USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 722 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 55 SER OG : rot 180:sc= -1.36 USER MOD Set 1.2: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 GLN : amide:sc= -1.76 K(o=-2.6,f=-4.1!) USER MOD Set 2.2: A 29 MET CE :methyl 144:sc= -0.781 (180deg=-0.281) USER MOD Set 2.3: A 32 THR OG1 : rot 139:sc= -0.0654 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0286 (180deg=-0.163) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= -0.111 USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= -0.309 (180deg=-0.868) USER MOD Single : A 28 ASN : amide:sc=-0.00498 X(o=-0.005,f=0) USER MOD Single : A 34 SER OG : rot 160:sc= -2.16 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.648) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.25 (180deg=-0.464) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.68) USER MOD Single : A 64 MET CE :methyl -171:sc= -0.125 (180deg=-0.199) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 66 HIS : no HE2:sc= -4.13! C(o=-4.1!,f=-8.4!) USER MOD Single : A 70 GLN : amide:sc= -0.0064 K(o=-0.0064,f=-1.1) USER MOD Single : A 71 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= -0.421 (180deg=-0.923) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.063 (180deg=-0.447) USER MOD Single : A 76 CYS SG : rot -118:sc= -2.72! USER MOD Single : A 77 THR OG1 : rot -27:sc= 0.304 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -175:sc= -4! (180deg=-4.1!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 10:sc= 1.16 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.373 -14.446 11.192 1.00 0.00 N ATOM 2 CA GLY A 1 -10.367 -15.116 12.014 1.00 0.00 C ATOM 3 C GLY A 1 -11.745 -14.474 11.841 1.00 0.00 C ATOM 4 O GLY A 1 -12.051 -13.929 10.782 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.912 -15.140 10.570 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.836 -13.716 10.613 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.659 -14.002 11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.417 -16.171 11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.069 -15.069 13.061 1.00 0.00 H new ATOM 8 N SER A 2 -12.539 -14.559 12.898 1.00 0.00 N ATOM 9 CA SER A 2 -13.877 -13.994 12.876 1.00 0.00 C ATOM 10 C SER A 2 -13.860 -12.585 13.473 1.00 0.00 C ATOM 11 O SER A 2 -14.068 -12.413 14.673 1.00 0.00 O ATOM 12 CB SER A 2 -14.863 -14.881 13.638 1.00 0.00 C ATOM 13 OG SER A 2 -16.070 -14.191 13.951 1.00 0.00 O ATOM 0 H SER A 2 -12.281 -15.011 13.775 1.00 0.00 H new ATOM 0 HA SER A 2 -14.207 -13.939 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.094 -15.763 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.397 -15.233 14.559 1.00 0.00 H new ATOM 0 HG SER A 2 -16.674 -14.792 14.436 1.00 0.00 H new ATOM 19 N SER A 3 -13.609 -11.613 12.608 1.00 0.00 N ATOM 20 CA SER A 3 -13.561 -10.225 13.035 1.00 0.00 C ATOM 21 C SER A 3 -12.272 -9.962 13.816 1.00 0.00 C ATOM 22 O SER A 3 -11.468 -9.116 13.427 1.00 0.00 O ATOM 23 CB SER A 3 -14.780 -9.869 13.887 1.00 0.00 C ATOM 24 OG SER A 3 -14.959 -8.460 14.002 1.00 0.00 O ATOM 0 H SER A 3 -13.437 -11.759 11.613 1.00 0.00 H new ATOM 0 HA SER A 3 -13.575 -9.593 12.147 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.672 -10.313 13.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.666 -10.302 14.881 1.00 0.00 H new ATOM 0 HG SER A 3 -15.749 -8.274 14.552 1.00 0.00 H new ATOM 30 N GLY A 4 -12.115 -10.702 14.903 1.00 0.00 N ATOM 31 CA GLY A 4 -10.938 -10.559 15.742 1.00 0.00 C ATOM 32 C GLY A 4 -10.754 -9.106 16.186 1.00 0.00 C ATOM 33 O GLY A 4 -11.674 -8.499 16.732 1.00 0.00 O ATOM 0 H GLY A 4 -12.784 -11.403 15.222 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.031 -11.202 16.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.055 -10.891 15.196 1.00 0.00 H new ATOM 37 N SER A 5 -9.559 -8.591 15.936 1.00 0.00 N ATOM 38 CA SER A 5 -9.243 -7.221 16.303 1.00 0.00 C ATOM 39 C SER A 5 -8.114 -6.689 15.418 1.00 0.00 C ATOM 40 O SER A 5 -7.288 -7.459 14.931 1.00 0.00 O ATOM 41 CB SER A 5 -8.852 -7.123 17.779 1.00 0.00 C ATOM 42 OG SER A 5 -9.406 -5.967 18.402 1.00 0.00 O ATOM 0 H SER A 5 -8.798 -9.098 15.484 1.00 0.00 H new ATOM 0 HA SER A 5 -10.134 -6.612 16.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.192 -8.016 18.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.766 -7.096 17.865 1.00 0.00 H new ATOM 0 HG SER A 5 -9.135 -5.941 19.343 1.00 0.00 H new ATOM 48 N SER A 6 -8.116 -5.377 15.237 1.00 0.00 N ATOM 49 CA SER A 6 -7.102 -4.733 14.419 1.00 0.00 C ATOM 50 C SER A 6 -5.707 -5.145 14.895 1.00 0.00 C ATOM 51 O SER A 6 -5.568 -5.815 15.916 1.00 0.00 O ATOM 52 CB SER A 6 -7.248 -3.210 14.458 1.00 0.00 C ATOM 53 OG SER A 6 -8.594 -2.797 14.239 1.00 0.00 O ATOM 0 H SER A 6 -8.804 -4.742 15.643 1.00 0.00 H new ATOM 0 HA SER A 6 -7.238 -5.057 13.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.907 -2.838 15.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.604 -2.765 13.700 1.00 0.00 H new ATOM 0 HG SER A 6 -8.646 -1.819 14.273 1.00 0.00 H new ATOM 59 N GLY A 7 -4.709 -4.725 14.131 1.00 0.00 N ATOM 60 CA GLY A 7 -3.330 -5.042 14.462 1.00 0.00 C ATOM 61 C GLY A 7 -2.362 -4.336 13.510 1.00 0.00 C ATOM 62 O GLY A 7 -2.560 -4.347 12.296 1.00 0.00 O ATOM 0 H GLY A 7 -4.828 -4.168 13.285 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.120 -4.742 15.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.178 -6.120 14.408 1.00 0.00 H new ATOM 66 N SER A 8 -1.335 -3.739 14.097 1.00 0.00 N ATOM 67 CA SER A 8 -0.335 -3.030 13.317 1.00 0.00 C ATOM 68 C SER A 8 0.865 -3.940 13.052 1.00 0.00 C ATOM 69 O SER A 8 1.048 -4.947 13.735 1.00 0.00 O ATOM 70 CB SER A 8 0.114 -1.752 14.028 1.00 0.00 C ATOM 71 OG SER A 8 1.153 -1.083 13.319 1.00 0.00 O ATOM 0 H SER A 8 -1.174 -3.732 15.104 1.00 0.00 H new ATOM 0 HA SER A 8 -0.783 -2.745 12.365 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.738 -1.081 14.140 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.461 -1.998 15.032 1.00 0.00 H new ATOM 0 HG SER A 8 1.410 -0.271 13.804 1.00 0.00 H new ATOM 77 N VAL A 9 1.654 -3.553 12.060 1.00 0.00 N ATOM 78 CA VAL A 9 2.832 -4.322 11.697 1.00 0.00 C ATOM 79 C VAL A 9 3.982 -3.365 11.379 1.00 0.00 C ATOM 80 O VAL A 9 3.765 -2.170 11.187 1.00 0.00 O ATOM 81 CB VAL A 9 2.504 -5.268 10.540 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.688 -4.552 9.461 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.778 -5.876 9.951 1.00 0.00 C ATOM 0 H VAL A 9 1.500 -2.717 11.496 1.00 0.00 H new ATOM 0 HA VAL A 9 3.151 -4.948 12.530 1.00 0.00 H new ATOM 0 HB VAL A 9 1.896 -6.082 10.935 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.468 -5.247 8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.754 -4.190 9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.259 -3.709 9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.517 -6.544 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.423 -5.080 9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.304 -6.438 10.723 1.00 0.00 H new ATOM 93 N SER A 10 5.181 -3.926 11.333 1.00 0.00 N ATOM 94 CA SER A 10 6.366 -3.137 11.042 1.00 0.00 C ATOM 95 C SER A 10 7.213 -3.838 9.977 1.00 0.00 C ATOM 96 O SER A 10 7.403 -5.052 10.031 1.00 0.00 O ATOM 97 CB SER A 10 7.194 -2.899 12.306 1.00 0.00 C ATOM 98 OG SER A 10 8.311 -2.049 12.060 1.00 0.00 O ATOM 0 H SER A 10 5.358 -4.918 11.492 1.00 0.00 H new ATOM 0 HA SER A 10 6.046 -2.167 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.562 -2.454 13.075 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.545 -3.855 12.695 1.00 0.00 H new ATOM 0 HG SER A 10 8.813 -1.920 12.892 1.00 0.00 H new ATOM 104 N LEU A 11 7.698 -3.043 9.035 1.00 0.00 N ATOM 105 CA LEU A 11 8.520 -3.572 7.960 1.00 0.00 C ATOM 106 C LEU A 11 9.847 -2.811 7.916 1.00 0.00 C ATOM 107 O LEU A 11 9.898 -1.626 8.241 1.00 0.00 O ATOM 108 CB LEU A 11 7.752 -3.547 6.636 1.00 0.00 C ATOM 109 CG LEU A 11 6.323 -4.091 6.680 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.645 -3.959 5.314 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.300 -5.532 7.194 1.00 0.00 C ATOM 0 H LEU A 11 7.538 -2.037 8.994 1.00 0.00 H new ATOM 0 HA LEU A 11 8.759 -4.620 8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.717 -2.518 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.316 -4.121 5.901 1.00 0.00 H new ATOM 0 HG LEU A 11 5.749 -3.489 7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.630 -4.353 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.611 -2.909 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.211 -4.521 4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.272 -5.894 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.894 -6.164 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.718 -5.566 8.200 1.00 0.00 H new ATOM 123 N VAL A 12 10.888 -3.524 7.511 1.00 0.00 N ATOM 124 CA VAL A 12 12.211 -2.930 7.420 1.00 0.00 C ATOM 125 C VAL A 12 12.653 -2.901 5.956 1.00 0.00 C ATOM 126 O VAL A 12 12.981 -3.939 5.382 1.00 0.00 O ATOM 127 CB VAL A 12 13.187 -3.687 8.324 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.230 -5.173 7.962 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.584 -3.067 8.263 1.00 0.00 C ATOM 0 H VAL A 12 10.842 -4.507 7.242 1.00 0.00 H new ATOM 0 HA VAL A 12 12.192 -1.899 7.774 1.00 0.00 H new ATOM 0 HB VAL A 12 12.828 -3.603 9.350 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.931 -5.687 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.237 -5.605 8.081 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.553 -5.286 6.927 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.258 -3.624 8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.955 -3.106 7.239 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.536 -2.029 8.592 1.00 0.00 H new ATOM 139 N GLY A 13 12.647 -1.702 5.393 1.00 0.00 N ATOM 140 CA GLY A 13 13.043 -1.524 4.006 1.00 0.00 C ATOM 141 C GLY A 13 13.139 -0.039 3.649 1.00 0.00 C ATOM 142 O GLY A 13 12.480 0.795 4.268 1.00 0.00 O ATOM 0 H GLY A 13 12.374 -0.844 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.006 -2.006 3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.321 -2.013 3.352 1.00 0.00 H new ATOM 146 N PRO A 14 13.987 0.252 2.627 1.00 0.00 N ATOM 147 CA PRO A 14 14.178 1.622 2.180 1.00 0.00 C ATOM 148 C PRO A 14 12.975 2.106 1.367 1.00 0.00 C ATOM 149 O PRO A 14 12.898 3.279 1.004 1.00 0.00 O ATOM 150 CB PRO A 14 15.467 1.598 1.376 1.00 0.00 C ATOM 151 CG PRO A 14 15.704 0.141 1.011 1.00 0.00 C ATOM 152 CD PRO A 14 14.783 -0.710 1.871 1.00 0.00 C ATOM 0 HA PRO A 14 14.254 2.328 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.381 2.216 0.482 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.298 1.995 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.501 -0.026 -0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.746 -0.131 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.151 -1.352 1.258 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.351 -1.362 2.535 1.00 0.00 H new ATOM 160 N ALA A 15 12.066 1.179 1.105 1.00 0.00 N ATOM 161 CA ALA A 15 10.871 1.496 0.342 1.00 0.00 C ATOM 162 C ALA A 15 10.259 0.203 -0.200 1.00 0.00 C ATOM 163 O ALA A 15 9.061 -0.032 -0.048 1.00 0.00 O ATOM 164 CB ALA A 15 11.224 2.485 -0.771 1.00 0.00 C ATOM 0 H ALA A 15 12.133 0.207 1.408 1.00 0.00 H new ATOM 0 HA ALA A 15 10.125 1.973 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.328 2.723 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.627 3.398 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.969 2.040 -1.431 1.00 0.00 H new ATOM 170 N PRO A 16 11.131 -0.624 -0.836 1.00 0.00 N ATOM 171 CA PRO A 16 10.688 -1.887 -1.401 1.00 0.00 C ATOM 172 C PRO A 16 10.452 -2.926 -0.303 1.00 0.00 C ATOM 173 O PRO A 16 11.298 -3.787 -0.066 1.00 0.00 O ATOM 174 CB PRO A 16 11.786 -2.289 -2.373 1.00 0.00 C ATOM 175 CG PRO A 16 13.011 -1.481 -1.977 1.00 0.00 C ATOM 176 CD PRO A 16 12.556 -0.378 -1.035 1.00 0.00 C ATOM 0 HA PRO A 16 9.730 -1.806 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.988 -3.358 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.494 -2.077 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.748 -2.119 -1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.490 -1.056 -2.859 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.100 -0.414 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.731 0.608 -1.466 1.00 0.00 H new ATOM 184 N TRP A 17 9.298 -2.811 0.337 1.00 0.00 N ATOM 185 CA TRP A 17 8.940 -3.729 1.404 1.00 0.00 C ATOM 186 C TRP A 17 8.544 -5.063 0.767 1.00 0.00 C ATOM 187 O TRP A 17 8.606 -6.107 1.415 1.00 0.00 O ATOM 188 CB TRP A 17 7.839 -3.140 2.289 1.00 0.00 C ATOM 189 CG TRP A 17 7.913 -1.619 2.443 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.359 -0.683 1.661 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.606 -0.893 3.480 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.643 0.589 2.116 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.425 0.457 3.257 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.360 -1.361 4.570 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.968 1.450 4.082 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.896 -0.356 5.385 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.723 1.007 5.174 1.00 0.00 C ATOM 0 H TRP A 17 8.599 -2.096 0.137 1.00 0.00 H new ATOM 0 HA TRP A 17 9.788 -3.897 2.068 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.869 -3.406 1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.896 -3.598 3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.765 -0.897 0.785 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.335 1.465 1.693 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.514 -2.412 4.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.813 2.501 3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.485 -0.661 6.237 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.169 1.721 5.850 1.00 0.00 H new ATOM 208 N GLY A 18 8.146 -4.985 -0.494 1.00 0.00 N ATOM 209 CA GLY A 18 7.740 -6.173 -1.226 1.00 0.00 C ATOM 210 C GLY A 18 6.218 -6.234 -1.372 1.00 0.00 C ATOM 211 O GLY A 18 5.644 -7.316 -1.477 1.00 0.00 O ATOM 0 H GLY A 18 8.096 -4.117 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.204 -6.173 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.095 -7.063 -0.707 1.00 0.00 H new ATOM 215 N PHE A 19 5.608 -5.057 -1.373 1.00 0.00 N ATOM 216 CA PHE A 19 4.164 -4.963 -1.505 1.00 0.00 C ATOM 217 C PHE A 19 3.760 -3.652 -2.181 1.00 0.00 C ATOM 218 O PHE A 19 4.469 -2.652 -2.079 1.00 0.00 O ATOM 219 CB PHE A 19 3.583 -4.994 -0.090 1.00 0.00 C ATOM 220 CG PHE A 19 3.649 -3.650 0.639 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.868 -2.615 0.228 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.488 -3.491 1.698 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.929 -1.368 0.904 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.548 -2.244 2.374 1.00 0.00 C ATOM 225 CZ PHE A 19 3.768 -1.208 1.963 1.00 0.00 C ATOM 0 H PHE A 19 6.088 -4.161 -1.285 1.00 0.00 H new ATOM 0 HA PHE A 19 3.791 -5.785 -2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.543 -5.317 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.120 -5.740 0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.202 -2.742 -0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.108 -4.313 2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.309 -0.546 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.213 -2.118 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.815 -0.259 2.477 1.00 0.00 H new ATOM 235 N ARG A 20 2.621 -3.699 -2.857 1.00 0.00 N ATOM 236 CA ARG A 20 2.113 -2.527 -3.550 1.00 0.00 C ATOM 237 C ARG A 20 0.746 -2.129 -2.989 1.00 0.00 C ATOM 238 O ARG A 20 0.119 -2.902 -2.266 1.00 0.00 O ATOM 239 CB ARG A 20 1.985 -2.788 -5.052 1.00 0.00 C ATOM 240 CG ARG A 20 3.343 -2.675 -5.747 1.00 0.00 C ATOM 241 CD ARG A 20 3.497 -1.315 -6.432 1.00 0.00 C ATOM 242 NE ARG A 20 4.804 -1.241 -7.121 1.00 0.00 N ATOM 243 CZ ARG A 20 5.965 -0.979 -6.505 1.00 0.00 C ATOM 244 NH1 ARG A 20 5.988 -0.765 -5.183 1.00 0.00 N ATOM 245 NH2 ARG A 20 7.103 -0.932 -7.211 1.00 0.00 N ATOM 0 H ARG A 20 2.036 -4.530 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 20 2.823 -1.715 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.570 -3.782 -5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.288 -2.074 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.141 -2.811 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.446 -3.471 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.690 -1.166 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.420 -0.516 -5.694 1.00 0.00 H new ATOM 0 HE ARG A 20 4.823 -1.399 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.122 -0.801 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.872 -0.566 -4.714 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.086 -1.096 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.986 -0.733 -6.742 1.00 0.00 H new ATOM 259 N LEU A 21 0.325 -0.924 -3.344 1.00 0.00 N ATOM 260 CA LEU A 21 -0.956 -0.415 -2.885 1.00 0.00 C ATOM 261 C LEU A 21 -1.783 0.034 -4.092 1.00 0.00 C ATOM 262 O LEU A 21 -1.230 0.365 -5.140 1.00 0.00 O ATOM 263 CB LEU A 21 -0.753 0.681 -1.837 1.00 0.00 C ATOM 264 CG LEU A 21 -0.105 0.240 -0.523 1.00 0.00 C ATOM 265 CD1 LEU A 21 0.181 1.443 0.378 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.959 -0.814 0.183 1.00 0.00 C ATOM 0 H LEU A 21 0.848 -0.286 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.521 -1.201 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.139 1.467 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.723 1.124 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 21 0.854 -0.225 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.641 1.102 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.858 2.127 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.753 1.958 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.476 -1.110 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.943 -0.399 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.068 -1.686 -0.462 1.00 0.00 H new ATOM 278 N GLN A 22 -3.095 0.032 -3.904 1.00 0.00 N ATOM 279 CA GLN A 22 -4.003 0.435 -4.964 1.00 0.00 C ATOM 280 C GLN A 22 -5.323 0.932 -4.371 1.00 0.00 C ATOM 281 O GLN A 22 -5.740 0.478 -3.306 1.00 0.00 O ATOM 282 CB GLN A 22 -4.242 -0.713 -5.947 1.00 0.00 C ATOM 283 CG GLN A 22 -4.884 -1.911 -5.246 1.00 0.00 C ATOM 284 CD GLN A 22 -5.378 -2.942 -6.263 1.00 0.00 C ATOM 285 OE1 GLN A 22 -4.611 -3.672 -6.868 1.00 0.00 O ATOM 286 NE2 GLN A 22 -6.699 -2.960 -6.417 1.00 0.00 N ATOM 0 H GLN A 22 -3.550 -0.242 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.544 1.254 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.886 -0.374 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.296 -1.014 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.161 -2.375 -4.575 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.718 -1.573 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.284 -2.321 -5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.127 -3.613 -7.074 1.00 0.00 H new ATOM 295 N GLY A 23 -5.944 1.859 -5.086 1.00 0.00 N ATOM 296 CA GLY A 23 -7.208 2.423 -4.644 1.00 0.00 C ATOM 297 C GLY A 23 -7.006 3.810 -4.032 1.00 0.00 C ATOM 298 O GLY A 23 -5.978 4.448 -4.257 1.00 0.00 O ATOM 0 H GLY A 23 -5.595 2.233 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.895 2.491 -5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.669 1.762 -3.910 1.00 0.00 H new ATOM 302 N GLY A 24 -8.002 4.237 -3.270 1.00 0.00 N ATOM 303 CA GLY A 24 -7.945 5.537 -2.624 1.00 0.00 C ATOM 304 C GLY A 24 -9.186 6.369 -2.956 1.00 0.00 C ATOM 305 O GLY A 24 -10.120 5.873 -3.584 1.00 0.00 O ATOM 0 H GLY A 24 -8.853 3.706 -3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.868 5.408 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.050 6.068 -2.946 1.00 0.00 H new ATOM 309 N LYS A 25 -9.156 7.619 -2.519 1.00 0.00 N ATOM 310 CA LYS A 25 -10.266 8.524 -2.762 1.00 0.00 C ATOM 311 C LYS A 25 -10.364 8.813 -4.262 1.00 0.00 C ATOM 312 O LYS A 25 -11.438 8.700 -4.850 1.00 0.00 O ATOM 313 CB LYS A 25 -10.131 9.782 -1.901 1.00 0.00 C ATOM 314 CG LYS A 25 -11.387 10.006 -1.057 1.00 0.00 C ATOM 315 CD LYS A 25 -11.122 9.688 0.416 1.00 0.00 C ATOM 316 CE LYS A 25 -10.504 8.297 0.574 1.00 0.00 C ATOM 317 NZ LYS A 25 -11.477 7.364 1.184 1.00 0.00 N ATOM 0 H LYS A 25 -8.380 8.027 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.207 8.061 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.262 9.689 -1.249 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.959 10.648 -2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.716 11.040 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.196 9.377 -1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.453 10.437 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.055 9.741 0.977 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.190 7.919 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.611 8.358 1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.967 6.615 1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.085 7.883 1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.064 6.938 0.438 1.00 0.00 H new ATOM 331 N ASP A 26 -9.228 9.180 -4.837 1.00 0.00 N ATOM 332 CA ASP A 26 -9.173 9.486 -6.256 1.00 0.00 C ATOM 333 C ASP A 26 -9.573 8.245 -7.057 1.00 0.00 C ATOM 334 O ASP A 26 -9.953 8.350 -8.222 1.00 0.00 O ATOM 335 CB ASP A 26 -7.757 9.885 -6.678 1.00 0.00 C ATOM 336 CG ASP A 26 -7.515 9.907 -8.189 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.506 8.805 -8.778 1.00 0.00 O ATOM 338 OD2 ASP A 26 -7.345 11.026 -8.720 1.00 0.00 O ATOM 0 H ASP A 26 -8.339 9.272 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.854 10.314 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.539 10.874 -6.276 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.049 9.193 -6.222 1.00 0.00 H new ATOM 343 N PHE A 27 -9.474 7.099 -6.400 1.00 0.00 N ATOM 344 CA PHE A 27 -9.821 5.839 -7.036 1.00 0.00 C ATOM 345 C PHE A 27 -11.254 5.428 -6.693 1.00 0.00 C ATOM 346 O PHE A 27 -11.834 4.572 -7.359 1.00 0.00 O ATOM 347 CB PHE A 27 -8.856 4.783 -6.492 1.00 0.00 C ATOM 348 CG PHE A 27 -7.449 4.859 -7.089 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.718 5.999 -6.964 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.930 3.786 -7.744 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.413 6.069 -7.517 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.624 3.857 -8.298 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.893 4.997 -8.173 1.00 0.00 C ATOM 0 H PHE A 27 -9.158 7.016 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.749 5.937 -8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.787 4.892 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.269 3.793 -6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.131 6.851 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.510 2.881 -7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.832 6.974 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.211 3.005 -8.819 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.900 5.051 -8.594 1.00 0.00 H new ATOM 363 N ASN A 28 -11.784 6.058 -5.655 1.00 0.00 N ATOM 364 CA ASN A 28 -13.138 5.769 -5.216 1.00 0.00 C ATOM 365 C ASN A 28 -13.184 4.365 -4.608 1.00 0.00 C ATOM 366 O ASN A 28 -14.153 3.633 -4.801 1.00 0.00 O ATOM 367 CB ASN A 28 -14.118 5.808 -6.390 1.00 0.00 C ATOM 368 CG ASN A 28 -15.361 6.628 -6.040 1.00 0.00 C ATOM 369 OD1 ASN A 28 -15.319 7.839 -5.902 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.468 5.903 -5.906 1.00 0.00 N ATOM 0 H ASN A 28 -11.300 6.768 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.423 6.524 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.628 6.239 -7.263 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.411 4.793 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.351 6.358 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.434 4.892 -6.035 1.00 0.00 H new ATOM 377 N MET A 29 -12.124 4.033 -3.887 1.00 0.00 N ATOM 378 CA MET A 29 -12.031 2.730 -3.250 1.00 0.00 C ATOM 379 C MET A 29 -11.061 2.766 -2.067 1.00 0.00 C ATOM 380 O MET A 29 -10.281 3.707 -1.928 1.00 0.00 O ATOM 381 CB MET A 29 -11.554 1.695 -4.271 1.00 0.00 C ATOM 382 CG MET A 29 -10.026 1.614 -4.295 1.00 0.00 C ATOM 383 SD MET A 29 -9.497 0.458 -5.548 1.00 0.00 S ATOM 384 CE MET A 29 -8.793 -0.817 -4.516 1.00 0.00 C ATOM 0 H MET A 29 -11.322 4.643 -3.729 1.00 0.00 H new ATOM 0 HA MET A 29 -13.018 2.457 -2.878 1.00 0.00 H new ATOM 0 HB2 MET A 29 -11.970 0.718 -4.025 1.00 0.00 H new ATOM 0 HB3 MET A 29 -11.924 1.959 -5.262 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.604 2.599 -4.496 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.655 1.301 -3.319 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.994 -1.794 -4.956 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.716 -0.669 -4.438 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.238 -0.768 -3.522 1.00 0.00 H new ATOM 394 N PRO A 30 -11.144 1.702 -1.223 1.00 0.00 N ATOM 395 CA PRO A 30 -10.283 1.604 -0.057 1.00 0.00 C ATOM 396 C PRO A 30 -8.857 1.218 -0.459 1.00 0.00 C ATOM 397 O PRO A 30 -8.646 0.617 -1.511 1.00 0.00 O ATOM 398 CB PRO A 30 -10.948 0.570 0.836 1.00 0.00 C ATOM 399 CG PRO A 30 -11.897 -0.208 -0.061 1.00 0.00 C ATOM 400 CD PRO A 30 -12.056 0.570 -1.357 1.00 0.00 C ATOM 0 HA PRO A 30 -10.174 2.554 0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.207 -0.091 1.287 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.488 1.049 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.503 -1.205 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.863 -0.338 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.801 -0.044 -2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.084 0.904 -1.495 1.00 0.00 H new ATOM 408 N LEU A 31 -7.916 1.580 0.400 1.00 0.00 N ATOM 409 CA LEU A 31 -6.517 1.280 0.148 1.00 0.00 C ATOM 410 C LEU A 31 -6.264 -0.206 0.410 1.00 0.00 C ATOM 411 O LEU A 31 -6.345 -0.662 1.549 1.00 0.00 O ATOM 412 CB LEU A 31 -5.614 2.210 0.961 1.00 0.00 C ATOM 413 CG LEU A 31 -5.440 3.627 0.409 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.228 4.634 1.540 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.312 3.678 -0.624 1.00 0.00 C ATOM 0 H LEU A 31 -8.095 2.079 1.272 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.270 1.467 -0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.016 2.282 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.629 1.749 1.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.359 3.909 -0.104 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.107 5.633 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.092 4.622 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.334 4.366 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.209 4.696 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.377 3.367 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.545 3.007 -1.451 1.00 0.00 H new ATOM 427 N THR A 32 -5.961 -0.920 -0.664 1.00 0.00 N ATOM 428 CA THR A 32 -5.695 -2.345 -0.565 1.00 0.00 C ATOM 429 C THR A 32 -4.294 -2.664 -1.091 1.00 0.00 C ATOM 430 O THR A 32 -3.654 -1.819 -1.714 1.00 0.00 O ATOM 431 CB THR A 32 -6.807 -3.087 -1.310 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.211 -2.175 -2.327 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.062 -3.271 -0.455 1.00 0.00 C ATOM 0 H THR A 32 -5.894 -0.538 -1.607 1.00 0.00 H new ATOM 0 HA THR A 32 -5.702 -2.677 0.473 1.00 0.00 H new ATOM 0 HB THR A 32 -6.441 -4.062 -1.632 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.364 -2.664 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.820 -3.803 -1.031 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.814 -3.846 0.437 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.448 -2.295 -0.161 1.00 0.00 H new ATOM 441 N ILE A 33 -3.859 -3.886 -0.819 1.00 0.00 N ATOM 442 CA ILE A 33 -2.546 -4.327 -1.257 1.00 0.00 C ATOM 443 C ILE A 33 -2.604 -4.694 -2.741 1.00 0.00 C ATOM 444 O ILE A 33 -3.139 -5.741 -3.104 1.00 0.00 O ATOM 445 CB ILE A 33 -2.035 -5.459 -0.363 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.859 -4.981 1.080 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.748 -6.065 -0.927 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.693 -3.996 1.193 1.00 0.00 C ATOM 0 H ILE A 33 -4.393 -4.584 -0.301 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.820 -3.520 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.785 -6.250 -0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.777 -4.504 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.681 -5.837 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.406 -6.867 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.940 -6.466 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.021 -5.294 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.590 -3.672 2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.227 -4.483 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.885 -3.130 0.559 1.00 0.00 H new ATOM 460 N SER A 34 -2.047 -3.813 -3.558 1.00 0.00 N ATOM 461 CA SER A 34 -2.029 -4.032 -4.995 1.00 0.00 C ATOM 462 C SER A 34 -1.530 -5.445 -5.303 1.00 0.00 C ATOM 463 O SER A 34 -2.261 -6.254 -5.873 1.00 0.00 O ATOM 464 CB SER A 34 -1.152 -2.995 -5.699 1.00 0.00 C ATOM 465 OG SER A 34 -0.192 -3.603 -6.559 1.00 0.00 O ATOM 0 H SER A 34 -1.605 -2.946 -3.253 1.00 0.00 H new ATOM 0 HA SER A 34 -3.047 -3.923 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.782 -2.321 -6.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.638 -2.389 -4.953 1.00 0.00 H new ATOM 0 HG SER A 34 0.121 -2.946 -7.216 1.00 0.00 H new ATOM 471 N SER A 35 -0.290 -5.699 -4.912 1.00 0.00 N ATOM 472 CA SER A 35 0.315 -7.001 -5.139 1.00 0.00 C ATOM 473 C SER A 35 1.331 -7.306 -4.037 1.00 0.00 C ATOM 474 O SER A 35 1.603 -6.459 -3.188 1.00 0.00 O ATOM 475 CB SER A 35 0.987 -7.064 -6.513 1.00 0.00 C ATOM 476 OG SER A 35 0.313 -7.955 -7.396 1.00 0.00 O ATOM 0 H SER A 35 0.313 -5.025 -4.439 1.00 0.00 H new ATOM 0 HA SER A 35 -0.474 -7.753 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.009 -6.066 -6.952 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.022 -7.384 -6.396 1.00 0.00 H new ATOM 0 HG SER A 35 0.771 -7.966 -8.262 1.00 0.00 H new ATOM 482 N LEU A 36 1.863 -8.518 -4.086 1.00 0.00 N ATOM 483 CA LEU A 36 2.843 -8.945 -3.101 1.00 0.00 C ATOM 484 C LEU A 36 4.150 -9.304 -3.812 1.00 0.00 C ATOM 485 O LEU A 36 4.144 -9.655 -4.991 1.00 0.00 O ATOM 486 CB LEU A 36 2.279 -10.078 -2.241 1.00 0.00 C ATOM 487 CG LEU A 36 2.111 -9.769 -0.752 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.411 -10.027 0.012 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.597 -8.343 -0.542 1.00 0.00 C ATOM 0 H LEU A 36 1.634 -9.218 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 36 3.068 -8.133 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.308 -10.365 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.934 -10.944 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 36 1.359 -10.446 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.264 -9.799 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.696 -11.073 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.201 -9.392 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.486 -8.150 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.307 -7.634 -0.968 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.631 -8.228 -1.033 1.00 0.00 H new ATOM 501 N LYS A 37 5.239 -9.204 -3.064 1.00 0.00 N ATOM 502 CA LYS A 37 6.551 -9.514 -3.607 1.00 0.00 C ATOM 503 C LYS A 37 6.960 -10.921 -3.168 1.00 0.00 C ATOM 504 O LYS A 37 6.801 -11.283 -2.003 1.00 0.00 O ATOM 505 CB LYS A 37 7.560 -8.431 -3.222 1.00 0.00 C ATOM 506 CG LYS A 37 8.931 -8.713 -3.841 1.00 0.00 C ATOM 507 CD LYS A 37 9.331 -7.604 -4.816 1.00 0.00 C ATOM 508 CE LYS A 37 9.334 -8.117 -6.257 1.00 0.00 C ATOM 509 NZ LYS A 37 7.955 -8.168 -6.792 1.00 0.00 N ATOM 0 H LYS A 37 5.240 -8.913 -2.086 1.00 0.00 H new ATOM 0 HA LYS A 37 6.522 -9.516 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.200 -7.458 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.650 -8.382 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.679 -8.797 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.909 -9.670 -4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.638 -6.768 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.321 -7.227 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.948 -7.466 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.782 -9.110 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.979 -8.047 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.527 -9.087 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.389 -7.406 -6.367 1.00 0.00 H new ATOM 523 N ASP A 38 7.481 -11.677 -4.124 1.00 0.00 N ATOM 524 CA ASP A 38 7.915 -13.036 -3.850 1.00 0.00 C ATOM 525 C ASP A 38 8.807 -13.042 -2.607 1.00 0.00 C ATOM 526 O ASP A 38 9.819 -12.343 -2.561 1.00 0.00 O ATOM 527 CB ASP A 38 8.727 -13.601 -5.017 1.00 0.00 C ATOM 528 CG ASP A 38 9.281 -15.010 -4.798 1.00 0.00 C ATOM 529 OD1 ASP A 38 8.531 -15.832 -4.228 1.00 0.00 O ATOM 530 OD2 ASP A 38 10.441 -15.234 -5.205 1.00 0.00 O ATOM 0 H ASP A 38 7.612 -11.374 -5.089 1.00 0.00 H new ATOM 0 HA ASP A 38 7.026 -13.649 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.098 -13.609 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.559 -12.927 -5.220 1.00 0.00 H new ATOM 535 N GLY A 39 8.400 -13.837 -1.629 1.00 0.00 N ATOM 536 CA GLY A 39 9.149 -13.943 -0.389 1.00 0.00 C ATOM 537 C GLY A 39 9.588 -12.563 0.106 1.00 0.00 C ATOM 538 O GLY A 39 10.761 -12.353 0.410 1.00 0.00 O ATOM 0 H GLY A 39 7.560 -14.414 -1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.535 -14.427 0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.025 -14.574 -0.542 1.00 0.00 H new ATOM 542 N GLY A 40 8.622 -11.659 0.171 1.00 0.00 N ATOM 543 CA GLY A 40 8.894 -10.305 0.623 1.00 0.00 C ATOM 544 C GLY A 40 8.515 -10.132 2.096 1.00 0.00 C ATOM 545 O GLY A 40 8.041 -11.072 2.733 1.00 0.00 O ATOM 0 H GLY A 40 7.650 -11.837 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.951 -10.078 0.487 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.334 -9.595 0.014 1.00 0.00 H new ATOM 549 N LYS A 41 8.738 -8.925 2.593 1.00 0.00 N ATOM 550 CA LYS A 41 8.425 -8.617 3.979 1.00 0.00 C ATOM 551 C LYS A 41 6.919 -8.764 4.202 1.00 0.00 C ATOM 552 O LYS A 41 6.487 -9.529 5.063 1.00 0.00 O ATOM 553 CB LYS A 41 8.972 -7.239 4.358 1.00 0.00 C ATOM 554 CG LYS A 41 10.474 -7.304 4.642 1.00 0.00 C ATOM 555 CD LYS A 41 10.824 -6.544 5.923 1.00 0.00 C ATOM 556 CE LYS A 41 11.090 -7.511 7.078 1.00 0.00 C ATOM 557 NZ LYS A 41 10.247 -7.168 8.246 1.00 0.00 N ATOM 0 H LYS A 41 9.132 -8.148 2.062 1.00 0.00 H new ATOM 0 HA LYS A 41 8.917 -9.324 4.647 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.781 -6.533 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.448 -6.865 5.238 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.785 -8.344 4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.025 -6.881 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.704 -5.924 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.007 -5.873 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.883 -8.533 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.143 -7.472 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 10.639 -7.614 9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.231 -6.136 8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.279 -7.513 8.088 1.00 0.00 H new ATOM 571 N ALA A 42 6.160 -8.018 3.412 1.00 0.00 N ATOM 572 CA ALA A 42 4.711 -8.056 3.513 1.00 0.00 C ATOM 573 C ALA A 42 4.255 -9.504 3.698 1.00 0.00 C ATOM 574 O ALA A 42 3.653 -9.844 4.716 1.00 0.00 O ATOM 575 CB ALA A 42 4.096 -7.405 2.272 1.00 0.00 C ATOM 0 H ALA A 42 6.521 -7.384 2.699 1.00 0.00 H new ATOM 0 HA ALA A 42 4.371 -7.490 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.009 -7.433 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.428 -6.369 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.412 -7.948 1.382 1.00 0.00 H new ATOM 581 N SER A 43 4.558 -10.320 2.699 1.00 0.00 N ATOM 582 CA SER A 43 4.186 -11.724 2.739 1.00 0.00 C ATOM 583 C SER A 43 4.564 -12.326 4.094 1.00 0.00 C ATOM 584 O SER A 43 3.751 -12.999 4.726 1.00 0.00 O ATOM 585 CB SER A 43 4.856 -12.503 1.606 1.00 0.00 C ATOM 586 OG SER A 43 4.472 -13.876 1.603 1.00 0.00 O ATOM 0 H SER A 43 5.057 -10.035 1.856 1.00 0.00 H new ATOM 0 HA SER A 43 3.107 -11.797 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.593 -12.051 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.939 -12.429 1.706 1.00 0.00 H new ATOM 0 HG SER A 43 4.919 -14.339 0.864 1.00 0.00 H new ATOM 592 N GLN A 44 5.798 -12.064 4.499 1.00 0.00 N ATOM 593 CA GLN A 44 6.293 -12.572 5.767 1.00 0.00 C ATOM 594 C GLN A 44 5.395 -12.103 6.914 1.00 0.00 C ATOM 595 O GLN A 44 5.301 -12.768 7.944 1.00 0.00 O ATOM 596 CB GLN A 44 7.745 -12.147 5.998 1.00 0.00 C ATOM 597 CG GLN A 44 8.716 -13.160 5.389 1.00 0.00 C ATOM 598 CD GLN A 44 10.158 -12.852 5.798 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.966 -12.384 5.013 1.00 0.00 O ATOM 600 NE2 GLN A 44 10.433 -13.139 7.067 1.00 0.00 N ATOM 0 H GLN A 44 6.470 -11.507 3.971 1.00 0.00 H new ATOM 0 HA GLN A 44 6.268 -13.661 5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.915 -11.165 5.557 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.935 -12.054 7.067 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.449 -14.166 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.631 -13.143 4.302 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.709 -13.529 7.670 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.368 -12.969 7.437 1.00 0.00 H new ATOM 609 N ALA A 45 4.759 -10.961 6.696 1.00 0.00 N ATOM 610 CA ALA A 45 3.872 -10.396 7.699 1.00 0.00 C ATOM 611 C ALA A 45 2.468 -10.974 7.515 1.00 0.00 C ATOM 612 O ALA A 45 1.508 -10.484 8.109 1.00 0.00 O ATOM 613 CB ALA A 45 3.893 -8.870 7.596 1.00 0.00 C ATOM 0 H ALA A 45 4.840 -10.412 5.840 1.00 0.00 H new ATOM 0 HA ALA A 45 4.208 -10.660 8.702 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.228 -8.445 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.907 -8.508 7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.559 -8.568 6.604 1.00 0.00 H new ATOM 619 N HIS A 46 2.391 -12.007 6.689 1.00 0.00 N ATOM 620 CA HIS A 46 1.119 -12.656 6.419 1.00 0.00 C ATOM 621 C HIS A 46 0.155 -11.653 5.783 1.00 0.00 C ATOM 622 O HIS A 46 -1.043 -11.676 6.061 1.00 0.00 O ATOM 623 CB HIS A 46 0.556 -13.297 7.689 1.00 0.00 C ATOM 624 CG HIS A 46 1.385 -14.443 8.218 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.934 -15.751 8.231 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.640 -14.463 8.752 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.883 -16.515 8.752 1.00 0.00 C ATOM 628 NE2 HIS A 46 2.939 -15.715 9.074 1.00 0.00 N ATOM 0 H HIS A 46 3.189 -12.411 6.198 1.00 0.00 H new ATOM 0 HA HIS A 46 1.265 -13.468 5.706 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.474 -12.534 8.463 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.453 -13.655 7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.282 -13.605 8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.829 -17.584 8.896 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.815 -16.027 9.493 1.00 0.00 H new ATOM 636 N VAL A 47 0.714 -10.795 4.942 1.00 0.00 N ATOM 637 CA VAL A 47 -0.082 -9.785 4.265 1.00 0.00 C ATOM 638 C VAL A 47 -0.503 -10.311 2.891 1.00 0.00 C ATOM 639 O VAL A 47 0.327 -10.453 1.995 1.00 0.00 O ATOM 640 CB VAL A 47 0.697 -8.470 4.189 1.00 0.00 C ATOM 641 CG1 VAL A 47 -0.069 -7.426 3.373 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.021 -7.943 5.588 1.00 0.00 C ATOM 0 H VAL A 47 1.708 -10.778 4.714 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.993 -9.576 4.826 1.00 0.00 H new ATOM 0 HB VAL A 47 1.640 -8.668 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.506 -6.501 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.225 -7.799 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.034 -7.234 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.575 -7.008 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.094 -7.769 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.625 -8.676 6.122 1.00 0.00 H new ATOM 652 N ARG A 48 -1.794 -10.585 2.769 1.00 0.00 N ATOM 653 CA ARG A 48 -2.336 -11.092 1.519 1.00 0.00 C ATOM 654 C ARG A 48 -3.047 -9.972 0.756 1.00 0.00 C ATOM 655 O ARG A 48 -3.386 -8.941 1.334 1.00 0.00 O ATOM 656 CB ARG A 48 -3.322 -12.235 1.770 1.00 0.00 C ATOM 657 CG ARG A 48 -2.599 -13.583 1.812 1.00 0.00 C ATOM 658 CD ARG A 48 -3.010 -14.387 3.048 1.00 0.00 C ATOM 659 NE ARG A 48 -2.769 -13.592 4.272 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.350 -13.838 5.454 1.00 0.00 C ATOM 661 NH1 ARG A 48 -4.210 -14.858 5.579 1.00 0.00 N ATOM 662 NH2 ARG A 48 -3.072 -13.064 6.512 1.00 0.00 N ATOM 0 H ARG A 48 -2.480 -10.466 3.514 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.504 -11.469 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.845 -12.069 2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.077 -12.248 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.829 -14.151 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.521 -13.422 1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.064 -14.658 2.982 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.444 -15.317 3.091 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.120 -12.807 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.422 -15.447 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.652 -15.045 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.418 -12.287 6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.515 -13.252 7.412 1.00 0.00 H new ATOM 676 N ILE A 49 -3.252 -10.214 -0.530 1.00 0.00 N ATOM 677 CA ILE A 49 -3.917 -9.239 -1.378 1.00 0.00 C ATOM 678 C ILE A 49 -5.337 -9.003 -0.860 1.00 0.00 C ATOM 679 O ILE A 49 -6.067 -9.953 -0.584 1.00 0.00 O ATOM 680 CB ILE A 49 -3.862 -9.677 -2.843 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.433 -9.597 -3.386 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.844 -8.871 -3.694 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.433 -9.433 -4.907 1.00 0.00 C ATOM 0 H ILE A 49 -2.969 -11.071 -1.006 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.398 -8.281 -1.336 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.170 -10.721 -2.899 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.912 -8.757 -2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.886 -10.500 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.784 -9.203 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.857 -9.023 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.591 -7.812 -3.637 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.406 -9.379 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.933 -10.286 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.960 -8.517 -5.174 1.00 0.00 H new ATOM 695 N GLY A 50 -5.686 -7.730 -0.743 1.00 0.00 N ATOM 696 CA GLY A 50 -7.005 -7.357 -0.263 1.00 0.00 C ATOM 697 C GLY A 50 -6.916 -6.643 1.087 1.00 0.00 C ATOM 698 O GLY A 50 -7.855 -5.963 1.497 1.00 0.00 O ATOM 0 H GLY A 50 -5.078 -6.944 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.490 -6.707 -0.991 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.626 -8.248 -0.167 1.00 0.00 H new ATOM 702 N ASP A 51 -5.777 -6.822 1.740 1.00 0.00 N ATOM 703 CA ASP A 51 -5.552 -6.203 3.036 1.00 0.00 C ATOM 704 C ASP A 51 -5.804 -4.698 2.928 1.00 0.00 C ATOM 705 O ASP A 51 -5.193 -4.021 2.102 1.00 0.00 O ATOM 706 CB ASP A 51 -4.110 -6.409 3.502 1.00 0.00 C ATOM 707 CG ASP A 51 -3.739 -7.856 3.836 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.521 -8.748 3.441 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.682 -8.037 4.479 1.00 0.00 O ATOM 0 H ASP A 51 -5.000 -7.387 1.396 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.231 -6.664 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.437 -6.048 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.937 -5.793 4.384 1.00 0.00 H new ATOM 714 N VAL A 52 -6.703 -4.218 3.774 1.00 0.00 N ATOM 715 CA VAL A 52 -7.042 -2.805 3.784 1.00 0.00 C ATOM 716 C VAL A 52 -6.193 -2.088 4.835 1.00 0.00 C ATOM 717 O VAL A 52 -6.137 -2.513 5.988 1.00 0.00 O ATOM 718 CB VAL A 52 -8.546 -2.629 4.009 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.910 -1.150 4.148 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.349 -3.289 2.887 1.00 0.00 C ATOM 0 H VAL A 52 -7.207 -4.782 4.458 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.816 -2.352 2.819 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.806 -3.127 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.984 -1.053 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.377 -0.722 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.628 -0.619 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.414 -3.149 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.083 -2.834 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.123 -4.355 2.856 1.00 0.00 H new ATOM 730 N VAL A 53 -5.552 -1.013 4.399 1.00 0.00 N ATOM 731 CA VAL A 53 -4.708 -0.234 5.288 1.00 0.00 C ATOM 732 C VAL A 53 -5.583 0.699 6.128 1.00 0.00 C ATOM 733 O VAL A 53 -6.176 1.640 5.603 1.00 0.00 O ATOM 734 CB VAL A 53 -3.644 0.512 4.480 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.630 1.191 5.402 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.946 -0.428 3.495 1.00 0.00 C ATOM 0 H VAL A 53 -5.601 -0.664 3.442 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.174 -0.888 5.978 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.145 1.290 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.885 1.714 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.144 1.905 6.045 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.137 0.439 6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.194 0.127 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.465 -1.238 4.044 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.681 -0.844 2.806 1.00 0.00 H new ATOM 746 N LEU A 54 -5.637 0.405 7.419 1.00 0.00 N ATOM 747 CA LEU A 54 -6.429 1.206 8.336 1.00 0.00 C ATOM 748 C LEU A 54 -5.688 2.508 8.642 1.00 0.00 C ATOM 749 O LEU A 54 -6.305 3.566 8.758 1.00 0.00 O ATOM 750 CB LEU A 54 -6.787 0.395 9.584 1.00 0.00 C ATOM 751 CG LEU A 54 -7.744 -0.779 9.369 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.680 -1.761 10.541 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.169 -0.285 9.112 1.00 0.00 C ATOM 0 H LEU A 54 -5.145 -0.377 7.851 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.379 1.480 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.865 0.011 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.230 1.070 10.317 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.425 -1.320 8.478 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.370 -2.586 10.363 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.666 -2.150 10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.958 -1.248 11.461 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.829 -1.140 8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.513 0.294 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.181 0.343 8.221 1.00 0.00 H new ATOM 765 N SER A 55 -4.373 2.389 8.763 1.00 0.00 N ATOM 766 CA SER A 55 -3.541 3.544 9.052 1.00 0.00 C ATOM 767 C SER A 55 -2.133 3.327 8.495 1.00 0.00 C ATOM 768 O SER A 55 -1.718 2.191 8.270 1.00 0.00 O ATOM 769 CB SER A 55 -3.480 3.816 10.557 1.00 0.00 C ATOM 770 OG SER A 55 -4.779 3.907 11.136 1.00 0.00 O ATOM 0 H SER A 55 -3.864 1.510 8.666 1.00 0.00 H new ATOM 0 HA SER A 55 -3.985 4.415 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.920 3.020 11.047 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.937 4.744 10.736 1.00 0.00 H new ATOM 0 HG SER A 55 -4.697 4.080 12.097 1.00 0.00 H new ATOM 776 N ILE A 56 -1.436 4.435 8.288 1.00 0.00 N ATOM 777 CA ILE A 56 -0.083 4.380 7.761 1.00 0.00 C ATOM 778 C ILE A 56 0.824 5.282 8.601 1.00 0.00 C ATOM 779 O ILE A 56 0.495 6.441 8.849 1.00 0.00 O ATOM 780 CB ILE A 56 -0.074 4.718 6.269 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.604 3.547 5.438 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.318 5.160 5.814 1.00 0.00 C ATOM 783 CD1 ILE A 56 -0.502 3.847 3.941 1.00 0.00 C ATOM 0 H ILE A 56 -1.783 5.376 8.476 1.00 0.00 H new ATOM 0 HA ILE A 56 0.314 3.368 7.837 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.747 5.559 6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.038 2.645 5.671 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.643 3.349 5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.296 5.394 4.750 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.620 6.045 6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.032 4.356 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.885 2.999 3.373 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.089 4.735 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.541 4.021 3.675 1.00 0.00 H new ATOM 795 N ASP A 57 1.948 4.716 9.015 1.00 0.00 N ATOM 796 CA ASP A 57 2.905 5.455 9.822 1.00 0.00 C ATOM 797 C ASP A 57 2.197 6.020 11.054 1.00 0.00 C ATOM 798 O ASP A 57 2.592 7.060 11.579 1.00 0.00 O ATOM 799 CB ASP A 57 3.498 6.627 9.038 1.00 0.00 C ATOM 800 CG ASP A 57 4.778 7.219 9.630 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.343 6.563 10.531 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.163 8.315 9.168 1.00 0.00 O ATOM 0 H ASP A 57 2.218 3.755 8.807 1.00 0.00 H new ATOM 0 HA ASP A 57 3.705 4.771 10.108 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.706 6.296 8.020 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.748 7.415 8.970 1.00 0.00 H new ATOM 807 N GLY A 58 1.162 5.310 11.481 1.00 0.00 N ATOM 808 CA GLY A 58 0.395 5.729 12.642 1.00 0.00 C ATOM 809 C GLY A 58 -0.693 6.729 12.249 1.00 0.00 C ATOM 810 O GLY A 58 -1.433 7.215 13.103 1.00 0.00 O ATOM 0 H GLY A 58 0.837 4.448 11.044 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.060 4.859 13.115 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.060 6.181 13.378 1.00 0.00 H new ATOM 814 N ILE A 59 -0.757 7.008 10.955 1.00 0.00 N ATOM 815 CA ILE A 59 -1.742 7.942 10.438 1.00 0.00 C ATOM 816 C ILE A 59 -2.970 7.166 9.958 1.00 0.00 C ATOM 817 O ILE A 59 -2.851 6.244 9.152 1.00 0.00 O ATOM 818 CB ILE A 59 -1.121 8.836 9.364 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.259 9.335 9.796 1.00 0.00 C ATOM 820 CG2 ILE A 59 -2.059 9.990 9.001 1.00 0.00 C ATOM 821 CD1 ILE A 59 0.138 10.449 10.838 1.00 0.00 C ATOM 0 H ILE A 59 -0.142 6.603 10.249 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.078 8.617 11.225 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.980 8.239 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.836 8.507 10.209 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.805 9.703 8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.593 10.610 8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.999 9.589 8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.254 10.593 9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.133 10.786 11.128 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.419 11.285 10.414 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.387 10.071 11.715 1.00 0.00 H new ATOM 833 N SER A 60 -4.123 7.568 10.472 1.00 0.00 N ATOM 834 CA SER A 60 -5.372 6.922 10.106 1.00 0.00 C ATOM 835 C SER A 60 -5.680 7.178 8.629 1.00 0.00 C ATOM 836 O SER A 60 -5.763 8.327 8.199 1.00 0.00 O ATOM 837 CB SER A 60 -6.525 7.416 10.982 1.00 0.00 C ATOM 838 OG SER A 60 -7.086 6.368 11.768 1.00 0.00 O ATOM 0 H SER A 60 -4.219 8.333 11.139 1.00 0.00 H new ATOM 0 HA SER A 60 -5.263 5.850 10.267 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.167 8.210 11.638 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.300 7.850 10.350 1.00 0.00 H new ATOM 0 HG SER A 60 -7.818 6.724 12.314 1.00 0.00 H new ATOM 844 N ALA A 61 -5.841 6.088 7.894 1.00 0.00 N ATOM 845 CA ALA A 61 -6.138 6.179 6.474 1.00 0.00 C ATOM 846 C ALA A 61 -7.654 6.232 6.277 1.00 0.00 C ATOM 847 O ALA A 61 -8.192 5.572 5.389 1.00 0.00 O ATOM 848 CB ALA A 61 -5.495 5.000 5.741 1.00 0.00 C ATOM 0 H ALA A 61 -5.771 5.137 8.255 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.719 7.092 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.718 5.068 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.415 5.025 5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.893 4.065 6.136 1.00 0.00 H new ATOM 854 N GLN A 62 -8.301 7.024 7.120 1.00 0.00 N ATOM 855 CA GLN A 62 -9.745 7.171 7.049 1.00 0.00 C ATOM 856 C GLN A 62 -10.115 8.338 6.130 1.00 0.00 C ATOM 857 O GLN A 62 -10.722 9.312 6.572 1.00 0.00 O ATOM 858 CB GLN A 62 -10.346 7.360 8.443 1.00 0.00 C ATOM 859 CG GLN A 62 -10.997 6.067 8.939 1.00 0.00 C ATOM 860 CD GLN A 62 -12.216 5.705 8.088 1.00 0.00 C ATOM 861 OE1 GLN A 62 -13.002 6.551 7.692 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.328 4.406 7.828 1.00 0.00 N ATOM 0 H GLN A 62 -7.852 7.570 7.855 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.164 6.256 6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.567 7.670 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.088 8.159 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.271 5.254 8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.298 6.183 9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.635 3.752 8.191 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.107 4.064 7.266 1.00 0.00 H new ATOM 871 N GLY A 63 -9.734 8.200 4.869 1.00 0.00 N ATOM 872 CA GLY A 63 -10.019 9.230 3.884 1.00 0.00 C ATOM 873 C GLY A 63 -8.727 9.775 3.273 1.00 0.00 C ATOM 874 O GLY A 63 -8.580 10.984 3.100 1.00 0.00 O ATOM 0 H GLY A 63 -9.230 7.391 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.653 8.821 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.575 10.042 4.352 1.00 0.00 H new ATOM 878 N MET A 64 -7.823 8.858 2.963 1.00 0.00 N ATOM 879 CA MET A 64 -6.548 9.232 2.374 1.00 0.00 C ATOM 880 C MET A 64 -6.414 8.673 0.956 1.00 0.00 C ATOM 881 O MET A 64 -6.770 7.524 0.702 1.00 0.00 O ATOM 882 CB MET A 64 -5.408 8.698 3.244 1.00 0.00 C ATOM 883 CG MET A 64 -5.229 9.553 4.500 1.00 0.00 C ATOM 884 SD MET A 64 -3.494 9.844 4.799 1.00 0.00 S ATOM 885 CE MET A 64 -2.936 8.166 5.046 1.00 0.00 C ATOM 0 H MET A 64 -7.948 7.856 3.109 1.00 0.00 H new ATOM 0 HA MET A 64 -6.498 10.320 2.321 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.616 7.667 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.481 8.690 2.670 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.750 10.503 4.380 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.675 9.051 5.358 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.906 8.174 5.402 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.571 7.676 5.784 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.990 7.622 4.103 1.00 0.00 H new ATOM 895 N THR A 65 -5.898 9.513 0.070 1.00 0.00 N ATOM 896 CA THR A 65 -5.712 9.117 -1.315 1.00 0.00 C ATOM 897 C THR A 65 -4.434 8.291 -1.467 1.00 0.00 C ATOM 898 O THR A 65 -3.585 8.285 -0.577 1.00 0.00 O ATOM 899 CB THR A 65 -5.722 10.383 -2.174 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.952 11.318 -1.423 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.109 11.025 -2.255 1.00 0.00 C ATOM 0 H THR A 65 -5.603 10.466 0.285 1.00 0.00 H new ATOM 0 HA THR A 65 -6.522 8.470 -1.653 1.00 0.00 H new ATOM 0 HB THR A 65 -5.373 10.142 -3.178 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.905 12.168 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.060 11.919 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.813 10.317 -2.693 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.443 11.296 -1.254 1.00 0.00 H new ATOM 909 N HIS A 66 -4.337 7.612 -2.601 1.00 0.00 N ATOM 910 CA HIS A 66 -3.176 6.784 -2.881 1.00 0.00 C ATOM 911 C HIS A 66 -1.900 7.606 -2.689 1.00 0.00 C ATOM 912 O HIS A 66 -1.030 7.234 -1.903 1.00 0.00 O ATOM 913 CB HIS A 66 -3.276 6.162 -4.275 1.00 0.00 C ATOM 914 CG HIS A 66 -2.595 4.820 -4.400 1.00 0.00 C ATOM 915 ND1 HIS A 66 -1.995 4.389 -5.570 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.424 3.820 -3.488 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.490 3.182 -5.362 1.00 0.00 C ATOM 918 NE2 HIS A 66 -1.757 2.831 -4.071 1.00 0.00 N ATOM 0 H HIS A 66 -5.044 7.618 -3.337 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.140 5.953 -2.177 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.328 6.050 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.839 6.849 -5.000 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.949 4.912 -6.445 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.772 3.831 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -0.960 2.582 -6.087 1.00 0.00 H new ATOM 926 N LEU A 67 -1.830 8.709 -3.420 1.00 0.00 N ATOM 927 CA LEU A 67 -0.675 9.587 -3.339 1.00 0.00 C ATOM 928 C LEU A 67 -0.325 9.830 -1.870 1.00 0.00 C ATOM 929 O LEU A 67 0.825 9.666 -1.466 1.00 0.00 O ATOM 930 CB LEU A 67 -0.922 10.872 -4.133 1.00 0.00 C ATOM 931 CG LEU A 67 -0.014 12.056 -3.793 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.459 11.688 -3.979 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.403 13.294 -4.602 1.00 0.00 C ATOM 0 H LEU A 67 -2.554 9.014 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 67 0.193 9.116 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.811 10.647 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.957 11.177 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.153 12.303 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.083 12.547 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.711 10.855 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.634 11.400 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.257 14.121 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.311 13.077 -5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.434 13.568 -4.376 1.00 0.00 H new ATOM 945 N GLU A 68 -1.339 10.217 -1.110 1.00 0.00 N ATOM 946 CA GLU A 68 -1.153 10.484 0.306 1.00 0.00 C ATOM 947 C GLU A 68 -0.443 9.308 0.980 1.00 0.00 C ATOM 948 O GLU A 68 0.711 9.427 1.390 1.00 0.00 O ATOM 949 CB GLU A 68 -2.490 10.779 0.989 1.00 0.00 C ATOM 950 CG GLU A 68 -2.913 12.232 0.760 1.00 0.00 C ATOM 951 CD GLU A 68 -2.869 13.028 2.067 1.00 0.00 C ATOM 952 OE1 GLU A 68 -3.764 12.790 2.906 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.942 13.856 2.196 1.00 0.00 O ATOM 0 H GLU A 68 -2.292 10.352 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.526 11.370 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.256 10.108 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.407 10.585 2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.254 12.695 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.921 12.260 0.346 1.00 0.00 H new ATOM 960 N ALA A 69 -1.161 8.198 1.072 1.00 0.00 N ATOM 961 CA ALA A 69 -0.613 7.002 1.689 1.00 0.00 C ATOM 962 C ALA A 69 0.783 6.736 1.123 1.00 0.00 C ATOM 963 O ALA A 69 1.711 6.429 1.871 1.00 0.00 O ATOM 964 CB ALA A 69 -1.568 5.828 1.462 1.00 0.00 C ATOM 0 H ALA A 69 -2.117 8.102 0.730 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.512 7.137 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.158 4.930 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.536 6.055 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.691 5.661 0.392 1.00 0.00 H new ATOM 970 N GLN A 70 0.889 6.862 -0.191 1.00 0.00 N ATOM 971 CA GLN A 70 2.156 6.639 -0.865 1.00 0.00 C ATOM 972 C GLN A 70 3.221 7.593 -0.322 1.00 0.00 C ATOM 973 O GLN A 70 4.370 7.200 -0.126 1.00 0.00 O ATOM 974 CB GLN A 70 2.006 6.790 -2.380 1.00 0.00 C ATOM 975 CG GLN A 70 1.224 5.616 -2.974 1.00 0.00 C ATOM 976 CD GLN A 70 2.170 4.502 -3.429 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.935 3.947 -2.657 1.00 0.00 O ATOM 978 NE2 GLN A 70 2.075 4.207 -4.723 1.00 0.00 N ATOM 0 H GLN A 70 0.117 7.116 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 70 2.476 5.616 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.493 7.725 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.991 6.846 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.527 5.226 -2.232 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.629 5.961 -3.820 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.413 4.711 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.664 3.477 -5.124 1.00 0.00 H new ATOM 987 N ASN A 71 2.802 8.829 -0.094 1.00 0.00 N ATOM 988 CA ASN A 71 3.706 9.843 0.422 1.00 0.00 C ATOM 989 C ASN A 71 4.306 9.359 1.743 1.00 0.00 C ATOM 990 O ASN A 71 5.523 9.387 1.924 1.00 0.00 O ATOM 991 CB ASN A 71 2.966 11.155 0.692 1.00 0.00 C ATOM 992 CG ASN A 71 3.536 12.290 -0.161 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.735 12.425 -0.340 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.611 13.097 -0.675 1.00 0.00 N ATOM 0 H ASN A 71 1.848 9.151 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 71 4.482 10.014 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.905 11.030 0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 71 3.048 11.412 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.890 13.886 -1.259 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.623 12.927 -0.485 1.00 0.00 H new ATOM 1001 N LYS A 72 3.426 8.926 2.634 1.00 0.00 N ATOM 1002 CA LYS A 72 3.854 8.437 3.933 1.00 0.00 C ATOM 1003 C LYS A 72 4.920 7.357 3.741 1.00 0.00 C ATOM 1004 O LYS A 72 6.038 7.488 4.236 1.00 0.00 O ATOM 1005 CB LYS A 72 2.649 7.973 4.754 1.00 0.00 C ATOM 1006 CG LYS A 72 1.813 9.165 5.224 1.00 0.00 C ATOM 1007 CD LYS A 72 2.263 9.639 6.608 1.00 0.00 C ATOM 1008 CE LYS A 72 1.546 10.931 7.005 1.00 0.00 C ATOM 1009 NZ LYS A 72 2.203 11.548 8.179 1.00 0.00 N ATOM 0 H LYS A 72 2.418 8.904 2.481 1.00 0.00 H new ATOM 0 HA LYS A 72 4.314 9.240 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.031 7.305 4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.991 7.401 5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.904 9.982 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.760 8.885 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.058 8.864 7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.341 9.802 6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.553 11.629 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.502 10.719 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.498 12.071 8.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.629 10.805 8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.945 12.202 7.858 1.00 0.00 H new ATOM 1023 N ILE A 73 4.536 6.313 3.020 1.00 0.00 N ATOM 1024 CA ILE A 73 5.444 5.211 2.756 1.00 0.00 C ATOM 1025 C ILE A 73 6.814 5.768 2.362 1.00 0.00 C ATOM 1026 O ILE A 73 7.840 5.325 2.877 1.00 0.00 O ATOM 1027 CB ILE A 73 4.846 4.259 1.718 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.667 3.480 2.304 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.917 3.331 1.142 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.528 3.363 1.289 1.00 0.00 C ATOM 0 H ILE A 73 3.608 6.208 2.611 1.00 0.00 H new ATOM 0 HA ILE A 73 5.588 4.613 3.656 1.00 0.00 H new ATOM 0 HB ILE A 73 4.459 4.855 0.891 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.997 2.485 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.307 3.980 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.465 2.665 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.694 3.926 0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.356 2.740 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.703 2.805 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.185 4.359 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.884 2.841 0.401 1.00 0.00 H new ATOM 1042 N LYS A 74 6.786 6.730 1.452 1.00 0.00 N ATOM 1043 CA LYS A 74 8.013 7.353 0.983 1.00 0.00 C ATOM 1044 C LYS A 74 8.729 8.011 2.163 1.00 0.00 C ATOM 1045 O LYS A 74 9.955 7.964 2.255 1.00 0.00 O ATOM 1046 CB LYS A 74 7.719 8.313 -0.172 1.00 0.00 C ATOM 1047 CG LYS A 74 8.331 7.803 -1.478 1.00 0.00 C ATOM 1048 CD LYS A 74 8.273 8.877 -2.566 1.00 0.00 C ATOM 1049 CE LYS A 74 8.797 8.336 -3.898 1.00 0.00 C ATOM 1050 NZ LYS A 74 7.954 7.215 -4.371 1.00 0.00 N ATOM 0 H LYS A 74 5.933 7.094 1.027 1.00 0.00 H new ATOM 0 HA LYS A 74 8.691 6.602 0.578 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.641 8.425 -0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.119 9.300 0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.366 7.508 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.797 6.913 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.246 9.221 -2.688 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.865 9.740 -2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.805 9.132 -4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.827 7.999 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.107 7.071 -5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.209 6.348 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.953 7.437 -4.199 1.00 0.00 H new ATOM 1064 N ALA A 75 7.934 8.611 3.037 1.00 0.00 N ATOM 1065 CA ALA A 75 8.477 9.279 4.208 1.00 0.00 C ATOM 1066 C ALA A 75 9.275 8.272 5.039 1.00 0.00 C ATOM 1067 O ALA A 75 10.402 8.552 5.444 1.00 0.00 O ATOM 1068 CB ALA A 75 7.338 9.920 5.004 1.00 0.00 C ATOM 0 H ALA A 75 6.918 8.649 2.958 1.00 0.00 H new ATOM 0 HA ALA A 75 9.158 10.077 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.745 10.421 5.882 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.821 10.647 4.378 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.635 9.149 5.319 1.00 0.00 H new ATOM 1074 N CYS A 76 8.659 7.122 5.269 1.00 0.00 N ATOM 1075 CA CYS A 76 9.297 6.073 6.045 1.00 0.00 C ATOM 1076 C CYS A 76 10.613 5.700 5.358 1.00 0.00 C ATOM 1077 O CYS A 76 10.610 5.031 4.326 1.00 0.00 O ATOM 1078 CB CYS A 76 8.381 4.860 6.219 1.00 0.00 C ATOM 1079 SG CYS A 76 7.066 5.239 7.434 1.00 0.00 S ATOM 0 H CYS A 76 7.724 6.894 4.931 1.00 0.00 H new ATOM 0 HA CYS A 76 9.503 6.437 7.052 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.936 4.590 5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.961 4.001 6.555 1.00 0.00 H new ATOM 0 HG CYS A 76 7.165 4.431 8.447 1.00 0.00 H new ATOM 1085 N THR A 77 11.705 6.150 5.958 1.00 0.00 N ATOM 1086 CA THR A 77 13.024 5.872 5.416 1.00 0.00 C ATOM 1087 C THR A 77 13.669 4.700 6.158 1.00 0.00 C ATOM 1088 O THR A 77 14.688 4.169 5.720 1.00 0.00 O ATOM 1089 CB THR A 77 13.845 7.162 5.486 1.00 0.00 C ATOM 1090 OG1 THR A 77 15.071 6.828 4.841 1.00 0.00 O ATOM 1091 CG2 THR A 77 14.260 7.515 6.916 1.00 0.00 C ATOM 0 H THR A 77 11.703 6.705 6.814 1.00 0.00 H new ATOM 0 HA THR A 77 12.966 5.563 4.372 1.00 0.00 H new ATOM 0 HB THR A 77 13.267 7.984 5.063 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.233 5.865 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.840 8.438 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.370 7.650 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.866 6.709 7.328 1.00 0.00 H new ATOM 1099 N GLY A 78 13.049 4.332 7.270 1.00 0.00 N ATOM 1100 CA GLY A 78 13.550 3.232 8.077 1.00 0.00 C ATOM 1101 C GLY A 78 12.631 2.014 7.975 1.00 0.00 C ATOM 1102 O GLY A 78 12.923 1.071 7.242 1.00 0.00 O ATOM 0 H GLY A 78 12.205 4.776 7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.554 2.963 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.629 3.546 9.118 1.00 0.00 H new ATOM 1106 N SER A 79 11.538 2.074 8.722 1.00 0.00 N ATOM 1107 CA SER A 79 10.573 0.987 8.725 1.00 0.00 C ATOM 1108 C SER A 79 9.176 1.526 8.411 1.00 0.00 C ATOM 1109 O SER A 79 8.931 2.727 8.520 1.00 0.00 O ATOM 1110 CB SER A 79 10.570 0.257 10.070 1.00 0.00 C ATOM 1111 OG SER A 79 10.877 1.132 11.152 1.00 0.00 O ATOM 0 H SER A 79 11.299 2.858 9.329 1.00 0.00 H new ATOM 0 HA SER A 79 10.861 0.272 7.954 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.592 -0.195 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.296 -0.556 10.043 1.00 0.00 H new ATOM 0 HG SER A 79 10.864 0.629 11.993 1.00 0.00 H new ATOM 1117 N LEU A 80 8.297 0.613 8.027 1.00 0.00 N ATOM 1118 CA LEU A 80 6.931 0.981 7.696 1.00 0.00 C ATOM 1119 C LEU A 80 5.985 0.431 8.765 1.00 0.00 C ATOM 1120 O LEU A 80 5.943 -0.776 8.999 1.00 0.00 O ATOM 1121 CB LEU A 80 6.583 0.530 6.276 1.00 0.00 C ATOM 1122 CG LEU A 80 5.571 1.397 5.525 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.118 2.809 5.301 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.145 0.733 4.214 1.00 0.00 C ATOM 0 H LEU A 80 8.504 -0.382 7.938 1.00 0.00 H new ATOM 0 HA LEU A 80 6.818 2.065 7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.503 0.493 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.195 -0.487 6.324 1.00 0.00 H new ATOM 0 HG LEU A 80 4.678 1.491 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.379 3.405 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.330 3.274 6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.035 2.755 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.425 1.370 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.019 0.587 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.687 -0.233 4.427 1.00 0.00 H new ATOM 1136 N ASN A 81 5.249 1.342 9.384 1.00 0.00 N ATOM 1137 CA ASN A 81 4.307 0.962 10.423 1.00 0.00 C ATOM 1138 C ASN A 81 2.887 1.304 9.967 1.00 0.00 C ATOM 1139 O ASN A 81 2.497 2.471 9.961 1.00 0.00 O ATOM 1140 CB ASN A 81 4.582 1.723 11.721 1.00 0.00 C ATOM 1141 CG ASN A 81 5.292 0.830 12.741 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.722 0.393 13.726 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.566 0.583 12.449 1.00 0.00 N ATOM 0 H ASN A 81 5.286 2.342 9.186 1.00 0.00 H new ATOM 0 HA ASN A 81 4.416 -0.108 10.602 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.195 2.599 11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.643 2.085 12.140 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.126 -0.004 13.067 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.983 0.981 11.607 1.00 0.00 H new ATOM 1150 N MET A 82 2.153 0.265 9.596 1.00 0.00 N ATOM 1151 CA MET A 82 0.785 0.441 9.139 1.00 0.00 C ATOM 1152 C MET A 82 -0.136 -0.622 9.742 1.00 0.00 C ATOM 1153 O MET A 82 0.321 -1.698 10.126 1.00 0.00 O ATOM 1154 CB MET A 82 0.740 0.349 7.613 1.00 0.00 C ATOM 1155 CG MET A 82 1.943 1.056 6.985 1.00 0.00 C ATOM 1156 SD MET A 82 1.858 0.942 5.206 1.00 0.00 S ATOM 1157 CE MET A 82 2.248 -0.786 4.987 1.00 0.00 C ATOM 0 H MET A 82 2.480 -0.701 9.603 1.00 0.00 H new ATOM 0 HA MET A 82 0.438 1.422 9.463 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.729 -0.698 7.308 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.183 0.798 7.245 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.960 2.102 7.290 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.868 0.604 7.343 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.326 -1.009 3.923 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.197 -1.010 5.475 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.460 -1.396 5.429 1.00 0.00 H new ATOM 1167 N THR A 83 -1.415 -0.284 9.807 1.00 0.00 N ATOM 1168 CA THR A 83 -2.403 -1.196 10.357 1.00 0.00 C ATOM 1169 C THR A 83 -3.225 -1.833 9.234 1.00 0.00 C ATOM 1170 O THR A 83 -3.488 -1.196 8.215 1.00 0.00 O ATOM 1171 CB THR A 83 -3.252 -0.421 11.367 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.314 0.412 12.041 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.814 -1.319 12.471 1.00 0.00 C ATOM 0 H THR A 83 -1.790 0.609 9.488 1.00 0.00 H new ATOM 0 HA THR A 83 -1.927 -2.026 10.880 1.00 0.00 H new ATOM 0 HB THR A 83 -4.074 0.073 10.848 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.780 0.951 12.714 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.408 -0.719 13.160 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.442 -2.091 12.027 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.992 -1.787 13.013 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.608 -3.081 9.459 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.394 -3.810 8.478 1.00 0.00 C ATOM 1183 C LEU A 84 -5.769 -4.129 9.069 1.00 0.00 C ATOM 1184 O LEU A 84 -5.953 -4.079 10.284 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.633 -5.045 7.991 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.206 -4.800 7.496 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.576 -6.095 6.979 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.173 -3.688 6.445 1.00 0.00 C ATOM 0 H LEU A 84 -3.389 -3.606 10.306 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.561 -3.197 7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.595 -5.769 8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.203 -5.504 7.183 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.605 -4.463 8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.562 -5.894 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.546 -6.831 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.171 -6.484 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.147 -3.534 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.793 -3.972 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.555 -2.765 6.880 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.699 -4.451 8.182 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.051 -4.778 8.601 1.00 0.00 C ATOM 1202 C GLN A 85 -8.328 -6.267 8.386 1.00 0.00 C ATOM 1203 O GLN A 85 -8.268 -6.758 7.260 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.078 -3.918 7.860 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.480 -4.519 7.973 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.501 -3.678 7.204 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -12.150 -2.796 7.743 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.606 -3.998 5.917 1.00 0.00 N ATOM 0 H GLN A 85 -6.543 -4.492 7.175 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.143 -4.561 9.665 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.077 -2.909 8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.798 -3.835 6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.475 -5.537 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.770 -4.580 9.022 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.033 -4.747 5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.260 -3.494 5.318 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.624 -6.946 9.485 1.00 0.00 N ATOM 1218 CA ARG A 86 -8.909 -8.369 9.432 1.00 0.00 C ATOM 1219 C ARG A 86 -10.336 -8.606 8.934 1.00 0.00 C ATOM 1220 O ARG A 86 -11.297 -8.154 9.556 1.00 0.00 O ATOM 1221 CB ARG A 86 -8.742 -9.017 10.808 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.279 -9.383 11.068 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.379 -8.150 10.964 1.00 0.00 C ATOM 1224 NE ARG A 86 -4.988 -8.507 11.321 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.543 -8.628 12.580 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -5.377 -8.420 13.608 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.264 -8.956 12.810 1.00 0.00 N ATOM 0 H ARG A 86 -8.672 -6.536 10.418 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.199 -8.823 8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.092 -8.333 11.581 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.361 -9.912 10.870 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.182 -9.826 12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.955 -10.136 10.349 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.412 -7.750 9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.744 -7.366 11.628 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.327 -8.671 10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.350 -8.170 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.039 -8.512 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.629 -9.114 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.925 -9.048 13.768 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.430 -9.314 7.819 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.724 -9.617 7.231 1.00 0.00 C ATOM 1243 C ALA A 87 -11.649 -10.964 6.510 1.00 0.00 C ATOM 1244 O ALA A 87 -11.528 -11.012 5.287 1.00 0.00 O ATOM 1245 CB ALA A 87 -12.139 -8.478 6.297 1.00 0.00 C ATOM 0 H ALA A 87 -9.631 -9.687 7.306 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.487 -9.699 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.110 -8.705 5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.206 -7.549 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.397 -8.368 5.506 1.00 0.00 H new ATOM 1251 N SER A 88 -11.725 -12.026 7.299 1.00 0.00 N ATOM 1252 CA SER A 88 -11.668 -13.371 6.751 1.00 0.00 C ATOM 1253 C SER A 88 -13.080 -13.869 6.439 1.00 0.00 C ATOM 1254 O SER A 88 -14.064 -13.234 6.816 1.00 0.00 O ATOM 1255 CB SER A 88 -10.968 -14.329 7.717 1.00 0.00 C ATOM 1256 OG SER A 88 -9.746 -14.829 7.181 1.00 0.00 O ATOM 0 H SER A 88 -11.826 -11.982 8.313 1.00 0.00 H new ATOM 0 HA SER A 88 -11.089 -13.341 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.768 -13.814 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.632 -15.163 7.945 1.00 0.00 H new ATOM 0 HG SER A 88 -9.329 -15.435 7.828 1.00 0.00 H new ATOM 1262 N ALA A 89 -13.135 -15.001 5.753 1.00 0.00 N ATOM 1263 CA ALA A 89 -14.411 -15.592 5.385 1.00 0.00 C ATOM 1264 C ALA A 89 -15.292 -15.707 6.630 1.00 0.00 C ATOM 1265 O ALA A 89 -14.802 -16.016 7.716 1.00 0.00 O ATOM 1266 CB ALA A 89 -14.172 -16.945 4.712 1.00 0.00 C ATOM 0 H ALA A 89 -12.317 -15.525 5.442 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.935 -14.960 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.129 -17.388 4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.566 -16.804 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.651 -17.608 5.403 1.00 0.00 H new ATOM 1272 N ALA A 90 -16.578 -15.454 6.432 1.00 0.00 N ATOM 1273 CA ALA A 90 -17.532 -15.525 7.526 1.00 0.00 C ATOM 1274 C ALA A 90 -18.416 -16.760 7.345 1.00 0.00 C ATOM 1275 O ALA A 90 -19.339 -16.754 6.532 1.00 0.00 O ATOM 1276 CB ALA A 90 -18.344 -14.229 7.580 1.00 0.00 C ATOM 0 H ALA A 90 -16.981 -15.200 5.530 1.00 0.00 H new ATOM 0 HA ALA A 90 -17.016 -15.626 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -19.060 -14.282 8.400 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -17.672 -13.385 7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -18.879 -14.095 6.640 1.00 0.00 H new ATOM 1282 N ALA A 91 -18.103 -17.791 8.118 1.00 0.00 N ATOM 1283 CA ALA A 91 -18.858 -19.030 8.053 1.00 0.00 C ATOM 1284 C ALA A 91 -19.426 -19.349 9.438 1.00 0.00 C ATOM 1285 O ALA A 91 -18.970 -18.803 10.441 1.00 0.00 O ATOM 1286 CB ALA A 91 -17.960 -20.148 7.520 1.00 0.00 C ATOM 0 H ALA A 91 -17.337 -17.793 8.792 1.00 0.00 H new ATOM 0 HA ALA A 91 -19.699 -18.932 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -18.527 -21.078 7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -17.606 -19.886 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -17.107 -20.278 8.186 1.00 0.00 H new ATOM 1292 N LYS A 92 -20.414 -20.232 9.448 1.00 0.00 N ATOM 1293 CA LYS A 92 -21.049 -20.630 10.693 1.00 0.00 C ATOM 1294 C LYS A 92 -20.816 -22.125 10.924 1.00 0.00 C ATOM 1295 O LYS A 92 -20.356 -22.831 10.028 1.00 0.00 O ATOM 1296 CB LYS A 92 -22.526 -20.231 10.692 1.00 0.00 C ATOM 1297 CG LYS A 92 -22.688 -18.729 10.932 1.00 0.00 C ATOM 1298 CD LYS A 92 -22.528 -17.945 9.627 1.00 0.00 C ATOM 1299 CE LYS A 92 -23.805 -18.013 8.787 1.00 0.00 C ATOM 1300 NZ LYS A 92 -23.478 -17.984 7.344 1.00 0.00 N ATOM 0 H LYS A 92 -20.790 -20.683 8.614 1.00 0.00 H new ATOM 0 HA LYS A 92 -20.601 -20.103 11.535 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.979 -20.501 9.738 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -23.057 -20.786 11.466 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.669 -18.530 11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -21.947 -18.391 11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -22.290 -16.905 9.850 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.691 -18.348 9.057 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -24.355 -18.924 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -24.456 -17.175 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.356 -18.031 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -22.973 -17.103 7.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.875 -18.798 7.108 1.00 0.00 H new ATOM 1314 N SER A 93 -21.144 -22.562 12.131 1.00 0.00 N ATOM 1315 CA SER A 93 -20.976 -23.960 12.491 1.00 0.00 C ATOM 1316 C SER A 93 -22.287 -24.517 13.049 1.00 0.00 C ATOM 1317 O SER A 93 -22.640 -24.252 14.197 1.00 0.00 O ATOM 1318 CB SER A 93 -19.849 -24.134 13.511 1.00 0.00 C ATOM 1319 OG SER A 93 -18.853 -25.045 13.055 1.00 0.00 O ATOM 0 H SER A 93 -21.525 -21.973 12.872 1.00 0.00 H new ATOM 0 HA SER A 93 -20.706 -24.515 11.593 1.00 0.00 H new ATOM 0 HB2 SER A 93 -19.390 -23.166 13.713 1.00 0.00 H new ATOM 0 HB3 SER A 93 -20.264 -24.492 14.453 1.00 0.00 H new ATOM 0 HG SER A 93 -18.150 -25.128 13.733 1.00 0.00 H new ATOM 1325 N GLU A 94 -22.973 -25.280 12.210 1.00 0.00 N ATOM 1326 CA GLU A 94 -24.237 -25.878 12.605 1.00 0.00 C ATOM 1327 C GLU A 94 -24.096 -27.397 12.712 1.00 0.00 C ATOM 1328 O GLU A 94 -23.924 -28.081 11.705 1.00 0.00 O ATOM 1329 CB GLU A 94 -25.352 -25.498 11.628 1.00 0.00 C ATOM 1330 CG GLU A 94 -26.528 -24.852 12.362 1.00 0.00 C ATOM 1331 CD GLU A 94 -27.854 -25.487 11.939 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -28.115 -25.497 10.717 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -28.578 -25.949 12.848 1.00 0.00 O ATOM 0 H GLU A 94 -22.677 -25.498 11.258 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.510 -25.489 13.586 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.964 -24.809 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -25.694 -26.387 11.097 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -26.395 -24.963 13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -26.549 -23.783 12.152 1.00 0.00 H new ATOM 1340 N PRO A 95 -24.176 -27.894 13.976 1.00 0.00 N ATOM 1341 CA PRO A 95 -24.059 -29.320 14.228 1.00 0.00 C ATOM 1342 C PRO A 95 -25.337 -30.056 13.820 1.00 0.00 C ATOM 1343 O PRO A 95 -26.327 -29.428 13.448 1.00 0.00 O ATOM 1344 CB PRO A 95 -23.756 -29.434 15.713 1.00 0.00 C ATOM 1345 CG PRO A 95 -24.173 -28.107 16.326 1.00 0.00 C ATOM 1346 CD PRO A 95 -24.379 -27.115 15.193 1.00 0.00 C ATOM 0 HA PRO A 95 -23.271 -29.788 13.638 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -24.306 -30.261 16.161 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -22.697 -29.627 15.882 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -25.091 -28.224 16.902 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -23.408 -27.747 17.014 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -25.379 -26.681 15.223 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -23.671 -26.289 15.257 1.00 0.00 H new ATOM 1354 N VAL A 96 -25.274 -31.377 13.905 1.00 0.00 N ATOM 1355 CA VAL A 96 -26.414 -32.205 13.550 1.00 0.00 C ATOM 1356 C VAL A 96 -27.199 -32.554 14.816 1.00 0.00 C ATOM 1357 O VAL A 96 -26.610 -32.873 15.847 1.00 0.00 O ATOM 1358 CB VAL A 96 -25.944 -33.439 12.778 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -27.111 -34.389 12.499 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -25.241 -33.039 11.479 1.00 0.00 C ATOM 0 H VAL A 96 -24.451 -31.894 14.215 1.00 0.00 H new ATOM 0 HA VAL A 96 -27.089 -31.662 12.888 1.00 0.00 H new ATOM 0 HB VAL A 96 -25.222 -33.968 13.400 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -26.749 -35.258 11.949 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -27.550 -34.714 13.443 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -27.866 -33.873 11.906 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -24.917 -33.935 10.950 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -25.931 -32.476 10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -24.374 -32.421 11.710 1.00 0.00 H new ATOM 1370 N SER A 97 -28.517 -32.483 14.695 1.00 0.00 N ATOM 1371 CA SER A 97 -29.388 -32.788 15.817 1.00 0.00 C ATOM 1372 C SER A 97 -29.944 -34.206 15.677 1.00 0.00 C ATOM 1373 O SER A 97 -30.657 -34.506 14.720 1.00 0.00 O ATOM 1374 CB SER A 97 -30.533 -31.777 15.916 1.00 0.00 C ATOM 1375 OG SER A 97 -31.355 -32.011 17.056 1.00 0.00 O ATOM 0 H SER A 97 -29.002 -32.219 13.838 1.00 0.00 H new ATOM 0 HA SER A 97 -28.801 -32.723 16.733 1.00 0.00 H new ATOM 0 HB2 SER A 97 -30.123 -30.768 15.966 1.00 0.00 H new ATOM 0 HB3 SER A 97 -31.142 -31.829 15.013 1.00 0.00 H new ATOM 0 HG SER A 97 -32.073 -31.344 17.084 1.00 0.00 H new ATOM 1381 N SER A 98 -29.597 -35.042 16.645 1.00 0.00 N ATOM 1382 CA SER A 98 -30.053 -36.422 16.641 1.00 0.00 C ATOM 1383 C SER A 98 -29.693 -37.094 17.968 1.00 0.00 C ATOM 1384 O SER A 98 -28.774 -36.660 18.659 1.00 0.00 O ATOM 1385 CB SER A 98 -29.447 -37.199 15.471 1.00 0.00 C ATOM 1386 OG SER A 98 -30.110 -36.915 14.242 1.00 0.00 O ATOM 0 H SER A 98 -29.006 -34.790 17.437 1.00 0.00 H new ATOM 0 HA SER A 98 -31.136 -36.425 16.521 1.00 0.00 H new ATOM 0 HB2 SER A 98 -28.390 -36.950 15.379 1.00 0.00 H new ATOM 0 HB3 SER A 98 -29.506 -38.268 15.676 1.00 0.00 H new ATOM 0 HG SER A 98 -30.725 -36.162 14.368 1.00 0.00 H new ATOM 1392 N GLY A 99 -30.438 -38.144 18.283 1.00 0.00 N ATOM 1393 CA GLY A 99 -30.209 -38.881 19.514 1.00 0.00 C ATOM 1394 C GLY A 99 -29.036 -39.852 19.362 1.00 0.00 C ATOM 1395 O GLY A 99 -28.314 -39.807 18.368 1.00 0.00 O ATOM 0 H GLY A 99 -31.200 -38.501 17.707 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -30.006 -38.184 20.327 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -31.109 -39.432 19.785 1.00 0.00 H new ATOM 1399 N PRO A 100 -28.879 -40.729 20.390 1.00 0.00 N ATOM 1400 CA PRO A 100 -27.806 -41.708 20.380 1.00 0.00 C ATOM 1401 C PRO A 100 -28.114 -42.849 19.408 1.00 0.00 C ATOM 1402 O PRO A 100 -28.186 -44.010 19.810 1.00 0.00 O ATOM 1403 CB PRO A 100 -27.686 -42.173 21.822 1.00 0.00 C ATOM 1404 CG PRO A 100 -28.992 -41.787 22.496 1.00 0.00 C ATOM 1405 CD PRO A 100 -29.716 -40.810 21.583 1.00 0.00 C ATOM 0 HA PRO A 100 -26.861 -41.294 20.028 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -27.524 -43.250 21.873 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -26.837 -41.699 22.315 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -29.606 -42.670 22.674 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -28.800 -41.331 23.468 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -30.718 -41.163 21.340 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -29.827 -39.834 22.056 1.00 0.00 H new ATOM 1413 N SER A 101 -28.288 -42.479 18.148 1.00 0.00 N ATOM 1414 CA SER A 101 -28.586 -43.457 17.115 1.00 0.00 C ATOM 1415 C SER A 101 -27.471 -43.468 16.068 1.00 0.00 C ATOM 1416 O SER A 101 -27.071 -42.417 15.571 1.00 0.00 O ATOM 1417 CB SER A 101 -29.934 -43.165 16.453 1.00 0.00 C ATOM 1418 OG SER A 101 -30.973 -43.992 16.970 1.00 0.00 O ATOM 0 H SER A 101 -28.228 -41.515 17.819 1.00 0.00 H new ATOM 0 HA SER A 101 -28.647 -44.440 17.582 1.00 0.00 H new ATOM 0 HB2 SER A 101 -30.194 -42.118 16.607 1.00 0.00 H new ATOM 0 HB3 SER A 101 -29.850 -43.318 15.377 1.00 0.00 H new ATOM 0 HG SER A 101 -31.818 -43.774 16.523 1.00 0.00 H new ATOM 1424 N SER A 102 -27.002 -44.669 15.762 1.00 0.00 N ATOM 1425 CA SER A 102 -25.941 -44.831 14.782 1.00 0.00 C ATOM 1426 C SER A 102 -26.541 -45.012 13.387 1.00 0.00 C ATOM 1427 O SER A 102 -26.820 -46.135 12.968 1.00 0.00 O ATOM 1428 CB SER A 102 -25.044 -46.020 15.133 1.00 0.00 C ATOM 1429 OG SER A 102 -23.840 -45.609 15.775 1.00 0.00 O ATOM 0 H SER A 102 -27.337 -45.539 16.175 1.00 0.00 H new ATOM 0 HA SER A 102 -25.326 -43.931 14.792 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.587 -46.704 15.785 1.00 0.00 H new ATOM 0 HB3 SER A 102 -24.801 -46.571 14.225 1.00 0.00 H new ATOM 0 HG SER A 102 -23.296 -46.397 15.984 1.00 0.00 H new ATOM 1435 N GLY A 103 -26.722 -43.890 12.705 1.00 0.00 N ATOM 1436 CA GLY A 103 -27.284 -43.911 11.365 1.00 0.00 C ATOM 1437 C GLY A 103 -26.571 -42.908 10.456 1.00 0.00 C ATOM 1438 O GLY A 103 -26.814 -41.706 10.541 1.00 0.00 O ATOM 0 H GLY A 103 -26.489 -42.961 13.055 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -27.197 -44.913 10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -28.347 -43.676 11.409 1.00 0.00 H new TER 1442 GLY A 103