USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 949 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 71 TYR OH : rot 67:sc= 0 USER MOD Set 1.2: A 103 ASN : amide:sc=0.000359 X(o=0.00036,f=0) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0824 (180deg=0) USER MOD Single : A 2 SER OG : rot -56:sc= 0.113 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.11 K(o=-2.1,f=-4.2!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc=-0.00197 K(o=-0.002,f=-1.5) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.638 USER MOD Single : A 24 GLN : amide:sc= -4.48! C(o=-4.5!,f=-12!) USER MOD Single : A 25 THR OG1 : rot -38:sc= 0.622 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -0.0225 (180deg=-0.182) USER MOD Single : A 51 GLN : amide:sc= -0.628 K(o=-0.63,f=-5.1!) USER MOD Single : A 54 HIS : no HD1:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 72 ASN : amide:sc= -3.62! C(o=-3.6!,f=-4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 74:sc= 0.00932 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 134:sc= -0.862 USER MOD Single : A 92 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.32) USER MOD Single : A 95 LYS NZ :NH3+ -105:sc= -0.19 (180deg=-2.31!) USER MOD Single : A 97 ASN : amide:sc= -0.0414 K(o=-0.041,f=-1.5!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.0526 K(o=-0.053,f=-0.58) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -59:sc= 0.611 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.602 -16.025 -4.547 1.00 0.00 N ATOM 2 CA GLY A 1 3.449 -15.361 -3.573 1.00 0.00 C ATOM 3 C GLY A 1 4.920 -15.652 -3.790 1.00 0.00 C ATOM 4 O GLY A 1 5.306 -16.203 -4.821 1.00 0.00 O ATOM 0 H1 GLY A 1 2.024 -15.318 -5.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.195 -16.532 -5.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.979 -16.702 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.283 -14.285 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.163 -15.679 -2.570 1.00 0.00 H new ATOM 8 N SER A 2 5.746 -15.278 -2.817 1.00 0.00 N ATOM 9 CA SER A 2 7.185 -15.497 -2.910 1.00 0.00 C ATOM 10 C SER A 2 7.657 -16.467 -1.831 1.00 0.00 C ATOM 11 O SER A 2 8.694 -16.257 -1.203 1.00 0.00 O ATOM 12 CB SER A 2 7.933 -14.169 -2.781 1.00 0.00 C ATOM 13 OG SER A 2 9.275 -14.296 -3.218 1.00 0.00 O ATOM 0 H SER A 2 5.443 -14.822 -1.956 1.00 0.00 H new ATOM 0 HA SER A 2 7.400 -15.933 -3.885 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.426 -13.404 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.915 -13.837 -1.743 1.00 0.00 H new ATOM 0 HG SER A 2 9.714 -15.017 -2.721 1.00 0.00 H new ATOM 19 N SER A 3 6.887 -17.530 -1.621 1.00 0.00 N ATOM 20 CA SER A 3 7.223 -18.531 -0.616 1.00 0.00 C ATOM 21 C SER A 3 7.067 -17.962 0.791 1.00 0.00 C ATOM 22 O SER A 3 7.893 -18.210 1.669 1.00 0.00 O ATOM 23 CB SER A 3 8.655 -19.029 -0.820 1.00 0.00 C ATOM 24 OG SER A 3 8.808 -20.353 -0.339 1.00 0.00 O ATOM 0 H SER A 3 6.026 -17.720 -2.134 1.00 0.00 H new ATOM 0 HA SER A 3 6.535 -19.369 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.909 -18.992 -1.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.350 -18.368 -0.302 1.00 0.00 H new ATOM 0 HG SER A 3 9.731 -20.648 -0.482 1.00 0.00 H new ATOM 30 N GLY A 4 5.999 -17.196 0.998 1.00 0.00 N ATOM 31 CA GLY A 4 5.753 -16.603 2.299 1.00 0.00 C ATOM 32 C GLY A 4 4.279 -16.569 2.651 1.00 0.00 C ATOM 33 O GLY A 4 3.502 -15.845 2.029 1.00 0.00 O ATOM 0 H GLY A 4 5.301 -16.976 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.292 -17.167 3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.150 -15.588 2.313 1.00 0.00 H new ATOM 37 N SER A 5 3.893 -17.356 3.651 1.00 0.00 N ATOM 38 CA SER A 5 2.501 -17.417 4.081 1.00 0.00 C ATOM 39 C SER A 5 1.898 -16.019 4.172 1.00 0.00 C ATOM 40 O SER A 5 2.165 -15.276 5.116 1.00 0.00 O ATOM 41 CB SER A 5 2.394 -18.120 5.436 1.00 0.00 C ATOM 42 OG SER A 5 1.045 -18.204 5.862 1.00 0.00 O ATOM 0 H SER A 5 4.524 -17.960 4.178 1.00 0.00 H new ATOM 0 HA SER A 5 1.942 -17.987 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.819 -19.121 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.980 -17.577 6.178 1.00 0.00 H new ATOM 0 HG SER A 5 1.004 -18.659 6.729 1.00 0.00 H new ATOM 48 N SER A 6 1.083 -15.667 3.183 1.00 0.00 N ATOM 49 CA SER A 6 0.444 -14.356 3.148 1.00 0.00 C ATOM 50 C SER A 6 -1.029 -14.480 2.772 1.00 0.00 C ATOM 51 O SER A 6 -1.383 -15.177 1.823 1.00 0.00 O ATOM 52 CB SER A 6 1.161 -13.443 2.151 1.00 0.00 C ATOM 53 OG SER A 6 0.812 -13.769 0.817 1.00 0.00 O ATOM 0 H SER A 6 0.849 -16.271 2.395 1.00 0.00 H new ATOM 0 HA SER A 6 0.511 -13.919 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.902 -12.404 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.239 -13.534 2.280 1.00 0.00 H new ATOM 0 HG SER A 6 1.282 -13.170 0.200 1.00 0.00 H new ATOM 59 N GLY A 7 -1.885 -13.797 3.526 1.00 0.00 N ATOM 60 CA GLY A 7 -3.310 -13.842 3.258 1.00 0.00 C ATOM 61 C GLY A 7 -4.139 -13.850 4.528 1.00 0.00 C ATOM 62 O GLY A 7 -5.187 -14.493 4.590 1.00 0.00 O ATOM 0 H GLY A 7 -1.616 -13.213 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.590 -12.981 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.539 -14.733 2.673 1.00 0.00 H new ATOM 66 N LYS A 8 -3.669 -13.136 5.544 1.00 0.00 N ATOM 67 CA LYS A 8 -4.372 -13.062 6.819 1.00 0.00 C ATOM 68 C LYS A 8 -4.919 -11.659 7.059 1.00 0.00 C ATOM 69 O LYS A 8 -4.385 -10.666 6.565 1.00 0.00 O ATOM 70 CB LYS A 8 -3.438 -13.459 7.964 1.00 0.00 C ATOM 71 CG LYS A 8 -2.863 -14.858 7.823 1.00 0.00 C ATOM 72 CD LYS A 8 -2.219 -15.330 9.116 1.00 0.00 C ATOM 73 CE LYS A 8 -1.740 -16.769 9.008 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.843 -17.740 9.245 1.00 0.00 N ATOM 0 H LYS A 8 -2.802 -12.599 5.509 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.210 -13.758 6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.619 -12.742 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.983 -13.392 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.655 -15.550 7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.124 -14.869 7.022 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.377 -14.683 9.362 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.936 -15.244 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.315 -16.937 8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.943 -16.942 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.476 -18.709 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.232 -17.597 10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.593 -17.593 8.539 1.00 0.00 H new ATOM 88 N PRO A 9 -6.009 -11.572 7.836 1.00 0.00 N ATOM 89 CA PRO A 9 -6.650 -10.295 8.160 1.00 0.00 C ATOM 90 C PRO A 9 -5.799 -9.438 9.091 1.00 0.00 C ATOM 91 O PRO A 9 -4.704 -9.836 9.488 1.00 0.00 O ATOM 92 CB PRO A 9 -7.947 -10.715 8.857 1.00 0.00 C ATOM 93 CG PRO A 9 -7.654 -12.064 9.420 1.00 0.00 C ATOM 94 CD PRO A 9 -6.699 -12.715 8.458 1.00 0.00 C ATOM 0 HA PRO A 9 -6.806 -9.682 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.221 -10.010 9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.780 -10.751 8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.214 -11.985 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.567 -12.651 9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.000 -13.376 8.971 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.224 -13.319 7.718 1.00 0.00 H new ATOM 102 N ASN A 10 -6.309 -8.260 9.435 1.00 0.00 N ATOM 103 CA ASN A 10 -5.594 -7.347 10.320 1.00 0.00 C ATOM 104 C ASN A 10 -6.494 -6.876 11.458 1.00 0.00 C ATOM 105 O ASN A 10 -7.645 -7.300 11.570 1.00 0.00 O ATOM 106 CB ASN A 10 -5.076 -6.142 9.532 1.00 0.00 C ATOM 107 CG ASN A 10 -3.857 -5.511 10.176 1.00 0.00 C ATOM 108 OD1 ASN A 10 -3.248 -6.088 11.077 1.00 0.00 O ATOM 109 ND2 ASN A 10 -3.496 -4.318 9.717 1.00 0.00 N ATOM 0 H ASN A 10 -7.214 -7.915 9.115 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.748 -7.884 10.749 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.827 -6.454 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.867 -5.397 9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.685 -3.843 10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.030 -3.877 8.969 1.00 0.00 H new ATOM 116 N LEU A 11 -5.963 -5.997 12.300 1.00 0.00 N ATOM 117 CA LEU A 11 -6.717 -5.467 13.430 1.00 0.00 C ATOM 118 C LEU A 11 -7.973 -4.743 12.955 1.00 0.00 C ATOM 119 O LEU A 11 -9.080 -5.040 13.402 1.00 0.00 O ATOM 120 CB LEU A 11 -5.845 -4.515 14.250 1.00 0.00 C ATOM 121 CG LEU A 11 -5.032 -5.152 15.378 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.768 -5.795 14.827 1.00 0.00 C ATOM 123 CD2 LEU A 11 -4.687 -4.117 16.438 1.00 0.00 C ATOM 0 H LEU A 11 -5.012 -5.636 12.221 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.019 -6.305 14.058 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.156 -4.011 13.572 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.487 -3.747 14.681 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.639 -5.929 15.842 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.202 -6.243 15.644 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.037 -6.567 14.106 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.158 -5.036 14.336 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.109 -4.589 17.232 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.100 -3.317 15.988 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.605 -3.703 16.855 1.00 0.00 H new ATOM 135 N GLY A 12 -7.792 -3.792 12.044 1.00 0.00 N ATOM 136 CA GLY A 12 -8.919 -3.041 11.521 1.00 0.00 C ATOM 137 C GLY A 12 -9.543 -3.702 10.308 1.00 0.00 C ATOM 138 O GLY A 12 -9.640 -3.094 9.243 1.00 0.00 O ATOM 0 H GLY A 12 -6.885 -3.528 11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.673 -2.933 12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.590 -2.036 11.255 1.00 0.00 H new ATOM 142 N ASN A 13 -9.966 -4.952 10.469 1.00 0.00 N ATOM 143 CA ASN A 13 -10.582 -5.697 9.377 1.00 0.00 C ATOM 144 C ASN A 13 -9.781 -5.536 8.089 1.00 0.00 C ATOM 145 O ASN A 13 -10.347 -5.447 7.000 1.00 0.00 O ATOM 146 CB ASN A 13 -12.021 -5.225 9.159 1.00 0.00 C ATOM 147 CG ASN A 13 -12.927 -5.577 10.323 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.404 -6.707 10.434 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.170 -4.607 11.197 1.00 0.00 N ATOM 0 H ASN A 13 -9.893 -5.470 11.345 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.590 -6.753 9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.028 -4.145 9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.414 -5.675 8.247 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.773 -4.784 12.000 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.753 -3.685 11.065 1.00 0.00 H new ATOM 156 N GLY A 14 -8.458 -5.498 8.221 1.00 0.00 N ATOM 157 CA GLY A 14 -7.601 -5.348 7.060 1.00 0.00 C ATOM 158 C GLY A 14 -6.906 -6.641 6.682 1.00 0.00 C ATOM 159 O GLY A 14 -7.527 -7.703 6.655 1.00 0.00 O ATOM 0 H GLY A 14 -7.965 -5.568 9.111 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.196 -4.998 6.216 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.852 -4.582 7.261 1.00 0.00 H new ATOM 163 N ALA A 15 -5.613 -6.552 6.387 1.00 0.00 N ATOM 164 CA ALA A 15 -4.833 -7.724 6.008 1.00 0.00 C ATOM 165 C ALA A 15 -3.376 -7.574 6.431 1.00 0.00 C ATOM 166 O ALA A 15 -2.698 -6.626 6.033 1.00 0.00 O ATOM 167 CB ALA A 15 -4.928 -7.959 4.508 1.00 0.00 C ATOM 0 H ALA A 15 -5.084 -5.680 6.403 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.247 -8.589 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.341 -8.837 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.970 -8.120 4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.542 -7.088 3.978 1.00 0.00 H new ATOM 173 N ASP A 16 -2.900 -8.513 7.241 1.00 0.00 N ATOM 174 CA ASP A 16 -1.523 -8.486 7.718 1.00 0.00 C ATOM 175 C ASP A 16 -0.585 -9.141 6.709 1.00 0.00 C ATOM 176 O ASP A 16 -0.632 -10.353 6.497 1.00 0.00 O ATOM 177 CB ASP A 16 -1.414 -9.194 9.069 1.00 0.00 C ATOM 178 CG ASP A 16 -0.126 -8.861 9.796 1.00 0.00 C ATOM 179 OD1 ASP A 16 -0.105 -7.856 10.536 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.861 -9.606 9.624 1.00 0.00 O ATOM 0 H ASP A 16 -3.448 -9.303 7.581 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.227 -7.444 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.263 -8.913 9.693 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.473 -10.272 8.917 1.00 0.00 H new ATOM 185 N LEU A 17 0.267 -8.332 6.088 1.00 0.00 N ATOM 186 CA LEU A 17 1.216 -8.832 5.100 1.00 0.00 C ATOM 187 C LEU A 17 2.649 -8.697 5.604 1.00 0.00 C ATOM 188 O LEU A 17 2.966 -7.834 6.422 1.00 0.00 O ATOM 189 CB LEU A 17 1.054 -8.076 3.780 1.00 0.00 C ATOM 190 CG LEU A 17 -0.370 -7.651 3.420 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.358 -6.682 2.248 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.225 -8.869 3.099 1.00 0.00 C ATOM 0 H LEU A 17 0.320 -7.327 6.252 1.00 0.00 H new ATOM 0 HA LEU A 17 1.007 -9.889 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.680 -7.184 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.439 -8.703 2.976 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.805 -7.143 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.380 -6.391 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.218 -5.796 2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.096 -7.164 1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.235 -8.548 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.792 -9.405 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.261 -9.527 3.967 1.00 0.00 H new ATOM 204 N PRO A 18 3.537 -9.569 5.104 1.00 0.00 N ATOM 205 CA PRO A 18 4.952 -9.565 5.487 1.00 0.00 C ATOM 206 C PRO A 18 5.696 -8.348 4.948 1.00 0.00 C ATOM 207 O PRO A 18 6.749 -7.975 5.462 1.00 0.00 O ATOM 208 CB PRO A 18 5.495 -10.848 4.852 1.00 0.00 C ATOM 209 CG PRO A 18 4.586 -11.116 3.703 1.00 0.00 C ATOM 210 CD PRO A 18 3.229 -10.625 4.125 1.00 0.00 C ATOM 0 HA PRO A 18 5.081 -9.520 6.568 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.525 -10.720 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.489 -11.675 5.563 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.927 -10.598 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.560 -12.180 3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.662 -10.236 3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.633 -11.423 4.569 1.00 0.00 H new ATOM 218 N ASN A 19 5.140 -7.733 3.909 1.00 0.00 N ATOM 219 CA ASN A 19 5.751 -6.557 3.300 1.00 0.00 C ATOM 220 C ASN A 19 5.252 -5.278 3.966 1.00 0.00 C ATOM 221 O ASN A 19 5.997 -4.308 4.106 1.00 0.00 O ATOM 222 CB ASN A 19 5.447 -6.517 1.801 1.00 0.00 C ATOM 223 CG ASN A 19 6.346 -7.443 1.004 1.00 0.00 C ATOM 224 OD1 ASN A 19 7.169 -8.164 1.568 1.00 0.00 O ATOM 225 ND2 ASN A 19 6.191 -7.427 -0.314 1.00 0.00 N ATOM 0 H ASN A 19 4.268 -8.029 3.471 1.00 0.00 H new ATOM 0 HA ASN A 19 6.829 -6.623 3.444 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.406 -6.795 1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.566 -5.497 1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.767 -8.029 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.496 -6.813 -0.738 1.00 0.00 H new ATOM 232 N TYR A 20 3.989 -5.285 4.375 1.00 0.00 N ATOM 233 CA TYR A 20 3.389 -4.126 5.025 1.00 0.00 C ATOM 234 C TYR A 20 2.035 -4.480 5.631 1.00 0.00 C ATOM 235 O TYR A 20 1.421 -5.482 5.263 1.00 0.00 O ATOM 236 CB TYR A 20 3.228 -2.980 4.024 1.00 0.00 C ATOM 237 CG TYR A 20 2.809 -3.436 2.644 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.528 -3.922 2.411 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.694 -3.383 1.575 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.141 -4.340 1.153 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.315 -3.797 0.313 1.00 0.00 C ATOM 242 CZ TYR A 20 2.037 -4.276 0.107 1.00 0.00 C ATOM 243 OH TYR A 20 1.656 -4.691 -1.148 1.00 0.00 O ATOM 0 H TYR A 20 3.360 -6.081 4.268 1.00 0.00 H new ATOM 0 HA TYR A 20 4.054 -3.808 5.828 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.488 -2.277 4.406 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.172 -2.440 3.948 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.823 -3.974 3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.696 -3.012 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.142 -4.715 0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.015 -3.746 -0.508 1.00 0.00 H new ATOM 0 HH TYR A 20 2.404 -4.579 -1.771 1.00 0.00 H new ATOM 253 N ARG A 21 1.575 -3.650 6.561 1.00 0.00 N ATOM 254 CA ARG A 21 0.293 -3.875 7.220 1.00 0.00 C ATOM 255 C ARG A 21 -0.650 -2.697 6.991 1.00 0.00 C ATOM 256 O ARG A 21 -0.272 -1.541 7.180 1.00 0.00 O ATOM 257 CB ARG A 21 0.498 -4.094 8.720 1.00 0.00 C ATOM 258 CG ARG A 21 1.265 -2.972 9.400 1.00 0.00 C ATOM 259 CD ARG A 21 0.924 -2.881 10.879 1.00 0.00 C ATOM 260 NE ARG A 21 1.752 -1.898 11.572 1.00 0.00 N ATOM 261 CZ ARG A 21 3.053 -2.056 11.790 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.671 -3.151 11.370 1.00 0.00 N ATOM 263 NH2 ARG A 21 3.739 -1.116 12.428 1.00 0.00 N ATOM 0 H ARG A 21 2.070 -2.816 6.876 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.158 -4.768 6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.475 -4.200 9.199 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.032 -5.032 8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.336 -3.138 9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.034 -2.025 8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.127 -2.615 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.057 -3.858 11.343 1.00 0.00 H new ATOM 0 HE ARG A 21 1.307 -1.043 11.907 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.148 -3.875 10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.670 -3.269 11.539 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.267 -0.271 12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.738 -1.238 12.595 1.00 0.00 H new ATOM 277 N TRP A 22 -1.876 -3.000 6.582 1.00 0.00 N ATOM 278 CA TRP A 22 -2.873 -1.966 6.327 1.00 0.00 C ATOM 279 C TRP A 22 -4.237 -2.380 6.867 1.00 0.00 C ATOM 280 O TRP A 22 -4.600 -3.556 6.833 1.00 0.00 O ATOM 281 CB TRP A 22 -2.970 -1.681 4.827 1.00 0.00 C ATOM 282 CG TRP A 22 -3.497 -2.840 4.036 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.771 -3.865 3.500 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.864 -3.090 3.689 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.604 -4.738 2.842 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.893 -4.285 2.944 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.066 -2.423 3.938 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.076 -4.823 2.445 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.240 -2.958 3.442 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.238 -4.148 2.704 1.00 0.00 C ATOM 0 H TRP A 22 -2.204 -3.952 6.420 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.559 -1.059 6.843 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.617 -0.818 4.669 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.983 -1.412 4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.700 -3.974 3.581 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.310 -5.586 2.357 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.078 -1.506 4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.077 -5.740 1.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.175 -2.450 3.627 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.172 -4.541 2.332 1.00 0.00 H new ATOM 301 N THR A 23 -4.991 -1.405 7.368 1.00 0.00 N ATOM 302 CA THR A 23 -6.315 -1.669 7.917 1.00 0.00 C ATOM 303 C THR A 23 -7.394 -0.935 7.128 1.00 0.00 C ATOM 304 O THR A 23 -7.093 -0.173 6.210 1.00 0.00 O ATOM 305 CB THR A 23 -6.403 -1.251 9.397 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.005 0.117 9.544 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.521 -2.137 10.263 1.00 0.00 C ATOM 0 H THR A 23 -4.707 -0.426 7.404 1.00 0.00 H new ATOM 0 HA THR A 23 -6.480 -2.744 7.840 1.00 0.00 H new ATOM 0 HB THR A 23 -7.437 -1.365 9.723 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.065 0.376 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.600 -1.823 11.304 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.845 -3.174 10.172 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.485 -2.051 9.935 1.00 0.00 H new ATOM 315 N GLN A 24 -8.650 -1.169 7.493 1.00 0.00 N ATOM 316 CA GLN A 24 -9.773 -0.529 6.818 1.00 0.00 C ATOM 317 C GLN A 24 -10.964 -0.386 7.760 1.00 0.00 C ATOM 318 O GLN A 24 -11.266 -1.291 8.539 1.00 0.00 O ATOM 319 CB GLN A 24 -10.179 -1.334 5.582 1.00 0.00 C ATOM 320 CG GLN A 24 -10.586 -2.764 5.895 1.00 0.00 C ATOM 321 CD GLN A 24 -11.167 -3.482 4.692 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.096 -2.990 4.051 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.621 -4.651 4.379 1.00 0.00 N ATOM 0 H GLN A 24 -8.916 -1.797 8.252 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.457 0.467 6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.008 -0.829 5.086 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.347 -1.348 4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.717 -3.314 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.320 -2.761 6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.852 -5.021 4.938 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.970 -5.179 3.579 1.00 0.00 H new ATOM 332 N THR A 25 -11.638 0.758 7.684 1.00 0.00 N ATOM 333 CA THR A 25 -12.796 1.020 8.531 1.00 0.00 C ATOM 334 C THR A 25 -13.931 1.647 7.730 1.00 0.00 C ATOM 335 O THR A 25 -13.790 1.912 6.536 1.00 0.00 O ATOM 336 CB THR A 25 -12.434 1.951 9.703 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.985 3.216 9.205 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.352 1.330 10.574 1.00 0.00 C ATOM 0 H THR A 25 -11.402 1.517 7.045 1.00 0.00 H new ATOM 0 HA THR A 25 -13.123 0.059 8.928 1.00 0.00 H new ATOM 0 HB THR A 25 -13.327 2.097 10.310 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.442 3.077 8.401 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.113 2.006 11.395 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.709 0.382 10.977 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.458 1.156 9.975 1.00 0.00 H new ATOM 346 N LEU A 26 -15.057 1.884 8.395 1.00 0.00 N ATOM 347 CA LEU A 26 -16.218 2.481 7.745 1.00 0.00 C ATOM 348 C LEU A 26 -16.068 3.996 7.648 1.00 0.00 C ATOM 349 O LEU A 26 -17.045 4.714 7.435 1.00 0.00 O ATOM 350 CB LEU A 26 -17.494 2.131 8.513 1.00 0.00 C ATOM 351 CG LEU A 26 -18.065 0.735 8.264 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.252 0.473 9.179 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.468 0.576 6.805 1.00 0.00 C ATOM 0 H LEU A 26 -15.190 1.672 9.384 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.287 2.076 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.292 2.234 9.579 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.259 2.865 8.261 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.291 0.001 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.645 -0.525 8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.933 0.544 10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.030 1.212 8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.872 -0.424 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.226 1.318 6.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.595 0.720 6.169 1.00 0.00 H new ATOM 365 N ALA A 27 -14.839 4.475 7.805 1.00 0.00 N ATOM 366 CA ALA A 27 -14.560 5.904 7.731 1.00 0.00 C ATOM 367 C ALA A 27 -13.447 6.196 6.730 1.00 0.00 C ATOM 368 O ALA A 27 -13.548 7.126 5.931 1.00 0.00 O ATOM 369 CB ALA A 27 -14.190 6.441 9.106 1.00 0.00 C ATOM 0 H ALA A 27 -14.020 3.894 7.984 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.463 6.408 7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.984 7.509 9.036 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.017 6.275 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.303 5.924 9.472 1.00 0.00 H new ATOM 375 N GLU A 28 -12.387 5.395 6.781 1.00 0.00 N ATOM 376 CA GLU A 28 -11.255 5.570 5.878 1.00 0.00 C ATOM 377 C GLU A 28 -10.313 4.372 5.950 1.00 0.00 C ATOM 378 O GLU A 28 -10.555 3.421 6.694 1.00 0.00 O ATOM 379 CB GLU A 28 -10.495 6.853 6.221 1.00 0.00 C ATOM 380 CG GLU A 28 -10.108 6.958 7.687 1.00 0.00 C ATOM 381 CD GLU A 28 -9.679 8.358 8.078 1.00 0.00 C ATOM 382 OE1 GLU A 28 -10.477 9.299 7.885 1.00 0.00 O ATOM 383 OE2 GLU A 28 -8.545 8.513 8.578 1.00 0.00 O ATOM 0 H GLU A 28 -12.289 4.620 7.437 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.641 5.646 4.861 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.593 6.905 5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.110 7.712 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.954 6.655 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.296 6.262 7.895 1.00 0.00 H new ATOM 390 N LEU A 29 -9.238 4.426 5.171 1.00 0.00 N ATOM 391 CA LEU A 29 -8.258 3.345 5.144 1.00 0.00 C ATOM 392 C LEU A 29 -6.939 3.791 5.767 1.00 0.00 C ATOM 393 O LEU A 29 -6.653 4.986 5.851 1.00 0.00 O ATOM 394 CB LEU A 29 -8.024 2.878 3.707 1.00 0.00 C ATOM 395 CG LEU A 29 -7.675 1.399 3.531 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.938 0.570 3.359 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.744 1.209 2.342 1.00 0.00 C ATOM 0 H LEU A 29 -9.023 5.206 4.550 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.653 2.515 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.922 3.091 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.218 3.474 3.279 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.160 1.057 4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.670 -0.479 3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.569 0.682 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.481 0.912 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.506 0.151 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.233 1.567 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.825 1.772 2.506 1.00 0.00 H new ATOM 409 N ASP A 30 -6.138 2.824 6.199 1.00 0.00 N ATOM 410 CA ASP A 30 -4.847 3.117 6.811 1.00 0.00 C ATOM 411 C ASP A 30 -3.788 2.119 6.351 1.00 0.00 C ATOM 412 O ASP A 30 -3.876 0.926 6.643 1.00 0.00 O ATOM 413 CB ASP A 30 -4.963 3.088 8.336 1.00 0.00 C ATOM 414 CG ASP A 30 -6.063 3.996 8.850 1.00 0.00 C ATOM 415 OD1 ASP A 30 -7.249 3.670 8.635 1.00 0.00 O ATOM 416 OD2 ASP A 30 -5.738 5.033 9.466 1.00 0.00 O ATOM 0 H ASP A 30 -6.360 1.830 6.137 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.542 4.115 6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.156 2.066 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.012 3.389 8.776 1.00 0.00 H new ATOM 421 N LEU A 31 -2.790 2.615 5.628 1.00 0.00 N ATOM 422 CA LEU A 31 -1.714 1.767 5.126 1.00 0.00 C ATOM 423 C LEU A 31 -0.392 2.104 5.807 1.00 0.00 C ATOM 424 O LEU A 31 -0.088 3.272 6.050 1.00 0.00 O ATOM 425 CB LEU A 31 -1.577 1.928 3.611 1.00 0.00 C ATOM 426 CG LEU A 31 -0.191 1.649 3.029 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.230 0.216 3.316 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.175 1.923 1.533 1.00 0.00 C ATOM 0 H LEU A 31 -2.703 3.600 5.376 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.964 0.731 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.292 1.262 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.862 2.946 3.347 1.00 0.00 H new ATOM 0 HG LEU A 31 0.524 2.318 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.219 0.036 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.260 0.055 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.487 -0.471 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.820 1.719 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.902 1.280 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.431 2.967 1.352 1.00 0.00 H new ATOM 440 N ALA A 32 0.392 1.074 6.109 1.00 0.00 N ATOM 441 CA ALA A 32 1.684 1.262 6.758 1.00 0.00 C ATOM 442 C ALA A 32 2.750 0.376 6.123 1.00 0.00 C ATOM 443 O ALA A 32 2.633 -0.849 6.122 1.00 0.00 O ATOM 444 CB ALA A 32 1.573 0.974 8.248 1.00 0.00 C ATOM 0 H ALA A 32 0.155 0.101 5.915 1.00 0.00 H new ATOM 0 HA ALA A 32 1.984 2.301 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.545 1.118 8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.847 1.653 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.247 -0.055 8.396 1.00 0.00 H new ATOM 450 N VAL A 33 3.790 1.004 5.583 1.00 0.00 N ATOM 451 CA VAL A 33 4.878 0.272 4.945 1.00 0.00 C ATOM 452 C VAL A 33 6.171 0.405 5.742 1.00 0.00 C ATOM 453 O VAL A 33 6.880 1.408 5.658 1.00 0.00 O ATOM 454 CB VAL A 33 5.121 0.768 3.507 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.289 0.027 2.877 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.861 0.607 2.669 1.00 0.00 C ATOM 0 H VAL A 33 3.902 2.018 5.575 1.00 0.00 H new ATOM 0 HA VAL A 33 4.579 -0.776 4.914 1.00 0.00 H new ATOM 0 HB VAL A 33 5.373 1.828 3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.446 0.391 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.189 0.199 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.071 -1.041 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.050 0.962 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.577 -0.445 2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.052 1.188 3.112 1.00 0.00 H new ATOM 466 N PRO A 34 6.487 -0.630 6.534 1.00 0.00 N ATOM 467 CA PRO A 34 7.697 -0.654 7.361 1.00 0.00 C ATOM 468 C PRO A 34 8.967 -0.778 6.526 1.00 0.00 C ATOM 469 O PRO A 34 9.132 -1.732 5.765 1.00 0.00 O ATOM 470 CB PRO A 34 7.507 -1.897 8.233 1.00 0.00 C ATOM 471 CG PRO A 34 6.601 -2.778 7.444 1.00 0.00 C ATOM 472 CD PRO A 34 5.688 -1.858 6.682 1.00 0.00 C ATOM 0 HA PRO A 34 7.820 0.267 7.930 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.459 -2.388 8.436 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.069 -1.641 9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.169 -3.414 6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.032 -3.438 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.412 -2.277 5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.761 -1.671 7.225 1.00 0.00 H new ATOM 480 N PHE A 35 9.864 0.192 6.673 1.00 0.00 N ATOM 481 CA PHE A 35 11.120 0.191 5.932 1.00 0.00 C ATOM 482 C PHE A 35 12.303 -0.046 6.867 1.00 0.00 C ATOM 483 O PHE A 35 12.514 0.704 7.820 1.00 0.00 O ATOM 484 CB PHE A 35 11.299 1.517 5.190 1.00 0.00 C ATOM 485 CG PHE A 35 10.434 1.641 3.968 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.503 0.699 2.955 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.551 2.701 3.833 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.709 0.812 1.829 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.754 2.819 2.710 1.00 0.00 C ATOM 490 CZ PHE A 35 8.833 1.872 1.708 1.00 0.00 C ATOM 0 H PHE A 35 9.744 0.989 7.299 1.00 0.00 H new ATOM 0 HA PHE A 35 11.085 -0.622 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.073 2.338 5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.344 1.623 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.185 -0.133 3.046 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.485 3.443 4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.774 0.072 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.071 3.650 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.210 1.961 0.830 1.00 0.00 H new ATOM 500 N ARG A 36 13.070 -1.094 6.586 1.00 0.00 N ATOM 501 CA ARG A 36 14.230 -1.431 7.402 1.00 0.00 C ATOM 502 C ARG A 36 15.314 -0.364 7.274 1.00 0.00 C ATOM 503 O ARG A 36 16.349 -0.587 6.646 1.00 0.00 O ATOM 504 CB ARG A 36 14.791 -2.794 6.991 1.00 0.00 C ATOM 505 CG ARG A 36 15.137 -2.889 5.514 1.00 0.00 C ATOM 506 CD ARG A 36 15.368 -4.331 5.088 1.00 0.00 C ATOM 507 NE ARG A 36 16.605 -4.874 5.642 1.00 0.00 N ATOM 508 CZ ARG A 36 17.190 -5.978 5.191 1.00 0.00 C ATOM 509 NH1 ARG A 36 16.653 -6.652 4.183 1.00 0.00 N ATOM 510 NH2 ARG A 36 18.315 -6.409 5.748 1.00 0.00 N ATOM 0 H ARG A 36 12.909 -1.724 5.800 1.00 0.00 H new ATOM 0 HA ARG A 36 13.909 -1.476 8.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.685 -3.002 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.062 -3.566 7.235 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.330 -2.458 4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.031 -2.300 5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.526 -4.944 5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.403 -4.386 4.000 1.00 0.00 H new ATOM 0 HE ARG A 36 17.044 -4.378 6.418 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.789 -6.323 3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.104 -7.499 3.838 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.731 -5.892 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.764 -7.257 5.401 1.00 0.00 H new ATOM 524 N VAL A 37 15.068 0.797 7.873 1.00 0.00 N ATOM 525 CA VAL A 37 16.022 1.898 7.827 1.00 0.00 C ATOM 526 C VAL A 37 16.554 2.223 9.218 1.00 0.00 C ATOM 527 O VAL A 37 15.852 2.061 10.216 1.00 0.00 O ATOM 528 CB VAL A 37 15.387 3.165 7.224 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.877 2.889 5.818 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.266 3.676 8.116 1.00 0.00 C ATOM 0 H VAL A 37 14.216 0.999 8.396 1.00 0.00 H new ATOM 0 HA VAL A 37 16.847 1.576 7.192 1.00 0.00 H new ATOM 0 HB VAL A 37 16.152 3.939 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.432 3.795 5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.707 2.574 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.126 2.099 5.852 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.829 4.572 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.499 2.908 8.213 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.666 3.916 9.101 1.00 0.00 H new ATOM 540 N SER A 38 17.800 2.683 9.277 1.00 0.00 N ATOM 541 CA SER A 38 18.428 3.028 10.547 1.00 0.00 C ATOM 542 C SER A 38 18.599 4.538 10.676 1.00 0.00 C ATOM 543 O SER A 38 19.488 5.017 11.380 1.00 0.00 O ATOM 544 CB SER A 38 19.788 2.338 10.671 1.00 0.00 C ATOM 545 OG SER A 38 19.638 0.977 11.039 1.00 0.00 O ATOM 0 H SER A 38 18.394 2.825 8.460 1.00 0.00 H new ATOM 0 HA SER A 38 17.778 2.683 11.351 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.321 2.405 9.723 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.395 2.854 11.415 1.00 0.00 H new ATOM 0 HG SER A 38 20.521 0.558 11.110 1.00 0.00 H new ATOM 551 N PHE A 39 17.739 5.285 9.991 1.00 0.00 N ATOM 552 CA PHE A 39 17.793 6.742 10.027 1.00 0.00 C ATOM 553 C PHE A 39 16.414 7.344 9.774 1.00 0.00 C ATOM 554 O PHE A 39 15.430 6.623 9.612 1.00 0.00 O ATOM 555 CB PHE A 39 18.788 7.262 8.987 1.00 0.00 C ATOM 556 CG PHE A 39 18.510 6.774 7.594 1.00 0.00 C ATOM 557 CD1 PHE A 39 19.029 5.568 7.152 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.728 7.521 6.727 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.775 5.117 5.871 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.471 7.074 5.445 1.00 0.00 C ATOM 561 CZ PHE A 39 17.994 5.870 5.017 1.00 0.00 C ATOM 0 H PHE A 39 16.996 4.905 9.404 1.00 0.00 H new ATOM 0 HA PHE A 39 18.125 7.044 11.020 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.770 8.352 8.992 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.794 6.959 9.275 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.639 4.974 7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.315 8.463 7.057 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.187 4.176 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.861 7.666 4.778 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.793 5.518 4.016 1.00 0.00 H new ATOM 571 N ARG A 40 16.352 8.671 9.743 1.00 0.00 N ATOM 572 CA ARG A 40 15.094 9.372 9.512 1.00 0.00 C ATOM 573 C ARG A 40 14.838 9.551 8.018 1.00 0.00 C ATOM 574 O ARG A 40 15.694 10.049 7.286 1.00 0.00 O ATOM 575 CB ARG A 40 15.110 10.735 10.205 1.00 0.00 C ATOM 576 CG ARG A 40 13.728 11.336 10.400 1.00 0.00 C ATOM 577 CD ARG A 40 13.795 12.661 11.142 1.00 0.00 C ATOM 578 NE ARG A 40 12.681 13.539 10.797 1.00 0.00 N ATOM 579 CZ ARG A 40 11.480 13.458 11.359 1.00 0.00 C ATOM 580 NH1 ARG A 40 11.239 12.543 12.288 1.00 0.00 N ATOM 581 NH2 ARG A 40 10.517 14.293 10.992 1.00 0.00 N ATOM 0 H ARG A 40 17.158 9.282 9.875 1.00 0.00 H new ATOM 0 HA ARG A 40 14.289 8.769 9.931 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.593 10.633 11.177 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.717 11.424 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.255 11.485 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.102 10.638 10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.791 12.475 12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.735 13.160 10.908 1.00 0.00 H new ATOM 0 HE ARG A 40 12.833 14.254 10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.977 11.899 12.573 1.00 0.00 H new ATOM 0 HH12 ARG A 40 10.316 12.483 12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.698 14.998 10.278 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.595 14.230 11.424 1.00 0.00 H new ATOM 595 N LEU A 41 13.655 9.142 7.573 1.00 0.00 N ATOM 596 CA LEU A 41 13.286 9.257 6.166 1.00 0.00 C ATOM 597 C LEU A 41 12.735 10.646 5.859 1.00 0.00 C ATOM 598 O LEU A 41 11.979 11.214 6.647 1.00 0.00 O ATOM 599 CB LEU A 41 12.249 8.193 5.802 1.00 0.00 C ATOM 600 CG LEU A 41 12.772 6.761 5.675 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.633 5.803 5.362 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.850 6.680 4.604 1.00 0.00 C ATOM 0 H LEU A 41 12.935 8.728 8.165 1.00 0.00 H new ATOM 0 HA LEU A 41 14.183 9.102 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.464 8.206 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.786 8.474 4.856 1.00 0.00 H new ATOM 0 HG LEU A 41 13.213 6.469 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.024 4.789 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.896 5.840 6.164 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.162 6.092 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.210 5.654 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.435 6.991 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.678 7.337 4.871 1.00 0.00 H new ATOM 614 N LYS A 42 13.119 11.187 4.708 1.00 0.00 N ATOM 615 CA LYS A 42 12.661 12.508 4.294 1.00 0.00 C ATOM 616 C LYS A 42 11.601 12.400 3.203 1.00 0.00 C ATOM 617 O LYS A 42 11.638 11.489 2.376 1.00 0.00 O ATOM 618 CB LYS A 42 13.841 13.345 3.792 1.00 0.00 C ATOM 619 CG LYS A 42 14.991 13.429 4.780 1.00 0.00 C ATOM 620 CD LYS A 42 14.828 14.605 5.728 1.00 0.00 C ATOM 621 CE LYS A 42 15.551 14.366 7.044 1.00 0.00 C ATOM 622 NZ LYS A 42 14.964 15.167 8.153 1.00 0.00 N ATOM 0 H LYS A 42 13.746 10.731 4.045 1.00 0.00 H new ATOM 0 HA LYS A 42 12.217 12.999 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.206 12.919 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.491 14.353 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.047 12.504 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.931 13.526 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.216 15.509 5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.768 14.775 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.504 13.307 7.297 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.605 14.620 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.485 14.976 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.031 16.179 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.965 14.906 8.278 1.00 0.00 H new ATOM 636 N GLY A 43 10.657 13.336 3.206 1.00 0.00 N ATOM 637 CA GLY A 43 9.601 13.328 2.211 1.00 0.00 C ATOM 638 C GLY A 43 10.123 13.064 0.813 1.00 0.00 C ATOM 639 O GLY A 43 9.471 12.391 0.014 1.00 0.00 O ATOM 0 H GLY A 43 10.605 14.100 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.867 12.566 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.084 14.287 2.227 1.00 0.00 H new ATOM 643 N LYS A 44 11.303 13.596 0.513 1.00 0.00 N ATOM 644 CA LYS A 44 11.915 13.416 -0.798 1.00 0.00 C ATOM 645 C LYS A 44 12.513 12.019 -0.932 1.00 0.00 C ATOM 646 O LYS A 44 12.470 11.415 -2.004 1.00 0.00 O ATOM 647 CB LYS A 44 12.999 14.471 -1.028 1.00 0.00 C ATOM 648 CG LYS A 44 14.147 14.389 -0.036 1.00 0.00 C ATOM 649 CD LYS A 44 14.793 15.747 0.182 1.00 0.00 C ATOM 650 CE LYS A 44 16.212 15.610 0.711 1.00 0.00 C ATOM 651 NZ LYS A 44 17.148 15.113 -0.335 1.00 0.00 N ATOM 0 H LYS A 44 11.856 14.157 1.162 1.00 0.00 H new ATOM 0 HA LYS A 44 11.138 13.533 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.394 14.360 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.549 15.462 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.781 14.002 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.894 13.684 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.805 16.300 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.196 16.327 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.558 16.576 1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.219 14.926 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.127 15.317 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.027 14.086 -0.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.944 15.588 -1.237 1.00 0.00 H new ATOM 665 N ASP A 45 13.068 11.511 0.162 1.00 0.00 N ATOM 666 CA ASP A 45 13.672 10.183 0.168 1.00 0.00 C ATOM 667 C ASP A 45 12.670 9.128 -0.290 1.00 0.00 C ATOM 668 O ASP A 45 13.020 8.198 -1.016 1.00 0.00 O ATOM 669 CB ASP A 45 14.190 9.841 1.565 1.00 0.00 C ATOM 670 CG ASP A 45 15.593 10.363 1.807 1.00 0.00 C ATOM 671 OD1 ASP A 45 16.552 9.746 1.298 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.731 11.389 2.504 1.00 0.00 O ATOM 0 H ASP A 45 13.113 11.998 1.057 1.00 0.00 H new ATOM 0 HA ASP A 45 14.510 10.189 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.516 10.260 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.180 8.759 1.698 1.00 0.00 H new ATOM 677 N VAL A 46 11.421 9.278 0.142 1.00 0.00 N ATOM 678 CA VAL A 46 10.368 8.339 -0.223 1.00 0.00 C ATOM 679 C VAL A 46 9.580 8.837 -1.429 1.00 0.00 C ATOM 680 O VAL A 46 9.658 10.011 -1.792 1.00 0.00 O ATOM 681 CB VAL A 46 9.397 8.102 0.949 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.111 7.417 2.105 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.775 9.415 1.399 1.00 0.00 C ATOM 0 H VAL A 46 11.115 10.041 0.745 1.00 0.00 H new ATOM 0 HA VAL A 46 10.857 7.398 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 46 8.597 7.445 0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.409 7.258 2.923 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.504 6.456 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.933 8.045 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.092 9.229 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.561 10.098 1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.226 9.861 0.569 1.00 0.00 H new ATOM 693 N VAL A 47 8.821 7.938 -2.046 1.00 0.00 N ATOM 694 CA VAL A 47 8.016 8.286 -3.211 1.00 0.00 C ATOM 695 C VAL A 47 6.622 7.677 -3.118 1.00 0.00 C ATOM 696 O VAL A 47 6.451 6.466 -3.253 1.00 0.00 O ATOM 697 CB VAL A 47 8.684 7.815 -4.516 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.798 8.126 -5.712 1.00 0.00 C ATOM 699 CG2 VAL A 47 10.054 8.457 -4.675 1.00 0.00 C ATOM 0 H VAL A 47 8.746 6.962 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 47 7.934 9.373 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 47 8.818 6.734 -4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.287 7.786 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.842 7.614 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.629 9.201 -5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.512 8.113 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.947 9.541 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.687 8.177 -3.833 1.00 0.00 H new ATOM 709 N VAL A 48 5.625 8.526 -2.886 1.00 0.00 N ATOM 710 CA VAL A 48 4.244 8.072 -2.777 1.00 0.00 C ATOM 711 C VAL A 48 3.330 8.864 -3.706 1.00 0.00 C ATOM 712 O VAL A 48 3.227 10.086 -3.599 1.00 0.00 O ATOM 713 CB VAL A 48 3.724 8.200 -1.333 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.257 7.805 -1.256 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.563 7.351 -0.388 1.00 0.00 C ATOM 0 H VAL A 48 5.749 9.532 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 48 4.232 7.022 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 48 3.812 9.242 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.908 7.902 -0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.670 8.458 -1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.141 6.772 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.182 7.453 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.509 6.306 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.600 7.685 -0.422 1.00 0.00 H new ATOM 725 N ASP A 49 2.668 8.159 -4.616 1.00 0.00 N ATOM 726 CA ASP A 49 1.760 8.795 -5.564 1.00 0.00 C ATOM 727 C ASP A 49 0.312 8.421 -5.265 1.00 0.00 C ATOM 728 O ASP A 49 -0.127 7.311 -5.567 1.00 0.00 O ATOM 729 CB ASP A 49 2.119 8.393 -6.995 1.00 0.00 C ATOM 730 CG ASP A 49 1.247 9.082 -8.026 1.00 0.00 C ATOM 731 OD1 ASP A 49 1.398 10.308 -8.207 1.00 0.00 O ATOM 732 OD2 ASP A 49 0.413 8.395 -8.653 1.00 0.00 O ATOM 0 H ASP A 49 2.743 7.147 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 49 1.865 9.875 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.164 8.636 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.019 7.313 -7.102 1.00 0.00 H new ATOM 737 N ILE A 50 -0.424 9.353 -4.669 1.00 0.00 N ATOM 738 CA ILE A 50 -1.822 9.120 -4.330 1.00 0.00 C ATOM 739 C ILE A 50 -2.747 9.637 -5.426 1.00 0.00 C ATOM 740 O ILE A 50 -2.644 10.789 -5.846 1.00 0.00 O ATOM 741 CB ILE A 50 -2.197 9.794 -2.997 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.293 9.287 -1.871 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.660 9.536 -2.666 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.411 10.088 -0.594 1.00 0.00 C ATOM 0 H ILE A 50 -0.075 10.276 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.948 8.042 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.051 10.870 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.537 8.246 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.257 9.309 -2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.910 10.019 -1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.289 9.942 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.830 8.463 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.742 9.672 0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.138 11.125 -0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.438 10.045 -0.231 1.00 0.00 H new ATOM 756 N GLN A 51 -3.653 8.778 -5.882 1.00 0.00 N ATOM 757 CA GLN A 51 -4.598 9.148 -6.929 1.00 0.00 C ATOM 758 C GLN A 51 -6.022 8.771 -6.535 1.00 0.00 C ATOM 759 O GLN A 51 -6.254 8.222 -5.458 1.00 0.00 O ATOM 760 CB GLN A 51 -4.224 8.468 -8.247 1.00 0.00 C ATOM 761 CG GLN A 51 -3.087 9.156 -8.986 1.00 0.00 C ATOM 762 CD GLN A 51 -2.932 8.661 -10.410 1.00 0.00 C ATOM 763 OE1 GLN A 51 -3.233 7.507 -10.715 1.00 0.00 O ATOM 764 NE2 GLN A 51 -2.462 9.535 -11.293 1.00 0.00 N ATOM 0 H GLN A 51 -3.753 7.821 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.551 10.229 -7.060 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.942 7.434 -8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.101 8.439 -8.893 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.264 10.231 -8.997 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.155 8.992 -8.445 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.225 10.482 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.338 9.259 -12.267 1.00 0.00 H new ATOM 773 N ARG A 52 -6.973 9.071 -7.414 1.00 0.00 N ATOM 774 CA ARG A 52 -8.375 8.765 -7.157 1.00 0.00 C ATOM 775 C ARG A 52 -8.588 7.259 -7.030 1.00 0.00 C ATOM 776 O ARG A 52 -9.161 6.784 -6.050 1.00 0.00 O ATOM 777 CB ARG A 52 -9.254 9.323 -8.277 1.00 0.00 C ATOM 778 CG ARG A 52 -10.722 9.436 -7.900 1.00 0.00 C ATOM 779 CD ARG A 52 -10.952 10.544 -6.884 1.00 0.00 C ATOM 780 NE ARG A 52 -10.617 11.859 -7.422 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.128 12.995 -6.961 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.995 12.975 -5.957 1.00 0.00 N ATOM 783 NH2 ARG A 52 -10.773 14.152 -7.503 1.00 0.00 N ATOM 0 H ARG A 52 -6.798 9.526 -8.310 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.657 9.235 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.884 10.308 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.161 8.682 -9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.314 9.632 -8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.068 8.487 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.996 10.536 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.350 10.352 -5.996 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.953 11.908 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.270 12.087 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.387 13.848 -5.604 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.107 14.170 -8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.166 15.024 -7.148 1.00 0.00 H new ATOM 797 N ARG A 53 -8.124 6.515 -8.028 1.00 0.00 N ATOM 798 CA ARG A 53 -8.265 5.064 -8.029 1.00 0.00 C ATOM 799 C ARG A 53 -6.913 4.386 -8.224 1.00 0.00 C ATOM 800 O ARG A 53 -6.819 3.333 -8.857 1.00 0.00 O ATOM 801 CB ARG A 53 -9.231 4.625 -9.132 1.00 0.00 C ATOM 802 CG ARG A 53 -9.996 3.354 -8.801 1.00 0.00 C ATOM 803 CD ARG A 53 -11.363 3.337 -9.467 1.00 0.00 C ATOM 804 NE ARG A 53 -11.303 2.805 -10.826 1.00 0.00 N ATOM 805 CZ ARG A 53 -11.103 3.558 -11.902 1.00 0.00 C ATOM 806 NH1 ARG A 53 -10.944 4.869 -11.777 1.00 0.00 N ATOM 807 NH2 ARG A 53 -11.061 3.001 -13.105 1.00 0.00 N ATOM 0 H ARG A 53 -7.647 6.893 -8.847 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.667 4.763 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.943 5.429 -9.321 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.671 4.472 -10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.421 2.487 -9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.115 3.271 -7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.049 2.734 -8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.767 4.349 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.421 1.800 -10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.975 5.301 -10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.791 5.445 -12.604 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.182 1.993 -13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.907 3.580 -13.930 1.00 0.00 H new ATOM 821 N HIS A 54 -5.866 4.996 -7.677 1.00 0.00 N ATOM 822 CA HIS A 54 -4.518 4.451 -7.790 1.00 0.00 C ATOM 823 C HIS A 54 -3.619 4.990 -6.682 1.00 0.00 C ATOM 824 O HIS A 54 -3.726 6.154 -6.292 1.00 0.00 O ATOM 825 CB HIS A 54 -3.921 4.790 -9.157 1.00 0.00 C ATOM 826 CG HIS A 54 -2.721 3.966 -9.508 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.466 4.505 -9.692 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.590 2.633 -9.707 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.614 3.540 -9.991 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.272 2.394 -10.006 1.00 0.00 N ATOM 0 H HIS A 54 -5.925 5.868 -7.151 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.581 3.368 -7.688 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.684 4.650 -9.922 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.645 5.844 -9.172 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.376 1.895 -9.642 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.440 3.666 -10.189 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.866 1.480 -10.207 1.00 0.00 H new ATOM 839 N LEU A 55 -2.735 4.137 -6.177 1.00 0.00 N ATOM 840 CA LEU A 55 -1.817 4.527 -5.112 1.00 0.00 C ATOM 841 C LEU A 55 -0.438 3.913 -5.329 1.00 0.00 C ATOM 842 O LEU A 55 -0.315 2.816 -5.875 1.00 0.00 O ATOM 843 CB LEU A 55 -2.371 4.097 -3.752 1.00 0.00 C ATOM 844 CG LEU A 55 -1.392 4.159 -2.579 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.899 5.582 -2.368 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.044 3.625 -1.312 1.00 0.00 C ATOM 0 H LEU A 55 -2.634 3.171 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.718 5.612 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.230 4.726 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.739 3.075 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.533 3.531 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.204 5.605 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.393 5.929 -3.269 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.747 6.233 -2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.333 3.677 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.921 4.226 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.346 2.589 -1.467 1.00 0.00 H new ATOM 858 N ARG A 56 0.597 4.627 -4.897 1.00 0.00 N ATOM 859 CA ARG A 56 1.967 4.151 -5.043 1.00 0.00 C ATOM 860 C ARG A 56 2.790 4.473 -3.799 1.00 0.00 C ATOM 861 O ARG A 56 2.616 5.523 -3.181 1.00 0.00 O ATOM 862 CB ARG A 56 2.619 4.781 -6.275 1.00 0.00 C ATOM 863 CG ARG A 56 3.903 4.091 -6.705 1.00 0.00 C ATOM 864 CD ARG A 56 4.684 4.936 -7.699 1.00 0.00 C ATOM 865 NE ARG A 56 4.303 4.649 -9.080 1.00 0.00 N ATOM 866 CZ ARG A 56 4.539 5.473 -10.094 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.151 6.631 -9.884 1.00 0.00 N ATOM 868 NH2 ARG A 56 4.162 5.141 -11.322 1.00 0.00 N ATOM 0 H ARG A 56 0.512 5.537 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 56 1.938 3.069 -5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.910 4.758 -7.102 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.832 5.829 -6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.521 3.893 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.666 3.126 -7.153 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.515 5.992 -7.488 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.751 4.752 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 56 3.830 3.767 -9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.442 6.891 -8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.331 7.262 -10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.690 4.252 -11.488 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.344 5.775 -12.100 1.00 0.00 H new ATOM 882 N VAL A 57 3.686 3.560 -3.436 1.00 0.00 N ATOM 883 CA VAL A 57 4.536 3.746 -2.266 1.00 0.00 C ATOM 884 C VAL A 57 5.893 3.080 -2.462 1.00 0.00 C ATOM 885 O VAL A 57 5.984 1.980 -3.006 1.00 0.00 O ATOM 886 CB VAL A 57 3.876 3.177 -0.996 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.785 3.363 0.208 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.523 3.832 -0.760 1.00 0.00 C ATOM 0 H VAL A 57 3.842 2.684 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 57 4.675 4.820 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 57 3.717 2.108 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.301 2.955 1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.727 2.843 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.979 4.425 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.071 3.418 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.655 4.907 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.872 3.641 -1.613 1.00 0.00 H new ATOM 898 N GLY A 58 6.948 3.755 -2.014 1.00 0.00 N ATOM 899 CA GLY A 58 8.287 3.213 -2.149 1.00 0.00 C ATOM 900 C GLY A 58 9.360 4.221 -1.784 1.00 0.00 C ATOM 901 O GLY A 58 9.066 5.271 -1.211 1.00 0.00 O ATOM 0 H GLY A 58 6.899 4.667 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.386 2.334 -1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.439 2.880 -3.176 1.00 0.00 H new ATOM 905 N LEU A 59 10.606 3.901 -2.113 1.00 0.00 N ATOM 906 CA LEU A 59 11.727 4.786 -1.815 1.00 0.00 C ATOM 907 C LEU A 59 12.402 5.260 -3.098 1.00 0.00 C ATOM 908 O LEU A 59 12.607 4.481 -4.030 1.00 0.00 O ATOM 909 CB LEU A 59 12.744 4.070 -0.925 1.00 0.00 C ATOM 910 CG LEU A 59 12.243 3.637 0.454 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.103 2.511 1.005 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.230 4.819 1.412 1.00 0.00 C ATOM 0 H LEU A 59 10.866 3.036 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 59 11.340 5.657 -1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.101 3.186 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.603 4.727 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 59 11.222 3.269 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.731 2.216 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.061 1.657 0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.135 2.852 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.871 4.492 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.240 5.218 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.570 5.595 1.024 1.00 0.00 H new ATOM 924 N LYS A 60 12.748 6.542 -3.139 1.00 0.00 N ATOM 925 CA LYS A 60 13.404 7.121 -4.305 1.00 0.00 C ATOM 926 C LYS A 60 14.318 6.102 -4.978 1.00 0.00 C ATOM 927 O LYS A 60 15.112 5.435 -4.316 1.00 0.00 O ATOM 928 CB LYS A 60 14.210 8.358 -3.901 1.00 0.00 C ATOM 929 CG LYS A 60 14.241 9.439 -4.967 1.00 0.00 C ATOM 930 CD LYS A 60 15.206 9.091 -6.088 1.00 0.00 C ATOM 931 CE LYS A 60 15.048 10.031 -7.273 1.00 0.00 C ATOM 932 NZ LYS A 60 15.884 11.255 -7.126 1.00 0.00 N ATOM 0 H LYS A 60 12.585 7.200 -2.377 1.00 0.00 H new ATOM 0 HA LYS A 60 12.632 7.415 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.787 8.774 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 60 15.232 8.056 -3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.240 9.576 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.533 10.387 -4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 60 16.230 9.141 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.034 8.064 -6.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 15.325 9.510 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.001 10.316 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.748 11.870 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.603 11.766 -6.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.886 10.985 -7.056 1.00 0.00 H new ATOM 946 N GLY A 61 14.202 5.989 -6.297 1.00 0.00 N ATOM 947 CA GLY A 61 15.025 5.050 -7.037 1.00 0.00 C ATOM 948 C GLY A 61 14.554 3.617 -6.880 1.00 0.00 C ATOM 949 O GLY A 61 14.273 2.939 -7.868 1.00 0.00 O ATOM 0 H GLY A 61 13.553 6.531 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.017 5.318 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.057 5.129 -6.696 1.00 0.00 H new ATOM 953 N GLN A 62 14.470 3.156 -5.637 1.00 0.00 N ATOM 954 CA GLN A 62 14.032 1.794 -5.356 1.00 0.00 C ATOM 955 C GLN A 62 12.649 1.535 -5.943 1.00 0.00 C ATOM 956 O GLN A 62 11.906 2.458 -6.275 1.00 0.00 O ATOM 957 CB GLN A 62 14.014 1.543 -3.847 1.00 0.00 C ATOM 958 CG GLN A 62 15.319 0.980 -3.308 1.00 0.00 C ATOM 959 CD GLN A 62 15.464 1.174 -1.811 1.00 0.00 C ATOM 960 OE1 GLN A 62 14.918 0.405 -1.018 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.203 2.204 -1.416 1.00 0.00 N ATOM 0 H GLN A 62 14.699 3.705 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 62 14.739 1.108 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.792 2.479 -3.334 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.205 0.851 -3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.375 -0.084 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.155 1.461 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.637 2.815 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.337 2.384 -0.421 1.00 0.00 H new ATOM 970 N PRO A 63 12.294 0.248 -6.076 1.00 0.00 N ATOM 971 CA PRO A 63 10.998 -0.163 -6.624 1.00 0.00 C ATOM 972 C PRO A 63 9.842 0.161 -5.683 1.00 0.00 C ATOM 973 O PRO A 63 9.978 0.128 -4.460 1.00 0.00 O ATOM 974 CB PRO A 63 11.146 -1.677 -6.788 1.00 0.00 C ATOM 975 CG PRO A 63 12.180 -2.067 -5.789 1.00 0.00 C ATOM 976 CD PRO A 63 13.130 -0.905 -5.701 1.00 0.00 C ATOM 0 HA PRO A 63 10.764 0.359 -7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.202 -2.190 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.455 -1.937 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.727 -2.275 -4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.700 -2.973 -6.099 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.539 -0.795 -4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.976 -1.025 -6.378 1.00 0.00 H new ATOM 984 N PRO A 64 8.676 0.481 -6.265 1.00 0.00 N ATOM 985 CA PRO A 64 7.474 0.816 -5.496 1.00 0.00 C ATOM 986 C PRO A 64 6.893 -0.394 -4.773 1.00 0.00 C ATOM 987 O PRO A 64 6.187 -1.207 -5.369 1.00 0.00 O ATOM 988 CB PRO A 64 6.499 1.319 -6.564 1.00 0.00 C ATOM 989 CG PRO A 64 6.948 0.664 -7.825 1.00 0.00 C ATOM 990 CD PRO A 64 8.443 0.540 -7.718 1.00 0.00 C ATOM 0 HA PRO A 64 7.682 1.544 -4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.472 1.048 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.531 2.405 -6.649 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.483 -0.315 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.667 1.258 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.809 -0.355 -8.221 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.951 1.391 -8.172 1.00 0.00 H new ATOM 998 N VAL A 65 7.194 -0.508 -3.483 1.00 0.00 N ATOM 999 CA VAL A 65 6.701 -1.618 -2.677 1.00 0.00 C ATOM 1000 C VAL A 65 5.203 -1.818 -2.877 1.00 0.00 C ATOM 1001 O VAL A 65 4.693 -2.932 -2.756 1.00 0.00 O ATOM 1002 CB VAL A 65 6.982 -1.393 -1.179 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.155 -0.232 -0.649 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.703 -2.662 -0.389 1.00 0.00 C ATOM 0 H VAL A 65 7.778 0.156 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 65 7.232 -2.510 -3.008 1.00 0.00 H new ATOM 0 HB VAL A 65 8.036 -1.141 -1.058 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.367 -0.088 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.409 0.676 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.095 -0.450 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.907 -2.485 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.658 -2.946 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.344 -3.465 -0.753 1.00 0.00 H new ATOM 1014 N VAL A 66 4.501 -0.732 -3.185 1.00 0.00 N ATOM 1015 CA VAL A 66 3.061 -0.788 -3.404 1.00 0.00 C ATOM 1016 C VAL A 66 2.674 -0.085 -4.700 1.00 0.00 C ATOM 1017 O VAL A 66 2.853 1.125 -4.839 1.00 0.00 O ATOM 1018 CB VAL A 66 2.290 -0.146 -2.235 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.791 -0.310 -2.430 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.733 -0.749 -0.910 1.00 0.00 C ATOM 0 H VAL A 66 4.907 0.198 -3.289 1.00 0.00 H new ATOM 0 HA VAL A 66 2.792 -1.842 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 66 2.515 0.920 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.263 0.150 -1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.490 0.173 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.544 -1.371 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.178 -0.284 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.539 -1.822 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.800 -0.574 -0.769 1.00 0.00 H new ATOM 1030 N ASP A 67 2.142 -0.851 -5.646 1.00 0.00 N ATOM 1031 CA ASP A 67 1.728 -0.302 -6.932 1.00 0.00 C ATOM 1032 C ASP A 67 0.611 -1.140 -7.546 1.00 0.00 C ATOM 1033 O ASP A 67 0.845 -2.246 -8.031 1.00 0.00 O ATOM 1034 CB ASP A 67 2.918 -0.237 -7.890 1.00 0.00 C ATOM 1035 CG ASP A 67 3.290 -1.597 -8.446 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.498 -2.530 -7.642 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.372 -1.729 -9.685 1.00 0.00 O ATOM 0 H ASP A 67 1.987 -1.854 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 67 1.351 0.707 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.681 0.436 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.777 0.186 -7.369 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.606 -0.605 -7.520 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.742 -1.317 -8.075 1.00 0.00 C ATOM 1044 C GLY A 68 -3.038 -0.543 -7.933 1.00 0.00 C ATOM 1045 O GLY A 68 -3.222 0.198 -6.968 1.00 0.00 O ATOM 0 H GLY A 68 -0.825 0.309 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.558 -1.522 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.842 -2.281 -7.576 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.936 -0.714 -8.898 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.220 -0.023 -8.876 1.00 0.00 C ATOM 1051 C GLU A 69 -5.958 -0.288 -7.567 1.00 0.00 C ATOM 1052 O GLU A 69 -6.072 -1.432 -7.125 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.083 -0.467 -10.059 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.518 0.027 -9.984 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.353 -0.426 -11.167 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.766 -0.720 -12.229 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.593 -0.485 -11.030 1.00 0.00 O ATOM 0 H GLU A 69 -3.798 -1.324 -9.704 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.029 1.047 -8.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.631 -0.106 -10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.084 -1.556 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.975 -0.333 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.522 1.116 -9.937 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.457 0.778 -6.950 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.185 0.662 -5.691 1.00 0.00 C ATOM 1066 C LEU A 70 -8.531 -0.024 -5.900 1.00 0.00 C ATOM 1067 O LEU A 70 -9.152 0.113 -6.955 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.395 2.045 -5.072 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.153 2.711 -4.479 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.361 4.212 -4.351 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.815 2.101 -3.126 1.00 0.00 C ATOM 0 H LEU A 70 -6.371 1.732 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.590 0.052 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.806 2.704 -5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.146 1.959 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.315 2.537 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.467 4.668 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.554 4.638 -5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.212 4.407 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.928 2.587 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.653 2.243 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.622 1.035 -3.246 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.977 -0.760 -4.889 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.250 -1.468 -4.962 1.00 0.00 C ATOM 1085 C TYR A 71 -11.390 -0.506 -5.281 1.00 0.00 C ATOM 1086 O TYR A 71 -12.289 -0.828 -6.057 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.531 -2.191 -3.643 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.939 -2.734 -3.540 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.248 -4.009 -3.996 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.959 -1.971 -2.984 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.533 -4.508 -3.904 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.246 -2.463 -2.886 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.528 -3.732 -3.348 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.809 -4.226 -3.253 1.00 0.00 O ATOM 0 H TYR A 71 -8.476 -0.882 -4.009 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.184 -2.203 -5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.824 -3.013 -3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.354 -1.503 -2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.471 -4.621 -4.430 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.742 -0.977 -2.623 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.757 -5.501 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.027 -1.858 -2.450 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.825 -4.974 -2.620 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.345 0.677 -4.677 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.373 1.687 -4.897 1.00 0.00 C ATOM 1106 C ASN A 72 -11.764 3.085 -4.935 1.00 0.00 C ATOM 1107 O ASN A 72 -10.550 3.246 -4.812 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.435 1.611 -3.798 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.564 0.662 -4.149 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -14.410 -0.217 -4.997 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.708 0.836 -3.497 1.00 0.00 N ATOM 0 H ASN A 72 -10.608 0.959 -4.031 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.842 1.488 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.968 1.288 -2.868 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.843 2.606 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.503 0.228 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.791 1.578 -2.802 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.615 4.092 -5.104 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.160 5.476 -5.158 1.00 0.00 C ATOM 1120 C GLU A 73 -11.808 5.988 -3.764 1.00 0.00 C ATOM 1121 O GLU A 73 -12.327 5.497 -2.762 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.235 6.366 -5.784 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.118 6.493 -7.294 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.598 7.837 -7.805 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.466 8.446 -7.146 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.106 8.280 -8.864 1.00 0.00 O ATOM 0 H GLU A 73 -13.623 3.975 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.263 5.513 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.217 5.963 -5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.177 7.359 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.079 6.347 -7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.697 5.700 -7.768 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.922 6.977 -3.710 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.500 7.556 -2.440 1.00 0.00 C ATOM 1135 C VAL A 74 -10.199 9.044 -2.588 1.00 0.00 C ATOM 1136 O VAL A 74 -9.368 9.442 -3.403 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.253 6.844 -1.885 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.505 5.350 -1.752 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.047 7.113 -2.772 1.00 0.00 C ATOM 0 H VAL A 74 -10.483 7.394 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.326 7.423 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.041 7.242 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.612 4.864 -1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.340 5.181 -1.072 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.744 4.933 -2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.175 6.602 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.246 6.745 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.855 8.185 -2.809 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.882 9.861 -1.793 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.688 11.306 -1.832 1.00 0.00 C ATOM 1151 C LYS A 75 -9.203 11.655 -1.840 1.00 0.00 C ATOM 1152 O LYS A 75 -8.576 11.767 -0.786 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.372 11.966 -0.633 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.955 13.334 -0.943 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.025 13.724 0.063 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.594 15.103 -0.236 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.499 15.576 0.848 1.00 0.00 N ATOM 0 H LYS A 75 -11.575 9.547 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.137 11.683 -2.751 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.168 11.313 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.651 12.063 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.160 14.079 -0.937 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.381 13.330 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.828 12.987 0.047 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.603 13.713 1.068 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.777 15.813 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.141 15.074 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.866 16.519 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.292 14.912 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.971 15.628 1.743 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.646 11.827 -3.034 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.235 12.167 -3.179 1.00 0.00 C ATOM 1173 C VAL A 76 -6.964 13.595 -2.720 1.00 0.00 C ATOM 1174 O VAL A 76 -5.933 13.876 -2.110 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.766 12.010 -4.637 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.615 12.864 -5.566 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.294 12.370 -4.765 1.00 0.00 C ATOM 0 H VAL A 76 -9.150 11.737 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.677 11.474 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.888 10.967 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.269 12.740 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.657 12.553 -5.495 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.528 13.912 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.980 12.253 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.144 13.404 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.702 11.711 -4.130 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.897 14.494 -3.018 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.758 15.894 -2.636 1.00 0.00 C ATOM 1189 C GLU A 77 -7.626 16.035 -1.123 1.00 0.00 C ATOM 1190 O GLU A 77 -7.112 17.036 -0.625 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.959 16.703 -3.132 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.220 16.554 -4.621 1.00 0.00 C ATOM 1193 CD GLU A 77 -8.488 17.593 -5.448 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -8.537 18.786 -5.083 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -7.864 17.211 -6.461 1.00 0.00 O ATOM 0 H GLU A 77 -8.757 14.278 -3.523 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.851 16.282 -3.100 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.848 16.392 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.796 17.756 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.914 15.558 -4.942 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.291 16.634 -4.808 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.094 15.024 -0.397 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.029 15.036 1.060 1.00 0.00 C ATOM 1204 C GLU A 78 -6.950 14.083 1.564 1.00 0.00 C ATOM 1205 O GLU A 78 -6.242 14.382 2.526 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.385 14.651 1.656 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.323 15.830 1.846 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.928 16.707 3.018 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -8.728 17.034 3.136 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.818 17.068 3.816 1.00 0.00 O ATOM 0 H GLU A 78 -8.522 14.187 -0.794 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.774 16.047 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.863 13.918 1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.225 14.166 2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.335 16.430 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.337 15.461 1.999 1.00 0.00 H new ATOM 1217 N SER A 79 -6.830 12.933 0.908 1.00 0.00 N ATOM 1218 CA SER A 79 -5.840 11.933 1.291 1.00 0.00 C ATOM 1219 C SER A 79 -4.479 12.580 1.530 1.00 0.00 C ATOM 1220 O SER A 79 -4.185 13.649 0.996 1.00 0.00 O ATOM 1221 CB SER A 79 -5.724 10.859 0.209 1.00 0.00 C ATOM 1222 OG SER A 79 -6.741 9.882 0.348 1.00 0.00 O ATOM 0 H SER A 79 -7.406 12.671 0.108 1.00 0.00 H new ATOM 0 HA SER A 79 -6.170 11.468 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.792 11.322 -0.776 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.746 10.381 0.270 1.00 0.00 H new ATOM 0 HG SER A 79 -7.596 10.255 0.048 1.00 0.00 H new ATOM 1228 N SER A 80 -3.653 11.923 2.338 1.00 0.00 N ATOM 1229 CA SER A 80 -2.324 12.435 2.652 1.00 0.00 C ATOM 1230 C SER A 80 -1.520 11.408 3.444 1.00 0.00 C ATOM 1231 O SER A 80 -2.058 10.712 4.305 1.00 0.00 O ATOM 1232 CB SER A 80 -2.430 13.738 3.446 1.00 0.00 C ATOM 1233 OG SER A 80 -2.800 13.488 4.791 1.00 0.00 O ATOM 0 H SER A 80 -3.880 11.036 2.787 1.00 0.00 H new ATOM 0 HA SER A 80 -1.806 12.632 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.475 14.262 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.166 14.393 2.979 1.00 0.00 H new ATOM 0 HG SER A 80 -2.859 14.337 5.277 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.228 11.321 3.147 1.00 0.00 N ATOM 1240 CA TRP A 81 0.651 10.379 3.830 1.00 0.00 C ATOM 1241 C TRP A 81 1.657 11.114 4.709 1.00 0.00 C ATOM 1242 O TRP A 81 1.758 12.341 4.662 1.00 0.00 O ATOM 1243 CB TRP A 81 1.387 9.506 2.813 1.00 0.00 C ATOM 1244 CG TRP A 81 2.299 10.283 1.913 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.947 10.979 0.792 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.715 10.440 2.057 1.00 0.00 C ATOM 1247 NE1 TRP A 81 3.059 11.560 0.231 1.00 0.00 N ATOM 1248 CE2 TRP A 81 4.156 11.245 0.988 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.653 9.981 2.985 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.492 11.598 0.825 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.979 10.332 2.822 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.389 11.135 1.748 1.00 0.00 C ATOM 0 H TRP A 81 0.234 11.891 2.438 1.00 0.00 H new ATOM 0 HA TRP A 81 0.036 9.743 4.466 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.968 8.753 3.345 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.655 8.974 2.205 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.943 11.061 0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 81 3.066 12.133 -0.613 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.347 9.362 3.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.810 12.216 -0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.712 9.982 3.534 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.433 11.393 1.648 1.00 0.00 H new ATOM 1263 N LEU A 82 2.399 10.358 5.511 1.00 0.00 N ATOM 1264 CA LEU A 82 3.399 10.938 6.401 1.00 0.00 C ATOM 1265 C LEU A 82 4.438 9.898 6.805 1.00 0.00 C ATOM 1266 O LEU A 82 4.261 8.703 6.564 1.00 0.00 O ATOM 1267 CB LEU A 82 2.726 11.515 7.648 1.00 0.00 C ATOM 1268 CG LEU A 82 2.319 10.502 8.719 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.502 10.166 9.613 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.159 11.039 9.547 1.00 0.00 C ATOM 0 H LEU A 82 2.327 9.342 5.563 1.00 0.00 H new ATOM 0 HA LEU A 82 3.906 11.740 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.403 12.240 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.836 12.062 7.336 1.00 0.00 H new ATOM 0 HG LEU A 82 1.994 9.588 8.222 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.193 9.444 10.369 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.304 9.740 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.858 11.073 10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.882 10.305 10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.458 11.967 10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.305 11.229 8.897 1.00 0.00 H new ATOM 1282 N ILE A 83 5.521 10.359 7.422 1.00 0.00 N ATOM 1283 CA ILE A 83 6.587 9.467 7.862 1.00 0.00 C ATOM 1284 C ILE A 83 6.482 9.182 9.356 1.00 0.00 C ATOM 1285 O ILE A 83 6.412 10.102 10.170 1.00 0.00 O ATOM 1286 CB ILE A 83 7.976 10.059 7.560 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.161 10.239 6.051 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.068 9.165 8.129 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.297 11.169 5.688 1.00 0.00 C ATOM 0 H ILE A 83 5.683 11.345 7.628 1.00 0.00 H new ATOM 0 HA ILE A 83 6.470 8.536 7.307 1.00 0.00 H new ATOM 0 HB ILE A 83 8.049 11.037 8.036 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.341 9.265 5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.236 10.625 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.044 9.597 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.945 9.082 9.209 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.999 8.175 7.679 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.369 11.249 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.110 12.155 6.113 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.232 10.774 6.086 1.00 0.00 H new ATOM 1301 N GLU A 84 6.475 7.900 9.709 1.00 0.00 N ATOM 1302 CA GLU A 84 6.380 7.494 11.106 1.00 0.00 C ATOM 1303 C GLU A 84 7.731 7.008 11.624 1.00 0.00 C ATOM 1304 O GLU A 84 8.339 6.105 11.050 1.00 0.00 O ATOM 1305 CB GLU A 84 5.332 6.391 11.270 1.00 0.00 C ATOM 1306 CG GLU A 84 3.928 6.917 11.516 1.00 0.00 C ATOM 1307 CD GLU A 84 3.780 7.571 12.876 1.00 0.00 C ATOM 1308 OE1 GLU A 84 4.029 6.889 13.893 1.00 0.00 O ATOM 1309 OE2 GLU A 84 3.415 8.764 12.924 1.00 0.00 O ATOM 0 H GLU A 84 6.534 7.126 9.047 1.00 0.00 H new ATOM 0 HA GLU A 84 6.077 8.363 11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.327 5.771 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.621 5.748 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.673 7.639 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.216 6.095 11.433 1.00 0.00 H new ATOM 1316 N ASP A 85 8.193 7.614 12.712 1.00 0.00 N ATOM 1317 CA ASP A 85 9.471 7.243 13.309 1.00 0.00 C ATOM 1318 C ASP A 85 10.548 7.096 12.238 1.00 0.00 C ATOM 1319 O ASP A 85 11.437 6.253 12.350 1.00 0.00 O ATOM 1320 CB ASP A 85 9.333 5.938 14.094 1.00 0.00 C ATOM 1321 CG ASP A 85 8.731 6.150 15.469 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.198 7.060 16.187 1.00 0.00 O ATOM 1323 OD2 ASP A 85 7.793 5.408 15.827 1.00 0.00 O ATOM 0 H ASP A 85 7.702 8.364 13.199 1.00 0.00 H new ATOM 0 HA ASP A 85 9.769 8.038 13.992 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.710 5.243 13.531 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.314 5.474 14.198 1.00 0.00 H new ATOM 1328 N GLY A 86 10.460 7.922 11.200 1.00 0.00 N ATOM 1329 CA GLY A 86 11.432 7.866 10.124 1.00 0.00 C ATOM 1330 C GLY A 86 11.810 6.445 9.756 1.00 0.00 C ATOM 1331 O GLY A 86 12.926 6.187 9.306 1.00 0.00 O ATOM 0 H GLY A 86 9.733 8.629 11.085 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.027 8.370 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.328 8.412 10.419 1.00 0.00 H new ATOM 1335 N LYS A 87 10.878 5.518 9.949 1.00 0.00 N ATOM 1336 CA LYS A 87 11.117 4.114 9.636 1.00 0.00 C ATOM 1337 C LYS A 87 9.970 3.538 8.811 1.00 0.00 C ATOM 1338 O LYS A 87 10.168 2.628 8.006 1.00 0.00 O ATOM 1339 CB LYS A 87 11.290 3.305 10.923 1.00 0.00 C ATOM 1340 CG LYS A 87 10.119 3.429 11.882 1.00 0.00 C ATOM 1341 CD LYS A 87 10.221 2.428 13.020 1.00 0.00 C ATOM 1342 CE LYS A 87 9.569 1.102 12.656 1.00 0.00 C ATOM 1343 NZ LYS A 87 9.975 0.011 13.584 1.00 0.00 N ATOM 0 H LYS A 87 9.949 5.714 10.321 1.00 0.00 H new ATOM 0 HA LYS A 87 12.033 4.049 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.429 2.255 10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.199 3.632 11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.086 4.440 12.288 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.186 3.272 11.341 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.269 2.263 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.743 2.837 13.910 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.485 1.212 12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.842 0.831 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.510 -0.875 13.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.007 -0.112 13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.692 0.257 14.554 1.00 0.00 H new ATOM 1357 N VAL A 88 8.772 4.075 9.016 1.00 0.00 N ATOM 1358 CA VAL A 88 7.594 3.615 8.290 1.00 0.00 C ATOM 1359 C VAL A 88 6.930 4.763 7.537 1.00 0.00 C ATOM 1360 O VAL A 88 7.094 5.930 7.892 1.00 0.00 O ATOM 1361 CB VAL A 88 6.563 2.975 9.239 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.429 2.342 8.447 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.234 1.948 10.139 1.00 0.00 C ATOM 0 H VAL A 88 8.591 4.829 9.679 1.00 0.00 H new ATOM 0 HA VAL A 88 7.935 2.864 7.577 1.00 0.00 H new ATOM 0 HB VAL A 88 6.141 3.757 9.870 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.711 1.895 9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.932 3.106 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.831 1.571 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.491 1.506 10.803 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.685 1.167 9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.008 2.435 10.733 1.00 0.00 H new ATOM 1373 N VAL A 89 6.180 4.423 6.493 1.00 0.00 N ATOM 1374 CA VAL A 89 5.489 5.425 5.690 1.00 0.00 C ATOM 1375 C VAL A 89 3.989 5.157 5.648 1.00 0.00 C ATOM 1376 O VAL A 89 3.517 4.322 4.877 1.00 0.00 O ATOM 1377 CB VAL A 89 6.033 5.461 4.249 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.232 6.436 3.400 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.510 5.827 4.247 1.00 0.00 C ATOM 0 H VAL A 89 6.036 3.462 6.184 1.00 0.00 H new ATOM 0 HA VAL A 89 5.670 6.390 6.164 1.00 0.00 H new ATOM 0 HB VAL A 89 5.928 4.467 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.631 6.448 2.386 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.188 6.125 3.376 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.303 7.435 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.878 5.848 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.642 6.810 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.069 5.086 4.818 1.00 0.00 H new ATOM 1389 N THR A 90 3.243 5.872 6.484 1.00 0.00 N ATOM 1390 CA THR A 90 1.795 5.713 6.544 1.00 0.00 C ATOM 1391 C THR A 90 1.101 6.601 5.518 1.00 0.00 C ATOM 1392 O THR A 90 1.532 7.725 5.263 1.00 0.00 O ATOM 1393 CB THR A 90 1.251 6.045 7.946 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.675 7.355 8.339 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.729 5.025 8.968 1.00 0.00 C ATOM 0 H THR A 90 3.618 6.567 7.129 1.00 0.00 H new ATOM 0 HA THR A 90 1.582 4.668 6.318 1.00 0.00 H new ATOM 0 HB THR A 90 0.162 6.013 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.914 7.847 8.711 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.332 5.281 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.380 4.033 8.682 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.818 5.030 9.005 1.00 0.00 H new ATOM 1403 N VAL A 91 0.023 6.089 4.933 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.733 6.837 3.935 1.00 0.00 C ATOM 1405 C VAL A 91 -2.223 6.833 4.258 1.00 0.00 C ATOM 1406 O VAL A 91 -2.900 5.817 4.104 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.523 6.259 2.523 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.191 7.143 1.480 1.00 0.00 C ATOM 1409 CG2 VAL A 91 0.961 6.100 2.228 1.00 0.00 C ATOM 0 H VAL A 91 -0.347 5.160 5.133 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.362 7.862 3.959 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.986 5.273 2.480 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.032 6.719 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.260 7.201 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.759 8.143 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.091 5.690 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.450 7.072 2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.406 5.423 2.957 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.729 7.978 4.706 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.140 8.108 5.050 1.00 0.00 C ATOM 1421 C HIS A 92 -4.996 8.234 3.793 1.00 0.00 C ATOM 1422 O HIS A 92 -4.868 9.197 3.036 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.357 9.322 5.953 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.730 9.912 5.844 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.870 9.243 6.237 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.142 11.116 5.385 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -7.924 10.009 6.022 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.509 11.152 5.506 1.00 0.00 N ATOM 0 H HIS A 92 -2.183 8.829 4.839 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.442 7.208 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.176 9.032 6.988 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.621 10.086 5.703 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.513 11.903 4.996 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.950 9.746 6.232 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.107 11.934 5.241 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.868 7.255 3.577 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.745 7.256 2.411 1.00 0.00 C ATOM 1439 C LEU A 93 -8.197 7.479 2.822 1.00 0.00 C ATOM 1440 O LEU A 93 -8.752 6.716 3.612 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.616 5.935 1.651 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.396 5.802 0.739 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.230 4.363 0.275 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.517 6.738 -0.454 1.00 0.00 C ATOM 0 H LEU A 93 -5.987 6.451 4.193 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.441 8.075 1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.592 5.122 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.513 5.797 1.047 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.510 6.083 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.357 4.288 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.096 3.715 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.118 4.054 -0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.640 6.630 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.413 6.488 -1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.585 7.768 -0.103 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.805 8.529 2.280 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.193 8.852 2.590 1.00 0.00 C ATOM 1458 C GLU A 94 -11.146 8.100 1.664 1.00 0.00 C ATOM 1459 O GLU A 94 -11.113 8.274 0.446 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.429 10.358 2.468 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.880 10.765 2.665 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.219 11.033 4.118 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.209 10.072 4.916 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -12.495 12.202 4.458 1.00 0.00 O ATOM 0 H GLU A 94 -8.359 9.170 1.624 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.391 8.543 3.616 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.813 10.875 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.098 10.691 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.085 11.660 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.529 9.977 2.284 1.00 0.00 H new ATOM 1471 N LYS A 95 -11.994 7.263 2.252 1.00 0.00 N ATOM 1472 CA LYS A 95 -12.957 6.484 1.482 1.00 0.00 C ATOM 1473 C LYS A 95 -14.127 7.355 1.034 1.00 0.00 C ATOM 1474 O LYS A 95 -14.878 7.874 1.860 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.473 5.307 2.314 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.516 4.129 2.358 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.172 2.901 2.968 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.135 1.899 3.453 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.768 0.710 4.089 1.00 0.00 N ATOM 0 H LYS A 95 -12.034 7.107 3.259 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.451 6.101 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.664 5.648 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.427 4.974 1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.176 3.897 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.633 4.397 2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.806 3.202 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.819 2.428 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.520 1.577 2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.470 2.382 4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.659 0.769 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.780 0.685 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.308 -0.156 3.741 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.276 7.509 -0.277 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.355 8.315 -0.833 1.00 0.00 C ATOM 1495 C ILE A 96 -16.676 8.025 -0.129 1.00 0.00 C ATOM 1496 O ILE A 96 -17.469 8.931 0.122 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.525 8.062 -2.343 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.276 8.514 -3.102 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.759 8.785 -2.865 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.962 9.984 -2.928 1.00 0.00 C ATOM 0 H ILE A 96 -13.663 7.086 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.083 9.359 -0.676 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.658 6.992 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.423 7.926 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.409 8.302 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.866 8.597 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.643 8.420 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.653 9.856 -2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.064 10.234 -3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.798 10.580 -3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.797 10.198 -1.872 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.905 6.755 0.188 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.130 6.345 0.866 1.00 0.00 C ATOM 1514 C ASN A 97 -17.817 5.682 2.203 1.00 0.00 C ATOM 1515 O ASN A 97 -17.334 4.550 2.250 1.00 0.00 O ATOM 1516 CB ASN A 97 -18.929 5.384 -0.018 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.616 6.093 -1.169 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -19.786 7.312 -1.149 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.015 5.330 -2.180 1.00 0.00 N ATOM 0 H ASN A 97 -16.259 5.992 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.727 7.237 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.262 4.618 -0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.677 4.873 0.589 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.483 5.751 -2.983 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.853 4.323 -2.154 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.094 6.394 3.290 1.00 0.00 N ATOM 1527 CA LYS A 98 -17.844 5.876 4.630 1.00 0.00 C ATOM 1528 C LYS A 98 -18.624 4.587 4.869 1.00 0.00 C ATOM 1529 O LYS A 98 -18.166 3.697 5.584 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.227 6.919 5.682 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.564 8.269 5.469 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.071 8.207 5.744 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.331 9.345 5.058 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.366 10.596 5.866 1.00 0.00 N ATOM 0 H LYS A 98 -18.492 7.333 3.269 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.780 5.657 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.309 7.050 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.958 6.543 6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.733 8.600 4.444 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.025 9.009 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.896 8.253 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.675 7.253 5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.295 9.053 4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.777 9.531 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.851 11.348 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.353 10.889 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.918 10.426 6.789 1.00 0.00 H new ATOM 1548 N MET A 99 -19.805 4.494 4.265 1.00 0.00 N ATOM 1549 CA MET A 99 -20.647 3.313 4.410 1.00 0.00 C ATOM 1550 C MET A 99 -20.245 2.232 3.412 1.00 0.00 C ATOM 1551 O MET A 99 -21.077 1.437 2.977 1.00 0.00 O ATOM 1552 CB MET A 99 -22.119 3.682 4.216 1.00 0.00 C ATOM 1553 CG MET A 99 -22.755 4.312 5.444 1.00 0.00 C ATOM 1554 SD MET A 99 -23.213 3.092 6.692 1.00 0.00 S ATOM 1555 CE MET A 99 -22.857 3.997 8.196 1.00 0.00 C ATOM 0 H MET A 99 -20.200 5.223 3.671 1.00 0.00 H new ATOM 0 HA MET A 99 -20.509 2.921 5.418 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.204 4.374 3.378 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.677 2.785 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.060 5.030 5.881 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.642 4.869 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 99 -23.090 3.374 9.059 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.801 4.267 8.217 1.00 0.00 H new ATOM 0 HE3 MET A 99 -23.463 4.902 8.228 1.00 0.00 H new ATOM 1565 N GLU A 100 -18.965 2.211 3.052 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.455 1.228 2.104 1.00 0.00 C ATOM 1567 C GLU A 100 -17.231 0.512 2.667 1.00 0.00 C ATOM 1568 O GLU A 100 -16.355 1.136 3.265 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.099 1.903 0.777 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.490 0.957 -0.243 1.00 0.00 C ATOM 1571 CD GLU A 100 -17.794 1.365 -1.672 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -17.348 2.456 -2.086 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.479 0.593 -2.376 1.00 0.00 O ATOM 0 H GLU A 100 -18.263 2.863 3.402 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.238 0.490 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.999 2.350 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.399 2.716 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.410 0.922 -0.101 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.867 -0.051 -0.069 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.179 -0.801 2.471 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.063 -1.602 2.960 1.00 0.00 C ATOM 1582 C TRP A 101 -15.108 -1.955 1.825 1.00 0.00 C ATOM 1583 O TRP A 101 -15.431 -1.774 0.651 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.578 -2.879 3.626 1.00 0.00 C ATOM 1585 CG TRP A 101 -16.973 -2.685 5.058 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.242 -2.659 5.562 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.093 -2.487 6.170 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.204 -2.458 6.921 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -16.898 -2.350 7.319 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.705 -2.415 6.309 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.357 -2.144 8.585 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.170 -2.210 7.566 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -14.995 -2.077 8.691 1.00 0.00 C ATOM 0 H TRP A 101 -17.896 -1.333 1.977 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.519 -1.011 3.697 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.437 -3.251 3.067 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.805 -3.646 3.571 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.143 -2.779 4.978 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.017 -2.399 7.534 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.061 -2.518 5.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -16.991 -2.041 9.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.098 -2.151 7.684 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.547 -1.919 9.661 1.00 0.00 H new ATOM 1604 N TRP A 102 -13.932 -2.459 2.183 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.931 -2.838 1.192 1.00 0.00 C ATOM 1606 C TRP A 102 -12.520 -4.296 1.364 1.00 0.00 C ATOM 1607 O TRP A 102 -12.370 -4.781 2.484 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.703 -1.933 1.307 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.873 -0.612 0.619 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.986 0.180 0.628 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.900 0.070 -0.180 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.763 1.312 -0.118 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.491 1.269 -0.623 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.587 -0.216 -0.564 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.813 2.179 -1.430 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.915 0.688 -1.364 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.528 1.874 -1.790 1.00 0.00 C ATOM 0 H TRP A 102 -13.649 -2.614 3.150 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.372 -2.718 0.202 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.485 -1.760 2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.840 -2.447 0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.906 -0.050 1.145 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.436 2.063 -0.271 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.106 -1.128 -0.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.284 3.093 -1.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.900 0.477 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.976 2.561 -2.414 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.339 -4.991 0.245 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.946 -6.395 0.273 1.00 0.00 C ATOM 1630 C ASN A 103 -10.426 -6.535 0.259 1.00 0.00 C ATOM 1631 O ASN A 103 -9.887 -7.590 0.590 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.548 -7.139 -0.921 1.00 0.00 C ATOM 1633 CG ASN A 103 -14.045 -7.339 -0.782 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -14.828 -6.411 -0.986 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -14.449 -8.554 -0.431 1.00 0.00 N ATOM 0 H ASN A 103 -12.458 -4.605 -0.691 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.326 -6.834 1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.342 -6.581 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.062 -8.109 -1.023 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.444 -8.748 -0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.764 -9.293 -0.272 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.743 -5.462 -0.127 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.286 -5.465 -0.185 1.00 0.00 C ATOM 1644 C ARG A 104 -7.751 -4.065 -0.471 1.00 0.00 C ATOM 1645 O ARG A 104 -8.503 -3.166 -0.850 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.799 -6.438 -1.260 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.244 -6.066 -2.665 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.905 -7.160 -3.665 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.521 -6.921 -4.968 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.604 -7.843 -5.921 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -8.114 -9.058 -5.718 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.179 -7.549 -7.080 1.00 0.00 N ATOM 0 H ARG A 104 -10.175 -4.580 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.909 -5.788 0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.710 -6.481 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.164 -7.438 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.319 -5.886 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.763 -5.135 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.823 -7.222 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.239 -8.122 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.908 -5.996 -5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.672 -9.287 -4.828 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.179 -9.763 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.557 -6.615 -7.239 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.243 -8.257 -7.812 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.447 -3.887 -0.286 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.810 -2.596 -0.523 1.00 0.00 C ATOM 1668 C LEU A 105 -5.781 -2.269 -2.013 1.00 0.00 C ATOM 1669 O LEU A 105 -6.220 -1.198 -2.433 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.388 -2.596 0.039 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.608 -1.288 -0.107 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.321 -0.158 0.620 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.189 -1.452 0.418 1.00 0.00 C ATOM 0 H LEU A 105 -5.811 -4.620 0.027 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.395 -1.830 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.437 -2.850 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.824 -3.389 -0.453 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.555 -1.035 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.752 0.765 0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.317 -0.025 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.406 -0.403 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.649 -0.512 0.306 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.221 -1.729 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.680 -2.232 -0.147 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.262 -3.199 -2.808 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.179 -3.012 -4.251 1.00 0.00 C ATOM 1687 C VAL A 106 -5.616 -4.269 -4.995 1.00 0.00 C ATOM 1688 O VAL A 106 -6.044 -5.249 -4.384 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.748 -2.642 -4.687 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.424 -1.208 -4.295 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.741 -3.609 -4.084 1.00 0.00 C ATOM 0 H VAL A 106 -4.893 -4.090 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.852 -2.192 -4.503 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.686 -2.719 -5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.410 -0.965 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.127 -0.531 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.503 -1.100 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.736 -3.333 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.802 -3.566 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.963 -4.622 -4.420 1.00 0.00 H new ATOM 1701 N THR A 107 -5.504 -4.235 -6.319 1.00 0.00 N ATOM 1702 CA THR A 107 -5.888 -5.371 -7.148 1.00 0.00 C ATOM 1703 C THR A 107 -4.759 -6.391 -7.240 1.00 0.00 C ATOM 1704 O THR A 107 -4.672 -7.149 -8.206 1.00 0.00 O ATOM 1705 CB THR A 107 -6.279 -4.923 -8.569 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.203 -4.189 -9.164 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.532 -4.063 -8.540 1.00 0.00 C ATOM 0 H THR A 107 -5.150 -3.433 -6.840 1.00 0.00 H new ATOM 0 HA THR A 107 -6.752 -5.833 -6.671 1.00 0.00 H new ATOM 0 HB THR A 107 -6.484 -5.813 -9.164 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.458 -3.909 -10.068 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.788 -3.759 -9.555 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.356 -4.635 -8.114 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.351 -3.177 -7.931 1.00 0.00 H new ATOM 1715 N SER A 108 -3.896 -6.405 -6.229 1.00 0.00 N ATOM 1716 CA SER A 108 -2.770 -7.330 -6.199 1.00 0.00 C ATOM 1717 C SER A 108 -2.771 -8.145 -4.909 1.00 0.00 C ATOM 1718 O SER A 108 -2.408 -9.321 -4.904 1.00 0.00 O ATOM 1719 CB SER A 108 -1.451 -6.566 -6.332 1.00 0.00 C ATOM 1720 OG SER A 108 -1.476 -5.697 -7.450 1.00 0.00 O ATOM 0 H SER A 108 -3.955 -5.786 -5.420 1.00 0.00 H new ATOM 0 HA SER A 108 -2.871 -8.015 -7.041 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.267 -5.991 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.627 -7.272 -6.435 1.00 0.00 H new ATOM 0 HG SER A 108 -0.623 -5.219 -7.512 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.181 -7.510 -3.816 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.231 -8.174 -2.519 1.00 0.00 C ATOM 1728 C ASP A 109 -4.322 -9.241 -2.496 1.00 0.00 C ATOM 1729 O ASP A 109 -5.298 -9.181 -3.244 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.476 -7.153 -1.408 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.290 -6.232 -1.196 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.567 -5.961 -2.177 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.085 -5.783 -0.049 1.00 0.00 O ATOM 0 H ASP A 109 -3.484 -6.536 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.270 -8.659 -2.350 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.355 -6.558 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.696 -7.678 -0.478 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.153 -10.241 -1.619 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.113 -11.341 -1.478 1.00 0.00 C ATOM 1740 C PRO A 110 -6.428 -10.885 -0.855 1.00 0.00 C ATOM 1741 O PRO A 110 -6.444 -10.022 0.021 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.394 -12.323 -0.551 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.443 -11.481 0.228 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.013 -10.377 -0.697 1.00 0.00 C ATOM 0 HA PRO A 110 -5.388 -11.768 -2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.098 -12.836 0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.869 -13.091 -1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.920 -11.078 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.586 -12.067 0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.822 -9.451 -0.155 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.095 -10.632 -1.227 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.529 -11.472 -1.314 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.849 -11.125 -0.801 1.00 0.00 C ATOM 1754 C GLU A 111 -8.994 -11.548 0.659 1.00 0.00 C ATOM 1755 O GLU A 111 -8.304 -12.456 1.124 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.940 -11.787 -1.645 1.00 0.00 C ATOM 1757 CG GLU A 111 -10.120 -11.151 -3.013 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.994 -11.982 -3.933 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -12.137 -12.297 -3.541 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -10.535 -12.317 -5.044 1.00 0.00 O ATOM 0 H GLU A 111 -7.533 -12.189 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.960 -10.042 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.699 -12.842 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.885 -11.740 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.562 -10.162 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.143 -11.010 -3.475 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.895 -10.884 1.374 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.131 -11.191 2.780 1.00 0.00 C ATOM 1769 C ILE A 112 -11.623 -11.256 3.085 1.00 0.00 C ATOM 1770 O ILE A 112 -12.406 -10.451 2.582 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.474 -10.146 3.702 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.793 -8.731 3.214 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -7.970 -10.365 3.764 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.724 -7.686 4.305 1.00 0.00 C ATOM 0 H ILE A 112 -10.474 -10.130 1.004 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.681 -12.165 2.971 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.880 -10.263 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.095 -8.463 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.791 -8.723 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.520 -9.619 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.763 -11.362 4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.547 -10.271 2.764 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.961 -6.708 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.442 -7.930 5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.719 -7.666 4.727 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.010 -12.219 3.915 1.00 0.00 N ATOM 1787 CA ASN A 113 -13.409 -12.389 4.290 1.00 0.00 C ATOM 1788 C ASN A 113 -13.973 -11.102 4.885 1.00 0.00 C ATOM 1789 O ASN A 113 -13.508 -10.628 5.922 1.00 0.00 O ATOM 1790 CB ASN A 113 -13.555 -13.535 5.293 1.00 0.00 C ATOM 1791 CG ASN A 113 -14.804 -13.404 6.143 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -14.802 -12.724 7.169 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -15.880 -14.057 5.718 1.00 0.00 N ATOM 0 H ASN A 113 -11.374 -12.894 4.341 1.00 0.00 H new ATOM 0 HA ASN A 113 -13.974 -12.630 3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -13.582 -14.483 4.756 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -12.679 -13.561 5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.750 -14.006 6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.836 -14.609 4.861 1.00 0.00 H new ATOM 1800 N THR A 114 -14.980 -10.542 4.222 1.00 0.00 N ATOM 1801 CA THR A 114 -15.608 -9.310 4.684 1.00 0.00 C ATOM 1802 C THR A 114 -16.946 -9.594 5.357 1.00 0.00 C ATOM 1803 O THR A 114 -17.607 -10.587 5.054 1.00 0.00 O ATOM 1804 CB THR A 114 -15.829 -8.323 3.523 1.00 0.00 C ATOM 1805 OG1 THR A 114 -16.657 -8.923 2.520 1.00 0.00 O ATOM 1806 CG2 THR A 114 -14.502 -7.903 2.909 1.00 0.00 C ATOM 0 H THR A 114 -15.378 -10.922 3.363 1.00 0.00 H new ATOM 0 HA THR A 114 -14.928 -8.861 5.408 1.00 0.00 H new ATOM 0 HB THR A 114 -16.324 -7.436 3.919 1.00 0.00 H new ATOM 0 HG1 THR A 114 -16.794 -8.288 1.786 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.684 -7.206 2.091 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.887 -7.419 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.983 -8.782 2.527 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.340 -8.716 6.274 1.00 0.00 N ATOM 1815 CA LYS A 115 -18.601 -8.870 6.990 1.00 0.00 C ATOM 1816 C LYS A 115 -19.070 -7.535 7.558 1.00 0.00 C ATOM 1817 O LYS A 115 -18.261 -6.712 7.985 1.00 0.00 O ATOM 1818 CB LYS A 115 -18.448 -9.892 8.119 1.00 0.00 C ATOM 1819 CG LYS A 115 -17.510 -9.441 9.225 1.00 0.00 C ATOM 1820 CD LYS A 115 -17.825 -10.133 10.540 1.00 0.00 C ATOM 1821 CE LYS A 115 -16.761 -9.847 11.589 1.00 0.00 C ATOM 1822 NZ LYS A 115 -16.870 -10.767 12.755 1.00 0.00 N ATOM 0 H LYS A 115 -16.803 -7.890 6.539 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.350 -9.227 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -19.429 -10.097 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.080 -10.829 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.480 -9.653 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.589 -8.361 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -18.796 -9.799 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.898 -11.208 10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.773 -9.945 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.855 -8.816 11.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.128 -10.540 13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -17.804 -10.655 13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -16.755 -11.749 12.434 1.00 0.00 H new ATOM 1836 N SER A 116 -20.383 -7.328 7.562 1.00 0.00 N ATOM 1837 CA SER A 116 -20.961 -6.091 8.076 1.00 0.00 C ATOM 1838 C SER A 116 -21.519 -6.295 9.481 1.00 0.00 C ATOM 1839 O SER A 116 -21.126 -5.608 10.423 1.00 0.00 O ATOM 1840 CB SER A 116 -22.066 -5.593 7.143 1.00 0.00 C ATOM 1841 OG SER A 116 -22.267 -4.198 7.290 1.00 0.00 O ATOM 0 H SER A 116 -21.067 -8.001 7.215 1.00 0.00 H new ATOM 0 HA SER A 116 -20.171 -5.342 8.123 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.803 -5.819 6.110 1.00 0.00 H new ATOM 0 HB3 SER A 116 -22.994 -6.122 7.359 1.00 0.00 H new ATOM 0 HG SER A 116 -22.977 -3.904 6.682 1.00 0.00 H new ATOM 1847 N GLY A 117 -22.438 -7.247 9.614 1.00 0.00 N ATOM 1848 CA GLY A 117 -23.036 -7.526 10.906 1.00 0.00 C ATOM 1849 C GLY A 117 -23.448 -8.977 11.053 1.00 0.00 C ATOM 1850 O GLY A 117 -23.613 -9.700 10.071 1.00 0.00 O ATOM 0 H GLY A 117 -22.779 -7.830 8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -22.327 -7.271 11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -23.909 -6.888 11.044 1.00 0.00 H new ATOM 1854 N PRO A 118 -23.620 -9.423 12.307 1.00 0.00 N ATOM 1855 CA PRO A 118 -24.016 -10.801 12.609 1.00 0.00 C ATOM 1856 C PRO A 118 -25.457 -11.092 12.203 1.00 0.00 C ATOM 1857 O PRO A 118 -25.735 -12.090 11.538 1.00 0.00 O ATOM 1858 CB PRO A 118 -23.860 -10.890 14.129 1.00 0.00 C ATOM 1859 CG PRO A 118 -24.013 -9.488 14.608 1.00 0.00 C ATOM 1860 CD PRO A 118 -23.441 -8.616 13.525 1.00 0.00 C ATOM 0 HA PRO A 118 -23.415 -11.527 12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -24.615 -11.543 14.567 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -22.888 -11.298 14.404 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -25.061 -9.249 14.788 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.485 -9.338 15.550 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -23.966 -7.663 13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.390 -8.388 13.705 1.00 0.00 H new ATOM 1868 N SER A 119 -26.370 -10.215 12.607 1.00 0.00 N ATOM 1869 CA SER A 119 -27.783 -10.380 12.289 1.00 0.00 C ATOM 1870 C SER A 119 -28.337 -11.655 12.918 1.00 0.00 C ATOM 1871 O SER A 119 -29.070 -12.408 12.277 1.00 0.00 O ATOM 1872 CB SER A 119 -27.985 -10.416 10.773 1.00 0.00 C ATOM 1873 OG SER A 119 -29.362 -10.469 10.442 1.00 0.00 O ATOM 0 H SER A 119 -26.156 -9.382 13.156 1.00 0.00 H new ATOM 0 HA SER A 119 -28.324 -9.528 12.701 1.00 0.00 H new ATOM 0 HB2 SER A 119 -27.533 -9.532 10.322 1.00 0.00 H new ATOM 0 HB3 SER A 119 -27.474 -11.284 10.356 1.00 0.00 H new ATOM 0 HG SER A 119 -29.762 -11.272 10.836 1.00 0.00 H new ATOM 1879 N SER A 120 -27.979 -11.890 14.176 1.00 0.00 N ATOM 1880 CA SER A 120 -28.436 -13.075 14.892 1.00 0.00 C ATOM 1881 C SER A 120 -29.958 -13.098 14.989 1.00 0.00 C ATOM 1882 O SER A 120 -30.550 -12.401 15.812 1.00 0.00 O ATOM 1883 CB SER A 120 -27.824 -13.118 16.293 1.00 0.00 C ATOM 1884 OG SER A 120 -26.489 -13.593 16.252 1.00 0.00 O ATOM 0 H SER A 120 -27.374 -11.275 14.721 1.00 0.00 H new ATOM 0 HA SER A 120 -28.111 -13.954 14.334 1.00 0.00 H new ATOM 0 HB2 SER A 120 -27.845 -12.121 16.733 1.00 0.00 H new ATOM 0 HB3 SER A 120 -28.423 -13.763 16.935 1.00 0.00 H new ATOM 0 HG SER A 120 -26.120 -13.609 17.160 1.00 0.00 H new ATOM 1890 N GLY A 121 -30.587 -13.906 14.140 1.00 0.00 N ATOM 1891 CA GLY A 121 -32.035 -14.005 14.145 1.00 0.00 C ATOM 1892 C GLY A 121 -32.595 -14.381 12.788 1.00 0.00 C ATOM 1893 O GLY A 121 -33.099 -13.527 12.058 1.00 0.00 O ATOM 0 H GLY A 121 -30.120 -14.493 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -32.343 -14.749 14.880 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -32.460 -13.052 14.459 1.00 0.00 H new TER 1897 GLY A 121