USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 64 GLN : amide:sc= -0.605 X(o=-0.61,f=-0.84) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 130:sc= 0.559 USER MOD Set 2.2: A 95 GLN : amide:sc= -0.577 K(o=-0.018,f=-1.8!) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0185 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0237 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 12:sc= 0.896 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00609 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.0461 (180deg=-2.19!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 37:sc= 0.432 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -2.35! C(o=-2.3!,f=-3.9!) USER MOD Single : A 24 HIS : no HD1:sc= -1.68 X(o=-1.7,f=-1.3) USER MOD Single : A 26 ASN : amide:sc= -0.142 K(o=-0.14,f=-1.3) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.992! C(o=-0.99!,f=-3.8!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 48 SER OG : rot 180:sc= -0.511 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -100:sc= 0 (180deg=-0.534) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 137:sc= -0.299 USER MOD Single : A 58 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.9) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 153:sc= -0.0896 (180deg=-1.81) USER MOD Single : A 72 GLN : amide:sc= -2.24 K(o=-2.2,f=-3.2!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.4) USER MOD Single : A 85 MET CE :methyl 179:sc= -5.72! (180deg=-5.98!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.891 K(o=-0.89,f=-2.7) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.870 2.541 -35.034 1.00 0.00 N ATOM 2 CA GLY A 1 20.462 3.740 -34.325 1.00 0.00 C ATOM 3 C GLY A 1 19.119 3.580 -33.641 1.00 0.00 C ATOM 4 O GLY A 1 18.241 2.874 -34.138 1.00 0.00 O ATOM 0 H1 GLY A 1 21.202 2.797 -35.986 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.640 2.074 -34.513 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.061 1.892 -35.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.217 3.993 -33.581 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.413 4.574 -35.026 1.00 0.00 H new ATOM 8 N SER A 2 18.957 4.236 -32.497 1.00 0.00 N ATOM 9 CA SER A 2 17.713 4.158 -31.740 1.00 0.00 C ATOM 10 C SER A 2 17.429 5.476 -31.025 1.00 0.00 C ATOM 11 O SER A 2 18.327 6.294 -30.828 1.00 0.00 O ATOM 12 CB SER A 2 17.780 3.018 -30.723 1.00 0.00 C ATOM 13 OG SER A 2 18.173 1.805 -31.342 1.00 0.00 O ATOM 0 H SER A 2 19.672 4.828 -32.074 1.00 0.00 H new ATOM 0 HA SER A 2 16.902 3.962 -32.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.487 3.272 -29.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.806 2.890 -30.251 1.00 0.00 H new ATOM 0 HG SER A 2 18.210 1.092 -30.671 1.00 0.00 H new ATOM 19 N SER A 3 16.172 5.674 -30.640 1.00 0.00 N ATOM 20 CA SER A 3 15.767 6.893 -29.951 1.00 0.00 C ATOM 21 C SER A 3 14.858 6.572 -28.768 1.00 0.00 C ATOM 22 O SER A 3 14.487 5.420 -28.550 1.00 0.00 O ATOM 23 CB SER A 3 15.050 7.837 -30.918 1.00 0.00 C ATOM 24 OG SER A 3 13.772 7.334 -31.268 1.00 0.00 O ATOM 0 H SER A 3 15.417 5.006 -30.794 1.00 0.00 H new ATOM 0 HA SER A 3 16.665 7.383 -29.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.944 8.820 -30.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.652 7.967 -31.817 1.00 0.00 H new ATOM 0 HG SER A 3 13.333 7.956 -31.885 1.00 0.00 H new ATOM 30 N GLY A 4 14.503 7.603 -28.006 1.00 0.00 N ATOM 31 CA GLY A 4 13.640 7.411 -26.855 1.00 0.00 C ATOM 32 C GLY A 4 13.624 8.616 -25.936 1.00 0.00 C ATOM 33 O GLY A 4 14.610 8.901 -25.256 1.00 0.00 O ATOM 0 H GLY A 4 14.797 8.566 -28.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.626 7.204 -27.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.973 6.536 -26.297 1.00 0.00 H new ATOM 37 N SER A 5 12.502 9.328 -25.916 1.00 0.00 N ATOM 38 CA SER A 5 12.363 10.514 -25.078 1.00 0.00 C ATOM 39 C SER A 5 10.892 10.844 -24.844 1.00 0.00 C ATOM 40 O SER A 5 10.133 11.053 -25.791 1.00 0.00 O ATOM 41 CB SER A 5 13.069 11.707 -25.725 1.00 0.00 C ATOM 42 OG SER A 5 12.312 12.223 -26.806 1.00 0.00 O ATOM 0 H SER A 5 11.676 9.104 -26.471 1.00 0.00 H new ATOM 0 HA SER A 5 12.828 10.305 -24.115 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.225 12.488 -24.981 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.054 11.402 -26.079 1.00 0.00 H new ATOM 0 HG SER A 5 11.416 11.827 -26.796 1.00 0.00 H new ATOM 48 N SER A 6 10.496 10.889 -23.576 1.00 0.00 N ATOM 49 CA SER A 6 9.116 11.190 -23.216 1.00 0.00 C ATOM 50 C SER A 6 8.962 11.307 -21.703 1.00 0.00 C ATOM 51 O SER A 6 9.686 10.665 -20.943 1.00 0.00 O ATOM 52 CB SER A 6 8.178 10.107 -23.754 1.00 0.00 C ATOM 53 OG SER A 6 6.894 10.204 -23.162 1.00 0.00 O ATOM 0 H SER A 6 11.112 10.721 -22.781 1.00 0.00 H new ATOM 0 HA SER A 6 8.850 12.147 -23.665 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.091 10.202 -24.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.601 9.123 -23.553 1.00 0.00 H new ATOM 0 HG SER A 6 6.313 9.502 -23.524 1.00 0.00 H new ATOM 59 N GLY A 7 8.012 12.132 -21.273 1.00 0.00 N ATOM 60 CA GLY A 7 7.780 12.319 -19.852 1.00 0.00 C ATOM 61 C GLY A 7 7.492 13.764 -19.497 1.00 0.00 C ATOM 62 O GLY A 7 8.207 14.367 -18.697 1.00 0.00 O ATOM 0 H GLY A 7 7.399 12.674 -21.882 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.941 11.697 -19.539 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.654 11.979 -19.296 1.00 0.00 H new ATOM 66 N MET A 8 6.444 14.322 -20.095 1.00 0.00 N ATOM 67 CA MET A 8 6.065 15.706 -19.837 1.00 0.00 C ATOM 68 C MET A 8 4.578 15.812 -19.516 1.00 0.00 C ATOM 69 O MET A 8 3.740 15.854 -20.416 1.00 0.00 O ATOM 70 CB MET A 8 6.401 16.583 -21.045 1.00 0.00 C ATOM 71 CG MET A 8 6.210 15.879 -22.379 1.00 0.00 C ATOM 72 SD MET A 8 6.020 17.032 -23.752 1.00 0.00 S ATOM 73 CE MET A 8 5.167 16.002 -24.944 1.00 0.00 C ATOM 0 H MET A 8 5.843 13.837 -20.761 1.00 0.00 H new ATOM 0 HA MET A 8 6.631 16.056 -18.974 1.00 0.00 H new ATOM 0 HB2 MET A 8 5.775 17.475 -21.021 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.435 16.917 -20.965 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.066 15.231 -22.569 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.331 15.237 -22.324 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.978 16.576 -25.851 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.784 15.136 -25.184 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.219 15.666 -24.523 1.00 0.00 H new ATOM 83 N ALA A 9 4.258 15.854 -18.226 1.00 0.00 N ATOM 84 CA ALA A 9 2.872 15.956 -17.787 1.00 0.00 C ATOM 85 C ALA A 9 2.790 16.324 -16.309 1.00 0.00 C ATOM 86 O ALA A 9 3.763 16.177 -15.569 1.00 0.00 O ATOM 87 CB ALA A 9 2.137 14.649 -18.049 1.00 0.00 C ATOM 0 H ALA A 9 4.940 15.819 -17.468 1.00 0.00 H new ATOM 0 HA ALA A 9 2.393 16.750 -18.360 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.103 14.740 -17.716 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.157 14.428 -19.116 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.624 13.842 -17.503 1.00 0.00 H new ATOM 93 N ASP A 10 1.625 16.803 -15.887 1.00 0.00 N ATOM 94 CA ASP A 10 1.417 17.192 -14.497 1.00 0.00 C ATOM 95 C ASP A 10 1.055 15.981 -13.642 1.00 0.00 C ATOM 96 O ASP A 10 -0.064 15.473 -13.712 1.00 0.00 O ATOM 97 CB ASP A 10 0.315 18.248 -14.400 1.00 0.00 C ATOM 98 CG ASP A 10 -0.269 18.349 -13.005 1.00 0.00 C ATOM 99 OD1 ASP A 10 -1.127 17.511 -12.659 1.00 0.00 O ATOM 100 OD2 ASP A 10 0.132 19.267 -12.259 1.00 0.00 O ATOM 0 H ASP A 10 0.810 16.931 -16.487 1.00 0.00 H new ATOM 0 HA ASP A 10 2.349 17.615 -14.121 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.718 19.217 -14.693 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.479 18.006 -15.106 1.00 0.00 H new ATOM 105 N GLU A 11 2.010 15.524 -12.838 1.00 0.00 N ATOM 106 CA GLU A 11 1.791 14.371 -11.972 1.00 0.00 C ATOM 107 C GLU A 11 1.600 14.808 -10.522 1.00 0.00 C ATOM 108 O GLU A 11 2.108 14.172 -9.598 1.00 0.00 O ATOM 109 CB GLU A 11 2.968 13.399 -12.073 1.00 0.00 C ATOM 110 CG GLU A 11 2.798 12.349 -13.158 1.00 0.00 C ATOM 111 CD GLU A 11 2.810 12.943 -14.552 1.00 0.00 C ATOM 112 OE1 GLU A 11 1.804 13.574 -14.938 1.00 0.00 O ATOM 113 OE2 GLU A 11 3.827 12.779 -15.258 1.00 0.00 O ATOM 0 H GLU A 11 2.941 15.934 -12.768 1.00 0.00 H new ATOM 0 HA GLU A 11 0.883 13.867 -12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.880 13.964 -12.266 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.099 12.900 -11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.597 11.613 -13.074 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.859 11.819 -13.001 1.00 0.00 H new ATOM 120 N LYS A 12 0.866 15.899 -10.331 1.00 0.00 N ATOM 121 CA LYS A 12 0.607 16.423 -8.995 1.00 0.00 C ATOM 122 C LYS A 12 1.896 16.913 -8.343 1.00 0.00 C ATOM 123 O LYS A 12 2.222 16.556 -7.211 1.00 0.00 O ATOM 124 CB LYS A 12 -0.043 15.348 -8.121 1.00 0.00 C ATOM 125 CG LYS A 12 -0.937 15.911 -7.030 1.00 0.00 C ATOM 126 CD LYS A 12 -2.032 14.931 -6.645 1.00 0.00 C ATOM 127 CE LYS A 12 -2.972 15.524 -5.606 1.00 0.00 C ATOM 128 NZ LYS A 12 -2.400 15.448 -4.234 1.00 0.00 N ATOM 0 H LYS A 12 0.440 16.438 -11.085 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.075 17.268 -9.089 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.631 14.683 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.739 14.743 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.336 16.149 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.386 16.844 -7.372 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.599 14.651 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.583 14.019 -6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.180 16.564 -5.856 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.924 14.994 -5.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.806 16.204 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.626 14.524 -3.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.368 15.564 -4.281 1.00 0.00 H new ATOM 142 N PRO A 13 2.648 17.750 -9.073 1.00 0.00 N ATOM 143 CA PRO A 13 3.913 18.308 -8.584 1.00 0.00 C ATOM 144 C PRO A 13 3.705 19.318 -7.460 1.00 0.00 C ATOM 145 O PRO A 13 2.574 19.691 -7.148 1.00 0.00 O ATOM 146 CB PRO A 13 4.497 18.997 -9.820 1.00 0.00 C ATOM 147 CG PRO A 13 3.316 19.320 -10.668 1.00 0.00 C ATOM 148 CD PRO A 13 2.322 18.218 -10.430 1.00 0.00 C ATOM 0 HA PRO A 13 4.561 17.540 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.047 19.898 -9.548 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.194 18.344 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.896 20.289 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.594 19.374 -11.720 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.296 18.582 -10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.424 17.420 -11.165 1.00 0.00 H new ATOM 156 N LYS A 14 4.803 19.756 -6.854 1.00 0.00 N ATOM 157 CA LYS A 14 4.743 20.723 -5.765 1.00 0.00 C ATOM 158 C LYS A 14 3.586 20.409 -4.821 1.00 0.00 C ATOM 159 O LYS A 14 2.913 21.313 -4.328 1.00 0.00 O ATOM 160 CB LYS A 14 4.589 22.140 -6.322 1.00 0.00 C ATOM 161 CG LYS A 14 5.056 23.224 -5.366 1.00 0.00 C ATOM 162 CD LYS A 14 4.642 24.606 -5.844 1.00 0.00 C ATOM 163 CE LYS A 14 5.641 25.173 -6.840 1.00 0.00 C ATOM 164 NZ LYS A 14 5.278 26.554 -7.264 1.00 0.00 N ATOM 0 H LYS A 14 5.747 19.456 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 14 5.675 20.658 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.153 22.219 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.541 22.312 -6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.640 23.041 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.141 23.182 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.656 24.552 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.557 25.278 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.635 25.180 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.689 24.525 -7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.983 26.905 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.340 26.544 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.257 27.178 -6.432 1.00 0.00 H new ATOM 178 N GLU A 15 3.363 19.122 -4.574 1.00 0.00 N ATOM 179 CA GLU A 15 2.288 18.690 -3.689 1.00 0.00 C ATOM 180 C GLU A 15 2.839 17.878 -2.520 1.00 0.00 C ATOM 181 O GLU A 15 3.514 16.867 -2.716 1.00 0.00 O ATOM 182 CB GLU A 15 1.263 17.859 -4.463 1.00 0.00 C ATOM 183 CG GLU A 15 -0.142 17.938 -3.889 1.00 0.00 C ATOM 184 CD GLU A 15 -0.312 17.090 -2.643 1.00 0.00 C ATOM 185 OE1 GLU A 15 -0.332 15.847 -2.771 1.00 0.00 O ATOM 186 OE2 GLU A 15 -0.424 17.667 -1.542 1.00 0.00 O ATOM 0 H GLU A 15 3.912 18.361 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 15 1.799 19.580 -3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.243 18.196 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.585 16.818 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.376 18.976 -3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.858 17.614 -4.645 1.00 0.00 H new ATOM 193 N GLY A 16 2.547 18.328 -1.304 1.00 0.00 N ATOM 194 CA GLY A 16 3.020 17.632 -0.122 1.00 0.00 C ATOM 195 C GLY A 16 3.519 18.582 0.949 1.00 0.00 C ATOM 196 O GLY A 16 4.437 19.368 0.714 1.00 0.00 O ATOM 0 H GLY A 16 1.991 19.162 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.213 17.023 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.823 16.951 -0.402 1.00 0.00 H new ATOM 200 N VAL A 17 2.911 18.513 2.129 1.00 0.00 N ATOM 201 CA VAL A 17 3.298 19.374 3.241 1.00 0.00 C ATOM 202 C VAL A 17 4.496 18.801 3.989 1.00 0.00 C ATOM 203 O VAL A 17 4.702 17.587 4.017 1.00 0.00 O ATOM 204 CB VAL A 17 2.134 19.570 4.230 1.00 0.00 C ATOM 205 CG1 VAL A 17 0.954 20.238 3.541 1.00 0.00 C ATOM 206 CG2 VAL A 17 1.722 18.238 4.839 1.00 0.00 C ATOM 0 H VAL A 17 2.148 17.870 2.340 1.00 0.00 H new ATOM 0 HA VAL A 17 3.569 20.340 2.814 1.00 0.00 H new ATOM 0 HB VAL A 17 2.471 20.223 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.141 20.368 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.260 21.212 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.614 19.614 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.898 18.396 5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.404 17.559 4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.569 17.804 5.371 1.00 0.00 H new ATOM 216 N LYS A 18 5.284 19.682 4.595 1.00 0.00 N ATOM 217 CA LYS A 18 6.462 19.265 5.347 1.00 0.00 C ATOM 218 C LYS A 18 6.242 19.443 6.846 1.00 0.00 C ATOM 219 O LYS A 18 6.546 20.496 7.408 1.00 0.00 O ATOM 220 CB LYS A 18 7.687 20.067 4.901 1.00 0.00 C ATOM 221 CG LYS A 18 7.974 19.962 3.413 1.00 0.00 C ATOM 222 CD LYS A 18 8.877 18.780 3.102 1.00 0.00 C ATOM 223 CE LYS A 18 10.325 19.075 3.461 1.00 0.00 C ATOM 224 NZ LYS A 18 11.153 17.837 3.491 1.00 0.00 N ATOM 0 H LYS A 18 5.128 20.690 4.580 1.00 0.00 H new ATOM 0 HA LYS A 18 6.635 18.208 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.539 21.115 5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.559 19.721 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.036 19.858 2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.445 20.882 3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.535 17.905 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.806 18.536 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.743 19.774 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.365 19.563 4.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.133 18.081 3.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.769 17.180 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.136 17.385 2.555 1.00 0.00 H new ATOM 238 N THR A 19 5.715 18.406 7.489 1.00 0.00 N ATOM 239 CA THR A 19 5.455 18.448 8.923 1.00 0.00 C ATOM 240 C THR A 19 5.802 17.119 9.584 1.00 0.00 C ATOM 241 O THR A 19 5.206 16.088 9.275 1.00 0.00 O ATOM 242 CB THR A 19 3.981 18.785 9.217 1.00 0.00 C ATOM 243 OG1 THR A 19 3.122 17.867 8.532 1.00 0.00 O ATOM 244 CG2 THR A 19 3.655 20.208 8.789 1.00 0.00 C ATOM 0 H THR A 19 5.460 17.527 7.040 1.00 0.00 H new ATOM 0 HA THR A 19 6.089 19.233 9.336 1.00 0.00 H new ATOM 0 HB THR A 19 3.820 18.700 10.292 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.529 16.976 8.532 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.609 20.423 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.290 20.906 9.334 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.833 20.316 7.719 1.00 0.00 H new ATOM 252 N GLU A 20 6.770 17.151 10.494 1.00 0.00 N ATOM 253 CA GLU A 20 7.196 15.947 11.198 1.00 0.00 C ATOM 254 C GLU A 20 7.128 16.148 12.709 1.00 0.00 C ATOM 255 O GLU A 20 8.090 16.597 13.330 1.00 0.00 O ATOM 256 CB GLU A 20 8.620 15.565 10.787 1.00 0.00 C ATOM 257 CG GLU A 20 8.936 14.092 10.984 1.00 0.00 C ATOM 258 CD GLU A 20 10.099 13.626 10.131 1.00 0.00 C ATOM 259 OE1 GLU A 20 10.930 14.476 9.745 1.00 0.00 O ATOM 260 OE2 GLU A 20 10.180 12.413 9.848 1.00 0.00 O ATOM 0 H GLU A 20 7.274 17.997 10.761 1.00 0.00 H new ATOM 0 HA GLU A 20 6.518 15.139 10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.768 15.823 9.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.328 16.160 11.364 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.165 13.911 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.053 13.500 10.743 1.00 0.00 H new ATOM 267 N ASN A 21 5.983 15.811 13.294 1.00 0.00 N ATOM 268 CA ASN A 21 5.788 15.955 14.732 1.00 0.00 C ATOM 269 C ASN A 21 6.196 14.681 15.467 1.00 0.00 C ATOM 270 O ASN A 21 7.021 14.715 16.378 1.00 0.00 O ATOM 271 CB ASN A 21 4.327 16.289 15.039 1.00 0.00 C ATOM 272 CG ASN A 21 4.062 17.782 15.036 1.00 0.00 C ATOM 273 OD1 ASN A 21 4.519 18.506 15.921 1.00 0.00 O ATOM 274 ND2 ASN A 21 3.321 18.250 14.038 1.00 0.00 N ATOM 0 H ASN A 21 5.176 15.436 12.794 1.00 0.00 H new ATOM 0 HA ASN A 21 6.421 16.772 15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.684 15.807 14.302 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.060 15.877 16.012 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.110 19.246 13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.963 17.613 13.326 1.00 0.00 H new ATOM 281 N ASN A 22 5.610 13.559 15.062 1.00 0.00 N ATOM 282 CA ASN A 22 5.912 12.273 15.682 1.00 0.00 C ATOM 283 C ASN A 22 6.820 11.437 14.785 1.00 0.00 C ATOM 284 O ASN A 22 7.024 11.762 13.616 1.00 0.00 O ATOM 285 CB ASN A 22 4.619 11.508 15.973 1.00 0.00 C ATOM 286 CG ASN A 22 4.880 10.134 16.560 1.00 0.00 C ATOM 287 OD1 ASN A 22 4.991 9.147 15.833 1.00 0.00 O ATOM 288 ND2 ASN A 22 4.980 10.066 17.882 1.00 0.00 N ATOM 0 H ASN A 22 4.924 13.514 14.308 1.00 0.00 H new ATOM 0 HA ASN A 22 6.433 12.463 16.620 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.006 12.085 16.665 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.046 11.404 15.051 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.156 9.169 18.335 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.881 10.911 18.445 1.00 0.00 H new ATOM 295 N ASP A 23 7.362 10.360 15.342 1.00 0.00 N ATOM 296 CA ASP A 23 8.247 9.475 14.593 1.00 0.00 C ATOM 297 C ASP A 23 7.444 8.484 13.756 1.00 0.00 C ATOM 298 O ASP A 23 6.545 7.813 14.263 1.00 0.00 O ATOM 299 CB ASP A 23 9.176 8.722 15.546 1.00 0.00 C ATOM 300 CG ASP A 23 10.389 9.542 15.941 1.00 0.00 C ATOM 301 OD1 ASP A 23 11.027 10.129 15.042 1.00 0.00 O ATOM 302 OD2 ASP A 23 10.700 9.596 17.149 1.00 0.00 O ATOM 0 H ASP A 23 7.204 10.078 16.310 1.00 0.00 H new ATOM 0 HA ASP A 23 8.848 10.087 13.920 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.623 8.442 16.442 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.505 7.797 15.073 1.00 0.00 H new ATOM 307 N HIS A 24 7.775 8.398 12.471 1.00 0.00 N ATOM 308 CA HIS A 24 7.085 7.489 11.563 1.00 0.00 C ATOM 309 C HIS A 24 7.990 6.328 11.165 1.00 0.00 C ATOM 310 O HIS A 24 9.187 6.334 11.453 1.00 0.00 O ATOM 311 CB HIS A 24 6.618 8.239 10.315 1.00 0.00 C ATOM 312 CG HIS A 24 6.095 9.613 10.602 1.00 0.00 C ATOM 313 ND1 HIS A 24 4.765 9.953 10.476 1.00 0.00 N ATOM 314 CD2 HIS A 24 6.732 10.734 11.012 1.00 0.00 C ATOM 315 CE1 HIS A 24 4.606 11.226 10.795 1.00 0.00 C ATOM 316 NE2 HIS A 24 5.785 11.722 11.125 1.00 0.00 N ATOM 0 H HIS A 24 8.516 8.947 12.036 1.00 0.00 H new ATOM 0 HA HIS A 24 6.215 7.086 12.082 1.00 0.00 H new ATOM 0 HB2 HIS A 24 7.450 8.315 9.614 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.838 7.658 9.823 1.00 0.00 H new ATOM 0 HD2 HIS A 24 7.788 10.833 11.213 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.672 11.768 10.787 1.00 0.00 H new ATOM 0 HE2 HIS A 24 5.963 12.683 11.417 1.00 0.00 H new ATOM 325 N ILE A 25 7.411 5.333 10.502 1.00 0.00 N ATOM 326 CA ILE A 25 8.165 4.165 10.064 1.00 0.00 C ATOM 327 C ILE A 25 8.030 3.955 8.560 1.00 0.00 C ATOM 328 O ILE A 25 6.978 4.220 7.978 1.00 0.00 O ATOM 329 CB ILE A 25 7.703 2.890 10.793 1.00 0.00 C ATOM 330 CG1 ILE A 25 6.250 2.570 10.435 1.00 0.00 C ATOM 331 CG2 ILE A 25 7.860 3.053 12.297 1.00 0.00 C ATOM 332 CD1 ILE A 25 5.738 1.296 11.069 1.00 0.00 C ATOM 0 H ILE A 25 6.421 5.312 10.256 1.00 0.00 H new ATOM 0 HA ILE A 25 9.210 4.355 10.309 1.00 0.00 H new ATOM 0 HB ILE A 25 8.329 2.058 10.471 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.616 3.401 10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.161 2.489 9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.529 2.143 12.798 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.907 3.238 12.536 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.256 3.894 12.637 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.702 1.132 10.772 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.348 0.455 10.739 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.795 1.381 12.154 1.00 0.00 H new ATOM 344 N ASN A 26 9.101 3.476 7.935 1.00 0.00 N ATOM 345 CA ASN A 26 9.101 3.228 6.498 1.00 0.00 C ATOM 346 C ASN A 26 9.164 1.732 6.204 1.00 0.00 C ATOM 347 O ASN A 26 10.004 1.016 6.749 1.00 0.00 O ATOM 348 CB ASN A 26 10.283 3.940 5.837 1.00 0.00 C ATOM 349 CG ASN A 26 10.342 5.413 6.190 1.00 0.00 C ATOM 350 OD1 ASN A 26 9.429 6.176 5.872 1.00 0.00 O ATOM 351 ND2 ASN A 26 11.419 5.821 6.850 1.00 0.00 N ATOM 0 H ASN A 26 9.980 3.252 8.401 1.00 0.00 H new ATOM 0 HA ASN A 26 8.172 3.622 6.086 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.211 3.458 6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.210 3.831 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.514 6.802 7.114 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.151 5.154 7.093 1.00 0.00 H new ATOM 358 N LEU A 27 8.270 1.268 5.338 1.00 0.00 N ATOM 359 CA LEU A 27 8.223 -0.143 4.970 1.00 0.00 C ATOM 360 C LEU A 27 8.518 -0.328 3.485 1.00 0.00 C ATOM 361 O LEU A 27 7.922 0.333 2.635 1.00 0.00 O ATOM 362 CB LEU A 27 6.853 -0.734 5.306 1.00 0.00 C ATOM 363 CG LEU A 27 6.200 -0.224 6.591 1.00 0.00 C ATOM 364 CD1 LEU A 27 4.806 -0.811 6.751 1.00 0.00 C ATOM 365 CD2 LEU A 27 7.064 -0.559 7.798 1.00 0.00 C ATOM 0 H LEU A 27 7.568 1.848 4.878 1.00 0.00 H new ATOM 0 HA LEU A 27 8.988 -0.667 5.543 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.178 -0.532 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.954 -1.817 5.378 1.00 0.00 H new ATOM 0 HG LEU A 27 6.110 0.860 6.524 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.357 -0.437 7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.189 -0.520 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.872 -1.898 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.584 -0.188 8.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.187 -1.640 7.869 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.041 -0.089 7.688 1.00 0.00 H new ATOM 377 N LYS A 28 9.442 -1.233 3.178 1.00 0.00 N ATOM 378 CA LYS A 28 9.815 -1.509 1.796 1.00 0.00 C ATOM 379 C LYS A 28 8.962 -2.633 1.216 1.00 0.00 C ATOM 380 O LYS A 28 9.082 -3.789 1.622 1.00 0.00 O ATOM 381 CB LYS A 28 11.297 -1.883 1.711 1.00 0.00 C ATOM 382 CG LYS A 28 12.234 -0.709 1.934 1.00 0.00 C ATOM 383 CD LYS A 28 13.630 -1.174 2.313 1.00 0.00 C ATOM 384 CE LYS A 28 13.757 -1.387 3.814 1.00 0.00 C ATOM 385 NZ LYS A 28 14.990 -2.145 4.164 1.00 0.00 N ATOM 0 H LYS A 28 9.947 -1.788 3.869 1.00 0.00 H new ATOM 0 HA LYS A 28 9.640 -0.606 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.512 -2.654 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.498 -2.317 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.284 -0.105 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.836 -0.069 2.722 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.859 -2.103 1.792 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.362 -0.436 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.769 -0.421 4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.883 -1.926 4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.040 -2.269 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.967 -3.077 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.825 -1.618 3.838 1.00 0.00 H new ATOM 399 N VAL A 29 8.102 -2.286 0.264 1.00 0.00 N ATOM 400 CA VAL A 29 7.231 -3.266 -0.373 1.00 0.00 C ATOM 401 C VAL A 29 7.894 -3.872 -1.604 1.00 0.00 C ATOM 402 O VAL A 29 8.288 -3.158 -2.525 1.00 0.00 O ATOM 403 CB VAL A 29 5.886 -2.638 -0.785 1.00 0.00 C ATOM 404 CG1 VAL A 29 4.949 -3.699 -1.341 1.00 0.00 C ATOM 405 CG2 VAL A 29 5.250 -1.919 0.395 1.00 0.00 C ATOM 0 H VAL A 29 7.990 -1.333 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 29 7.048 -4.051 0.361 1.00 0.00 H new ATOM 0 HB VAL A 29 6.073 -1.905 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.004 -3.236 -1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.404 -4.164 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.766 -4.458 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.301 -1.481 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.076 -2.629 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.917 -1.130 0.743 1.00 0.00 H new ATOM 415 N ALA A 30 8.014 -5.196 -1.613 1.00 0.00 N ATOM 416 CA ALA A 30 8.628 -5.900 -2.733 1.00 0.00 C ATOM 417 C ALA A 30 7.577 -6.619 -3.571 1.00 0.00 C ATOM 418 O ALA A 30 6.668 -7.252 -3.036 1.00 0.00 O ATOM 419 CB ALA A 30 9.670 -6.887 -2.228 1.00 0.00 C ATOM 0 H ALA A 30 7.694 -5.802 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 30 9.120 -5.163 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 30 10.120 -7.406 -3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.443 -6.350 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.194 -7.613 -1.569 1.00 0.00 H new ATOM 425 N GLY A 31 7.707 -6.517 -4.891 1.00 0.00 N ATOM 426 CA GLY A 31 6.761 -7.163 -5.782 1.00 0.00 C ATOM 427 C GLY A 31 7.392 -7.575 -7.097 1.00 0.00 C ATOM 428 O GLY A 31 8.552 -7.260 -7.361 1.00 0.00 O ATOM 0 H GLY A 31 8.451 -5.999 -5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.346 -8.043 -5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.930 -6.485 -5.978 1.00 0.00 H new ATOM 432 N GLN A 32 6.628 -8.283 -7.922 1.00 0.00 N ATOM 433 CA GLN A 32 7.121 -8.741 -9.216 1.00 0.00 C ATOM 434 C GLN A 32 6.967 -7.652 -10.273 1.00 0.00 C ATOM 435 O GLN A 32 6.467 -7.904 -11.370 1.00 0.00 O ATOM 436 CB GLN A 32 6.373 -10.002 -9.653 1.00 0.00 C ATOM 437 CG GLN A 32 4.873 -9.801 -9.795 1.00 0.00 C ATOM 438 CD GLN A 32 4.096 -11.097 -9.670 1.00 0.00 C ATOM 439 OE1 GLN A 32 3.983 -11.664 -8.582 1.00 0.00 O ATOM 440 NE2 GLN A 32 3.556 -11.574 -10.785 1.00 0.00 N ATOM 0 H GLN A 32 5.666 -8.552 -7.718 1.00 0.00 H new ATOM 0 HA GLN A 32 8.181 -8.974 -9.112 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.777 -10.342 -10.606 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.558 -10.794 -8.927 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.530 -9.101 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.661 -9.347 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.675 -11.071 -11.665 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.022 -12.443 -10.762 1.00 0.00 H new ATOM 449 N ASP A 33 7.399 -6.442 -9.937 1.00 0.00 N ATOM 450 CA ASP A 33 7.311 -5.315 -10.857 1.00 0.00 C ATOM 451 C ASP A 33 8.700 -4.860 -11.295 1.00 0.00 C ATOM 452 O ASP A 33 8.911 -4.503 -12.453 1.00 0.00 O ATOM 453 CB ASP A 33 6.562 -4.152 -10.204 1.00 0.00 C ATOM 454 CG ASP A 33 7.314 -3.570 -9.023 1.00 0.00 C ATOM 455 OD1 ASP A 33 7.441 -4.270 -7.997 1.00 0.00 O ATOM 456 OD2 ASP A 33 7.775 -2.414 -9.125 1.00 0.00 O ATOM 0 H ASP A 33 7.814 -6.216 -9.033 1.00 0.00 H new ATOM 0 HA ASP A 33 6.761 -5.641 -11.739 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.394 -3.370 -10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.581 -4.495 -9.874 1.00 0.00 H new ATOM 461 N GLY A 34 9.644 -4.874 -10.358 1.00 0.00 N ATOM 462 CA GLY A 34 11.000 -4.459 -10.666 1.00 0.00 C ATOM 463 C GLY A 34 11.349 -3.118 -10.053 1.00 0.00 C ATOM 464 O GLY A 34 12.120 -2.348 -10.626 1.00 0.00 O ATOM 0 H GLY A 34 9.494 -5.165 -9.392 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.699 -5.213 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.123 -4.404 -11.748 1.00 0.00 H new ATOM 468 N SER A 35 10.780 -2.836 -8.886 1.00 0.00 N ATOM 469 CA SER A 35 11.031 -1.575 -8.197 1.00 0.00 C ATOM 470 C SER A 35 10.453 -1.602 -6.786 1.00 0.00 C ATOM 471 O SER A 35 9.262 -1.847 -6.595 1.00 0.00 O ATOM 472 CB SER A 35 10.428 -0.410 -8.985 1.00 0.00 C ATOM 473 OG SER A 35 10.397 0.772 -8.204 1.00 0.00 O ATOM 0 H SER A 35 10.142 -3.464 -8.397 1.00 0.00 H new ATOM 0 HA SER A 35 12.110 -1.437 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.012 -0.237 -9.889 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.417 -0.666 -9.303 1.00 0.00 H new ATOM 0 HG SER A 35 10.009 1.502 -8.730 1.00 0.00 H new ATOM 479 N VAL A 36 11.306 -1.349 -5.798 1.00 0.00 N ATOM 480 CA VAL A 36 10.881 -1.343 -4.403 1.00 0.00 C ATOM 481 C VAL A 36 10.138 -0.056 -4.061 1.00 0.00 C ATOM 482 O VAL A 36 10.654 1.043 -4.261 1.00 0.00 O ATOM 483 CB VAL A 36 12.082 -1.499 -3.451 1.00 0.00 C ATOM 484 CG1 VAL A 36 11.629 -1.401 -2.002 1.00 0.00 C ATOM 485 CG2 VAL A 36 12.797 -2.816 -3.707 1.00 0.00 C ATOM 0 H VAL A 36 12.296 -1.145 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 36 10.210 -2.192 -4.272 1.00 0.00 H new ATOM 0 HB VAL A 36 12.785 -0.688 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.490 -1.513 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.165 -0.430 -1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.907 -2.190 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.643 -2.909 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 36 12.106 -3.643 -3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.156 -2.841 -4.736 1.00 0.00 H new ATOM 495 N VAL A 37 8.923 -0.202 -3.543 1.00 0.00 N ATOM 496 CA VAL A 37 8.108 0.948 -3.170 1.00 0.00 C ATOM 497 C VAL A 37 8.052 1.115 -1.656 1.00 0.00 C ATOM 498 O VAL A 37 7.648 0.202 -0.936 1.00 0.00 O ATOM 499 CB VAL A 37 6.673 0.820 -3.715 1.00 0.00 C ATOM 500 CG1 VAL A 37 5.883 2.092 -3.445 1.00 0.00 C ATOM 501 CG2 VAL A 37 6.695 0.501 -5.202 1.00 0.00 C ATOM 0 H VAL A 37 8.481 -1.105 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 37 8.579 1.826 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 37 6.178 -0.002 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.872 1.983 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.838 2.271 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.372 2.935 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.673 0.414 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.207 1.300 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.221 -0.440 -5.365 1.00 0.00 H new ATOM 511 N GLN A 38 8.460 2.287 -1.179 1.00 0.00 N ATOM 512 CA GLN A 38 8.456 2.572 0.251 1.00 0.00 C ATOM 513 C GLN A 38 7.227 3.387 0.640 1.00 0.00 C ATOM 514 O GLN A 38 6.591 4.013 -0.208 1.00 0.00 O ATOM 515 CB GLN A 38 9.728 3.326 0.645 1.00 0.00 C ATOM 516 CG GLN A 38 10.926 2.418 0.873 1.00 0.00 C ATOM 517 CD GLN A 38 12.220 3.191 1.040 1.00 0.00 C ATOM 518 OE1 GLN A 38 12.801 3.669 0.066 1.00 0.00 O ATOM 519 NE2 GLN A 38 12.678 3.318 2.280 1.00 0.00 N ATOM 0 H GLN A 38 8.797 3.054 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 38 8.424 1.623 0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.971 4.045 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.536 3.896 1.554 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.753 1.810 1.761 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.023 1.732 0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.164 2.905 3.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.544 3.828 2.454 1.00 0.00 H new ATOM 528 N PHE A 39 6.899 3.375 1.927 1.00 0.00 N ATOM 529 CA PHE A 39 5.745 4.113 2.429 1.00 0.00 C ATOM 530 C PHE A 39 5.987 4.596 3.856 1.00 0.00 C ATOM 531 O PHE A 39 6.440 3.837 4.713 1.00 0.00 O ATOM 532 CB PHE A 39 4.492 3.235 2.381 1.00 0.00 C ATOM 533 CG PHE A 39 4.078 2.858 0.987 1.00 0.00 C ATOM 534 CD1 PHE A 39 4.679 1.792 0.336 1.00 0.00 C ATOM 535 CD2 PHE A 39 3.087 3.567 0.329 1.00 0.00 C ATOM 536 CE1 PHE A 39 4.300 1.444 -0.946 1.00 0.00 C ATOM 537 CE2 PHE A 39 2.703 3.223 -0.953 1.00 0.00 C ATOM 538 CZ PHE A 39 3.310 2.159 -1.591 1.00 0.00 C ATOM 0 H PHE A 39 7.415 2.863 2.642 1.00 0.00 H new ATOM 0 HA PHE A 39 5.595 4.983 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.672 2.327 2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.670 3.762 2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.452 1.227 0.836 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.608 4.399 0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.778 0.613 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.930 3.785 -1.455 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.011 1.887 -2.592 1.00 0.00 H new ATOM 548 N LYS A 40 5.681 5.865 4.104 1.00 0.00 N ATOM 549 CA LYS A 40 5.864 6.452 5.426 1.00 0.00 C ATOM 550 C LYS A 40 4.518 6.756 6.077 1.00 0.00 C ATOM 551 O LYS A 40 3.786 7.638 5.627 1.00 0.00 O ATOM 552 CB LYS A 40 6.695 7.733 5.327 1.00 0.00 C ATOM 553 CG LYS A 40 7.120 8.288 6.676 1.00 0.00 C ATOM 554 CD LYS A 40 7.581 9.732 6.565 1.00 0.00 C ATOM 555 CE LYS A 40 9.045 9.820 6.161 1.00 0.00 C ATOM 556 NZ LYS A 40 9.567 11.211 6.268 1.00 0.00 N ATOM 0 H LYS A 40 5.305 6.507 3.406 1.00 0.00 H new ATOM 0 HA LYS A 40 6.394 5.730 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.584 7.534 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.118 8.491 4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.287 8.224 7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.926 7.678 7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.968 10.255 5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.435 10.236 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.637 9.160 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.161 9.466 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.567 11.229 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.019 11.837 5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.480 11.540 7.251 1.00 0.00 H new ATOM 570 N ILE A 41 4.200 6.021 7.137 1.00 0.00 N ATOM 571 CA ILE A 41 2.943 6.215 7.850 1.00 0.00 C ATOM 572 C ILE A 41 3.169 6.268 9.357 1.00 0.00 C ATOM 573 O ILE A 41 4.292 6.100 9.835 1.00 0.00 O ATOM 574 CB ILE A 41 1.937 5.093 7.533 1.00 0.00 C ATOM 575 CG1 ILE A 41 2.305 3.817 8.294 1.00 0.00 C ATOM 576 CG2 ILE A 41 1.894 4.829 6.035 1.00 0.00 C ATOM 577 CD1 ILE A 41 1.284 2.711 8.148 1.00 0.00 C ATOM 0 H ILE A 41 4.794 5.286 7.521 1.00 0.00 H new ATOM 0 HA ILE A 41 2.532 7.166 7.512 1.00 0.00 H new ATOM 0 HB ILE A 41 0.946 5.412 7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.271 3.458 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.422 4.055 9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.179 4.034 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.590 5.737 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.883 4.527 5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.610 1.838 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.321 3.052 8.530 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.184 2.445 7.096 1.00 0.00 H new ATOM 589 N LYS A 42 2.095 6.501 10.103 1.00 0.00 N ATOM 590 CA LYS A 42 2.174 6.573 11.558 1.00 0.00 C ATOM 591 C LYS A 42 1.942 5.202 12.184 1.00 0.00 C ATOM 592 O LYS A 42 1.302 4.336 11.586 1.00 0.00 O ATOM 593 CB LYS A 42 1.146 7.571 12.095 1.00 0.00 C ATOM 594 CG LYS A 42 1.083 8.866 11.304 1.00 0.00 C ATOM 595 CD LYS A 42 -0.110 9.713 11.713 1.00 0.00 C ATOM 596 CE LYS A 42 -0.403 10.796 10.687 1.00 0.00 C ATOM 597 NZ LYS A 42 0.354 12.047 10.968 1.00 0.00 N ATOM 0 H LYS A 42 1.159 6.643 9.724 1.00 0.00 H new ATOM 0 HA LYS A 42 3.175 6.911 11.827 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.161 7.104 12.089 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.384 7.801 13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.002 9.432 11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.022 8.640 10.239 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.986 9.076 11.831 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.084 10.172 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.146 10.432 9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.471 11.012 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.126 12.760 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.091 12.409 11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.374 11.847 10.948 1.00 0.00 H new ATOM 611 N ARG A 43 2.465 5.012 13.391 1.00 0.00 N ATOM 612 CA ARG A 43 2.315 3.745 14.098 1.00 0.00 C ATOM 613 C ARG A 43 0.850 3.482 14.435 1.00 0.00 C ATOM 614 O ARG A 43 0.423 2.331 14.534 1.00 0.00 O ATOM 615 CB ARG A 43 3.151 3.749 15.378 1.00 0.00 C ATOM 616 CG ARG A 43 2.818 4.895 16.320 1.00 0.00 C ATOM 617 CD ARG A 43 3.987 5.223 17.235 1.00 0.00 C ATOM 618 NE ARG A 43 3.964 4.428 18.460 1.00 0.00 N ATOM 619 CZ ARG A 43 4.751 4.663 19.504 1.00 0.00 C ATOM 620 NH1 ARG A 43 5.618 5.665 19.472 1.00 0.00 N ATOM 621 NH2 ARG A 43 4.670 3.895 20.583 1.00 0.00 N ATOM 0 H ARG A 43 2.996 5.719 13.900 1.00 0.00 H new ATOM 0 HA ARG A 43 2.669 2.948 13.444 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.003 2.805 15.902 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.207 3.804 15.112 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.550 5.778 15.740 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.947 4.632 16.921 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.923 5.045 16.705 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.961 6.282 17.490 1.00 0.00 H new ATOM 0 HE ARG A 43 3.307 3.649 18.517 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.682 6.258 18.644 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.221 5.843 20.275 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.003 3.124 20.611 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.275 4.076 21.384 1.00 0.00 H new ATOM 635 N HIS A 44 0.086 4.555 14.610 1.00 0.00 N ATOM 636 CA HIS A 44 -1.331 4.440 14.936 1.00 0.00 C ATOM 637 C HIS A 44 -2.186 4.508 13.674 1.00 0.00 C ATOM 638 O HIS A 44 -3.403 4.327 13.725 1.00 0.00 O ATOM 639 CB HIS A 44 -1.744 5.546 15.907 1.00 0.00 C ATOM 640 CG HIS A 44 -2.129 6.825 15.229 1.00 0.00 C ATOM 641 ND1 HIS A 44 -3.290 6.970 14.499 1.00 0.00 N ATOM 642 CD2 HIS A 44 -1.500 8.022 15.175 1.00 0.00 C ATOM 643 CE1 HIS A 44 -3.357 8.201 14.023 1.00 0.00 C ATOM 644 NE2 HIS A 44 -2.284 8.860 14.420 1.00 0.00 N ATOM 0 H HIS A 44 0.424 5.514 14.532 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.492 3.472 15.411 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.583 5.196 16.508 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.920 5.742 16.593 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.988 6.241 14.350 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.557 8.272 15.639 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.154 8.600 13.413 1.00 0.00 H new ATOM 653 N THR A 45 -1.542 4.771 12.542 1.00 0.00 N ATOM 654 CA THR A 45 -2.243 4.865 11.268 1.00 0.00 C ATOM 655 C THR A 45 -2.446 3.487 10.648 1.00 0.00 C ATOM 656 O THR A 45 -1.514 2.693 10.524 1.00 0.00 O ATOM 657 CB THR A 45 -1.478 5.756 10.270 1.00 0.00 C ATOM 658 OG1 THR A 45 -1.584 7.130 10.660 1.00 0.00 O ATOM 659 CG2 THR A 45 -2.022 5.580 8.861 1.00 0.00 C ATOM 0 H THR A 45 -0.535 4.923 12.481 1.00 0.00 H new ATOM 0 HA THR A 45 -3.214 5.314 11.475 1.00 0.00 H new ATOM 0 HB THR A 45 -0.430 5.456 10.278 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.094 7.690 10.022 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.467 6.219 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.914 4.539 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 45 -3.076 5.856 8.841 1.00 0.00 H new ATOM 667 N PRO A 46 -3.692 3.195 10.249 1.00 0.00 N ATOM 668 CA PRO A 46 -4.046 1.912 9.635 1.00 0.00 C ATOM 669 C PRO A 46 -3.457 1.757 8.237 1.00 0.00 C ATOM 670 O PRO A 46 -3.528 2.673 7.417 1.00 0.00 O ATOM 671 CB PRO A 46 -5.575 1.960 9.569 1.00 0.00 C ATOM 672 CG PRO A 46 -5.907 3.412 9.541 1.00 0.00 C ATOM 673 CD PRO A 46 -4.852 4.094 10.367 1.00 0.00 C ATOM 0 HA PRO A 46 -3.657 1.067 10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.949 1.451 8.681 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.024 1.468 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.909 3.792 8.519 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.901 3.593 9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.628 5.091 9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.166 4.210 11.404 1.00 0.00 H new ATOM 681 N LEU A 47 -2.876 0.592 7.970 1.00 0.00 N ATOM 682 CA LEU A 47 -2.275 0.316 6.670 1.00 0.00 C ATOM 683 C LEU A 47 -3.217 0.717 5.539 1.00 0.00 C ATOM 684 O LEU A 47 -2.777 1.014 4.428 1.00 0.00 O ATOM 685 CB LEU A 47 -1.922 -1.167 6.554 1.00 0.00 C ATOM 686 CG LEU A 47 -0.992 -1.723 7.633 1.00 0.00 C ATOM 687 CD1 LEU A 47 -0.762 -3.212 7.425 1.00 0.00 C ATOM 688 CD2 LEU A 47 0.332 -0.972 7.633 1.00 0.00 C ATOM 0 H LEU A 47 -2.809 -0.177 8.637 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.363 0.907 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.848 -1.742 6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.458 -1.334 5.582 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.468 -1.582 8.604 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.098 -3.590 8.202 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.715 -3.738 7.475 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.308 -3.377 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.982 -1.380 8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.812 -1.081 6.661 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.151 0.084 7.831 1.00 0.00 H new ATOM 700 N SER A 48 -4.513 0.726 5.830 1.00 0.00 N ATOM 701 CA SER A 48 -5.517 1.089 4.837 1.00 0.00 C ATOM 702 C SER A 48 -4.987 2.168 3.898 1.00 0.00 C ATOM 703 O SER A 48 -4.995 2.005 2.678 1.00 0.00 O ATOM 704 CB SER A 48 -6.793 1.579 5.526 1.00 0.00 C ATOM 705 OG SER A 48 -6.683 2.943 5.893 1.00 0.00 O ATOM 0 H SER A 48 -4.893 0.486 6.746 1.00 0.00 H new ATOM 0 HA SER A 48 -5.748 0.201 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.644 1.446 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.986 0.975 6.413 1.00 0.00 H new ATOM 0 HG SER A 48 -7.511 3.232 6.330 1.00 0.00 H new ATOM 711 N LYS A 49 -4.527 3.273 4.476 1.00 0.00 N ATOM 712 CA LYS A 49 -3.991 4.380 3.693 1.00 0.00 C ATOM 713 C LYS A 49 -2.781 3.935 2.878 1.00 0.00 C ATOM 714 O LYS A 49 -2.619 4.329 1.722 1.00 0.00 O ATOM 715 CB LYS A 49 -3.601 5.540 4.613 1.00 0.00 C ATOM 716 CG LYS A 49 -4.788 6.336 5.124 1.00 0.00 C ATOM 717 CD LYS A 49 -4.361 7.693 5.658 1.00 0.00 C ATOM 718 CE LYS A 49 -4.161 8.696 4.532 1.00 0.00 C ATOM 719 NZ LYS A 49 -5.449 9.302 4.093 1.00 0.00 N ATOM 0 H LYS A 49 -4.515 3.425 5.484 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.767 4.715 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.045 5.147 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.930 6.209 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.510 6.472 4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.291 5.776 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.115 8.067 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.434 7.588 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.484 9.483 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.685 8.201 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.270 9.980 3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.087 8.554 3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.891 9.796 4.894 1.00 0.00 H new ATOM 733 N LEU A 50 -1.935 3.111 3.486 1.00 0.00 N ATOM 734 CA LEU A 50 -0.740 2.610 2.815 1.00 0.00 C ATOM 735 C LEU A 50 -1.110 1.777 1.592 1.00 0.00 C ATOM 736 O LEU A 50 -0.681 2.070 0.477 1.00 0.00 O ATOM 737 CB LEU A 50 0.098 1.772 3.782 1.00 0.00 C ATOM 738 CG LEU A 50 0.929 0.652 3.154 1.00 0.00 C ATOM 739 CD1 LEU A 50 1.824 1.203 2.055 1.00 0.00 C ATOM 740 CD2 LEU A 50 1.758 -0.057 4.215 1.00 0.00 C ATOM 0 H LEU A 50 -2.054 2.776 4.442 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.154 3.467 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.772 2.439 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.570 1.330 4.521 1.00 0.00 H new ATOM 0 HG LEU A 50 0.248 -0.074 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.408 0.392 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.209 1.663 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.498 1.950 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.343 -0.851 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.430 0.658 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.096 -0.487 4.967 1.00 0.00 H new ATOM 752 N MET A 51 -1.911 0.740 1.810 1.00 0.00 N ATOM 753 CA MET A 51 -2.343 -0.134 0.724 1.00 0.00 C ATOM 754 C MET A 51 -2.974 0.674 -0.405 1.00 0.00 C ATOM 755 O MET A 51 -2.625 0.506 -1.573 1.00 0.00 O ATOM 756 CB MET A 51 -3.338 -1.173 1.242 1.00 0.00 C ATOM 757 CG MET A 51 -2.805 -2.002 2.400 1.00 0.00 C ATOM 758 SD MET A 51 -4.107 -2.547 3.521 1.00 0.00 S ATOM 759 CE MET A 51 -3.434 -4.107 4.088 1.00 0.00 C ATOM 0 H MET A 51 -2.274 0.484 2.728 1.00 0.00 H new ATOM 0 HA MET A 51 -1.465 -0.647 0.332 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.249 -0.665 1.559 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.613 -1.840 0.425 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.281 -2.873 2.007 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.074 -1.415 2.956 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.901 -4.925 3.540 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.358 -4.123 3.916 1.00 0.00 H new ATOM 0 HE3 MET A 51 -3.633 -4.224 5.153 1.00 0.00 H new ATOM 769 N LYS A 52 -3.907 1.551 -0.049 1.00 0.00 N ATOM 770 CA LYS A 52 -4.587 2.387 -1.031 1.00 0.00 C ATOM 771 C LYS A 52 -3.581 3.136 -1.899 1.00 0.00 C ATOM 772 O LYS A 52 -3.684 3.136 -3.125 1.00 0.00 O ATOM 773 CB LYS A 52 -5.513 3.383 -0.330 1.00 0.00 C ATOM 774 CG LYS A 52 -6.918 2.851 -0.102 1.00 0.00 C ATOM 775 CD LYS A 52 -7.940 3.975 -0.058 1.00 0.00 C ATOM 776 CE LYS A 52 -9.319 3.491 -0.479 1.00 0.00 C ATOM 777 NZ LYS A 52 -10.329 4.584 -0.430 1.00 0.00 N ATOM 0 H LYS A 52 -4.210 1.701 0.913 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.182 1.738 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.077 3.657 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.571 4.294 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.177 2.153 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.949 2.293 0.834 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.989 4.384 0.951 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.621 4.784 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.269 3.088 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.633 2.677 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.255 4.214 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.395 4.952 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.043 5.350 -1.072 1.00 0.00 H new ATOM 791 N ALA A 53 -2.608 3.771 -1.254 1.00 0.00 N ATOM 792 CA ALA A 53 -1.581 4.521 -1.968 1.00 0.00 C ATOM 793 C ALA A 53 -0.751 3.603 -2.858 1.00 0.00 C ATOM 794 O ALA A 53 -0.206 4.034 -3.874 1.00 0.00 O ATOM 795 CB ALA A 53 -0.685 5.256 -0.983 1.00 0.00 C ATOM 0 H ALA A 53 -2.509 3.781 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.077 5.252 -2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.077 5.812 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.285 5.948 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.204 4.536 -0.321 1.00 0.00 H new ATOM 801 N TYR A 54 -0.657 2.336 -2.470 1.00 0.00 N ATOM 802 CA TYR A 54 0.110 1.358 -3.232 1.00 0.00 C ATOM 803 C TYR A 54 -0.618 0.976 -4.518 1.00 0.00 C ATOM 804 O TYR A 54 0.010 0.701 -5.541 1.00 0.00 O ATOM 805 CB TYR A 54 0.365 0.108 -2.387 1.00 0.00 C ATOM 806 CG TYR A 54 1.252 -0.911 -3.066 1.00 0.00 C ATOM 807 CD1 TYR A 54 2.633 -0.868 -2.918 1.00 0.00 C ATOM 808 CD2 TYR A 54 0.709 -1.917 -3.855 1.00 0.00 C ATOM 809 CE1 TYR A 54 3.447 -1.797 -3.537 1.00 0.00 C ATOM 810 CE2 TYR A 54 1.515 -2.851 -4.476 1.00 0.00 C ATOM 811 CZ TYR A 54 2.883 -2.786 -4.315 1.00 0.00 C ATOM 812 OH TYR A 54 3.691 -3.714 -4.932 1.00 0.00 O ATOM 0 H TYR A 54 -1.103 1.962 -1.632 1.00 0.00 H new ATOM 0 HA TYR A 54 1.065 1.811 -3.497 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.823 0.405 -1.443 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.590 -0.358 -2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.078 -0.095 -2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.362 -1.970 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.519 -1.749 -3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.076 -3.628 -5.084 1.00 0.00 H new ATOM 0 HH TYR A 54 3.356 -4.616 -4.744 1.00 0.00 H new ATOM 822 N CYS A 55 -1.945 0.962 -4.456 1.00 0.00 N ATOM 823 CA CYS A 55 -2.760 0.614 -5.615 1.00 0.00 C ATOM 824 C CYS A 55 -2.827 1.776 -6.601 1.00 0.00 C ATOM 825 O CYS A 55 -2.716 1.581 -7.811 1.00 0.00 O ATOM 826 CB CYS A 55 -4.171 0.223 -5.173 1.00 0.00 C ATOM 827 SG CYS A 55 -4.215 -1.009 -3.851 1.00 0.00 S ATOM 0 H CYS A 55 -2.479 1.187 -3.617 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.294 -0.236 -6.114 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.697 1.118 -4.839 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.716 -0.164 -6.034 1.00 0.00 H new ATOM 0 HG CYS A 55 -5.115 -0.673 -2.975 1.00 0.00 H new ATOM 833 N GLU A 56 -3.010 2.983 -6.075 1.00 0.00 N ATOM 834 CA GLU A 56 -3.094 4.175 -6.911 1.00 0.00 C ATOM 835 C GLU A 56 -1.758 4.456 -7.593 1.00 0.00 C ATOM 836 O GLU A 56 -1.714 4.806 -8.773 1.00 0.00 O ATOM 837 CB GLU A 56 -3.515 5.384 -6.072 1.00 0.00 C ATOM 838 CG GLU A 56 -2.356 6.069 -5.368 1.00 0.00 C ATOM 839 CD GLU A 56 -2.795 7.276 -4.561 1.00 0.00 C ATOM 840 OE1 GLU A 56 -3.726 7.135 -3.741 1.00 0.00 O ATOM 841 OE2 GLU A 56 -2.207 8.361 -4.751 1.00 0.00 O ATOM 0 H GLU A 56 -3.103 3.161 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.845 3.996 -7.681 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.016 6.106 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.243 5.063 -5.327 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.863 5.355 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.619 6.380 -6.108 1.00 0.00 H new ATOM 848 N ARG A 57 -0.673 4.301 -6.843 1.00 0.00 N ATOM 849 CA ARG A 57 0.664 4.539 -7.375 1.00 0.00 C ATOM 850 C ARG A 57 0.834 3.874 -8.737 1.00 0.00 C ATOM 851 O ARG A 57 1.179 4.530 -9.719 1.00 0.00 O ATOM 852 CB ARG A 57 1.723 4.015 -6.403 1.00 0.00 C ATOM 853 CG ARG A 57 3.148 4.330 -6.828 1.00 0.00 C ATOM 854 CD ARG A 57 4.154 3.452 -6.099 1.00 0.00 C ATOM 855 NE ARG A 57 5.454 4.104 -5.966 1.00 0.00 N ATOM 856 CZ ARG A 57 6.319 4.228 -6.966 1.00 0.00 C ATOM 857 NH1 ARG A 57 6.024 3.749 -8.166 1.00 0.00 N ATOM 858 NH2 ARG A 57 7.483 4.835 -6.767 1.00 0.00 N ATOM 0 H ARG A 57 -0.693 4.012 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 57 0.793 5.614 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.543 4.444 -5.417 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.612 2.935 -6.306 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.249 4.185 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.366 5.379 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.769 3.205 -5.109 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.273 2.512 -6.638 1.00 0.00 H new ATOM 0 HE ARG A 57 5.712 4.485 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.130 3.283 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.691 3.846 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.713 5.207 -5.845 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.147 4.930 -7.536 1.00 0.00 H new ATOM 872 N GLN A 58 0.590 2.568 -8.787 1.00 0.00 N ATOM 873 CA GLN A 58 0.717 1.815 -10.029 1.00 0.00 C ATOM 874 C GLN A 58 -0.556 1.920 -10.863 1.00 0.00 C ATOM 875 O GLN A 58 -0.513 2.291 -12.035 1.00 0.00 O ATOM 876 CB GLN A 58 1.026 0.347 -9.730 1.00 0.00 C ATOM 877 CG GLN A 58 2.302 0.144 -8.931 1.00 0.00 C ATOM 878 CD GLN A 58 3.517 0.746 -9.608 1.00 0.00 C ATOM 879 OE1 GLN A 58 3.510 0.996 -10.814 1.00 0.00 O ATOM 880 NE2 GLN A 58 4.571 0.982 -8.835 1.00 0.00 N ATOM 0 H GLN A 58 0.304 2.010 -7.983 1.00 0.00 H new ATOM 0 HA GLN A 58 1.540 2.243 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.190 -0.087 -9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.106 -0.198 -10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.183 0.590 -7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.466 -0.923 -8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.534 0.760 -7.840 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.417 1.386 -9.236 1.00 0.00 H new ATOM 889 N GLY A 59 -1.688 1.590 -10.249 1.00 0.00 N ATOM 890 CA GLY A 59 -2.957 1.654 -10.950 1.00 0.00 C ATOM 891 C GLY A 59 -3.707 0.337 -10.912 1.00 0.00 C ATOM 892 O GLY A 59 -4.405 -0.016 -11.864 1.00 0.00 O ATOM 0 H GLY A 59 -1.749 1.280 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.575 2.434 -10.505 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.782 1.939 -11.987 1.00 0.00 H new ATOM 896 N LEU A 60 -3.563 -0.393 -9.811 1.00 0.00 N ATOM 897 CA LEU A 60 -4.231 -1.680 -9.654 1.00 0.00 C ATOM 898 C LEU A 60 -5.355 -1.588 -8.627 1.00 0.00 C ATOM 899 O LEU A 60 -5.570 -0.539 -8.019 1.00 0.00 O ATOM 900 CB LEU A 60 -3.224 -2.751 -9.230 1.00 0.00 C ATOM 901 CG LEU A 60 -1.867 -2.711 -9.933 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.790 -3.320 -9.048 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.936 -3.438 -11.268 1.00 0.00 C ATOM 0 H LEU A 60 -2.990 -0.115 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.664 -1.957 -10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.058 -2.660 -8.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.671 -3.730 -9.402 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.608 -1.669 -10.122 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.169 -3.283 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.723 -2.757 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.044 -4.357 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.961 -3.399 -11.754 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.218 -4.478 -11.102 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.679 -2.958 -11.906 1.00 0.00 H new ATOM 915 N SER A 61 -6.067 -2.693 -8.436 1.00 0.00 N ATOM 916 CA SER A 61 -7.171 -2.737 -7.483 1.00 0.00 C ATOM 917 C SER A 61 -6.752 -3.449 -6.200 1.00 0.00 C ATOM 918 O SER A 61 -5.927 -4.362 -6.225 1.00 0.00 O ATOM 919 CB SER A 61 -8.379 -3.444 -8.101 1.00 0.00 C ATOM 920 OG SER A 61 -9.591 -2.950 -7.558 1.00 0.00 O ATOM 0 H SER A 61 -5.900 -3.571 -8.928 1.00 0.00 H new ATOM 0 HA SER A 61 -7.447 -1.712 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.375 -3.300 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.307 -4.517 -7.922 1.00 0.00 H new ATOM 0 HG SER A 61 -10.348 -3.416 -7.970 1.00 0.00 H new ATOM 926 N MET A 62 -7.328 -3.024 -5.080 1.00 0.00 N ATOM 927 CA MET A 62 -7.017 -3.621 -3.787 1.00 0.00 C ATOM 928 C MET A 62 -7.187 -5.136 -3.832 1.00 0.00 C ATOM 929 O MET A 62 -6.271 -5.883 -3.490 1.00 0.00 O ATOM 930 CB MET A 62 -7.913 -3.028 -2.698 1.00 0.00 C ATOM 931 CG MET A 62 -7.417 -1.694 -2.162 1.00 0.00 C ATOM 932 SD MET A 62 -5.952 -1.865 -1.125 1.00 0.00 S ATOM 933 CE MET A 62 -6.652 -1.576 0.499 1.00 0.00 C ATOM 0 H MET A 62 -8.012 -2.269 -5.042 1.00 0.00 H new ATOM 0 HA MET A 62 -5.976 -3.397 -3.553 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.919 -2.898 -3.097 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.986 -3.737 -1.873 1.00 0.00 H new ATOM 0 HG2 MET A 62 -7.191 -1.032 -2.998 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.212 -1.220 -1.586 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.053 -2.091 1.250 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.656 -0.506 0.708 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.674 -1.955 0.528 1.00 0.00 H new ATOM 943 N ARG A 63 -8.365 -5.582 -4.257 1.00 0.00 N ATOM 944 CA ARG A 63 -8.655 -7.008 -4.345 1.00 0.00 C ATOM 945 C ARG A 63 -7.683 -7.703 -5.295 1.00 0.00 C ATOM 946 O ARG A 63 -7.188 -8.791 -5.004 1.00 0.00 O ATOM 947 CB ARG A 63 -10.093 -7.230 -4.818 1.00 0.00 C ATOM 948 CG ARG A 63 -10.408 -6.557 -6.144 1.00 0.00 C ATOM 949 CD ARG A 63 -11.875 -6.166 -6.235 1.00 0.00 C ATOM 950 NE ARG A 63 -12.704 -7.260 -6.734 1.00 0.00 N ATOM 951 CZ ARG A 63 -12.854 -7.540 -8.023 1.00 0.00 C ATOM 952 NH1 ARG A 63 -12.234 -6.810 -8.940 1.00 0.00 N ATOM 953 NH2 ARG A 63 -13.625 -8.553 -8.399 1.00 0.00 N ATOM 0 H ARG A 63 -9.133 -4.977 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.536 -7.439 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.275 -8.301 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -10.779 -6.855 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.786 -5.670 -6.260 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.158 -7.231 -6.964 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.231 -5.862 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.980 -5.303 -6.892 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.195 -7.841 -6.054 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.640 -6.031 -8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.351 -7.027 -9.930 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.103 -9.118 -7.697 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.739 -8.767 -9.390 1.00 0.00 H new ATOM 967 N GLN A 64 -7.417 -7.066 -6.430 1.00 0.00 N ATOM 968 CA GLN A 64 -6.506 -7.623 -7.423 1.00 0.00 C ATOM 969 C GLN A 64 -5.175 -8.008 -6.785 1.00 0.00 C ATOM 970 O GLN A 64 -4.619 -9.068 -7.076 1.00 0.00 O ATOM 971 CB GLN A 64 -6.272 -6.619 -8.553 1.00 0.00 C ATOM 972 CG GLN A 64 -7.295 -6.714 -9.673 1.00 0.00 C ATOM 973 CD GLN A 64 -7.094 -5.654 -10.738 1.00 0.00 C ATOM 974 OE1 GLN A 64 -7.986 -4.847 -11.003 1.00 0.00 O ATOM 975 NE2 GLN A 64 -5.919 -5.650 -11.356 1.00 0.00 N ATOM 0 H GLN A 64 -7.819 -6.164 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.964 -8.522 -7.835 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.290 -5.610 -8.141 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.276 -6.777 -8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.235 -7.701 -10.132 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.297 -6.618 -9.254 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.208 -6.337 -11.105 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.727 -4.960 -12.082 1.00 0.00 H new ATOM 984 N ILE A 65 -4.669 -7.141 -5.915 1.00 0.00 N ATOM 985 CA ILE A 65 -3.404 -7.391 -5.235 1.00 0.00 C ATOM 986 C ILE A 65 -3.632 -7.843 -3.797 1.00 0.00 C ATOM 987 O ILE A 65 -4.760 -7.829 -3.303 1.00 0.00 O ATOM 988 CB ILE A 65 -2.510 -6.137 -5.231 1.00 0.00 C ATOM 989 CG1 ILE A 65 -3.191 -5.000 -4.466 1.00 0.00 C ATOM 990 CG2 ILE A 65 -2.193 -5.708 -6.656 1.00 0.00 C ATOM 991 CD1 ILE A 65 -2.218 -4.054 -3.798 1.00 0.00 C ATOM 0 H ILE A 65 -5.116 -6.259 -5.664 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.901 -8.185 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.574 -6.378 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.820 -4.435 -5.154 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.849 -5.426 -3.709 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.560 -4.821 -6.637 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.671 -6.514 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.120 -5.481 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.770 -3.274 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.606 -4.606 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.576 -3.600 -4.553 1.00 0.00 H new ATOM 1003 N ARG A 66 -2.554 -8.242 -3.130 1.00 0.00 N ATOM 1004 CA ARG A 66 -2.637 -8.698 -1.747 1.00 0.00 C ATOM 1005 C ARG A 66 -1.423 -8.233 -0.948 1.00 0.00 C ATOM 1006 O ARG A 66 -0.326 -8.093 -1.490 1.00 0.00 O ATOM 1007 CB ARG A 66 -2.740 -10.223 -1.696 1.00 0.00 C ATOM 1008 CG ARG A 66 -4.129 -10.750 -2.020 1.00 0.00 C ATOM 1009 CD ARG A 66 -5.116 -10.439 -0.906 1.00 0.00 C ATOM 1010 NE ARG A 66 -5.109 -11.464 0.134 1.00 0.00 N ATOM 1011 CZ ARG A 66 -4.311 -11.427 1.196 1.00 0.00 C ATOM 1012 NH1 ARG A 66 -3.462 -10.422 1.357 1.00 0.00 N ATOM 1013 NH2 ARG A 66 -4.363 -12.397 2.100 1.00 0.00 N ATOM 0 H ARG A 66 -1.613 -8.259 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.532 -8.265 -1.301 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.025 -10.651 -2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.453 -10.565 -0.702 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.479 -10.307 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.083 -11.828 -2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.871 -9.473 -0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.119 -10.354 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.751 -12.251 0.040 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.420 -9.674 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.851 -10.396 2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.016 -13.172 1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.750 -12.368 2.915 1.00 0.00 H new ATOM 1027 N PHE A 67 -1.627 -7.994 0.343 1.00 0.00 N ATOM 1028 CA PHE A 67 -0.550 -7.543 1.217 1.00 0.00 C ATOM 1029 C PHE A 67 -0.244 -8.587 2.287 1.00 0.00 C ATOM 1030 O PHE A 67 -1.128 -9.331 2.714 1.00 0.00 O ATOM 1031 CB PHE A 67 -0.922 -6.214 1.877 1.00 0.00 C ATOM 1032 CG PHE A 67 -1.066 -5.080 0.902 1.00 0.00 C ATOM 1033 CD1 PHE A 67 -2.242 -4.904 0.192 1.00 0.00 C ATOM 1034 CD2 PHE A 67 -0.024 -4.190 0.697 1.00 0.00 C ATOM 1035 CE1 PHE A 67 -2.377 -3.862 -0.706 1.00 0.00 C ATOM 1036 CE2 PHE A 67 -0.153 -3.145 -0.199 1.00 0.00 C ATOM 1037 CZ PHE A 67 -1.331 -2.981 -0.901 1.00 0.00 C ATOM 0 H PHE A 67 -2.528 -8.105 0.807 1.00 0.00 H new ATOM 0 HA PHE A 67 0.342 -7.401 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.859 -6.337 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.159 -5.956 2.612 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.063 -5.589 0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.899 -4.314 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.299 -3.737 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.666 -2.458 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.434 -2.165 -1.601 1.00 0.00 H new ATOM 1047 N ARG A 68 1.013 -8.637 2.714 1.00 0.00 N ATOM 1048 CA ARG A 68 1.436 -9.591 3.733 1.00 0.00 C ATOM 1049 C ARG A 68 2.632 -9.055 4.515 1.00 0.00 C ATOM 1050 O ARG A 68 3.445 -8.297 3.986 1.00 0.00 O ATOM 1051 CB ARG A 68 1.793 -10.932 3.089 1.00 0.00 C ATOM 1052 CG ARG A 68 0.582 -11.748 2.669 1.00 0.00 C ATOM 1053 CD ARG A 68 0.916 -13.227 2.564 1.00 0.00 C ATOM 1054 NE ARG A 68 -0.095 -13.965 1.811 1.00 0.00 N ATOM 1055 CZ ARG A 68 -0.120 -15.289 1.716 1.00 0.00 C ATOM 1056 NH1 ARG A 68 0.806 -16.018 2.324 1.00 0.00 N ATOM 1057 NH2 ARG A 68 -1.073 -15.888 1.012 1.00 0.00 N ATOM 0 H ARG A 68 1.756 -8.029 2.371 1.00 0.00 H new ATOM 0 HA ARG A 68 0.607 -9.738 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.419 -10.750 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.388 -11.516 3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.222 -11.606 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.215 -11.388 1.708 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.886 -13.346 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.004 -13.651 3.564 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.822 -13.434 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.540 -15.562 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.785 -17.035 2.250 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.787 -15.331 0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.091 -16.905 0.940 1.00 0.00 H new ATOM 1071 N PHE A 69 2.732 -9.455 5.779 1.00 0.00 N ATOM 1072 CA PHE A 69 3.827 -9.014 6.635 1.00 0.00 C ATOM 1073 C PHE A 69 4.492 -10.203 7.322 1.00 0.00 C ATOM 1074 O PHE A 69 3.878 -10.882 8.146 1.00 0.00 O ATOM 1075 CB PHE A 69 3.316 -8.025 7.685 1.00 0.00 C ATOM 1076 CG PHE A 69 4.391 -7.514 8.601 1.00 0.00 C ATOM 1077 CD1 PHE A 69 5.234 -6.492 8.199 1.00 0.00 C ATOM 1078 CD2 PHE A 69 4.558 -8.058 9.865 1.00 0.00 C ATOM 1079 CE1 PHE A 69 6.225 -6.019 9.040 1.00 0.00 C ATOM 1080 CE2 PHE A 69 5.545 -7.589 10.710 1.00 0.00 C ATOM 1081 CZ PHE A 69 6.381 -6.570 10.297 1.00 0.00 C ATOM 0 H PHE A 69 2.068 -10.083 6.232 1.00 0.00 H new ATOM 0 HA PHE A 69 4.568 -8.517 6.008 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.849 -7.180 7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.541 -8.508 8.281 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.116 -6.059 7.217 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.910 -8.857 10.193 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.875 -5.221 8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.663 -8.019 11.694 1.00 0.00 H new ATOM 0 HZ PHE A 69 7.155 -6.205 10.956 1.00 0.00 H new ATOM 1091 N ASP A 70 5.751 -10.449 6.978 1.00 0.00 N ATOM 1092 CA ASP A 70 6.501 -11.556 7.561 1.00 0.00 C ATOM 1093 C ASP A 70 5.847 -12.892 7.226 1.00 0.00 C ATOM 1094 O ASP A 70 5.978 -13.863 7.970 1.00 0.00 O ATOM 1095 CB ASP A 70 6.601 -11.389 9.078 1.00 0.00 C ATOM 1096 CG ASP A 70 7.827 -10.600 9.495 1.00 0.00 C ATOM 1097 OD1 ASP A 70 8.919 -10.874 8.956 1.00 0.00 O ATOM 1098 OD2 ASP A 70 7.694 -9.710 10.361 1.00 0.00 O ATOM 0 H ASP A 70 6.274 -9.897 6.298 1.00 0.00 H new ATOM 0 HA ASP A 70 7.504 -11.547 7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.707 -10.885 9.445 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.628 -12.372 9.548 1.00 0.00 H new ATOM 1103 N GLY A 71 5.141 -12.934 6.100 1.00 0.00 N ATOM 1104 CA GLY A 71 4.476 -14.156 5.686 1.00 0.00 C ATOM 1105 C GLY A 71 3.130 -14.340 6.360 1.00 0.00 C ATOM 1106 O GLY A 71 2.718 -15.466 6.637 1.00 0.00 O ATOM 0 H GLY A 71 5.018 -12.144 5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.339 -14.143 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.114 -15.009 5.916 1.00 0.00 H new ATOM 1110 N GLN A 72 2.447 -13.232 6.626 1.00 0.00 N ATOM 1111 CA GLN A 72 1.141 -13.277 7.274 1.00 0.00 C ATOM 1112 C GLN A 72 0.175 -12.295 6.620 1.00 0.00 C ATOM 1113 O GLN A 72 0.551 -11.200 6.203 1.00 0.00 O ATOM 1114 CB GLN A 72 1.277 -12.961 8.764 1.00 0.00 C ATOM 1115 CG GLN A 72 1.154 -11.480 9.086 1.00 0.00 C ATOM 1116 CD GLN A 72 1.954 -11.080 10.310 1.00 0.00 C ATOM 1117 OE1 GLN A 72 2.646 -11.903 10.910 1.00 0.00 O ATOM 1118 NE2 GLN A 72 1.863 -9.810 10.688 1.00 0.00 N ATOM 0 H GLN A 72 2.775 -12.292 6.403 1.00 0.00 H new ATOM 0 HA GLN A 72 0.740 -14.284 7.158 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.512 -13.509 9.314 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.243 -13.322 9.117 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.492 -10.897 8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.105 -11.233 9.246 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.277 -9.162 10.161 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.379 -9.483 11.505 1.00 0.00 H new ATOM 1127 N PRO A 73 -1.102 -12.695 6.527 1.00 0.00 N ATOM 1128 CA PRO A 73 -2.150 -11.865 5.924 1.00 0.00 C ATOM 1129 C PRO A 73 -2.490 -10.650 6.780 1.00 0.00 C ATOM 1130 O PRO A 73 -2.906 -10.787 7.931 1.00 0.00 O ATOM 1131 CB PRO A 73 -3.349 -12.813 5.840 1.00 0.00 C ATOM 1132 CG PRO A 73 -3.114 -13.818 6.914 1.00 0.00 C ATOM 1133 CD PRO A 73 -1.622 -13.988 7.002 1.00 0.00 C ATOM 0 HA PRO A 73 -1.844 -11.457 4.961 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.287 -12.280 5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.411 -13.287 4.861 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.525 -13.477 7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.601 -14.764 6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.301 -14.200 8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.274 -14.813 6.381 1.00 0.00 H new ATOM 1141 N ILE A 74 -2.312 -9.462 6.212 1.00 0.00 N ATOM 1142 CA ILE A 74 -2.603 -8.224 6.923 1.00 0.00 C ATOM 1143 C ILE A 74 -3.870 -7.566 6.387 1.00 0.00 C ATOM 1144 O ILE A 74 -4.170 -7.652 5.197 1.00 0.00 O ATOM 1145 CB ILE A 74 -1.435 -7.226 6.816 1.00 0.00 C ATOM 1146 CG1 ILE A 74 -0.849 -7.243 5.402 1.00 0.00 C ATOM 1147 CG2 ILE A 74 -0.362 -7.553 7.844 1.00 0.00 C ATOM 1148 CD1 ILE A 74 0.086 -6.087 5.121 1.00 0.00 C ATOM 0 H ILE A 74 -1.967 -9.331 5.261 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.750 -8.489 7.970 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.813 -6.224 7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.312 -8.179 5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.665 -7.224 4.679 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.457 -6.839 7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.788 -7.495 8.846 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.015 -8.560 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 74 0.463 -6.164 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.452 -5.147 5.239 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.922 -6.117 5.820 1.00 0.00 H new ATOM 1160 N ASN A 75 -4.609 -6.908 7.274 1.00 0.00 N ATOM 1161 CA ASN A 75 -5.844 -6.234 6.890 1.00 0.00 C ATOM 1162 C ASN A 75 -5.717 -4.724 7.067 1.00 0.00 C ATOM 1163 O ASN A 75 -5.196 -4.249 8.076 1.00 0.00 O ATOM 1164 CB ASN A 75 -7.016 -6.759 7.722 1.00 0.00 C ATOM 1165 CG ASN A 75 -7.227 -8.250 7.547 1.00 0.00 C ATOM 1166 OD1 ASN A 75 -7.818 -8.693 6.561 1.00 0.00 O ATOM 1167 ND2 ASN A 75 -6.744 -9.033 8.504 1.00 0.00 N ATOM 0 H ASN A 75 -4.374 -6.827 8.263 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.031 -6.444 5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.837 -6.541 8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.926 -6.230 7.437 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.856 -10.045 8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.261 -8.623 9.303 1.00 0.00 H new ATOM 1174 N GLU A 76 -6.196 -3.975 6.078 1.00 0.00 N ATOM 1175 CA GLU A 76 -6.135 -2.519 6.125 1.00 0.00 C ATOM 1176 C GLU A 76 -6.500 -2.004 7.514 1.00 0.00 C ATOM 1177 O GLU A 76 -5.840 -1.114 8.052 1.00 0.00 O ATOM 1178 CB GLU A 76 -7.076 -1.914 5.081 1.00 0.00 C ATOM 1179 CG GLU A 76 -8.465 -2.530 5.084 1.00 0.00 C ATOM 1180 CD GLU A 76 -9.378 -1.916 4.039 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -9.620 -0.693 4.109 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -9.849 -2.658 3.152 1.00 0.00 O ATOM 0 H GLU A 76 -6.630 -4.352 5.236 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.112 -2.216 5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.163 -0.842 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.635 -2.037 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.383 -3.602 4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.912 -2.405 6.070 1.00 0.00 H new ATOM 1189 N THR A 77 -7.557 -2.569 8.090 1.00 0.00 N ATOM 1190 CA THR A 77 -8.011 -2.166 9.415 1.00 0.00 C ATOM 1191 C THR A 77 -6.872 -2.219 10.427 1.00 0.00 C ATOM 1192 O THR A 77 -6.663 -1.277 11.191 1.00 0.00 O ATOM 1193 CB THR A 77 -9.164 -3.061 9.909 1.00 0.00 C ATOM 1194 OG1 THR A 77 -8.739 -4.428 9.951 1.00 0.00 O ATOM 1195 CG2 THR A 77 -10.378 -2.929 9.003 1.00 0.00 C ATOM 0 H THR A 77 -8.114 -3.307 7.659 1.00 0.00 H new ATOM 0 HA THR A 77 -8.368 -1.140 9.328 1.00 0.00 H new ATOM 0 HB THR A 77 -9.443 -2.737 10.912 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.477 -4.990 10.268 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.179 -3.570 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.716 -1.893 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 77 -10.110 -3.229 7.990 1.00 0.00 H new ATOM 1203 N ASP A 78 -6.138 -3.326 10.426 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.017 -3.501 11.343 1.00 0.00 C ATOM 1205 C ASP A 78 -4.051 -2.325 11.251 1.00 0.00 C ATOM 1206 O ASP A 78 -4.033 -1.597 10.257 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.282 -4.807 11.040 1.00 0.00 C ATOM 1208 CG ASP A 78 -5.031 -6.024 11.545 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -5.615 -5.946 12.646 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -5.032 -7.056 10.841 1.00 0.00 O ATOM 0 H ASP A 78 -6.299 -4.116 9.801 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.413 -3.543 12.358 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -4.134 -4.896 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -3.293 -4.778 11.496 1.00 0.00 H new ATOM 1215 N THR A 79 -3.247 -2.142 12.294 1.00 0.00 N ATOM 1216 CA THR A 79 -2.279 -1.053 12.332 1.00 0.00 C ATOM 1217 C THR A 79 -0.851 -1.587 12.338 1.00 0.00 C ATOM 1218 O THR A 79 -0.595 -2.741 12.681 1.00 0.00 O ATOM 1219 CB THR A 79 -2.486 -0.160 13.570 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.957 -0.948 14.669 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.481 0.952 13.274 1.00 0.00 C ATOM 0 H THR A 79 -3.247 -2.735 13.124 1.00 0.00 H new ATOM 0 HA THR A 79 -2.438 -0.457 11.433 1.00 0.00 H new ATOM 0 HB THR A 79 -1.528 0.290 13.830 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.084 -0.373 15.453 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.611 1.570 14.163 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.106 1.567 12.456 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.439 0.517 12.991 1.00 0.00 H new ATOM 1229 N PRO A 80 0.104 -0.729 11.949 1.00 0.00 N ATOM 1230 CA PRO A 80 1.523 -1.092 11.902 1.00 0.00 C ATOM 1231 C PRO A 80 2.120 -1.279 13.293 1.00 0.00 C ATOM 1232 O PRO A 80 3.204 -1.842 13.443 1.00 0.00 O ATOM 1233 CB PRO A 80 2.172 0.102 11.198 1.00 0.00 C ATOM 1234 CG PRO A 80 1.256 1.246 11.470 1.00 0.00 C ATOM 1235 CD PRO A 80 -0.129 0.663 11.526 1.00 0.00 C ATOM 0 HA PRO A 80 1.684 -2.043 11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.172 0.295 11.586 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.275 -0.077 10.128 1.00 0.00 H new ATOM 0 HG2 PRO A 80 1.512 1.736 12.410 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.331 2.000 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.762 1.198 12.234 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -0.625 0.711 10.556 1.00 0.00 H new ATOM 1243 N ALA A 81 1.406 -0.803 14.307 1.00 0.00 N ATOM 1244 CA ALA A 81 1.864 -0.920 15.686 1.00 0.00 C ATOM 1245 C ALA A 81 1.481 -2.271 16.279 1.00 0.00 C ATOM 1246 O ALA A 81 2.176 -2.797 17.149 1.00 0.00 O ATOM 1247 CB ALA A 81 1.293 0.210 16.530 1.00 0.00 C ATOM 0 H ALA A 81 0.507 -0.332 14.200 1.00 0.00 H new ATOM 0 HA ALA A 81 2.952 -0.847 15.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.643 0.110 17.557 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.622 1.168 16.126 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.204 0.163 16.512 1.00 0.00 H new ATOM 1253 N GLN A 82 0.372 -2.828 15.803 1.00 0.00 N ATOM 1254 CA GLN A 82 -0.103 -4.119 16.288 1.00 0.00 C ATOM 1255 C GLN A 82 0.843 -5.239 15.871 1.00 0.00 C ATOM 1256 O GLN A 82 1.015 -6.222 16.593 1.00 0.00 O ATOM 1257 CB GLN A 82 -1.511 -4.400 15.758 1.00 0.00 C ATOM 1258 CG GLN A 82 -2.265 -5.446 16.562 1.00 0.00 C ATOM 1259 CD GLN A 82 -2.235 -5.170 18.053 1.00 0.00 C ATOM 1260 OE1 GLN A 82 -1.690 -5.955 18.830 1.00 0.00 O ATOM 1261 NE2 GLN A 82 -2.822 -4.051 18.460 1.00 0.00 N ATOM 0 H GLN A 82 -0.214 -2.406 15.083 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.133 -4.081 17.377 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.082 -3.472 15.758 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.441 -4.731 14.722 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -3.301 -5.482 16.224 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.833 -6.428 16.369 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.261 -3.430 17.781 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.834 -3.813 19.452 1.00 0.00 H new ATOM 1270 N LEU A 83 1.454 -5.086 14.701 1.00 0.00 N ATOM 1271 CA LEU A 83 2.384 -6.085 14.187 1.00 0.00 C ATOM 1272 C LEU A 83 3.826 -5.698 14.496 1.00 0.00 C ATOM 1273 O LEU A 83 4.759 -6.171 13.847 1.00 0.00 O ATOM 1274 CB LEU A 83 2.202 -6.251 12.677 1.00 0.00 C ATOM 1275 CG LEU A 83 0.759 -6.364 12.184 1.00 0.00 C ATOM 1276 CD1 LEU A 83 0.704 -6.268 10.667 1.00 0.00 C ATOM 1277 CD2 LEU A 83 0.132 -7.666 12.661 1.00 0.00 C ATOM 0 H LEU A 83 1.322 -4.280 14.091 1.00 0.00 H new ATOM 0 HA LEU A 83 2.168 -7.033 14.680 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.670 -5.401 12.179 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.744 -7.143 12.362 1.00 0.00 H new ATOM 0 HG LEU A 83 0.187 -5.535 12.601 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.331 -6.350 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.112 -5.309 10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.291 -7.076 10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.895 -7.729 12.301 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.705 -8.509 12.274 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.136 -7.694 13.751 1.00 0.00 H new ATOM 1289 N GLU A 84 4.001 -4.837 15.494 1.00 0.00 N ATOM 1290 CA GLU A 84 5.331 -4.388 15.890 1.00 0.00 C ATOM 1291 C GLU A 84 6.187 -4.075 14.666 1.00 0.00 C ATOM 1292 O GLU A 84 7.341 -4.495 14.579 1.00 0.00 O ATOM 1293 CB GLU A 84 6.018 -5.452 16.749 1.00 0.00 C ATOM 1294 CG GLU A 84 5.991 -6.841 16.133 1.00 0.00 C ATOM 1295 CD GLU A 84 6.773 -7.855 16.946 1.00 0.00 C ATOM 1296 OE1 GLU A 84 6.435 -8.053 18.132 1.00 0.00 O ATOM 1297 OE2 GLU A 84 7.723 -8.450 16.395 1.00 0.00 O ATOM 0 H GLU A 84 3.240 -4.437 16.042 1.00 0.00 H new ATOM 0 HA GLU A 84 5.219 -3.476 16.476 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.054 -5.158 16.917 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.534 -5.487 17.725 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.957 -7.174 16.041 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.402 -6.795 15.124 1.00 0.00 H new ATOM 1304 N MET A 85 5.613 -3.336 13.723 1.00 0.00 N ATOM 1305 CA MET A 85 6.323 -2.967 12.504 1.00 0.00 C ATOM 1306 C MET A 85 7.458 -1.995 12.810 1.00 0.00 C ATOM 1307 O MET A 85 7.228 -0.805 13.023 1.00 0.00 O ATOM 1308 CB MET A 85 5.357 -2.340 11.496 1.00 0.00 C ATOM 1309 CG MET A 85 4.344 -3.323 10.933 1.00 0.00 C ATOM 1310 SD MET A 85 3.469 -2.673 9.497 1.00 0.00 S ATOM 1311 CE MET A 85 3.857 -3.921 8.271 1.00 0.00 C ATOM 0 H MET A 85 4.658 -2.981 13.779 1.00 0.00 H new ATOM 0 HA MET A 85 6.750 -3.873 12.073 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.826 -1.519 11.977 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.930 -1.911 10.674 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.854 -4.246 10.656 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.622 -3.579 11.708 1.00 0.00 H new ATOM 0 HE1 MET A 85 3.371 -3.669 7.329 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.936 -3.962 8.123 1.00 0.00 H new ATOM 0 HE3 MET A 85 3.501 -4.892 8.615 1.00 0.00 H new ATOM 1321 N GLU A 86 8.683 -2.511 12.829 1.00 0.00 N ATOM 1322 CA GLU A 86 9.854 -1.687 13.111 1.00 0.00 C ATOM 1323 C GLU A 86 10.341 -0.985 11.846 1.00 0.00 C ATOM 1324 O GLU A 86 10.004 -1.386 10.732 1.00 0.00 O ATOM 1325 CB GLU A 86 10.978 -2.543 13.697 1.00 0.00 C ATOM 1326 CG GLU A 86 11.496 -3.606 12.742 1.00 0.00 C ATOM 1327 CD GLU A 86 12.722 -4.322 13.276 1.00 0.00 C ATOM 1328 OE1 GLU A 86 12.654 -4.852 14.404 1.00 0.00 O ATOM 1329 OE2 GLU A 86 13.748 -4.352 12.565 1.00 0.00 O ATOM 0 H GLU A 86 8.891 -3.494 12.653 1.00 0.00 H new ATOM 0 HA GLU A 86 9.567 -0.929 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.804 -1.894 13.987 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.619 -3.027 14.605 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.708 -4.335 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.738 -3.143 11.785 1.00 0.00 H new ATOM 1336 N ASP A 87 11.135 0.064 12.029 1.00 0.00 N ATOM 1337 CA ASP A 87 11.670 0.823 10.904 1.00 0.00 C ATOM 1338 C ASP A 87 12.487 -0.077 9.981 1.00 0.00 C ATOM 1339 O ASP A 87 13.005 -1.109 10.405 1.00 0.00 O ATOM 1340 CB ASP A 87 12.535 1.979 11.406 1.00 0.00 C ATOM 1341 CG ASP A 87 12.562 3.145 10.438 1.00 0.00 C ATOM 1342 OD1 ASP A 87 11.635 3.249 9.608 1.00 0.00 O ATOM 1343 OD2 ASP A 87 13.510 3.955 10.511 1.00 0.00 O ATOM 0 H ASP A 87 11.422 0.408 12.945 1.00 0.00 H new ATOM 0 HA ASP A 87 10.831 1.227 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.157 2.320 12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.552 1.623 11.570 1.00 0.00 H new ATOM 1348 N GLU A 88 12.596 0.323 8.718 1.00 0.00 N ATOM 1349 CA GLU A 88 13.349 -0.449 7.736 1.00 0.00 C ATOM 1350 C GLU A 88 12.726 -1.827 7.534 1.00 0.00 C ATOM 1351 O GLU A 88 13.427 -2.803 7.266 1.00 0.00 O ATOM 1352 CB GLU A 88 14.806 -0.595 8.178 1.00 0.00 C ATOM 1353 CG GLU A 88 15.588 0.707 8.139 1.00 0.00 C ATOM 1354 CD GLU A 88 16.975 0.573 8.737 1.00 0.00 C ATOM 1355 OE1 GLU A 88 17.073 0.367 9.965 1.00 0.00 O ATOM 1356 OE2 GLU A 88 17.961 0.675 7.978 1.00 0.00 O ATOM 0 H GLU A 88 12.173 1.176 8.351 1.00 0.00 H new ATOM 0 HA GLU A 88 13.317 0.087 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.831 -0.994 9.192 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.300 -1.325 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.673 1.045 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.035 1.475 8.681 1.00 0.00 H new ATOM 1363 N ASP A 89 11.406 -1.898 7.664 1.00 0.00 N ATOM 1364 CA ASP A 89 10.687 -3.156 7.496 1.00 0.00 C ATOM 1365 C ASP A 89 10.491 -3.475 6.017 1.00 0.00 C ATOM 1366 O ASP A 89 10.968 -2.749 5.144 1.00 0.00 O ATOM 1367 CB ASP A 89 9.332 -3.092 8.201 1.00 0.00 C ATOM 1368 CG ASP A 89 9.399 -3.594 9.630 1.00 0.00 C ATOM 1369 OD1 ASP A 89 10.521 -3.832 10.124 1.00 0.00 O ATOM 1370 OD2 ASP A 89 8.329 -3.749 10.255 1.00 0.00 O ATOM 0 H ASP A 89 10.812 -1.099 7.885 1.00 0.00 H new ATOM 0 HA ASP A 89 11.283 -3.950 7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 89 8.972 -2.063 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.607 -3.686 7.644 1.00 0.00 H new ATOM 1375 N THR A 90 9.785 -4.568 5.741 1.00 0.00 N ATOM 1376 CA THR A 90 9.527 -4.986 4.369 1.00 0.00 C ATOM 1377 C THR A 90 8.132 -5.582 4.229 1.00 0.00 C ATOM 1378 O THR A 90 7.743 -6.463 4.997 1.00 0.00 O ATOM 1379 CB THR A 90 10.565 -6.019 3.892 1.00 0.00 C ATOM 1380 OG1 THR A 90 11.879 -5.450 3.936 1.00 0.00 O ATOM 1381 CG2 THR A 90 10.255 -6.483 2.477 1.00 0.00 C ATOM 0 H THR A 90 9.382 -5.180 6.451 1.00 0.00 H new ATOM 0 HA THR A 90 9.601 -4.094 3.747 1.00 0.00 H new ATOM 0 HB THR A 90 10.520 -6.881 4.558 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.533 -6.114 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.001 -7.212 2.161 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.267 -6.942 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.275 -5.628 1.801 1.00 0.00 H new ATOM 1389 N ILE A 91 7.382 -5.097 3.245 1.00 0.00 N ATOM 1390 CA ILE A 91 6.030 -5.585 3.004 1.00 0.00 C ATOM 1391 C ILE A 91 6.000 -6.572 1.842 1.00 0.00 C ATOM 1392 O ILE A 91 6.783 -6.460 0.898 1.00 0.00 O ATOM 1393 CB ILE A 91 5.059 -4.427 2.704 1.00 0.00 C ATOM 1394 CG1 ILE A 91 5.257 -3.293 3.711 1.00 0.00 C ATOM 1395 CG2 ILE A 91 3.621 -4.922 2.731 1.00 0.00 C ATOM 1396 CD1 ILE A 91 4.213 -2.203 3.607 1.00 0.00 C ATOM 0 H ILE A 91 7.688 -4.367 2.602 1.00 0.00 H new ATOM 0 HA ILE A 91 5.710 -6.091 3.915 1.00 0.00 H new ATOM 0 HB ILE A 91 5.272 -4.043 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.240 -3.706 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.244 -2.855 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.947 -4.093 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.490 -5.700 1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 91 3.395 -5.329 3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.416 -1.433 4.351 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.245 -1.763 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.225 -2.627 3.785 1.00 0.00 H new ATOM 1408 N ASP A 92 5.091 -7.538 1.917 1.00 0.00 N ATOM 1409 CA ASP A 92 4.957 -8.545 0.870 1.00 0.00 C ATOM 1410 C ASP A 92 3.697 -8.304 0.044 1.00 0.00 C ATOM 1411 O ASP A 92 2.586 -8.298 0.574 1.00 0.00 O ATOM 1412 CB ASP A 92 4.921 -9.946 1.482 1.00 0.00 C ATOM 1413 CG ASP A 92 6.281 -10.395 1.981 1.00 0.00 C ATOM 1414 OD1 ASP A 92 6.752 -9.843 2.997 1.00 0.00 O ATOM 1415 OD2 ASP A 92 6.873 -11.299 1.355 1.00 0.00 O ATOM 0 H ASP A 92 4.436 -7.645 2.692 1.00 0.00 H new ATOM 0 HA ASP A 92 5.822 -8.467 0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.211 -9.960 2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 92 4.558 -10.655 0.738 1.00 0.00 H new ATOM 1420 N VAL A 93 3.878 -8.106 -1.258 1.00 0.00 N ATOM 1421 CA VAL A 93 2.757 -7.865 -2.157 1.00 0.00 C ATOM 1422 C VAL A 93 2.984 -8.532 -3.509 1.00 0.00 C ATOM 1423 O VAL A 93 4.123 -8.726 -3.934 1.00 0.00 O ATOM 1424 CB VAL A 93 2.524 -6.358 -2.374 1.00 0.00 C ATOM 1425 CG1 VAL A 93 1.373 -6.128 -3.341 1.00 0.00 C ATOM 1426 CG2 VAL A 93 2.261 -5.664 -1.046 1.00 0.00 C ATOM 0 H VAL A 93 4.791 -8.108 -1.713 1.00 0.00 H new ATOM 0 HA VAL A 93 1.875 -8.297 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 93 3.425 -5.929 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.224 -5.057 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.606 -6.591 -4.300 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.463 -6.571 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.098 -4.600 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.376 -6.096 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.120 -5.799 -0.389 1.00 0.00 H new ATOM 1436 N PHE A 94 1.892 -8.880 -4.182 1.00 0.00 N ATOM 1437 CA PHE A 94 1.971 -9.527 -5.487 1.00 0.00 C ATOM 1438 C PHE A 94 1.266 -8.691 -6.551 1.00 0.00 C ATOM 1439 O PHE A 94 0.041 -8.570 -6.548 1.00 0.00 O ATOM 1440 CB PHE A 94 1.352 -10.924 -5.426 1.00 0.00 C ATOM 1441 CG PHE A 94 1.867 -11.759 -4.288 1.00 0.00 C ATOM 1442 CD1 PHE A 94 1.477 -11.495 -2.985 1.00 0.00 C ATOM 1443 CD2 PHE A 94 2.741 -12.809 -4.522 1.00 0.00 C ATOM 1444 CE1 PHE A 94 1.951 -12.261 -1.937 1.00 0.00 C ATOM 1445 CE2 PHE A 94 3.217 -13.579 -3.478 1.00 0.00 C ATOM 1446 CZ PHE A 94 2.821 -13.305 -2.184 1.00 0.00 C ATOM 0 H PHE A 94 0.942 -8.725 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 94 3.023 -9.616 -5.758 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.270 -10.830 -5.336 1.00 0.00 H new ATOM 0 HB3 PHE A 94 1.550 -11.442 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 94 0.795 -10.682 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.054 -13.028 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.641 -12.043 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.898 -14.394 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.191 -13.906 -1.366 1.00 0.00 H new ATOM 1456 N GLN A 95 2.048 -8.118 -7.460 1.00 0.00 N ATOM 1457 CA GLN A 95 1.499 -7.293 -8.529 1.00 0.00 C ATOM 1458 C GLN A 95 1.176 -8.138 -9.757 1.00 0.00 C ATOM 1459 O GLN A 95 2.066 -8.497 -10.526 1.00 0.00 O ATOM 1460 CB GLN A 95 2.484 -6.184 -8.904 1.00 0.00 C ATOM 1461 CG GLN A 95 2.512 -5.035 -7.910 1.00 0.00 C ATOM 1462 CD GLN A 95 3.221 -3.810 -8.453 1.00 0.00 C ATOM 1463 OE1 GLN A 95 3.528 -3.733 -9.644 1.00 0.00 O ATOM 1464 NE2 GLN A 95 3.486 -2.843 -7.582 1.00 0.00 N ATOM 0 H GLN A 95 3.064 -8.210 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 95 0.575 -6.842 -8.167 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.484 -6.609 -8.983 1.00 0.00 H new ATOM 0 HB3 GLN A 95 2.224 -5.796 -9.889 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.490 -4.769 -7.640 1.00 0.00 H new ATOM 0 HG3 GLN A 95 3.008 -5.362 -6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.214 -2.948 -6.605 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.962 -1.995 -7.890 1.00 0.00 H new ATOM 1473 N GLN A 96 -0.104 -8.452 -9.933 1.00 0.00 N ATOM 1474 CA GLN A 96 -0.544 -9.256 -11.067 1.00 0.00 C ATOM 1475 C GLN A 96 -1.060 -8.370 -12.195 1.00 0.00 C ATOM 1476 O GLN A 96 -1.416 -7.213 -11.974 1.00 0.00 O ATOM 1477 CB GLN A 96 -1.635 -10.236 -10.632 1.00 0.00 C ATOM 1478 CG GLN A 96 -1.096 -11.482 -9.947 1.00 0.00 C ATOM 1479 CD GLN A 96 -2.192 -12.458 -9.566 1.00 0.00 C ATOM 1480 OE1 GLN A 96 -2.247 -13.577 -10.076 1.00 0.00 O ATOM 1481 NE2 GLN A 96 -3.071 -12.038 -8.664 1.00 0.00 N ATOM 0 H GLN A 96 -0.854 -8.162 -9.305 1.00 0.00 H new ATOM 0 HA GLN A 96 0.314 -9.819 -11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.320 -9.727 -9.954 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.214 -10.534 -11.506 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.387 -11.978 -10.609 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.546 -11.191 -9.052 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.987 -11.102 -8.267 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.830 -12.651 -8.368 1.00 0.00 H new ATOM 1490 N GLN A 97 -1.098 -8.921 -13.404 1.00 0.00 N ATOM 1491 CA GLN A 97 -1.570 -8.178 -14.567 1.00 0.00 C ATOM 1492 C GLN A 97 -2.994 -7.678 -14.352 1.00 0.00 C ATOM 1493 O GLN A 97 -3.865 -8.423 -13.900 1.00 0.00 O ATOM 1494 CB GLN A 97 -1.509 -9.056 -15.818 1.00 0.00 C ATOM 1495 CG GLN A 97 -0.138 -9.083 -16.476 1.00 0.00 C ATOM 1496 CD GLN A 97 0.970 -9.429 -15.501 1.00 0.00 C ATOM 1497 OE1 GLN A 97 1.338 -8.620 -14.649 1.00 0.00 O ATOM 1498 NE2 GLN A 97 1.509 -10.637 -15.622 1.00 0.00 N ATOM 0 H GLN A 97 -0.808 -9.878 -13.604 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.918 -7.315 -14.705 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.795 -10.074 -15.552 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.242 -8.697 -16.540 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -0.143 -9.811 -17.288 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.066 -8.109 -16.922 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.173 -11.276 -16.343 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.259 -10.926 -14.994 1.00 0.00 H new ATOM 1507 N THR A 98 -3.227 -6.410 -14.678 1.00 0.00 N ATOM 1508 CA THR A 98 -4.545 -5.810 -14.519 1.00 0.00 C ATOM 1509 C THR A 98 -5.447 -6.141 -15.703 1.00 0.00 C ATOM 1510 O THR A 98 -5.083 -5.910 -16.856 1.00 0.00 O ATOM 1511 CB THR A 98 -4.451 -4.279 -14.372 1.00 0.00 C ATOM 1512 OG1 THR A 98 -5.752 -3.729 -14.134 1.00 0.00 O ATOM 1513 CG2 THR A 98 -3.851 -3.651 -15.621 1.00 0.00 C ATOM 0 H THR A 98 -2.519 -5.779 -15.054 1.00 0.00 H new ATOM 0 HA THR A 98 -4.975 -6.230 -13.610 1.00 0.00 H new ATOM 0 HB THR A 98 -3.802 -4.057 -13.525 1.00 0.00 H new ATOM 0 HG1 THR A 98 -5.684 -2.756 -14.040 1.00 0.00 H new ATOM 0 HG21 THR A 98 -3.795 -2.570 -15.494 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.850 -4.050 -15.784 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.478 -3.883 -16.482 1.00 0.00 H new ATOM 1521 N SER A 99 -6.625 -6.682 -15.411 1.00 0.00 N ATOM 1522 CA SER A 99 -7.578 -7.047 -16.453 1.00 0.00 C ATOM 1523 C SER A 99 -8.902 -6.316 -16.258 1.00 0.00 C ATOM 1524 O SER A 99 -9.637 -6.582 -15.308 1.00 0.00 O ATOM 1525 CB SER A 99 -7.812 -8.559 -16.451 1.00 0.00 C ATOM 1526 OG SER A 99 -6.639 -9.257 -16.834 1.00 0.00 O ATOM 0 H SER A 99 -6.943 -6.877 -14.462 1.00 0.00 H new ATOM 0 HA SER A 99 -7.159 -6.752 -17.415 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.122 -8.881 -15.457 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.625 -8.805 -17.134 1.00 0.00 H new ATOM 0 HG SER A 99 -6.814 -10.221 -16.823 1.00 0.00 H new ATOM 1532 N GLY A 100 -9.200 -5.392 -17.167 1.00 0.00 N ATOM 1533 CA GLY A 100 -10.436 -4.636 -17.079 1.00 0.00 C ATOM 1534 C GLY A 100 -10.429 -3.409 -17.970 1.00 0.00 C ATOM 1535 O GLY A 100 -9.396 -2.775 -18.181 1.00 0.00 O ATOM 0 H GLY A 100 -8.608 -5.154 -17.962 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.272 -5.278 -17.357 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.599 -4.330 -16.046 1.00 0.00 H new ATOM 1539 N PRO A 101 -11.606 -3.060 -18.510 1.00 0.00 N ATOM 1540 CA PRO A 101 -11.758 -1.900 -19.393 1.00 0.00 C ATOM 1541 C PRO A 101 -11.597 -0.579 -18.647 1.00 0.00 C ATOM 1542 O PRO A 101 -11.965 -0.467 -17.478 1.00 0.00 O ATOM 1543 CB PRO A 101 -13.187 -2.043 -19.924 1.00 0.00 C ATOM 1544 CG PRO A 101 -13.901 -2.833 -18.883 1.00 0.00 C ATOM 1545 CD PRO A 101 -12.879 -3.770 -18.301 1.00 0.00 C ATOM 0 HA PRO A 101 -10.998 -1.880 -20.174 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -13.654 -1.069 -20.071 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.202 -2.553 -20.887 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.315 -2.181 -18.114 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -14.735 -3.385 -19.316 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -13.064 -3.960 -17.244 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -12.887 -4.737 -18.805 1.00 0.00 H new ATOM 1553 N SER A 102 -11.046 0.418 -19.332 1.00 0.00 N ATOM 1554 CA SER A 102 -10.834 1.731 -18.733 1.00 0.00 C ATOM 1555 C SER A 102 -12.092 2.586 -18.838 1.00 0.00 C ATOM 1556 O SER A 102 -12.518 2.951 -19.934 1.00 0.00 O ATOM 1557 CB SER A 102 -9.662 2.441 -19.413 1.00 0.00 C ATOM 1558 OG SER A 102 -9.297 3.614 -18.706 1.00 0.00 O ATOM 0 H SER A 102 -10.738 0.342 -20.302 1.00 0.00 H new ATOM 0 HA SER A 102 -10.601 1.589 -17.678 1.00 0.00 H new ATOM 0 HB2 SER A 102 -8.808 1.766 -19.470 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.933 2.699 -20.437 1.00 0.00 H new ATOM 0 HG SER A 102 -8.545 4.049 -19.160 1.00 0.00 H new ATOM 1564 N SER A 103 -12.683 2.902 -17.690 1.00 0.00 N ATOM 1565 CA SER A 103 -13.896 3.712 -17.652 1.00 0.00 C ATOM 1566 C SER A 103 -15.012 3.055 -18.459 1.00 0.00 C ATOM 1567 O SER A 103 -15.600 3.675 -19.344 1.00 0.00 O ATOM 1568 CB SER A 103 -13.615 5.114 -18.195 1.00 0.00 C ATOM 1569 OG SER A 103 -14.610 6.032 -17.776 1.00 0.00 O ATOM 0 H SER A 103 -12.342 2.610 -16.774 1.00 0.00 H new ATOM 0 HA SER A 103 -14.220 3.791 -16.614 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.637 5.451 -17.852 1.00 0.00 H new ATOM 0 HB3 SER A 103 -13.578 5.085 -19.284 1.00 0.00 H new ATOM 0 HG SER A 103 -14.407 6.921 -18.135 1.00 0.00 H new ATOM 1575 N GLY A 104 -15.299 1.796 -18.145 1.00 0.00 N ATOM 1576 CA GLY A 104 -16.344 1.075 -18.849 1.00 0.00 C ATOM 1577 C GLY A 104 -17.628 0.987 -18.048 1.00 0.00 C ATOM 1578 O GLY A 104 -18.691 1.387 -18.522 1.00 0.00 O ATOM 0 H GLY A 104 -14.827 1.262 -17.416 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -16.545 1.569 -19.799 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.994 0.069 -19.081 1.00 0.00 H new TER 1582 GLY A 104