -0.668 3.539 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.698 0.447 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.742 -1.972 2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.459 -1.707 2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.904 0.776 4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.113 -0.160 3.891 1.00 0.00 H new ATOM 552 N GLU A 39 -8.553 -2.862 2.761 1.00 0.00 N ATOM 553 CA GLU A 39 -8.697 -3.773 3.890 1.00 0.00 C ATOM 554 C GLU A 39 -8.861 -3.000 5.195 1.00 0.00 C ATOM 555 O GLU A 39 -8.867 -1.769 5.203 1.00 0.00 O ATOM 556 CB GLU A 39 -7.483 -4.700 3.982 1.00 0.00 C ATOM 557 CG GLU A 39 -6.152 -3.972 3.885 1.00 0.00 C ATOM 558 CD GLU A 39 -5.445 -3.868 5.222 1.00 0.00 C ATOM 559 OE1 GLU A 39 -5.631 -4.772 6.063 1.00 0.00 O ATOM 560 OE2 GLU A 39 -4.705 -2.883 5.427 1.00 0.00 O1- ATOM 0 H GLU A 39 -7.946 -2.062 2.939 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.593 -4.373 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.522 -5.244 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.541 -5.441 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.508 -4.494 3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.318 -2.971 3.487 1.00 0.00 H new ATOM 567 N HIS A 40 -8.993 -3.731 6.297 1.00 0.00 N ATOM 568 CA HIS A 40 -9.158 -3.115 7.608 1.00 0.00 C ATOM 569 C HIS A 40 -8.155 -3.687 8.609 1.00 0.00 C ATOM 570 O HIS A 40 -8.449 -4.657 9.308 1.00 0.00 O ATOM 571 CB HIS A 40 -10.584 -3.328 8.120 1.00 0.00 C ATOM 572 CG HIS A 40 -11.638 -2.932 7.134 1.00 0.00 C ATOM 573 ND1 HIS A 40 -12.493 -1.868 7.333 1.00 0.00 N ATOM 574 CD2 HIS A 40 -11.974 -3.462 5.934 1.00 0.00 C ATOM 575 CE1 HIS A 40 -13.310 -1.762 6.300 1.00 0.00 C ATOM 576 NE2 HIS A 40 -13.015 -2.717 5.437 1.00 0.00 N ATOM 0 H HIS A 40 -8.989 -4.751 6.308 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.972 -2.046 7.505 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.716 -4.379 8.378 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.722 -2.755 9.037 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -12.494 -1.258 8.150 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.510 -4.312 5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.087 -1.021 6.182 1.00 0.00 H new ATOM 585 N PRO A 41 -6.953 -3.091 8.690 1.00 0.00 N ATOM 586 CA PRO A 41 -5.907 -3.546 9.611 1.00 0.00 C ATOM 587 C PRO A 41 -6.256 -3.264 11.068 1.00 0.00 C ATOM 588 O PRO A 41 -7.106 -2.424 11.362 1.00 0.00 O ATOM 589 CB PRO A 41 -4.681 -2.734 9.188 1.00 0.00 C ATOM 590 CG PRO A 41 -5.240 -1.506 8.557 1.00 0.00 C ATOM 591 CD PRO A 41 -6.520 -1.928 7.892 1.00 0.00 C ATOM 0 HA PRO A 41 -5.759 -4.625 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.054 -2.488 10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.059 -3.291 8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.424 -0.733 9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.542 -1.088 7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -7.263 -1.131 7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.361 -2.194 6.847 1.00 0.00 H new ATOM 599 N ILE A 42 -5.594 -3.972 11.978 1.00 0.00 N ATOM 600 CA ILE A 42 -5.834 -3.798 13.405 1.00 0.00 C ATOM 601 C ILE A 42 -4.867 -2.780 14.003 1.00 0.00 C ATOM 602 O ILE A 42 -3.771 -2.570 13.484 1.00 0.00 O ATOM 603 CB ILE A 42 -5.701 -5.134 14.163 1.00 0.00 C ATOM 604 CG1 ILE A 42 -6.111 -4.963 15.628 1.00 0.00 C ATOM 605 CG2 ILE A 42 -4.278 -5.664 14.065 1.00 0.00 C ATOM 606 CD1 ILE A 42 -7.537 -4.487 15.805 1.00 0.00 C ATOM 0 H ILE A 42 -4.887 -4.672 11.752 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.854 -3.430 13.515 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.370 -5.860 13.701 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.987 -5.915 16.145 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.437 -4.251 16.105 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.203 -6.607 14.606 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.021 -5.824 13.018 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.589 -4.940 14.501 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.758 -4.388 16.868 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.661 -3.520 15.317 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.220 -5.209 15.358 1.00 0.00 H new ATOM 618 N MET A 43 -5.281 -2.150 15.099 1.00 0.00 N ATOM 619 CA MET A 43 -4.452 -1.153 15.770 1.00 0.00 C ATOM 620 C MET A 43 -3.086 -1.730 16.130 1.00 0.00 C ATOM 621 O MET A 43 -2.779 -2.876 15.803 1.00 0.00 O ATOM 622 CB MET A 43 -5.152 -0.647 17.032 1.00 0.00 C ATOM 623 CG MET A 43 -5.501 -1.751 18.016 1.00 0.00 C ATOM 624 SD MET A 43 -7.099 -1.494 18.811 1.00 0.00 S ATOM 625 CE MET A 43 -7.754 -3.161 18.803 1.00 0.00 C ATOM 0 H MET A 43 -6.186 -2.312 15.541 1.00 0.00 H new ATOM 0 HA MET A 43 -4.303 -0.320 15.083 1.00 0.00 H new ATOM 0 HB2 MET A 43 -4.509 0.080 17.528 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.065 -0.124 16.747 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.509 -2.708 17.494 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.725 -1.810 18.779 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.571 -3.228 18.084 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.966 -3.860 18.523 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.124 -3.411 19.797 1.00 0.00 H new ATOM 635 N GLY A 44 -2.270 -0.927 16.804 1.00 0.00 N ATOM 636 CA GLY A 44 -0.946 -1.374 17.197 1.00 0.00 C ATOM 637 C GLY A 44 0.097 -0.282 17.070 1.00 0.00 C ATOM 638 O GLY A 44 -0.222 0.851 16.710 1.00 0.00 O ATOM 0 H GLY A 44 -2.502 0.026 17.085 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.976 -1.725 18.228 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.655 -2.224 16.579 1.00 0.00 H new ATOM 642 N GLY A 45 1.347 -0.623 17.366 1.00 0.00 N ATOM 643 CA GLY A 45 2.422 0.348 17.276 1.00 0.00 C ATOM 644 C GLY A 45 3.351 0.079 16.109 1.00 0.00 C ATOM 645 O GLY A 45 3.077 -0.786 15.276 1.00 0.00 O ATOM 0 H GLY A 45 1.635 -1.554 17.667 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.997 1.347 17.175 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.996 0.337 18.203 1.00 0.00 H new ATOM 649 N ILE A 46 4.451 0.821 16.047 1.00 0.00 N ATOM 650 CA ILE A 46 5.423 0.659 14.973 1.00 0.00 C ATOM 651 C ILE A 46 6.362 -0.510 15.254 1.00 0.00 C ATOM 652 O ILE A 46 7.504 -0.317 15.673 1.00 0.00 O ATOM 653 CB ILE A 46 6.258 1.938 14.772 1.00 0.00 C ATOM 654 CG1 ILE A 46 5.345 3.162 14.687 1.00 0.00 C ATOM 655 CG2 ILE A 46 7.114 1.820 13.519 1.00 0.00 C ATOM 656 CD1 ILE A 46 4.384 3.119 13.519 1.00 0.00 C ATOM 0 H ILE A 46 4.692 1.541 16.728 1.00 0.00 H new ATOM 0 HA ILE A 46 4.858 0.457 14.063 1.00 0.00 H new ATOM 0 HB ILE A 46 6.919 2.061 15.630 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.776 3.245 15.613 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.959 4.059 14.609 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.698 2.731 13.390 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.787 0.968 13.617 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.471 1.676 12.651 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.768 4.018 13.521 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.946 3.067 12.587 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.744 2.241 13.606 1.00 0.00 H new ATOM 668 N TYR A 47 5.874 -1.724 15.019 1.00 0.00 N ATOM 669 CA TYR A 47 6.669 -2.925 15.247 1.00 0.00 C ATOM 670 C TYR A 47 5.894 -4.175 14.842 1.00 0.00 C ATOM 671 O TYR A 47 6.455 -5.104 14.261 1.00 0.00 O ATOM 672 CB TYR A 47 7.079 -3.020 16.718 1.00 0.00 C ATOM 673 CG TYR A 47 8.354 -3.801 16.942 1.00 0.00 C ATOM 674 CD1 TYR A 47 8.330 -5.184 17.075 1.00 0.00 C ATOM 675 CD2 TYR A 47 9.582 -3.156 17.020 1.00 0.00 C ATOM 676 CE1 TYR A 47 9.493 -5.902 17.280 1.00 0.00 C ATOM 677 CE2 TYR A 47 10.750 -3.867 17.225 1.00 0.00 C ATOM 678 CZ TYR A 47 10.700 -5.238 17.354 1.00 0.00 C ATOM 679 OH TYR A 47 11.860 -5.949 17.558 1.00 0.00 O ATOM 0 H TYR A 47 4.932 -1.902 14.671 1.00 0.00 H new ATOM 0 HA TYR A 47 7.566 -2.859 14.631 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.204 -2.014 17.117 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.272 -3.488 17.282 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.387 -5.707 17.017 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.625 -2.082 16.919 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.457 -6.977 17.382 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.697 -3.350 17.284 1.00 0.00 H new ATOM 0 HH TYR A 47 12.621 -5.332 17.584 1.00 0.00 H new ATOM 689 N ASP A 48 4.602 -4.190 15.153 1.00 0.00 N ATOM 690 CA ASP A 48 3.750 -5.326 14.822 1.00 0.00 C ATOM 691 C ASP A 48 3.687 -5.538 13.313 1.00 0.00 C ATOM 692 O ASP A 48 3.734 -4.581 12.539 1.00 0.00 O ATOM 693 CB ASP A 48 2.340 -5.112 15.377 1.00 0.00 C ATOM 694 CG ASP A 48 2.351 -4.680 16.830 1.00 0.00 C ATOM 695 OD1 ASP A 48 2.721 -5.505 17.692 1.00 0.00 O ATOM 696 OD2 ASP A 48 1.989 -3.517 17.107 1.00 0.00 O1- ATOM 0 H ASP A 48 4.122 -3.429 15.633 1.00 0.00 H new ATOM 0 HA ASP A 48 4.182 -6.217 15.278 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.828 -4.357 14.780 1.00 0.00 H new ATOM 0 HB3 ASP A 48 1.770 -6.036 15.280 1.00 0.00 H new ATOM 701 N ALA A 49 3.579 -6.797 12.901 1.00 0.00 N ATOM 702 CA ALA A 49 3.509 -7.134 11.484 1.00 0.00 C ATOM 703 C ALA A 49 2.980 -8.553 11.280 1.00 0.00 C ATOM 704 O ALA A 49 3.598 -9.361 10.587 1.00 0.00 O ATOM 705 CB ALA A 49 4.879 -6.979 10.839 1.00 0.00 C ATOM 0 H ALA A 49 3.538 -7.600 13.528 1.00 0.00 H new ATOM 0 HA ALA A 49 2.813 -6.445 11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.814 -7.233 9.781 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.216 -5.948 10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.589 -7.645 11.329 1.00 0.00 H new ATOM 711 N PRO A 50 1.823 -8.876 11.884 1.00 0.00 N ATOM 712 CA PRO A 50 1.215 -10.203 11.765 1.00 0.00 C ATOM 713 C PRO A 50 0.514 -10.402 10.427 1.00 0.00 C ATOM 714 O PRO A 50 0.467 -11.512 9.896 1.00 0.00 O ATOM 715 CB PRO A 50 0.203 -10.222 12.907 1.00 0.00 C ATOM 716 CG PRO A 50 -0.199 -8.797 13.072 1.00 0.00 C ATOM 717 CD PRO A 50 1.016 -7.975 12.732 1.00 0.00 C ATOM 0 HA PRO A 50 1.956 -11.001 11.816 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.654 -10.851 12.667 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.644 -10.619 13.822 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.033 -8.549 12.415 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.528 -8.601 14.092 1.00 0.00 H new ATOM 0 HD2 PRO A 50 0.746 -7.062 12.202 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.560 -7.675 13.628 1.00 0.00 H new ATOM 725 N LEU A 51 -0.032 -9.319 9.888 1.00 0.00 N ATOM 726 CA LEU A 51 -0.736 -9.368 8.611 1.00 0.00 C ATOM 727 C LEU A 51 -1.883 -10.373 8.659 1.00 0.00 C ATOM 728 O LEU A 51 -1.706 -11.548 8.336 1.00 0.00 O ATOM 729 CB LEU A 51 0.232 -9.732 7.483 1.00 0.00 C ATOM 730 CG LEU A 51 -0.003 -8.992 6.165 1.00 0.00 C ATOM 731 CD1 LEU A 51 1.210 -9.119 5.257 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.248 -9.524 5.471 1.00 0.00 C ATOM 0 H LEU A 51 -0.001 -8.394 10.316 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.152 -8.379 8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.249 -9.531 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.163 -10.804 7.298 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.156 -7.936 6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.024 -8.586 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.081 -8.690 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.395 -10.172 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.401 -8.987 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.123 -10.587 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.114 -9.380 6.117 1.00 0.00 H new ATOM 744 N ASN A 52 -3.058 -9.903 9.064 1.00 0.00 N ATOM 745 CA ASN A 52 -4.234 -10.762 9.155 1.00 0.00 C ATOM 746 C ASN A 52 -4.864 -10.969 7.782 1.00 0.00 C ATOM 747 O ASN A 52 -5.450 -12.017 7.509 1.00 0.00 O ATOM 748 CB ASN A 52 -5.261 -10.155 10.114 1.00 0.00 C ATOM 749 CG ASN A 52 -5.049 -10.603 11.546 1.00 0.00 C ATOM 750 OD1 ASN A 52 -4.290 -9.988 12.295 1.00 0.00 O ATOM 751 ND2 ASN A 52 -5.720 -11.681 11.935 1.00 0.00 N ATOM 0 H ASN A 52 -3.222 -8.933 9.334 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.916 -11.732 9.539 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.203 -9.068 10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.264 -10.436 9.793 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.617 -12.030 12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.339 -12.160 11.281 1.00 0.00 H new ATOM 758 N ASN A 53 -4.740 -9.965 6.921 1.00 0.00 N ATOM 759 CA ASN A 53 -5.298 -10.038 5.576 1.00 0.00 C ATOM 760 C ASN A 53 -4.316 -10.700 4.613 1.00 0.00 C ATOM 761 O ASN A 53 -3.807 -10.062 3.691 1.00 0.00 O ATOM 762 CB ASN A 53 -5.661 -8.639 5.075 1.00 0.00 C ATOM 763 CG ASN A 53 -7.119 -8.298 5.318 1.00 0.00 C ATOM 764 OD1 ASN A 53 -8.018 -8.967 4.807 1.00 0.00 O ATOM 765 ND2 ASN A 53 -7.360 -7.253 6.100 1.00 0.00 N ATOM 0 H ASN A 53 -4.258 -9.091 7.131 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.202 -10.646 5.617 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.031 -7.903 5.573 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.448 -8.571 4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.321 -6.976 6.299 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.584 -6.727 6.502 1.00 0.00 H new ATOM 772 N GLU A 54 -4.054 -11.985 4.834 1.00 0.00 N ATOM 773 CA GLU A 54 -3.134 -12.734 3.986 1.00 0.00 C ATOM 774 C GLU A 54 -3.888 -13.670 3.044 1.00 0.00 C ATOM 775 O GLU A 54 -3.305 -14.598 2.482 1.00 0.00 O ATOM 776 CB GLU A 54 -2.157 -13.538 4.846 1.00 0.00 C ATOM 777 CG GLU A 54 -1.214 -12.674 5.666 1.00 0.00 C ATOM 778 CD GLU A 54 -0.512 -13.453 6.761 1.00 0.00 C ATOM 779 OE1 GLU A 54 -1.211 -14.018 7.629 1.00 0.00 O ATOM 780 OE2 GLU A 54 0.736 -13.500 6.750 1.00 0.00 O1- ATOM 0 H GLU A 54 -4.466 -12.528 5.593 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.577 -12.018 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.723 -14.182 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.569 -14.190 4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.469 -12.230 5.007 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.775 -11.853 6.112 1.00 0.00 H new ATOM 787 N ASN A 55 -5.184 -13.425 2.874 1.00 0.00 N ATOM 788 CA ASN A 55 -6.008 -14.250 1.998 1.00 0.00 C ATOM 789 C ASN A 55 -5.518 -14.169 0.556 1.00 0.00 C ATOM 790 O ASN A 55 -5.640 -15.128 -0.206 1.00 0.00 O ATOM 791 CB ASN A 55 -7.472 -13.811 2.077 1.00 0.00 C ATOM 792 CG ASN A 55 -7.634 -12.310 1.932 1.00 0.00 C ATOM 793 OD1 ASN A 55 -7.555 -11.769 0.829 1.00 0.00 O ATOM 794 ND2 ASN A 55 -7.861 -11.629 3.049 1.00 0.00 N ATOM 0 H ASN A 55 -5.685 -12.663 3.331 1.00 0.00 H new ATOM 0 HA ASN A 55 -5.928 -15.284 2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.042 -14.312 1.295 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.893 -14.129 3.031 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.978 -10.616 3.014 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.919 -12.119 3.942 1.00 0.00 H new ATOM 801 N GLY A 56 -4.964 -13.018 0.189 1.00 0.00 N ATOM 802 CA GLY A 56 -4.463 -12.833 -1.161 1.00 0.00 C ATOM 803 C GLY A 56 -5.126 -11.668 -1.870 1.00 0.00 C ATOM 804 O GLY A 56 -4.449 -10.812 -2.440 1.00 0.00 O ATOM 0 H GLY A 56 -4.853 -12.210 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.386 -12.668 -1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.628 -13.745 -1.735 1.00 0.00 H new ATOM 808 N PHE A 57 -6.454 -11.636 -1.835 1.00 0.00 N ATOM 809 CA PHE A 57 -7.209 -10.567 -2.479 1.00 0.00 C ATOM 810 C PHE A 57 -6.995 -9.241 -1.758 1.00 0.00 C ATOM 811 O PHE A 57 -6.918 -8.185 -2.387 1.00 0.00 O ATOM 812 CB PHE A 57 -8.699 -10.912 -2.506 1.00 0.00 C ATOM 813 CG PHE A 57 -8.994 -12.254 -3.112 1.00 0.00 C ATOM 814 CD1 PHE A 57 -8.592 -12.548 -4.405 1.00 0.00 C ATOM 815 CD2 PHE A 57 -9.673 -13.222 -2.389 1.00 0.00 C ATOM 816 CE1 PHE A 57 -8.861 -13.783 -4.965 1.00 0.00 C ATOM 817 CE2 PHE A 57 -9.945 -14.458 -2.944 1.00 0.00 C ATOM 818 CZ PHE A 57 -9.539 -14.738 -4.234 1.00 0.00 C ATOM 0 H PHE A 57 -7.029 -12.337 -1.368 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.848 -10.466 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.087 -10.889 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.231 -10.144 -3.067 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.063 -11.804 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.993 -13.008 -1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -8.541 -14.001 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.474 -15.204 -2.370 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.752 -15.703 -4.670 1.00 0.00 H new ATOM 828 N ASP A 58 -6.899 -9.302 -0.433 1.00 0.00 N ATOM 829 CA ASP A 58 -6.693 -8.106 0.375 1.00 0.00 C ATOM 830 C ASP A 58 -5.269 -7.583 0.218 1.00 0.00 C ATOM 831 O ASP A 58 -5.055 -6.386 0.028 1.00 0.00 O ATOM 832 CB ASP A 58 -6.980 -8.404 1.847 1.00 0.00 C ATOM 833 CG ASP A 58 -8.446 -8.237 2.195 1.00 0.00 C ATOM 834 OD1 ASP A 58 -8.875 -7.086 2.424 1.00 0.00 O1- ATOM 835 OD2 ASP A 58 -9.166 -9.257 2.240 1.00 0.00 O ATOM 0 H ASP A 58 -6.961 -10.167 0.103 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.384 -7.338 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.669 -9.423 2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.383 -7.740 2.472 1.00 0.00 H new ATOM 840 N LYS A 59 -4.299 -8.487 0.299 1.00 0.00 N ATOM 841 CA LYS A 59 -2.895 -8.116 0.166 1.00 0.00 C ATOM 842 C LYS A 59 -2.610 -7.558 -1.226 1.00 0.00 C ATOM 843 O LYS A 59 -1.886 -6.574 -1.375 1.00 0.00 O ATOM 844 CB LYS A 59 -1.996 -9.324 0.445 1.00 0.00 C ATOM 845 CG LYS A 59 -2.011 -10.369 -0.659 1.00 0.00 C ATOM 846 CD LYS A 59 -1.039 -11.501 -0.369 1.00 0.00 C ATOM 847 CE LYS A 59 0.313 -11.254 -1.016 1.00 0.00 C ATOM 848 NZ LYS A 59 1.400 -12.018 -0.343 1.00 0.00 N1+ ATOM 0 H LYS A 59 -4.459 -9.482 0.456 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.678 -7.339 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.973 -8.978 0.590 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.310 -9.791 1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.018 -10.772 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.752 -9.900 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.914 -11.607 0.709 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.453 -12.440 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.269 -11.536 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.543 -10.189 -0.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.308 -11.808 -0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.449 -11.743 0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.203 -13.037 -0.413 1.00 0.00 H new ATOM 862 N GLU A 60 -3.185 -8.195 -2.241 1.00 0.00 N ATOM 863 CA GLU A 60 -2.993 -7.765 -3.621 1.00 0.00 C ATOM 864 C GLU A 60 -3.681 -6.428 -3.876 1.00 0.00 C ATOM 865 O GLU A 60 -3.079 -5.504 -4.423 1.00 0.00 O ATOM 866 CB GLU A 60 -3.532 -8.821 -4.586 1.00 0.00 C ATOM 867 CG GLU A 60 -2.771 -10.136 -4.537 1.00 0.00 C ATOM 868 CD GLU A 60 -1.804 -10.293 -5.694 1.00 0.00 C ATOM 869 OE1 GLU A 60 -2.271 -10.401 -6.848 1.00 0.00 O ATOM 870 OE2 GLU A 60 -0.580 -10.307 -5.447 1.00 0.00 O1- ATOM 0 H GLU A 60 -3.788 -9.011 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.923 -7.640 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.581 -9.009 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.494 -8.426 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.221 -10.199 -3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.481 -10.963 -4.547 1.00 0.00 H new ATOM 877 N ASP A 61 -4.945 -6.331 -3.475 1.00 0.00 N ATOM 878 CA ASP A 61 -5.713 -5.105 -3.660 1.00 0.00 C ATOM 879 C ASP A 61 -5.019 -3.922 -2.993 1.00 0.00 C ATOM 880 O ASP A 61 -4.933 -2.836 -3.566 1.00 0.00 O ATOM 881 CB ASP A 61 -7.123 -5.271 -3.090 1.00 0.00 C ATOM 882 CG ASP A 61 -7.985 -6.186 -3.937 1.00 0.00 C ATOM 883 OD1 ASP A 61 -7.770 -6.234 -5.167 1.00 0.00 O1- ATOM 884 OD2 ASP A 61 -8.875 -6.855 -3.371 1.00 0.00 O ATOM 0 H ASP A 61 -5.458 -7.086 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.781 -4.907 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.058 -5.671 -2.078 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.599 -4.293 -3.016 1.00 0.00 H new ATOM 889 N LEU A 62 -4.523 -4.142 -1.780 1.00 0.00 N ATOM 890 CA LEU A 62 -3.833 -3.097 -1.034 1.00 0.00 C ATOM 891 C LEU A 62 -2.533 -2.702 -1.728 1.00 0.00 C ATOM 892 O LEU A 62 -2.293 -1.524 -1.996 1.00 0.00 O ATOM 893 CB LEU A 62 -3.547 -3.568 0.394 1.00 0.00 C ATOM 894 CG LEU A 62 -2.678 -2.629 1.236 1.00 0.00 C ATOM 895 CD1 LEU A 62 -3.097 -1.178 1.043 1.00 0.00 C ATOM 896 CD2 LEU A 62 -2.759 -3.014 2.704 1.00 0.00 C ATOM 0 H LEU A 62 -4.586 -5.036 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.480 -2.221 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.498 -3.713 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.059 -4.541 0.346 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.645 -2.729 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.464 -0.532 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.990 -0.905 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.137 -1.056 1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.137 -2.339 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.793 -2.942 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.406 -4.037 2.832 1.00 0.00 H new ATOM 908 N ALA A 63 -1.695 -3.693 -2.016 1.00 0.00 N ATOM 909 CA ALA A 63 -0.418 -3.449 -2.680 1.00 0.00 C ATOM 910 C ALA A 63 -0.611 -2.664 -3.974 1.00 0.00 C ATOM 911 O ALA A 63 0.001 -1.614 -4.171 1.00 0.00 O ATOM 912 CB ALA A 63 0.291 -4.766 -2.959 1.00 0.00 C ATOM 0 H ALA A 63 -1.877 -4.673 -1.800 1.00 0.00 H new ATOM 0 HA ALA A 63 0.201 -2.849 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.242 -4.570 -3.454 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.472 -5.288 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.333 -5.386 -3.603 1.00 0.00 H new ATOM 918 N ARG A 64 -1.466 -3.178 -4.851 1.00 0.00 N ATOM 919 CA ARG A 64 -1.740 -2.524 -6.125 1.00 0.00 C ATOM 920 C ARG A 64 -2.362 -1.149 -5.904 1.00 0.00 C ATOM 921 O ARG A 64 -2.087 -0.205 -6.646 1.00 0.00 O ATOM 922 CB ARG A 64 -2.673 -3.388 -6.976 1.00 0.00 C ATOM 923 CG ARG A 64 -2.452 -3.230 -8.472 1.00 0.00 C ATOM 924 CD ARG A 64 -2.762 -1.816 -8.935 1.00 0.00 C ATOM 925 NE ARG A 64 -3.399 -1.798 -10.250 1.00 0.00 N ATOM 926 CZ ARG A 64 -2.791 -2.172 -11.373 1.00 0.00 C ATOM 927 NH1 ARG A 64 -1.532 -2.592 -11.346 1.00 0.00 N1+ ATOM 928 NH2 ARG A 64 -3.442 -2.125 -12.527 1.00 0.00 N ATOM 0 H ARG A 64 -1.981 -4.046 -4.703 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.794 -2.397 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.533 -4.435 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.706 -3.133 -6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.418 -3.475 -8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -3.083 -3.937 -9.011 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.415 -1.332 -8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -1.840 -1.236 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.366 -1.480 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.026 -2.629 -10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.071 -2.877 -12.210 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.409 -1.802 -12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.976 -2.412 -13.388 1.00 0.00 H new ATOM 942 N PHE A 65 -3.201 -1.043 -4.879 1.00 0.00 N ATOM 943 CA PHE A 65 -3.862 0.216 -4.556 1.00 0.00 C ATOM 944 C PHE A 65 -2.838 1.311 -4.276 1.00 0.00 C ATOM 945 O PHE A 65 -2.838 2.355 -4.927 1.00 0.00 O ATOM 946 CB PHE A 65 -4.782 0.036 -3.346 1.00 0.00 C ATOM 947 CG PHE A 65 -5.470 1.301 -2.916 1.00 0.00 C ATOM 948 CD1 PHE A 65 -6.379 1.930 -3.752 1.00 0.00 C ATOM 949 CD2 PHE A 65 -5.207 1.860 -1.676 1.00 0.00 C ATOM 950 CE1 PHE A 65 -7.012 3.093 -3.359 1.00 0.00 C ATOM 951 CE2 PHE A 65 -5.837 3.023 -1.278 1.00 0.00 C ATOM 952 CZ PHE A 65 -6.741 3.641 -2.120 1.00 0.00 C ATOM 0 H PHE A 65 -3.440 -1.815 -4.257 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.460 0.517 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.536 -0.715 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.198 -0.351 -2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.595 1.506 -4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.502 1.381 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.718 3.574 -4.020 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.623 3.449 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.235 4.550 -1.811 1.00 0.00 H new ATOM 962 N ALA A 66 -1.965 1.066 -3.303 1.00 0.00 N ATOM 963 CA ALA A 66 -0.936 2.032 -2.939 1.00 0.00 C ATOM 964 C ALA A 66 -0.004 2.308 -4.114 1.00 0.00 C ATOM 965 O ALA A 66 0.195 3.459 -4.508 1.00 0.00 O ATOM 966 CB ALA A 66 -0.143 1.532 -1.740 1.00 0.00 C ATOM 0 H ALA A 66 -1.950 0.207 -2.753 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.428 2.967 -2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.622 2.263 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.814 1.391 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.332 0.583 -1.988 1.00 0.00 H new ATOM 972 N VAL A 67 0.566 1.244 -4.674 1.00 0.00 N ATOM 973 CA VAL A 67 1.477 1.371 -5.805 1.00 0.00 C ATOM 974 C VAL A 67 0.857 2.211 -6.918 1.00 0.00 C ATOM 975 O VAL A 67 1.451 3.184 -7.380 1.00 0.00 O ATOM 976 CB VAL A 67 1.866 -0.009 -6.373 1.00 0.00 C ATOM 977 CG1 VAL A 67 2.879 0.140 -7.499 1.00 0.00 C ATOM 978 CG2 VAL A 67 2.412 -0.908 -5.273 1.00 0.00 C ATOM 0 H VAL A 67 0.412 0.285 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 67 2.374 1.868 -5.435 1.00 0.00 H new ATOM 0 HB VAL A 67 0.969 -0.476 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.140 -0.845 -7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.448 0.742 -8.299 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.775 0.630 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.680 -1.877 -5.695 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.295 -0.447 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.652 -1.045 -4.504 1.00 0.00 H new ATOM 988 N ARG A 68 -0.343 1.828 -7.339 1.00 0.00 N ATOM 989 CA ARG A 68 -1.047 2.546 -8.393 1.00 0.00 C ATOM 990 C ARG A 68 -1.445 3.943 -7.925 1.00 0.00 C ATOM 991 O ARG A 68 -1.543 4.871 -8.727 1.00 0.00 O ATOM 992 CB ARG A 68 -2.289 1.763 -8.827 1.00 0.00 C ATOM 993 CG ARG A 68 -3.129 2.478 -9.874 1.00 0.00 C ATOM 994 CD ARG A 68 -3.976 1.499 -10.671 1.00 0.00 C ATOM 995 NE ARG A 68 -3.363 1.163 -11.954 1.00 0.00 N ATOM 996 CZ ARG A 68 -4.028 0.628 -12.975 1.00 0.00 C ATOM 997 NH1 ARG A 68 -5.325 0.367 -12.868 1.00 0.00 N1+ ATOM 998 NH2 ARG A 68 -3.394 0.353 -14.107 1.00 0.00 N ATOM 0 H ARG A 68 -0.848 1.024 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.375 2.647 -9.245 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.978 0.796 -9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.907 1.565 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.776 3.208 -9.387 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.477 3.031 -10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.122 0.589 -10.089 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.963 1.929 -10.842 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.367 1.349 -12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.817 0.577 -12.000 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.829 -0.043 -13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.397 0.552 -14.195 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.903 -0.057 -14.890 1.00 0.00 H new ATOM 1012 N GLU A 69 -1.670 4.086 -6.623 1.00 0.00 N ATOM 1013 CA GLU A 69 -2.055 5.371 -6.050 1.00 0.00 C ATOM 1014 C GLU A 69 -0.940 6.397 -6.223 1.00 0.00 C ATOM 1015 O GLU A 69 -1.196 7.561 -6.529 1.00 0.00 O ATOM 1016 CB GLU A 69 -2.393 5.212 -4.566 1.00 0.00 C ATOM 1017 CG GLU A 69 -2.807 6.511 -3.893 1.00 0.00 C ATOM 1018 CD GLU A 69 -3.997 7.164 -4.570 1.00 0.00 C ATOM 1019 OE1 GLU A 69 -4.774 6.443 -5.229 1.00 0.00 O1- ATOM 1020 OE2 GLU A 69 -4.150 8.397 -4.441 1.00 0.00 O ATOM 0 H GLU A 69 -1.592 3.328 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.939 5.727 -6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.199 4.486 -4.461 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.526 4.804 -4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.051 6.314 -2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.965 7.203 -3.899 1.00 0.00 H new ATOM 1027 N TYR A 70 0.297 5.957 -6.024 1.00 0.00 N ATOM 1028 CA TYR A 70 1.451 6.840 -6.159 1.00 0.00 C ATOM 1029 C TYR A 70 2.008 6.804 -7.584 1.00 0.00 C ATOM 1030 O TYR A 70 2.727 7.711 -8.002 1.00 0.00 O ATOM 1031 CB TYR A 70 2.536 6.451 -5.146 1.00 0.00 C ATOM 1032 CG TYR A 70 3.580 5.494 -5.685 1.00 0.00 C ATOM 1033 CD1 TYR A 70 4.691 5.965 -6.374 1.00 0.00 C ATOM 1034 CD2 TYR A 70 3.451 4.123 -5.507 1.00 0.00 C ATOM 1035 CE1 TYR A 70 5.644 5.096 -6.869 1.00 0.00 C ATOM 1036 CE2 TYR A 70 4.400 3.247 -5.999 1.00 0.00 C ATOM 1037 CZ TYR A 70 5.494 3.739 -6.679 1.00 0.00 C ATOM 1038 OH TYR A 70 6.442 2.870 -7.171 1.00 0.00 O ATOM 0 H TYR A 70 0.527 4.997 -5.769 1.00 0.00 H new ATOM 0 HA TYR A 70 1.127 7.860 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.035 7.356 -4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.059 5.998 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.811 7.028 -6.525 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.595 3.735 -4.975 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.502 5.478 -7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.285 2.183 -5.852 1.00 0.00 H new ATOM 0 HH TYR A 70 6.703 2.239 -6.468 1.00 0.00 H new ATOM 1048 N ASN A 71 1.680 5.746 -8.320 1.00 0.00 N ATOM 1049 CA ASN A 71 2.156 5.590 -9.690 1.00 0.00 C ATOM 1050 C ASN A 71 1.260 6.323 -10.686 1.00 0.00 C ATOM 1051 O ASN A 71 1.694 6.660 -11.788 1.00 0.00 O ATOM 1052 CB ASN A 71 2.231 4.106 -10.055 1.00 0.00 C ATOM 1053 CG ASN A 71 3.517 3.458 -9.577 1.00 0.00 C ATOM 1054 OD1 ASN A 71 3.509 2.642 -8.656 1.00 0.00 O ATOM 1055 ND2 ASN A 71 4.630 3.821 -10.204 1.00 0.00 N ATOM 0 H ASN A 71 1.087 4.985 -7.990 1.00 0.00 H new ATOM 0 HA ASN A 71 3.151 6.031 -9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.380 3.584 -9.618 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.152 3.996 -11.137 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.526 3.419 -9.927 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.589 4.501 -10.963 1.00 0.00 H new ATOM 1062 N ASN A 72 0.010 6.563 -10.302 1.00 0.00 N ATOM 1063 CA ASN A 72 -0.935 7.249 -11.178 1.00 0.00 C ATOM 1064 C ASN A 72 -0.785 8.766 -11.078 1.00 0.00 C ATOM 1065 O ASN A 72 -0.942 9.481 -12.068 1.00 0.00 O ATOM 1066 CB ASN A 72 -2.373 6.832 -10.844 1.00 0.00 C ATOM 1067 CG ASN A 72 -2.973 7.628 -9.698 1.00 0.00 C ATOM 1068 OD1 ASN A 72 -2.812 7.127 -8.480 1.00 0.00 O flip ATOM 1069 ND2 ASN A 72 -3.573 8.682 -9.907 1.00 0.00 N flip ATOM 0 H ASN A 72 -0.371 6.294 -9.395 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.712 6.957 -12.204 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.996 6.956 -11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.388 5.772 -10.589 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -3.674 9.031 -10.860 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.970 9.206 -9.127 1.00 0.00 H new ATOM 1076 N LYS A 73 -0.490 9.253 -9.875 1.00 0.00 N ATOM 1077 CA LYS A 73 -0.332 10.688 -9.648 1.00 0.00 C ATOM 1078 C LYS A 73 0.624 11.312 -10.660 1.00 0.00 C ATOM 1079 O LYS A 73 0.341 12.369 -11.223 1.00 0.00 O ATOM 1080 CB LYS A 73 0.166 10.963 -8.227 1.00 0.00 C ATOM 1081 CG LYS A 73 1.185 9.956 -7.726 1.00 0.00 C ATOM 1082 CD LYS A 73 1.959 10.497 -6.535 1.00 0.00 C ATOM 1083 CE LYS A 73 3.330 9.850 -6.419 1.00 0.00 C ATOM 1084 NZ LYS A 73 4.188 10.544 -5.419 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.356 8.677 -9.044 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.313 11.145 -9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.608 11.959 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.687 10.970 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.678 9.033 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.878 9.707 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.073 11.577 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.393 10.318 -5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.215 8.804 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.822 9.864 -7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.114 10.073 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.319 11.536 -5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.731 10.508 -4.485 1.00 0.00 H new ATOM 1098 N ASN A 74 1.761 10.660 -10.881 1.00 0.00 N ATOM 1099 CA ASN A 74 2.754 11.164 -11.814 1.00 0.00 C ATOM 1100 C ASN A 74 3.933 10.202 -11.951 1.00 0.00 C ATOM 1101 O ASN A 74 4.539 10.099 -13.017 1.00 0.00 O ATOM 1102 CB ASN A 74 3.242 12.534 -11.353 1.00 0.00 C ATOM 1103 CG ASN A 74 3.453 12.608 -9.852 1.00 0.00 C ATOM 1104 OD1 ASN A 74 4.493 11.944 -9.364 1.00 0.00 O flip ATOM 1105 ND2 ASN A 74 2.687 13.256 -9.138 1.00 0.00 N flip ATOM 0 H ASN A 74 2.014 9.783 -10.426 1.00 0.00 H new ATOM 0 HA ASN A 74 2.286 11.254 -12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.178 12.771 -11.859 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.518 13.292 -11.651 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.899 13.752 -9.554 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.841 13.297 -8.130 1.00 0.00 H new ATOM 1112 N ASN A 75 4.258 9.501 -10.866 1.00 0.00 N ATOM 1113 CA ASN A 75 5.369 8.552 -10.870 1.00 0.00 C ATOM 1114 C ASN A 75 5.291 7.613 -12.071 1.00 0.00 C ATOM 1115 O ASN A 75 4.315 7.625 -12.820 1.00 0.00 O ATOM 1116 CB ASN A 75 5.377 7.741 -9.572 1.00 0.00 C ATOM 1117 CG ASN A 75 6.766 7.611 -8.980 1.00 0.00 C ATOM 1118 OD1 ASN A 75 7.442 6.511 -9.292 1.00 0.00 O flip ATOM 1119 ND2 ASN A 75 7.228 8.489 -8.251 1.00 0.00 N flip ATOM 0 H ASN A 75 3.768 9.572 -9.974 1.00 0.00 H new ATOM 0 HA ASN A 75 6.296 9.121 -10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.719 8.217 -8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 75 4.973 6.747 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.674 9.318 -8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.165 8.387 -7.861 1.00 0.00 H new ATOM 1126 N ALA A 76 6.329 6.801 -12.247 1.00 0.00 N ATOM 1127 CA ALA A 76 6.383 5.855 -13.357 1.00 0.00 C ATOM 1128 C ALA A 76 5.194 4.901 -13.327 1.00 0.00 C ATOM 1129 O ALA A 76 4.300 5.032 -12.491 1.00 0.00 O ATOM 1130 CB ALA A 76 7.689 5.075 -13.320 1.00 0.00 C ATOM 0 H ALA A 76 7.145 6.779 -11.635 1.00 0.00 H new ATOM 0 HA ALA A 76 6.335 6.422 -14.287 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.717 4.373 -14.153 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.528 5.766 -13.400 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.759 4.527 -12.381 1.00 0.00 H new ATOM 1136 N LEU A 77 5.191 3.940 -14.246 1.00 0.00 N ATOM 1137 CA LEU A 77 4.113 2.962 -14.327 1.00 0.00 C ATOM 1138 C LEU A 77 4.655 1.543 -14.190 1.00 0.00 C ATOM 1139 O LEU A 77 4.946 0.879 -15.185 1.00 0.00 O ATOM 1140 CB LEU A 77 3.360 3.110 -15.651 1.00 0.00 C ATOM 1141 CG LEU A 77 1.840 2.969 -15.552 1.00 0.00 C ATOM 1142 CD1 LEU A 77 1.468 1.659 -14.874 1.00 0.00 C ATOM 1143 CD2 LEU A 77 1.245 4.149 -14.798 1.00 0.00 C ATOM 0 H LEU A 77 5.924 3.818 -14.945 1.00 0.00 H new ATOM 0 HA LEU A 77 3.423 3.148 -13.504 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.592 4.087 -16.076 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.734 2.362 -16.350 1.00 0.00 H new ATOM 0 HG LEU A 77 1.428 2.961 -16.561 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.383 1.576 -14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.863 0.824 -15.453 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.891 1.636 -13.870 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.163 4.033 -14.736 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.664 4.187 -13.792 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.482 5.074 -15.324 1.00 0.00 H new ATOM 1155 N LEU A 78 4.789 1.084 -12.950 1.00 0.00 N ATOM 1156 CA LEU A 78 5.296 -0.257 -12.679 1.00 0.00 C ATOM 1157 C LEU A 78 4.171 -1.178 -12.218 1.00 0.00 C ATOM 1158 O LEU A 78 3.010 -0.774 -12.161 1.00 0.00 O ATOM 1159 CB LEU A 78 6.400 -0.206 -11.620 1.00 0.00 C ATOM 1160 CG LEU A 78 6.202 0.844 -10.524 1.00 0.00 C ATOM 1161 CD1 LEU A 78 4.928 0.563 -9.742 1.00 0.00 C ATOM 1162 CD2 LEU A 78 7.406 0.879 -9.594 1.00 0.00 C ATOM 0 H LEU A 78 4.553 1.621 -12.116 1.00 0.00 H new ATOM 0 HA LEU A 78 5.712 -0.656 -13.604 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.478 -1.187 -11.152 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.351 -0.014 -12.118 1.00 0.00 H new ATOM 0 HG LEU A 78 6.106 1.822 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.803 1.319 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.073 0.591 -10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.994 -0.422 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.247 1.631 -8.821 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.535 -0.098 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.300 1.129 -10.165 1.00 0.00 H new ATOM 1174 N GLU A 79 4.521 -2.419 -11.890 1.00 0.00 N ATOM 1175 CA GLU A 79 3.534 -3.392 -11.437 1.00 0.00 C ATOM 1176 C GLU A 79 4.071 -4.216 -10.271 1.00 0.00 C ATOM 1177 O GLU A 79 5.196 -4.712 -10.314 1.00 0.00 O ATOM 1178 CB GLU A 79 3.134 -4.318 -12.588 1.00 0.00 C ATOM 1179 CG GLU A 79 2.129 -3.699 -13.545 1.00 0.00 C ATOM 1180 CD GLU A 79 2.792 -3.038 -14.738 1.00 0.00 C ATOM 1181 OE1 GLU A 79 3.949 -2.589 -14.602 1.00 0.00 O ATOM 1182 OE2 GLU A 79 2.153 -2.970 -15.810 1.00 0.00 O1- ATOM 0 H GLU A 79 5.477 -2.773 -11.929 1.00 0.00 H new ATOM 0 HA GLU A 79 2.655 -2.845 -11.095 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.028 -4.599 -13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.714 -5.235 -12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.444 -4.471 -13.896 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.531 -2.961 -13.011 1.00 0.00 H new ATOM 1189 N PHE A 80 3.255 -4.360 -9.231 1.00 0.00 N ATOM 1190 CA PHE A 80 3.645 -5.126 -8.053 1.00 0.00 C ATOM 1191 C PHE A 80 3.456 -6.623 -8.295 1.00 0.00 C ATOM 1192 O PHE A 80 2.571 -7.031 -9.047 1.00 0.00 O ATOM 1193 CB PHE A 80 2.838 -4.666 -6.829 1.00 0.00 C ATOM 1194 CG PHE A 80 1.662 -5.545 -6.498 1.00 0.00 C ATOM 1195 CD1 PHE A 80 0.477 -5.438 -7.209 1.00 0.00 C ATOM 1196 CD2 PHE A 80 1.747 -6.480 -5.480 1.00 0.00 C ATOM 1197 CE1 PHE A 80 -0.601 -6.248 -6.909 1.00 0.00 C ATOM 1198 CE2 PHE A 80 0.672 -7.293 -5.175 1.00 0.00 C ATOM 1199 CZ PHE A 80 -0.504 -7.177 -5.891 1.00 0.00 C ATOM 0 H PHE A 80 2.320 -3.956 -9.181 1.00 0.00 H new ATOM 0 HA PHE A 80 4.702 -4.947 -7.857 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.501 -4.626 -5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.481 -3.651 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.396 -4.714 -8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.664 -6.575 -4.918 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.519 -6.155 -7.470 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.751 -8.018 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.346 -7.811 -5.655 1.00 0.00 H new ATOM 1209 N VAL A 81 4.289 -7.434 -7.652 1.00 0.00 N ATOM 1210 CA VAL A 81 4.206 -8.882 -7.801 1.00 0.00 C ATOM 1211 C VAL A 81 3.565 -9.522 -6.574 1.00 0.00 C ATOM 1212 O VAL A 81 2.815 -10.491 -6.690 1.00 0.00 O ATOM 1213 CB VAL A 81 5.596 -9.508 -8.028 1.00 0.00 C ATOM 1214 CG1 VAL A 81 6.106 -9.182 -9.423 1.00 0.00 C ATOM 1215 CG2 VAL A 81 6.579 -9.032 -6.969 1.00 0.00 C ATOM 0 H VAL A 81 5.027 -7.115 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 81 3.585 -9.075 -8.676 1.00 0.00 H new ATOM 0 HB VAL A 81 5.504 -10.591 -7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.088 -9.632 -9.566 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.414 -9.579 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.182 -8.101 -9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.554 -9.486 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.669 -7.947 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.219 -9.322 -5.982 1.00 0.00 H new ATOM 1225 N ARG A 82 3.864 -8.971 -5.401 1.00 0.00 N ATOM 1226 CA ARG A 82 3.317 -9.483 -4.148 1.00 0.00 C ATOM 1227 C ARG A 82 3.886 -8.722 -2.956 1.00 0.00 C ATOM 1228 O ARG A 82 4.893 -8.024 -3.077 1.00 0.00 O ATOM 1229 CB ARG A 82 3.617 -10.972 -3.999 1.00 0.00 C ATOM 1230 CG ARG A 82 5.090 -11.290 -4.124 1.00 0.00 C ATOM 1231 CD ARG A 82 5.320 -12.740 -4.518 1.00 0.00 C ATOM 1232 NE ARG A 82 6.466 -12.889 -5.411 1.00 0.00 N ATOM 1233 CZ ARG A 82 7.727 -12.672 -5.042 1.00 0.00 C ATOM 1234 NH1 ARG A 82 8.007 -12.298 -3.800 1.00 0.00 N1+ ATOM 1235 NH2 ARG A 82 8.710 -12.831 -5.918 1.00 0.00 N ATOM 0 H ARG A 82 4.484 -8.168 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 82 2.237 -9.339 -4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.257 -11.315 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 82 3.065 -11.527 -4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.542 -10.634 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.588 -11.087 -3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.479 -13.339 -3.621 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.427 -13.129 -5.007 1.00 0.00 H new ATOM 0 HE ARG A 82 6.290 -13.176 -6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.255 -12.175 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.975 -12.133 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.500 -13.119 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.676 -12.665 -5.636 1.00 0.00 H new ATOM 1249 N VAL A 83 3.235 -8.859 -1.805 1.00 0.00 N ATOM 1250 CA VAL A 83 3.678 -8.182 -0.595 1.00 0.00 C ATOM 1251 C VAL A 83 4.636 -9.055 0.211 1.00 0.00 C ATOM 1252 O VAL A 83 4.458 -10.270 0.303 1.00 0.00 O ATOM 1253 CB VAL A 83 2.481 -7.780 0.293 1.00 0.00 C ATOM 1254 CG1 VAL A 83 1.405 -7.094 -0.537 1.00 0.00 C ATOM 1255 CG2 VAL A 83 1.910 -8.990 1.021 1.00 0.00 C ATOM 0 H VAL A 83 2.400 -9.433 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 83 4.203 -7.280 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 83 2.839 -7.075 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.570 -6.818 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.818 -6.198 -0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.056 -7.774 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.068 -8.679 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.572 -9.727 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.681 -9.431 1.653 1.00 0.00 H new ATOM 1265 N VAL A 84 5.650 -8.426 0.795 1.00 0.00 N ATOM 1266 CA VAL A 84 6.636 -9.141 1.596 1.00 0.00 C ATOM 1267 C VAL A 84 6.595 -8.698 3.059 1.00 0.00 C ATOM 1268 O VAL A 84 7.118 -9.386 3.936 1.00 0.00 O ATOM 1269 CB VAL A 84 8.061 -8.935 1.044 1.00 0.00 C ATOM 1270 CG1 VAL A 84 8.443 -7.461 1.073 1.00 0.00 C ATOM 1271 CG2 VAL A 84 9.064 -9.772 1.824 1.00 0.00 C ATOM 0 H VAL A 84 5.811 -7.421 0.728 1.00 0.00 H new ATOM 0 HA VAL A 84 6.380 -10.199 1.539 1.00 0.00 H new ATOM 0 HB VAL A 84 8.077 -9.267 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.452 -7.339 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.743 -6.892 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.407 -7.096 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.063 -9.613 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.046 -9.477 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.802 -10.827 1.739 1.00 0.00 H new ATOM 1281 N LYS A 85 5.976 -7.548 3.320 1.00 0.00 N ATOM 1282 CA LYS A 85 5.879 -7.028 4.681 1.00 0.00 C ATOM 1283 C LYS A 85 4.575 -6.265 4.886 1.00 0.00 C ATOM 1284 O LYS A 85 3.970 -5.778 3.931 1.00 0.00 O ATOM 1285 CB LYS A 85 7.067 -6.114 4.991 1.00 0.00 C ATOM 1286 CG LYS A 85 8.381 -6.596 4.398 1.00 0.00 C ATOM 1287 CD LYS A 85 9.569 -5.876 5.017 1.00 0.00 C ATOM 1288 CE LYS A 85 10.869 -6.251 4.325 1.00 0.00 C ATOM 1289 NZ LYS A 85 12.003 -6.343 5.285 1.00 0.00 N1+ ATOM 0 H LYS A 85 5.536 -6.962 2.610 1.00 0.00 H new ATOM 0 HA LYS A 85 5.894 -7.878 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.853 -5.114 4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.176 -6.029 6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.481 -7.670 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.377 -6.433 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.418 -4.799 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.635 -6.124 6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.746 -7.207 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.100 -5.509 3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.871 -6.601 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.137 -5.424 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.794 -7.069 6.000 1.00 0.00 H new ATOM 1303 N ALA A 86 4.150 -6.166 6.141 1.00 0.00 N ATOM 1304 CA ALA A 86 2.919 -5.464 6.479 1.00 0.00 C ATOM 1305 C ALA A 86 2.876 -5.109 7.961 1.00 0.00 C ATOM 1306 O ALA A 86 2.973 -5.982 8.822 1.00 0.00 O ATOM 1307 CB ALA A 86 1.714 -6.309 6.101 1.00 0.00 C ATOM 0 H ALA A 86 4.641 -6.564 6.941 1.00 0.00 H new ATOM 0 HA ALA A 86 2.892 -4.534 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.800 -5.774 6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.730 -6.506 5.029 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.747 -7.253 6.644 1.00 0.00 H new ATOM 1313 N LYS A 87 2.731 -3.820 8.249 1.00 0.00 N ATOM 1314 CA LYS A 87 2.675 -3.344 9.627 1.00 0.00 C ATOM 1315 C LYS A 87 1.479 -2.421 9.834 1.00 0.00 C ATOM 1316 O LYS A 87 0.997 -1.792 8.892 1.00 0.00 O ATOM 1317 CB LYS A 87 3.968 -2.611 9.988 1.00 0.00 C ATOM 1318 CG LYS A 87 5.205 -3.492 9.919 1.00 0.00 C ATOM 1319 CD LYS A 87 5.936 -3.323 8.597 1.00 0.00 C ATOM 1320 CE LYS A 87 7.124 -4.265 8.493 1.00 0.00 C ATOM 1321 NZ LYS A 87 8.307 -3.752 9.239 1.00 0.00 N1+ ATOM 0 H LYS A 87 2.650 -3.085 7.546 1.00 0.00 H new ATOM 0 HA LYS A 87 2.562 -4.209 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.097 -1.764 9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.877 -2.205 10.995 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.876 -3.244 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.917 -4.536 10.046 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.248 -3.511 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.278 -2.293 8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.846 -5.244 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.388 -4.402 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.096 -4.423 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.589 -2.829 8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.064 -3.645 10.244 1.00 0.00 H new ATOM 1335 N GLU A 88 1.004 -2.344 11.073 1.00 0.00 N ATOM 1336 CA GLU A 88 -0.138 -1.498 11.403 1.00 0.00 C ATOM 1337 C GLU A 88 0.205 -0.530 12.531 1.00 0.00 C ATOM 1338 O GLU A 88 1.033 -0.830 13.391 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.337 -2.360 11.802 1.00 0.00 C ATOM 1340 CG GLU A 88 -0.986 -3.484 12.762 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.904 -4.833 12.075 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -0.360 -4.895 10.953 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -1.383 -5.827 12.660 1.00 0.00 O1- ATOM 0 H GLU A 88 1.392 -2.857 11.865 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.394 -0.916 10.518 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.094 -1.724 12.261 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.782 -2.787 10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.031 -3.265 13.239 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.734 -3.528 13.553 1.00 0.00 H new ATOM 1350 N GLN A 89 -0.442 0.631 12.520 1.00 0.00 N ATOM 1351 CA GLN A 89 -0.212 1.646 13.542 1.00 0.00 C ATOM 1352 C GLN A 89 -1.406 2.589 13.643 1.00 0.00 C ATOM 1353 O GLN A 89 -2.214 2.684 12.719 1.00 0.00 O ATOM 1354 CB GLN A 89 1.057 2.441 13.229 1.00 0.00 C ATOM 1355 CG GLN A 89 1.178 2.848 11.769 1.00 0.00 C ATOM 1356 CD GLN A 89 2.503 2.437 11.156 1.00 0.00 C ATOM 1357 OE1 GLN A 89 3.394 3.264 10.962 1.00 0.00 O ATOM 1358 NE2 GLN A 89 2.638 1.152 10.848 1.00 0.00 N ATOM 0 H GLN A 89 -1.130 0.892 11.814 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.085 1.141 14.500 1.00 0.00 H new ATOM 0 HB2 GLN A 89 1.076 3.337 13.850 1.00 0.00 H new ATOM 0 HB3 GLN A 89 1.926 1.844 13.504 1.00 0.00 H new ATOM 0 HG2 GLN A 89 0.364 2.397 11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.064 3.929 11.686 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.873 0.502 11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.507 0.816 10.433 1.00 0.00 H new ATOM 1367 N VAL A 90 -1.516 3.282 14.772 1.00 0.00 N ATOM 1368 CA VAL A 90 -2.617 4.213 14.990 1.00 0.00 C ATOM 1369 C VAL A 90 -2.139 5.661 14.943 1.00 0.00 C ATOM 1370 O VAL A 90 -1.246 6.057 15.693 1.00 0.00 O ATOM 1371 CB VAL A 90 -3.311 3.958 16.340 1.00 0.00 C ATOM 1372 CG1 VAL A 90 -4.584 4.783 16.450 1.00 0.00 C ATOM 1373 CG2 VAL A 90 -3.611 2.477 16.515 1.00 0.00 C ATOM 0 H VAL A 90 -0.858 3.217 15.548 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.331 4.045 14.184 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.636 4.265 17.138 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.061 4.590 17.411 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -4.339 5.842 16.373 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.266 4.509 15.645 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.102 2.316 17.475 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.267 2.141 15.712 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.680 1.911 16.484 1.00 0.00 H new ATOM 1383 N VAL A 91 -2.744 6.446 14.059 1.00 0.00 N ATOM 1384 CA VAL A 91 -2.392 7.853 13.908 1.00 0.00 C ATOM 1385 C VAL A 91 -3.527 8.625 13.246 1.00 0.00 C ATOM 1386 O VAL A 91 -3.647 8.642 12.021 1.00 0.00 O ATOM 1387 CB VAL A 91 -1.110 8.028 13.071 1.00 0.00 C ATOM 1388 CG1 VAL A 91 0.109 7.577 13.861 1.00 0.00 C ATOM 1389 CG2 VAL A 91 -1.220 7.264 11.759 1.00 0.00 C ATOM 0 H VAL A 91 -3.485 6.130 13.433 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.215 8.248 14.909 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.991 9.086 12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.005 7.708 13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.195 8.174 14.769 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.002 6.525 14.127 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.306 7.399 11.181 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.365 6.204 11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.069 7.641 11.188 1.00 0.00 H new ATOM 1399 N SER A 92 -4.365 9.255 14.063 1.00 0.00 N ATOM 1400 CA SER A 92 -5.497 10.019 13.553 1.00 0.00 C ATOM 1401 C SER A 92 -6.449 9.113 12.778 1.00 0.00 C ATOM 1402 O SER A 92 -7.163 9.564 11.882 1.00 0.00 O ATOM 1403 CB SER A 92 -5.010 11.158 12.655 1.00 0.00 C ATOM 1404 OG SER A 92 -3.997 11.915 13.294 1.00 0.00 O ATOM 0 H SER A 92 -4.281 9.251 15.080 1.00 0.00 H new ATOM 0 HA SER A 92 -6.033 10.444 14.401 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.627 10.749 11.720 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.847 11.808 12.400 1.00 0.00 H new ATOM 0 HG SER A 92 -3.702 12.635 12.698 1.00 0.00 H new ATOM 1410 N GLY A 93 -6.450 7.831 13.129 1.00 0.00 N ATOM 1411 CA GLY A 93 -7.310 6.875 12.459 1.00 0.00 C ATOM 1412 C GLY A 93 -6.689 5.494 12.399 1.00 0.00 C ATOM 1413 O GLY A 93 -6.532 4.831 13.425 1.00 0.00 O ATOM 0 H GLY A 93 -5.868 7.437 13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.266 6.820 12.980 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -7.519 7.223 11.447 1.00 0.00 H new ATOM 1417 N MET A 94 -6.330 5.059 11.196 1.00 0.00 N ATOM 1418 CA MET A 94 -5.717 3.750 11.009 1.00 0.00 C ATOM 1419 C MET A 94 -4.703 3.784 9.869 1.00 0.00 C ATOM 1420 O MET A 94 -5.064 3.989 8.710 1.00 0.00 O ATOM 1421 CB MET A 94 -6.790 2.698 10.722 1.00 0.00 C ATOM 1422 CG MET A 94 -7.675 2.390 11.919 1.00 0.00 C ATOM 1423 SD MET A 94 -6.871 1.309 13.117 1.00 0.00 S ATOM 1424 CE MET A 94 -6.900 2.344 14.579 1.00 0.00 C ATOM 0 H MET A 94 -6.453 5.594 10.336 1.00 0.00 H new ATOM 0 HA MET A 94 -5.195 3.485 11.928 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.415 3.043 9.898 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.307 1.779 10.392 1.00 0.00 H new ATOM 0 HG2 MET A 94 -7.956 3.323 12.408 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.597 1.921 11.574 1.00 0.00 H new ATOM 0 HE1 MET A 94 -6.992 1.718 15.466 1.00 0.00 H new ATOM 0 HE2 MET A 94 -5.976 2.920 14.635 1.00 0.00 H new ATOM 0 HE3 MET A 94 -7.750 3.025 14.526 1.00 0.00 H new ATOM 1434 N MET A 95 -3.434 3.579 10.206 1.00 0.00 N ATOM 1435 CA MET A 95 -2.367 3.584 9.211 1.00 0.00 C ATOM 1436 C MET A 95 -1.776 2.188 9.045 1.00 0.00 C ATOM 1437 O MET A 95 -1.699 1.419 10.003 1.00 0.00 O ATOM 1438 CB MET A 95 -1.269 4.571 9.610 1.00 0.00 C ATOM 1439 CG MET A 95 -0.646 5.299 8.430 1.00 0.00 C ATOM 1440 SD MET A 95 0.264 6.774 8.926 1.00 0.00 S ATOM 1441 CE MET A 95 -0.624 8.039 8.022 1.00 0.00 C ATOM 0 H MET A 95 -3.119 3.407 11.161 1.00 0.00 H new ATOM 0 HA MET A 95 -2.794 3.896 8.258 1.00 0.00 H new ATOM 0 HB2 MET A 95 -1.685 5.305 10.300 1.00 0.00 H new ATOM 0 HB3 MET A 95 -0.488 4.034 10.148 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.027 4.621 7.904 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.430 5.580 7.726 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.008 8.921 7.914 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.891 7.661 7.035 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.530 8.306 8.566 1.00 0.00 H new ATOM 1451 N HIS A 96 -1.363 1.865 7.824 1.00 0.00 N ATOM 1452 CA HIS A 96 -0.782 0.559 7.538 1.00 0.00 C ATOM 1453 C HIS A 96 0.430 0.683 6.621 1.00 0.00 C ATOM 1454 O HIS A 96 0.316 1.136 5.481 1.00 0.00 O ATOM 1455 CB HIS A 96 -1.827 -0.357 6.899 1.00 0.00 C ATOM 1456 CG HIS A 96 -1.616 -1.808 7.199 1.00 0.00 C ATOM 1457 ND1 HIS A 96 -1.911 -2.375 8.421 1.00 0.00 N ATOM 1458 CD2 HIS A 96 -1.135 -2.812 6.428 1.00 0.00 C ATOM 1459 CE1 HIS A 96 -1.620 -3.663 8.389 1.00 0.00 C ATOM 1460 NE2 HIS A 96 -1.148 -3.953 7.191 1.00 0.00 N ATOM 0 H HIS A 96 -1.420 2.488 7.019 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.453 0.125 8.482 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -2.817 -0.063 7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.813 -0.212 5.819 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -2.294 -1.877 9.225 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -0.803 -2.730 5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.747 -4.360 9.204 1.00 0.00 H new ATOM 1469 N TYR A 97 1.588 0.270 7.124 1.00 0.00 N ATOM 1470 CA TYR A 97 2.823 0.324 6.350 1.00 0.00 C ATOM 1471 C TYR A 97 3.179 -1.062 5.824 1.00 0.00 C ATOM 1472 O TYR A 97 3.649 -1.918 6.574 1.00 0.00 O ATOM 1473 CB TYR A 97 3.967 0.869 7.208 1.00 0.00 C ATOM 1474 CG TYR A 97 3.832 2.339 7.536 1.00 0.00 C ATOM 1475 CD1 TYR A 97 2.710 2.823 8.198 1.00 0.00 C ATOM 1476 CD2 TYR A 97 4.826 3.243 7.184 1.00 0.00 C ATOM 1477 CE1 TYR A 97 2.583 4.165 8.500 1.00 0.00 C ATOM 1478 CE2 TYR A 97 4.707 4.587 7.482 1.00 0.00 C ATOM 1479 CZ TYR A 97 3.584 5.043 8.140 1.00 0.00 C ATOM 1480 OH TYR A 97 3.461 6.381 8.439 1.00 0.00 O ATOM 0 H TYR A 97 1.697 -0.106 8.066 1.00 0.00 H new ATOM 0 HA TYR A 97 2.671 0.993 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.015 0.301 8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.910 0.707 6.686 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.924 2.138 8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.707 2.889 6.669 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.705 4.525 9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.489 5.277 7.201 1.00 0.00 H new ATOM 0 HH TYR A 97 2.518 6.595 8.601 1.00 0.00 H new ATOM 1490 N LEU A 98 2.940 -1.283 4.536 1.00 0.00 N ATOM 1491 CA LEU A 98 3.224 -2.575 3.920 1.00 0.00 C ATOM 1492 C LEU A 98 4.281 -2.454 2.829 1.00 0.00 C ATOM 1493 O LEU A 98 4.299 -1.486 2.068 1.00 0.00 O ATOM 1494 CB LEU A 98 1.944 -3.171 3.334 1.00 0.00 C ATOM 1495 CG LEU A 98 1.364 -2.407 2.140 1.00 0.00 C ATOM 1496 CD1 LEU A 98 1.006 -3.363 1.013 1.00 0.00 C ATOM 1497 CD2 LEU A 98 0.147 -1.598 2.564 1.00 0.00 C ATOM 0 H LEU A 98 2.552 -0.587 3.900 1.00 0.00 H new ATOM 0 HA LEU A 98 3.612 -3.234 4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.146 -4.197 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.189 -3.216 4.119 1.00 0.00 H new ATOM 0 HG LEU A 98 2.124 -1.717 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.596 -2.800 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.900 -3.895 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.265 -4.080 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.252 -1.062 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.616 -2.269 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.436 -0.883 3.335 1.00 0.00 H new ATOM 1509 N THR A 99 5.155 -3.452 2.754 1.00 0.00 N ATOM 1510 CA THR A 99 6.210 -3.471 1.751 1.00 0.00 C ATOM 1511 C THR A 99 5.959 -4.583 0.740 1.00 0.00 C ATOM 1512 O THR A 99 5.712 -5.728 1.117 1.00 0.00 O ATOM 1513 CB THR A 99 7.573 -3.668 2.415 1.00 0.00 C ATOM 1514 OG1 THR A 99 7.585 -3.099 3.712 1.00 0.00 O ATOM 1515 CG2 THR A 99 8.714 -3.054 1.634 1.00 0.00 C ATOM 0 H THR A 99 5.152 -4.259 3.378 1.00 0.00 H new ATOM 0 HA THR A 99 6.208 -2.513 1.230 1.00 0.00 H new ATOM 0 HB THR A 99 7.721 -4.747 2.455 1.00 0.00 H new ATOM 0 HG1 THR A 99 8.512 -2.976 4.007 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.652 -3.230 2.161 1.00 0.00 H new ATOM 0 HG22 THR A 99 8.763 -3.508 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.550 -1.981 1.534 1.00 0.00 H new ATOM 1523 N VAL A 100 6.014 -4.243 -0.543 1.00 0.00 N ATOM 1524 CA VAL A 100 5.783 -5.224 -1.596 1.00 0.00 C ATOM 1525 C VAL A 100 6.848 -5.133 -2.685 1.00 0.00 C ATOM 1526 O VAL A 100 7.536 -4.120 -2.813 1.00 0.00 O ATOM 1527 CB VAL A 100 4.381 -5.052 -2.227 1.00 0.00 C ATOM 1528 CG1 VAL A 100 3.328 -4.859 -1.146 1.00 0.00 C ATOM 1529 CG2 VAL A 100 4.359 -3.886 -3.209 1.00 0.00 C ATOM 0 H VAL A 100 6.215 -3.301 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 100 5.841 -6.208 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 100 4.148 -5.962 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.349 -4.740 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.316 -5.730 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.564 -3.969 -0.563 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.361 -3.789 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.621 -2.966 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.079 -4.068 -4.006 1.00 0.00 H new ATOM 1539 N GLU A 101 6.972 -6.196 -3.472 1.00 0.00 N ATOM 1540 CA GLU A 101 7.945 -6.235 -4.555 1.00 0.00 C ATOM 1541 C GLU A 101 7.334 -5.686 -5.839 1.00 0.00 C ATOM 1542 O GLU A 101 6.235 -6.079 -6.230 1.00 0.00 O ATOM 1543 CB GLU A 101 8.437 -7.666 -4.779 1.00 0.00 C ATOM 1544 CG GLU A 101 9.651 -8.030 -3.940 1.00 0.00 C ATOM 1545 CD GLU A 101 10.032 -9.492 -4.070 1.00 0.00 C ATOM 1546 OE1 GLU A 101 10.734 -9.839 -5.043 1.00 0.00 O1- ATOM 1547 OE2 GLU A 101 9.627 -10.291 -3.199 1.00 0.00 O ATOM 0 H GLU A 101 6.410 -7.042 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 101 8.794 -5.611 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.627 -8.359 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.682 -7.796 -5.833 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.495 -7.410 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.446 -7.803 -2.894 1.00 0.00 H new ATOM 1554 N VAL A 102 8.046 -4.771 -6.486 1.00 0.00 N ATOM 1555 CA VAL A 102 7.563 -4.166 -7.720 1.00 0.00 C ATOM 1556 C VAL A 102 8.522 -4.417 -8.878 1.00 0.00 C ATOM 1557 O VAL A 102 9.733 -4.533 -8.683 1.00 0.00 O ATOM 1558 CB VAL A 102 7.361 -2.648 -7.557 1.00 0.00 C ATOM 1559 CG1 VAL A 102 6.637 -2.072 -8.764 1.00 0.00 C ATOM 1560 CG2 VAL A 102 6.601 -2.344 -6.274 1.00 0.00 C ATOM 0 H VAL A 102 8.957 -4.433 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 102 6.605 -4.635 -7.943 1.00 0.00 H new ATOM 0 HB VAL A 102 8.341 -2.175 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.504 -0.999 -8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.226 -2.255 -9.663 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.662 -2.549 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.468 -1.267 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.625 -2.829 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 102 7.165 -2.719 -5.420 1.00 0.00 H new ATOM 1570 N ASN A 103 7.969 -4.496 -10.084 1.00 0.00 N ATOM 1571 CA ASN A 103 8.767 -4.729 -11.281 1.00 0.00 C ATOM 1572 C ASN A 103 8.468 -3.673 -12.341 1.00 0.00 C ATOM 1573 O ASN A 103 7.333 -3.212 -12.469 1.00 0.00 O ATOM 1574 CB ASN A 103 8.489 -6.125 -11.842 1.00 0.00 C ATOM 1575 CG ASN A 103 9.357 -6.449 -13.042 1.00 0.00 C ATOM 1576 OD1 ASN A 103 9.341 -5.737 -14.045 1.00 0.00 O ATOM 1577 ND2 ASN A 103 10.122 -7.531 -12.945 1.00 0.00 N ATOM 0 H ASN A 103 6.968 -4.402 -10.258 1.00 0.00 H new ATOM 0 HA ASN A 103 9.820 -4.660 -11.008 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.660 -6.867 -11.062 1.00 0.00 H new ATOM 0 HB3 ASN A 103 7.439 -6.197 -12.126 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.727 -7.799 -13.721 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.104 -8.093 -12.094 1.00 0.00 H new ATOM 1584 N ASP A 104 9.493 -3.291 -13.097 1.00 0.00 N ATOM 1585 CA ASP A 104 9.336 -2.287 -14.143 1.00 0.00 C ATOM 1586 C ASP A 104 10.291 -2.550 -15.304 1.00 0.00 C ATOM 1587 O ASP A 104 11.503 -2.376 -15.175 1.00 0.00 O ATOM 1588 CB ASP A 104 9.581 -0.888 -13.576 1.00 0.00 C ATOM 1589 CG ASP A 104 8.782 0.178 -14.299 1.00 0.00 C ATOM 1590 OD1 ASP A 104 8.485 -0.013 -15.497 1.00 0.00 O1- ATOM 1591 OD2 ASP A 104 8.453 1.204 -13.668 1.00 0.00 O ATOM 0 H ASP A 104 10.439 -3.661 -13.005 1.00 0.00 H new ATOM 0 HA ASP A 104 8.314 -2.349 -14.517 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.321 -0.878 -12.518 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.643 -0.652 -13.646 1.00 0.00 H new ATOM 1596 N ALA A 105 9.735 -2.967 -16.438 1.00 0.00 N ATOM 1597 CA ALA A 105 10.535 -3.252 -17.625 1.00 0.00 C ATOM 1598 C ALA A 105 11.651 -4.244 -17.316 1.00 0.00 C ATOM 1599 O ALA A 105 12.709 -4.219 -17.947 1.00 0.00 O ATOM 1600 CB ALA A 105 11.113 -1.963 -18.190 1.00 0.00 C ATOM 0 H ALA A 105 8.733 -3.115 -16.560 1.00 0.00 H new ATOM 0 HA ALA A 105 9.883 -3.706 -18.371 1.00 0.00 H new ATOM 0 HB1 ALA A 105 11.708 -2.188 -19.075 1.00 0.00 H new ATOM 0 HB2 ALA A 105 10.301 -1.288 -18.461 1.00 0.00 H new ATOM 0 HB3 ALA A 105 11.745 -1.488 -17.440 1.00 0.00 H new ATOM 1606 N GLY A 106 11.410 -5.116 -16.343 1.00 0.00 N ATOM 1607 CA GLY A 106 12.406 -6.103 -15.970 1.00 0.00 C ATOM 1608 C GLY A 106 13.074 -5.782 -14.648 1.00 0.00 C ATOM 1609 O GLY A 106 13.529 -6.682 -13.941 1.00 0.00 O ATOM 0 H GLY A 106 10.544 -5.157 -15.806 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.935 -7.084 -15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.164 -6.163 -16.751 1.00 0.00 H new ATOM 1613 N LYS A 107 13.134 -4.498 -14.312 1.00 0.00 N ATOM 1614 CA LYS A 107 13.753 -4.063 -13.065 1.00 0.00 C ATOM 1615 C LYS A 107 12.933 -4.526 -11.865 1.00 0.00 C ATOM 1616 O LYS A 107 11.836 -4.026 -11.621 1.00 0.00 O ATOM 1617 CB LYS A 107 13.895 -2.540 -13.045 1.00 0.00 C ATOM 1618 CG LYS A 107 15.195 -2.042 -13.653 1.00 0.00 C ATOM 1619 CD LYS A 107 15.007 -0.707 -14.355 1.00 0.00 C ATOM 1620 CE LYS A 107 15.349 0.457 -13.440 1.00 0.00 C ATOM 1621 NZ LYS A 107 16.808 0.754 -13.441 1.00 0.00 N1+ ATOM 0 H LYS A 107 12.762 -3.741 -14.885 1.00 0.00 H new ATOM 0 HA LYS A 107 14.744 -4.512 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.058 -2.098 -13.586 1.00 0.00 H new ATOM 0 HB3 LYS A 107 13.828 -2.191 -12.015 1.00 0.00 H new ATOM 0 HG2 LYS A 107 15.948 -1.940 -12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.571 -2.778 -14.364 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.637 -0.670 -15.243 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.975 -0.615 -14.693 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.798 1.342 -13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 107 15.026 0.228 -12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.000 1.554 -12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.333 -0.082 -13.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.112 0.998 -14.405 1.00 0.00 H new ATOM 1635 N LYS A 108 13.474 -5.485 -11.121 1.00 0.00 N ATOM 1636 CA LYS A 108 12.793 -6.017 -9.946 1.00 0.00 C ATOM 1637 C LYS A 108 13.380 -5.434 -8.665 1.00 0.00 C ATOM 1638 O LYS A 108 14.598 -5.403 -8.488 1.00 0.00 O ATOM 1639 CB LYS A 108 12.899 -7.543 -9.921 1.00 0.00 C ATOM 1640 CG LYS A 108 12.198 -8.184 -8.735 1.00 0.00 C ATOM 1641 CD LYS A 108 10.838 -8.742 -9.125 1.00 0.00 C ATOM 1642 CE LYS A 108 9.788 -8.442 -8.068 1.00 0.00 C ATOM 1643 NZ LYS A 108 8.908 -7.309 -8.465 1.00 0.00 N1+ ATOM 0 H LYS A 108 14.382 -5.910 -11.311 1.00 0.00 H new ATOM 0 HA LYS A 108 11.743 -5.731 -10.004 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.475 -7.943 -10.842 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.952 -7.825 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.819 -8.985 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.076 -7.447 -7.942 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.528 -8.314 -10.079 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.914 -9.820 -9.268 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.181 -9.331 -7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.280 -8.206 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.395 -6.959 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 9.487 -6.542 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.226 -7.633 -9.180 1.00 0.00 H new ATOM 1657 N LYS A 109 12.508 -4.973 -7.774 1.00 0.00 N ATOM 1658 CA LYS A 109 12.947 -4.392 -6.510 1.00 0.00 C ATOM 1659 C LYS A 109 11.834 -4.436 -5.468 1.00 0.00 C ATOM 1660 O LYS A 109 10.699 -4.806 -5.770 1.00 0.00 O ATOM 1661 CB LYS A 109 13.406 -2.948 -6.720 1.00 0.00 C ATOM 1662 CG LYS A 109 14.881 -2.823 -7.068 1.00 0.00 C ATOM 1663 CD LYS A 109 15.090 -2.677 -8.566 1.00 0.00 C ATOM 1664 CE LYS A 109 15.295 -1.223 -8.960 1.00 0.00 C ATOM 1665 NZ LYS A 109 15.255 -1.037 -10.437 1.00 0.00 N1+ ATOM 0 H LYS A 109 11.496 -4.990 -7.903 1.00 0.00 H new ATOM 0 HA LYS A 109 13.785 -4.985 -6.142 1.00 0.00 H new ATOM 0 HB2 LYS A 109 12.814 -2.500 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 109 13.205 -2.376 -5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.305 -1.960 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 109 15.416 -3.702 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 109 15.956 -3.264 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.227 -3.081 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 109 14.523 -0.609 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 109 16.254 -0.875 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 15.951 -0.315 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.483 -1.937 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.304 -0.729 -10.722 1.00 0.00 H new ATOM 1679 N LEU A 110 12.169 -4.053 -4.240 1.00 0.00 N ATOM 1680 CA LEU A 110 11.203 -4.042 -3.147 1.00 0.00 C ATOM 1681 C LEU A 110 10.954 -2.616 -2.665 1.00 0.00 C ATOM 1682 O LEU A 110 11.881 -1.923 -2.247 1.00 0.00 O ATOM 1683 CB LEU A 110 11.706 -4.913 -1.990 1.00 0.00 C ATOM 1684 CG LEU A 110 10.959 -4.739 -0.664 1.00 0.00 C ATOM 1685 CD1 LEU A 110 9.458 -4.862 -0.874 1.00 0.00 C ATOM 1686 CD2 LEU A 110 11.442 -5.759 0.356 1.00 0.00 C ATOM 0 H LEU A 110 13.105 -3.745 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 110 10.261 -4.451 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.641 -5.959 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.761 -4.694 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 110 11.169 -3.741 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.946 -4.735 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.124 -4.093 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.227 -5.846 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 110 10.901 -5.621 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 110 11.262 -6.765 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 110 12.509 -5.622 0.530 1.00 0.00 H new ATOM 1698 N TYR A 111 9.699 -2.184 -2.727 1.00 0.00 N ATOM 1699 CA TYR A 111 9.334 -0.839 -2.299 1.00 0.00 C ATOM 1700 C TYR A 111 8.301 -0.880 -1.176 1.00 0.00 C ATOM 1701 O TYR A 111 7.461 -1.779 -1.123 1.00 0.00 O ATOM 1702 CB TYR A 111 8.790 -0.035 -3.482 1.00 0.00 C ATOM 1703 CG TYR A 111 9.635 -0.139 -4.734 1.00 0.00 C ATOM 1704 CD1 TYR A 111 11.020 -0.253 -4.660 1.00 0.00 C ATOM 1705 CD2 TYR A 111 9.047 -0.121 -5.993 1.00 0.00 C ATOM 1706 CE1 TYR A 111 11.791 -0.345 -5.803 1.00 0.00 C ATOM 1707 CE2 TYR A 111 9.812 -0.214 -7.140 1.00 0.00 C ATOM 1708 CZ TYR A 111 11.182 -0.325 -7.040 1.00 0.00 C ATOM 1709 OH TYR A 111 11.947 -0.417 -8.180 1.00 0.00 O ATOM 0 H TYR A 111 8.919 -2.745 -3.069 1.00 0.00 H new ATOM 0 HA TYR A 111 10.232 -0.352 -1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.780 -0.377 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.714 1.013 -3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.500 -0.270 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.974 -0.033 -6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 111 12.865 -0.432 -5.728 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.338 -0.200 -8.111 1.00 0.00 H new ATOM 0 HH TYR A 111 11.365 -0.389 -8.968 1.00 0.00 H new ATOM 1719 N GLU A 112 8.373 0.101 -0.281 1.00 0.00 N ATOM 1720 CA GLU A 112 7.448 0.183 0.844 1.00 0.00 C ATOM 1721 C GLU A 112 6.362 1.222 0.582 1.00 0.00 C ATOM 1722 O GLU A 112 6.610 2.250 -0.048 1.00 0.00 O ATOM 1723 CB GLU A 112 8.204 0.531 2.127 1.00 0.00 C ATOM 1724 CG GLU A 112 7.593 -0.080 3.378 1.00 0.00 C ATOM 1725 CD GLU A 112 7.544 0.893 4.539 1.00 0.00 C ATOM 1726 OE1 GLU A 112 7.145 2.057 4.322 1.00 0.00 O ATOM 1727 OE2 GLU A 112 7.903 0.492 5.666 1.00 0.00 O1- ATOM 0 H GLU A 112 9.063 0.851 -0.313 1.00 0.00 H new ATOM 0 HA GLU A 112 6.972 -0.790 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 112 9.236 0.192 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.233 1.615 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.583 -0.423 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 112 8.171 -0.957 3.669 1.00 0.00 H new ATOM 1734 N ALA A 113 5.157 0.945 1.072 1.00 0.00 N ATOM 1735 CA ALA A 113 4.030 1.853 0.893 1.00 0.00 C ATOM 1736 C ALA A 113 3.266 2.043 2.198 1.00 0.00 C ATOM 1737 O ALA A 113 2.923 1.072 2.874 1.00 0.00 O ATOM 1738 CB ALA A 113 3.099 1.328 -0.189 1.00 0.00 C ATOM 0 H ALA A 113 4.937 0.098 1.596 1.00 0.00 H new ATOM 0 HA ALA A 113 4.422 2.823 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 113 2.262 2.015 -0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.644 1.246 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.723 0.346 0.099 1.00 0.00 H new ATOM 1744 N LYS A 114 2.994 3.298 2.546 1.00 0.00 N ATOM 1745 CA LYS A 114 2.262 3.602 3.772 1.00 0.00 C ATOM 1746 C LYS A 114 0.912 4.236 3.455 1.00 0.00 C ATOM 1747 O LYS A 114 0.843 5.337 2.910 1.00 0.00 O ATOM 1748 CB LYS A 114 3.078 4.527 4.676 1.00 0.00 C ATOM 1749 CG LYS A 114 3.460 5.836 4.016 1.00 0.00 C ATOM 1750 CD LYS A 114 4.750 6.396 4.595 1.00 0.00 C ATOM 1751 CE LYS A 114 5.964 5.634 4.089 1.00 0.00 C ATOM 1752 NZ LYS A 114 7.223 6.405 4.281 1.00 0.00 N1+ ATOM 0 H LYS A 114 3.267 4.116 2.001 1.00 0.00 H new ATOM 0 HA LYS A 114 2.089 2.664 4.299 1.00 0.00 H new ATOM 0 HB2 LYS A 114 2.504 4.738 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.985 4.009 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.578 5.683 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 114 2.656 6.560 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.843 7.449 4.329 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.714 6.345 5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.039 4.681 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.835 5.407 3.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.733 6.468 3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.996 7.362 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.821 5.924 4.983 1.00 0.00 H new ATOM 1766 N VAL A 115 -0.160 3.528 3.798 1.00 0.00 N ATOM 1767 CA VAL A 115 -1.512 4.016 3.548 1.00 0.00 C ATOM 1768 C VAL A 115 -2.185 4.466 4.840 1.00 0.00 C ATOM 1769 O VAL A 115 -1.898 3.943 5.917 1.00 0.00 O ATOM 1770 CB VAL A 115 -2.383 2.936 2.878 1.00 0.00 C ATOM 1771 CG1 VAL A 115 -3.718 3.520 2.444 1.00 0.00 C ATOM 1772 CG2 VAL A 115 -1.653 2.318 1.696 1.00 0.00 C ATOM 0 H VAL A 115 -0.119 2.614 4.250 1.00 0.00 H new ATOM 0 HA VAL A 115 -1.420 4.869 2.875 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.577 2.149 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.319 2.742 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.245 3.909 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.548 4.328 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -2.284 1.558 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.425 3.093 0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.726 1.860 2.040 1.00 0.00 H new ATOM 1782 N TRP A 116 -3.081 5.440 4.723 1.00 0.00 N ATOM 1783 CA TRP A 116 -3.797 5.967 5.879 1.00 0.00 C ATOM 1784 C TRP A 116 -5.304 5.905 5.656 1.00 0.00 C ATOM 1785 O TRP A 116 -5.787 6.125 4.544 1.00 0.00 O ATOM 1786 CB TRP A 116 -3.370 7.409 6.153 1.00 0.00 C ATOM 1787 CG TRP A 116 -3.993 7.995 7.383 1.00 0.00 C ATOM 1788 CD1 TRP A 116 -4.069 7.420 8.619 1.00 0.00 C ATOM 1789 CD2 TRP A 116 -4.629 9.274 7.495 1.00 0.00 C ATOM 1790 NE1 TRP A 116 -4.712 8.264 9.493 1.00 0.00 N ATOM 1791 CE2 TRP A 116 -5.065 9.408 8.827 1.00 0.00 C ATOM 1792 CE3 TRP A 116 -4.870 10.319 6.599 1.00 0.00 C ATOM 1793 CZ2 TRP A 116 -5.728 10.545 9.282 1.00 0.00 C ATOM 1794 CZ3 TRP A 116 -5.529 11.446 7.052 1.00 0.00 C ATOM 1795 CH2 TRP A 116 -5.951 11.552 8.383 1.00 0.00 C ATOM 0 H TRP A 116 -3.329 5.881 3.837 1.00 0.00 H new ATOM 0 HA TRP A 116 -3.549 5.351 6.743 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -2.285 7.445 6.253 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -3.632 8.026 5.294 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -3.681 6.445 8.873 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -4.896 8.070 10.477 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -4.547 10.247 5.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -6.055 10.629 10.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -5.722 12.259 6.368 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -6.463 12.446 8.706 1.00 0.00 H new ATOM 1806 N GLU A 117 -6.042 5.603 6.720 1.00 0.00 N ATOM 1807 CA GLU A 117 -7.495 5.511 6.644 1.00 0.00 C ATOM 1808 C GLU A 117 -8.132 5.854 7.987 1.00 0.00 C ATOM 1809 O GLU A 117 -7.855 5.210 8.998 1.00 0.00 O ATOM 1810 CB GLU A 117 -7.916 4.105 6.213 1.00 0.00 C ATOM 1811 CG GLU A 117 -9.414 3.957 6.001 1.00 0.00 C ATOM 1812 CD GLU A 117 -10.092 3.211 7.134 1.00 0.00 C ATOM 1813 OE1 GLU A 117 -10.206 3.783 8.238 1.00 0.00 O1- ATOM 1814 OE2 GLU A 117 -10.508 2.054 6.916 1.00 0.00 O ATOM 0 H GLU A 117 -5.656 5.418 7.646 1.00 0.00 H new ATOM 0 HA GLU A 117 -7.841 6.231 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.399 3.847 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -7.592 3.390 6.969 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.863 4.945 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.594 3.430 5.064 1.00 0.00 H new ATOM 1821 N GLN A 118 -8.986 6.873 7.991 1.00 0.00 N ATOM 1822 CA GLN A 118 -9.660 7.300 9.209 1.00 0.00 C ATOM 1823 C GLN A 118 -11.074 6.732 9.279 1.00 0.00 C ATOM 1824 O GLN A 118 -11.550 6.107 8.331 1.00 0.00 O ATOM 1825 CB GLN A 118 -9.710 8.827 9.279 1.00 0.00 C ATOM 1826 CG GLN A 118 -8.469 9.509 8.727 1.00 0.00 C ATOM 1827 CD GLN A 118 -8.571 9.793 7.241 1.00 0.00 C ATOM 1828 OE1 GLN A 118 -9.464 10.514 6.795 1.00 0.00 O ATOM 1829 NE2 GLN A 118 -7.655 9.225 6.465 1.00 0.00 N ATOM 0 H GLN A 118 -9.227 7.418 7.163 1.00 0.00 H new ATOM 0 HA GLN A 118 -9.093 6.920 10.059 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -10.582 9.178 8.727 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -9.847 9.129 10.317 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -8.305 10.445 9.261 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.599 8.879 8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.933 8.635 6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.674 9.379 5.457 1.00 0.00 H new ATOM 1838 N VAL A 119 -11.740 6.956 10.407 1.00 0.00 N ATOM 1839 CA VAL A 119 -13.100 6.469 10.602 1.00 0.00 C ATOM 1840 C VAL A 119 -14.079 7.630 10.752 1.00 0.00 C ATOM 1841 O VAL A 119 -15.203 7.577 10.252 1.00 0.00 O ATOM 1842 CB VAL A 119 -13.199 5.559 11.842 1.00 0.00 C ATOM 1843 CG1 VAL A 119 -12.821 6.323 13.102 1.00 0.00 C ATOM 1844 CG2 VAL A 119 -14.597 4.970 11.966 1.00 0.00 C ATOM 0 H VAL A 119 -11.359 7.472 11.200 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.361 5.889 9.717 1.00 0.00 H new ATOM 0 HB VAL A 119 -12.494 4.737 11.719 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.898 5.662 13.965 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.797 6.687 13.014 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -13.497 7.168 13.231 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -14.646 4.331 12.848 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -15.324 5.776 12.062 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -14.824 4.381 11.078 1.00 0.00 H new ATOM 1854 N TRP A 120 -13.643 8.679 11.442 1.00 0.00 N ATOM 1855 CA TRP A 120 -14.477 9.856 11.658 1.00 0.00 C ATOM 1856 C TRP A 120 -14.425 10.793 10.453 1.00 0.00 C ATOM 1857 O TRP A 120 -15.320 11.615 10.257 1.00 0.00 O ATOM 1858 CB TRP A 120 -14.026 10.601 12.915 1.00 0.00 C ATOM 1859 CG TRP A 120 -12.573 10.962 12.900 1.00 0.00 C ATOM 1860 CD1 TRP A 120 -12.010 12.074 12.341 1.00 0.00 C ATOM 1861 CD2 TRP A 120 -11.496 10.208 13.467 1.00 0.00 C ATOM 1862 NE1 TRP A 120 -10.649 12.057 12.527 1.00 0.00 N ATOM 1863 CE2 TRP A 120 -10.309 10.922 13.216 1.00 0.00 C ATOM 1864 CE3 TRP A 120 -11.420 8.998 14.163 1.00 0.00 C ATOM 1865 CZ2 TRP A 120 -9.063 10.466 13.636 1.00 0.00 C ATOM 1866 CZ3 TRP A 120 -10.182 8.547 14.580 1.00 0.00 C ATOM 1867 CH2 TRP A 120 -9.018 9.279 14.316 1.00 0.00 C ATOM 0 H TRP A 120 -12.715 8.738 11.862 1.00 0.00 H new ATOM 0 HA TRP A 120 -15.506 9.521 11.789 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -14.618 11.510 13.022 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -14.231 9.982 13.789 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -12.555 12.853 11.828 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -9.997 12.773 12.205 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -12.312 8.426 14.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.164 11.029 13.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -10.111 7.614 15.119 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.066 8.899 14.656 1.00 0.00 H new ATOM 1878 N MET A 121 -13.374 10.664 9.649 1.00 0.00 N ATOM 1879 CA MET A 121 -13.209 11.498 8.465 1.00 0.00 C ATOM 1880 C MET A 121 -13.687 10.763 7.217 1.00 0.00 C ATOM 1881 O MET A 121 -14.070 11.385 6.226 1.00 0.00 O ATOM 1882 CB MET A 121 -11.743 11.906 8.302 1.00 0.00 C ATOM 1883 CG MET A 121 -11.490 12.800 7.098 1.00 0.00 C ATOM 1884 SD MET A 121 -11.035 14.483 7.562 1.00 0.00 S ATOM 1885 CE MET A 121 -9.508 14.685 6.649 1.00 0.00 C ATOM 0 H MET A 121 -12.624 9.989 9.797 1.00 0.00 H new ATOM 0 HA MET A 121 -13.814 12.395 8.593 1.00 0.00 H new ATOM 0 HB2 MET A 121 -11.416 12.424 9.204 1.00 0.00 H new ATOM 0 HB3 MET A 121 -11.132 11.008 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.695 12.368 6.491 1.00 0.00 H new ATOM 0 HG3 MET A 121 -12.386 12.828 6.477 1.00 0.00 H new ATOM 0 HE1 MET A 121 -9.103 15.680 6.834 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.788 13.934 6.974 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.703 14.564 5.583 1.00 0.00 H new ATOM 1895 N ASN A 122 -13.662 9.435 7.274 1.00 0.00 N ATOM 1896 CA ASN A 122 -14.092 8.611 6.152 1.00 0.00 C ATOM 1897 C ASN A 122 -13.209 8.851 4.932 1.00 0.00 C ATOM 1898 O ASN A 122 -13.703 9.026 3.818 1.00 0.00 O ATOM 1899 CB ASN A 122 -15.555 8.901 5.807 1.00 0.00 C ATOM 1900 CG ASN A 122 -16.518 8.053 6.614 1.00 0.00 C ATOM 1901 OD1 ASN A 122 -16.376 8.089 7.934 1.00 0.00 O flip ATOM 1902 ND2 ASN A 122 -17.380 7.373 6.057 1.00 0.00 N flip ATOM 0 H ASN A 122 -13.348 8.907 8.088 1.00 0.00 H new ATOM 0 HA ASN A 122 -13.999 7.565 6.445 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -15.766 9.955 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -15.718 8.720 4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -17.453 7.376 5.040 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -18.021 6.807 6.613 1.00 0.00 H new ATOM 1909 N PHE A 123 -11.898 8.857 5.151 1.00 0.00 N ATOM 1910 CA PHE A 123 -10.944 9.075 4.071 1.00 0.00 C ATOM 1911 C PHE A 123 -9.828 8.036 4.115 1.00 0.00 C ATOM 1912 O PHE A 123 -9.319 7.702 5.186 1.00 0.00 O ATOM 1913 CB PHE A 123 -10.352 10.483 4.161 1.00 0.00 C ATOM 1914 CG PHE A 123 -10.285 11.192 2.838 1.00 0.00 C ATOM 1915 CD1 PHE A 123 -9.611 10.626 1.767 1.00 0.00 C ATOM 1916 CD2 PHE A 123 -10.895 12.424 2.665 1.00 0.00 C ATOM 1917 CE1 PHE A 123 -9.547 11.275 0.549 1.00 0.00 C ATOM 1918 CE2 PHE A 123 -10.834 13.078 1.449 1.00 0.00 C ATOM 1919 CZ PHE A 123 -10.160 12.503 0.390 1.00 0.00 C ATOM 0 H PHE A 123 -11.473 8.713 6.067 1.00 0.00 H new ATOM 0 HA PHE A 123 -11.474 8.973 3.124 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -10.951 11.076 4.852 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.348 10.420 4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -9.130 9.666 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -11.424 12.878 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -9.019 10.823 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -11.313 14.038 1.327 1.00 0.00 H new ATOM 0 HZ PHE A 123 -10.112 13.012 -0.561 1.00 0.00 H new ATOM 1929 N ARG A 124 -9.452 7.528 2.946 1.00 0.00 N ATOM 1930 CA ARG A 124 -8.396 6.527 2.849 1.00 0.00 C ATOM 1931 C ARG A 124 -7.574 6.729 1.581 1.00 0.00 C ATOM 1932 O ARG A 124 -8.118 6.770 0.478 1.00 0.00 O ATOM 1933 CB ARG A 124 -8.996 5.120 2.863 1.00 0.00 C ATOM 1934 CG ARG A 124 -7.954 4.014 2.861 1.00 0.00 C ATOM 1935 CD ARG A 124 -7.664 3.519 1.453 1.00 0.00 C ATOM 1936 NE ARG A 124 -8.805 2.811 0.873 1.00 0.00 N ATOM 1937 CZ ARG A 124 -9.690 3.368 0.046 1.00 0.00 C ATOM 1938 NH1 ARG A 124 -9.583 4.645 -0.299 1.00 0.00 N1+ ATOM 1939 NH2 ARG A 124 -10.689 2.642 -0.436 1.00 0.00 N ATOM 0 H ARG A 124 -9.864 7.794 2.051 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.738 6.642 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -9.627 5.012 3.745 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.642 5.001 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.033 4.380 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.303 3.183 3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.402 4.366 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.799 2.856 1.473 1.00 0.00 H new ATOM 0 HE ARG A 124 -8.932 1.829 1.117 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -8.818 5.210 0.069 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -10.266 5.061 -0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.779 1.660 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.368 3.065 -1.069 1.00 0.00 H new ATOM 1953 N GLN A 125 -6.260 6.857 1.743 1.00 0.00 N ATOM 1954 CA GLN A 125 -5.371 7.056 0.604 1.00 0.00 C ATOM 1955 C GLN A 125 -3.922 6.753 0.974 1.00 0.00 C ATOM 1956 O GLN A 125 -3.608 6.484 2.133 1.00 0.00 O ATOM 1957 CB GLN A 125 -5.486 8.491 0.088 1.00 0.00 C ATOM 1958 CG GLN A 125 -5.027 9.537 1.091 1.00 0.00 C ATOM 1959 CD GLN A 125 -5.915 10.766 1.100 1.00 0.00 C ATOM 1960 OE1 GLN A 125 -6.841 10.883 0.297 1.00 0.00 O ATOM 1961 NE2 GLN A 125 -5.637 11.690 2.012 1.00 0.00 N ATOM 0 H GLN A 125 -5.790 6.827 2.648 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.675 6.365 -0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -4.895 8.589 -0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.523 8.689 -0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -5.012 9.097 2.088 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.004 9.834 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -4.860 11.552 2.658 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -6.201 12.538 2.067 1.00 0.00 H new ATOM 1970 N LEU A 126 -3.043 6.803 -0.023 1.00 0.00 N ATOM 1971 CA LEU A 126 -1.624 6.540 0.190 1.00 0.00 C ATOM 1972 C LEU A 126 -0.894 7.818 0.589 1.00 0.00 C ATOM 1973 O LEU A 126 -1.129 8.883 0.017 1.00 0.00 O ATOM 1974 CB LEU A 126 -0.999 5.949 -1.077 1.00 0.00 C ATOM 1975 CG LEU A 126 0.524 5.800 -1.046 1.00 0.00 C ATOM 1976 CD1 LEU A 126 0.952 4.525 -1.757 1.00 0.00 C ATOM 1977 CD2 LEU A 126 1.189 7.014 -1.678 1.00 0.00 C ATOM 0 H LEU A 126 -3.290 7.024 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 126 -1.526 5.819 1.001 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -1.440 4.969 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.269 6.580 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 126 0.843 5.734 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 126 2.038 4.437 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.503 3.664 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.622 4.559 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 126 2.272 6.893 -1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 126 0.863 7.109 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.909 7.911 -1.126 1.00 0.00 H new ATOM 1989 N GLN A 127 -0.010 7.708 1.575 1.00 0.00 N ATOM 1990 CA GLN A 127 0.749 8.859 2.051 1.00 0.00 C ATOM 1991 C GLN A 127 2.102 8.954 1.358 1.00 0.00 C ATOM 1992 O GLN A 127 2.407 9.954 0.708 1.00 0.00 O ATOM 1993 CB GLN A 127 0.944 8.775 3.566 1.00 0.00 C ATOM 1994 CG GLN A 127 -0.247 9.284 4.360 1.00 0.00 C ATOM 1995 CD GLN A 127 -1.561 8.721 3.858 1.00 0.00 C ATOM 1996 OE1 GLN A 127 -1.804 7.518 3.937 1.00 0.00 O ATOM 1997 NE2 GLN A 127 -2.413 9.590 3.331 1.00 0.00 N ATOM 0 H GLN A 127 0.198 6.835 2.060 1.00 0.00 H new ATOM 0 HA GLN A 127 0.180 9.757 1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 127 1.139 7.739 3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.828 9.350 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -0.120 9.020 5.410 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.277 10.372 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -2.170 10.580 3.286 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.312 9.269 2.971 1.00 0.00 H new ATOM 2006 N GLU A 128 2.917 7.915 1.507 1.00 0.00 N ATOM 2007 CA GLU A 128 4.241 7.901 0.896 1.00 0.00 C ATOM 2008 C GLU A 128 4.603 6.518 0.362 1.00 0.00 C ATOM 2009 O GLU A 128 4.068 5.499 0.809 1.00 0.00 O ATOM 2010 CB GLU A 128 5.300 8.359 1.903 1.00 0.00 C ATOM 2011 CG GLU A 128 4.821 9.454 2.843 1.00 0.00 C ATOM 2012 CD GLU A 128 4.604 10.777 2.135 1.00 0.00 C ATOM 2013 OE1 GLU A 128 5.338 11.058 1.164 1.00 0.00 O ATOM 2014 OE2 GLU A 128 3.699 11.531 2.550 1.00 0.00 O1- ATOM 0 H GLU A 128 2.686 7.077 2.042 1.00 0.00 H new ATOM 0 HA GLU A 128 4.217 8.593 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.621 7.501 2.494 1.00 0.00 H new ATOM 0 HB3 GLU A 128 6.174 8.717 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.889 9.141 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.552 9.589 3.640 1.00 0.00 H new ATOM 2021 N PHE A 129 5.527 6.502 -0.594 1.00 0.00 N ATOM 2022 CA PHE A 129 5.992 5.264 -1.207 1.00 0.00 C ATOM 2023 C PHE A 129 7.510 5.292 -1.358 1.00 0.00 C ATOM 2024 O PHE A 129 8.047 6.037 -2.178 1.00 0.00 O ATOM 2025 CB PHE A 129 5.334 5.072 -2.576 1.00 0.00 C ATOM 2026 CG PHE A 129 5.238 3.636 -3.007 1.00 0.00 C ATOM 2027 CD1 PHE A 129 6.284 3.029 -3.684 1.00 0.00 C ATOM 2028 CD2 PHE A 129 4.099 2.894 -2.738 1.00 0.00 C ATOM 2029 CE1 PHE A 129 6.195 1.710 -4.085 1.00 0.00 C ATOM 2030 CE2 PHE A 129 4.005 1.574 -3.136 1.00 0.00 C ATOM 2031 CZ PHE A 129 5.054 0.981 -3.811 1.00 0.00 C ATOM 0 H PHE A 129 5.972 7.342 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 129 5.715 4.429 -0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 129 4.333 5.502 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 129 5.901 5.628 -3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 129 7.179 3.594 -3.901 1.00 0.00 H new ATOM 0 HD2 PHE A 129 3.275 3.353 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 129 7.017 1.249 -4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.112 1.007 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 129 4.982 -0.050 -4.124 1.00 0.00 H new ATOM 2041 N THR A 130 8.199 4.485 -0.558 1.00 0.00 N ATOM 2042 CA THR A 130 9.657 4.432 -0.603 1.00 0.00 C ATOM 2043 C THR A 130 10.137 3.243 -1.427 1.00 0.00 C ATOM 2044 O THR A 130 9.459 2.221 -1.512 1.00 0.00 O ATOM 2045 CB THR A 130 10.228 4.349 0.814 1.00 0.00 C ATOM 2046 OG1 THR A 130 10.042 3.052 1.354 1.00 0.00 O ATOM 2047 CG2 THR A 130 9.601 5.339 1.771 1.00 0.00 C ATOM 0 H THR A 130 7.774 3.861 0.127 1.00 0.00 H new ATOM 0 HA THR A 130 10.013 5.345 -1.080 1.00 0.00 H new ATOM 0 HB THR A 130 11.287 4.587 0.713 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.415 3.018 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.051 5.227 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.770 6.353 1.408 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.529 5.152 1.838 1.00 0.00 H new ATOM 2055 N TYR A 131 11.312 3.386 -2.032 1.00 0.00 N ATOM 2056 CA TYR A 131 11.883 2.323 -2.851 1.00 0.00 C ATOM 2057 C TYR A 131 13.117 1.724 -2.183 1.00 0.00 C ATOM 2058 O TYR A 131 14.156 2.376 -2.077 1.00 0.00 O ATOM 2059 CB TYR A 131 12.247 2.858 -4.237 1.00 0.00 C ATOM 2060 CG TYR A 131 13.139 4.079 -4.200 1.00 0.00 C ATOM 2061 CD1 TYR A 131 12.602 5.349 -4.027 1.00 0.00 C ATOM 2062 CD2 TYR A 131 14.516 3.962 -4.339 1.00 0.00 C ATOM 2063 CE1 TYR A 131 13.414 6.467 -3.993 1.00 0.00 C ATOM 2064 CE2 TYR A 131 15.334 5.075 -4.306 1.00 0.00 C ATOM 2065 CZ TYR A 131 14.778 6.325 -4.133 1.00 0.00 C ATOM 2066 OH TYR A 131 15.589 7.436 -4.099 1.00 0.00 O ATOM 0 H TYR A 131 11.887 4.227 -1.971 1.00 0.00 H new ATOM 0 HA TYR A 131 11.134 1.539 -2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 131 12.746 2.071 -4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 131 11.331 3.104 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.534 5.464 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 131 14.955 2.985 -4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.982 7.447 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 131 16.403 4.967 -4.415 1.00 0.00 H new ATOM 0 HH TYR A 131 16.523 7.162 -4.211 1.00 0.00 H new ATOM 2076 N LEU A 132 12.995 0.479 -1.735 1.00 0.00 N ATOM 2077 CA LEU A 132 14.100 -0.209 -1.078 1.00 0.00 C ATOM 2078 C LEU A 132 14.990 -0.908 -2.100 1.00 0.00 C ATOM 2079 O LEU A 132 14.847 -0.705 -3.306 1.00 0.00 O ATOM 2080 CB LEU A 132 13.569 -1.227 -0.065 1.00 0.00 C ATOM 2081 CG LEU A 132 12.299 -0.805 0.677 1.00 0.00 C ATOM 2082 CD1 LEU A 132 11.917 -1.848 1.716 1.00 0.00 C ATOM 2083 CD2 LEU A 132 12.492 0.555 1.330 1.00 0.00 C ATOM 0 H LEU A 132 12.142 -0.074 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 132 14.696 0.537 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 132 13.372 -2.165 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 132 14.350 -1.427 0.669 1.00 0.00 H new ATOM 0 HG LEU A 132 11.487 -0.727 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 132 11.012 -1.531 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 132 11.738 -2.804 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.728 -1.958 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 132 11.579 0.840 1.853 1.00 0.00 H new ATOM 0 HD22 LEU A 132 13.317 0.504 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 132 12.718 1.297 0.565 1.00 0.00 H new ATOM 2095 N GLY A 133 15.910 -1.733 -1.610 1.00 0.00 N ATOM 2096 CA GLY A 133 16.810 -2.449 -2.494 1.00 0.00 C ATOM 2097 C GLY A 133 16.132 -3.609 -3.197 1.00 0.00 C ATOM 2098 O GLY A 133 15.938 -3.580 -4.412 1.00 0.00 O ATOM 0 H GLY A 133 16.048 -1.918 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 133 17.208 -1.759 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 133 17.658 -2.822 -1.920 1.00 0.00 H new ATOM 2102 N ASP A 134 15.770 -4.633 -2.430 1.00 0.00 N ATOM 2103 CA ASP A 134 15.109 -5.808 -2.986 1.00 0.00 C ATOM 2104 C ASP A 134 14.718 -6.785 -1.882 1.00 0.00 C ATOM 2105 O ASP A 134 15.245 -6.726 -0.771 1.00 0.00 O ATOM 2106 CB ASP A 134 16.023 -6.502 -3.997 1.00 0.00 C ATOM 2107 CG ASP A 134 15.342 -7.668 -4.687 1.00 0.00 C ATOM 2108 OD1 ASP A 134 14.190 -7.500 -5.138 1.00 0.00 O1- ATOM 2109 OD2 ASP A 134 15.961 -8.749 -4.774 1.00 0.00 O ATOM 0 H ASP A 134 15.923 -4.672 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 134 14.202 -5.479 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 134 16.347 -5.779 -4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 134 16.919 -6.857 -3.488 1.00 0.00 H new ATOM 2114 N ALA A 135 13.790 -7.684 -2.196 1.00 0.00 N ATOM 2115 CA ALA A 135 13.328 -8.674 -1.231 1.00 0.00 C ATOM 2116 C ALA A 135 13.868 -10.060 -1.566 1.00 0.00 C ATOM 2117 O ALA A 135 13.422 -10.639 -2.579 1.00 0.00 O ATOM 2118 CB ALA A 135 11.808 -8.695 -1.184 1.00 0.00 C ATOM 2119 OXT ALA A 135 14.733 -10.555 -0.813 1.00 0.00 O ATOM 0 H ALA A 135 13.344 -7.747 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 135 13.707 -8.393 -0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 135 11.477 -9.439 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 135 11.439 -7.712 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 135 11.417 -8.949 -2.169 1.00 0.00 H new