USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 836 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 85 SER OG : rot 61:sc= 0.959 USER MOD Set 1.2: A 87 LYS NZ :NH3+ 151:sc= 0.918 (180deg=0.274) USER MOD Set 2.1: A 69 THR OG1 : rot 75:sc= 0.0613 USER MOD Set 2.2: A 82 GLN :FLIP amide:sc= 0 F(o=-0.29,f=0.67) USER MOD Set 2.3: A 84 ASN : amide:sc= 0.609 K(o=0.67,f=-2!) USER MOD Set 3.1: A 13 GLN :FLIP amide:sc= 0.0515 F(o=-0.12,f=1.1) USER MOD Set 3.2: A 116 SER OG : rot 142:sc= 1 USER MOD Set 4.1: A 3 GLN : amide:sc= 1.07 X(o=2.3,f=2.4) USER MOD Set 4.2: A 25 SER OG : rot -175:sc= 1.25 USER MOD Single : A 1 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.047) USER MOD Single : A 1 GLN N :NH3+ -153:sc= -0.0769 (180deg=-0.746) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -0.416 USER MOD Single : A 21 SER OG : rot -47:sc= 0.211 USER MOD Single : A 28 THR OG1 : rot 48:sc= 0.574 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -34:sc= 0.544 USER MOD Single : A 32 TYR OH : rot 166:sc= 0.702 USER MOD Single : A 34 MET CE :methyl 162:sc= -2.78! (180deg=-3.72!) USER MOD Single : A 39 GLN : amide:sc= -3.44 K(o=-3.4,f=-6.1!) USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= -0.551 (180deg=-1.72) USER MOD Single : A 47 SER OG : rot 67:sc= 1.64 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 55 SER OG : rot 180:sc= -0.555 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00656 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0743 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 63 SER OG : rot -41:sc= 0.0093 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.901 K(o=-0.9,f=-6.2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -167:sc= -7.26! (180deg=-7.53!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0442 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.283 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.113 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.245 F(o=-0.96,f=-0.24) USER MOD Single : A 111 THR OG1 : rot 140:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0503 F(o=-2.8,f=-0.05) USER MOD Single : A 114 THR OG1 : rot -150:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 11.831 11.628 5.961 1.00 0.00 N ATOM 2 CA GLN A 1 11.948 12.926 5.247 1.00 0.00 C ATOM 3 C GLN A 1 11.527 12.792 3.788 1.00 0.00 C ATOM 4 O GLN A 1 11.050 13.750 3.178 1.00 0.00 O ATOM 5 CB GLN A 1 13.400 13.401 5.336 1.00 0.00 C ATOM 6 CG GLN A 1 13.833 13.774 6.744 1.00 0.00 C ATOM 7 CD GLN A 1 13.749 15.265 7.003 1.00 0.00 C ATOM 8 OE1 GLN A 1 13.100 15.707 7.952 1.00 0.00 O ATOM 9 NE2 GLN A 1 14.406 16.051 6.158 1.00 0.00 N ATOM 0 H1 GLN A 1 11.670 11.802 6.974 1.00 0.00 H new ATOM 0 H2 GLN A 1 11.032 11.088 5.571 1.00 0.00 H new ATOM 0 H3 GLN A 1 12.709 11.084 5.839 1.00 0.00 H new ATOM 0 HA GLN A 1 11.284 13.653 5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 1 14.054 12.615 4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 1 13.532 14.264 4.684 1.00 0.00 H new ATOM 0 HG2 GLN A 1 13.207 13.248 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 1 14.857 13.438 6.907 1.00 0.00 H new ATOM 0 HE21 GLN A 1 14.931 15.642 5.385 1.00 0.00 H new ATOM 0 HE22 GLN A 1 14.385 17.063 6.282 1.00 0.00 H new ATOM 20 N VAL A 2 11.707 11.598 3.233 1.00 0.00 N ATOM 21 CA VAL A 2 11.352 11.332 1.854 1.00 0.00 C ATOM 22 C VAL A 2 9.839 11.328 1.665 1.00 0.00 C ATOM 23 O VAL A 2 9.086 11.077 2.606 1.00 0.00 O ATOM 24 CB VAL A 2 11.920 9.978 1.404 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.420 10.075 1.175 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.593 8.891 2.420 1.00 0.00 C ATOM 0 H VAL A 2 12.100 10.797 3.726 1.00 0.00 H new ATOM 0 HA VAL A 2 11.781 12.128 1.246 1.00 0.00 H new ATOM 0 HB VAL A 2 11.450 9.707 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.803 9.105 0.857 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.623 10.817 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.911 10.373 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 2 12.005 7.940 2.081 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.028 9.152 3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.511 8.802 2.522 1.00 0.00 H new ATOM 36 N GLN A 3 9.399 11.606 0.442 1.00 0.00 N ATOM 37 CA GLN A 3 7.975 11.633 0.130 1.00 0.00 C ATOM 38 C GLN A 3 7.592 10.454 -0.759 1.00 0.00 C ATOM 39 O GLN A 3 8.446 9.851 -1.408 1.00 0.00 O ATOM 40 CB GLN A 3 7.606 12.948 -0.560 1.00 0.00 C ATOM 41 CG GLN A 3 8.492 13.281 -1.749 1.00 0.00 C ATOM 42 CD GLN A 3 7.702 13.778 -2.944 1.00 0.00 C ATOM 43 OE1 GLN A 3 7.507 13.052 -3.919 1.00 0.00 O ATOM 44 NE2 GLN A 3 7.243 15.022 -2.874 1.00 0.00 N ATOM 0 H GLN A 3 10.008 11.816 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 3 7.422 11.555 1.066 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.570 12.895 -0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 3 7.666 13.759 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.217 14.041 -1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.058 12.394 -2.035 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.428 15.588 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 3 6.705 15.411 -3.648 1.00 0.00 H new ATOM 53 N LEU A 4 6.303 10.132 -0.782 1.00 0.00 N ATOM 54 CA LEU A 4 5.808 9.024 -1.591 1.00 0.00 C ATOM 55 C LEU A 4 4.572 9.439 -2.384 1.00 0.00 C ATOM 56 O LEU A 4 3.719 10.172 -1.885 1.00 0.00 O ATOM 57 CB LEU A 4 5.480 7.823 -0.701 1.00 0.00 C ATOM 58 CG LEU A 4 6.697 7.074 -0.147 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.797 7.249 1.362 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.627 5.597 -0.509 1.00 0.00 C ATOM 0 H LEU A 4 5.583 10.622 -0.251 1.00 0.00 H new ATOM 0 HA LEU A 4 6.590 8.742 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.872 8.166 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.871 7.123 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 4 7.593 7.498 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.668 6.709 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.898 8.308 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.897 6.855 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.500 5.082 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.722 5.161 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.609 5.489 -1.593 1.00 0.00 H new ATOM 72 N GLN A 5 4.482 8.966 -3.623 1.00 0.00 N ATOM 73 CA GLN A 5 3.349 9.288 -4.484 1.00 0.00 C ATOM 74 C GLN A 5 2.587 8.025 -4.871 1.00 0.00 C ATOM 75 O GLN A 5 3.089 6.913 -4.713 1.00 0.00 O ATOM 76 CB GLN A 5 3.827 10.016 -5.741 1.00 0.00 C ATOM 77 CG GLN A 5 4.033 11.509 -5.539 1.00 0.00 C ATOM 78 CD GLN A 5 2.846 12.329 -6.004 1.00 0.00 C ATOM 79 OE1 GLN A 5 1.643 11.853 -5.705 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 3.008 13.380 -6.625 1.00 0.00 N flip ATOM 0 H GLN A 5 5.180 8.359 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 5 2.676 9.942 -3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.764 9.570 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.100 9.863 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.216 11.707 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.924 11.826 -6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 5 3.951 13.709 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.199 13.921 -6.931 1.00 0.00 H new ATOM 89 N GLU A 6 1.370 8.204 -5.375 1.00 0.00 N ATOM 90 CA GLU A 6 0.538 7.075 -5.782 1.00 0.00 C ATOM 91 C GLU A 6 0.214 7.147 -7.272 1.00 0.00 C ATOM 92 O GLU A 6 0.364 8.196 -7.899 1.00 0.00 O ATOM 93 CB GLU A 6 -0.766 7.035 -4.970 1.00 0.00 C ATOM 94 CG GLU A 6 -0.778 7.962 -3.762 1.00 0.00 C ATOM 95 CD GLU A 6 0.099 7.461 -2.632 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.272 6.453 -1.995 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.157 8.076 -2.384 1.00 0.00 O ATOM 0 H GLU A 6 0.938 9.118 -5.512 1.00 0.00 H new ATOM 0 HA GLU A 6 1.102 6.163 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.597 7.299 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.939 6.013 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.441 8.953 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.801 8.070 -3.402 1.00 0.00 H new ATOM 104 N SER A 7 -0.232 6.027 -7.830 1.00 0.00 N ATOM 105 CA SER A 7 -0.580 5.964 -9.245 1.00 0.00 C ATOM 106 C SER A 7 -1.418 4.725 -9.544 1.00 0.00 C ATOM 107 O SER A 7 -0.970 3.596 -9.342 1.00 0.00 O ATOM 108 CB SER A 7 0.685 5.958 -10.104 1.00 0.00 C ATOM 109 OG SER A 7 0.370 5.796 -11.477 1.00 0.00 O ATOM 0 H SER A 7 -0.361 5.151 -7.324 1.00 0.00 H new ATOM 0 HA SER A 7 -1.170 6.848 -9.488 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.230 6.891 -9.961 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.343 5.151 -9.781 1.00 0.00 H new ATOM 0 HG SER A 7 1.196 5.797 -12.004 1.00 0.00 H new ATOM 115 N GLY A 8 -2.636 4.944 -10.028 1.00 0.00 N ATOM 116 CA GLY A 8 -3.519 3.836 -10.347 1.00 0.00 C ATOM 117 C GLY A 8 -4.817 3.879 -9.564 1.00 0.00 C ATOM 118 O GLY A 8 -5.820 3.299 -9.981 1.00 0.00 O ATOM 0 H GLY A 8 -3.028 5.869 -10.205 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.742 3.850 -11.414 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.006 2.897 -10.141 1.00 0.00 H new ATOM 122 N GLY A 9 -4.800 4.566 -8.423 1.00 0.00 N ATOM 123 CA GLY A 9 -5.983 4.670 -7.595 1.00 0.00 C ATOM 124 C GLY A 9 -7.224 5.030 -8.384 1.00 0.00 C ATOM 125 O GLY A 9 -7.176 5.849 -9.302 1.00 0.00 O ATOM 0 H GLY A 9 -3.981 5.054 -8.059 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.146 3.722 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.817 5.424 -6.825 1.00 0.00 H new ATOM 129 N GLY A 10 -8.335 4.411 -8.019 1.00 0.00 N ATOM 130 CA GLY A 10 -9.590 4.667 -8.695 1.00 0.00 C ATOM 131 C GLY A 10 -10.712 3.792 -8.178 1.00 0.00 C ATOM 132 O GLY A 10 -10.480 2.848 -7.423 1.00 0.00 O ATOM 0 H GLY A 10 -8.391 3.731 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.861 5.715 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.465 4.498 -9.765 1.00 0.00 H new ATOM 136 N LEU A 11 -11.933 4.116 -8.580 1.00 0.00 N ATOM 137 CA LEU A 11 -13.104 3.373 -8.155 1.00 0.00 C ATOM 138 C LEU A 11 -13.129 1.978 -8.766 1.00 0.00 C ATOM 139 O LEU A 11 -12.696 1.779 -9.901 1.00 0.00 O ATOM 140 CB LEU A 11 -14.366 4.134 -8.541 1.00 0.00 C ATOM 141 CG LEU A 11 -14.364 5.588 -8.088 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.158 6.521 -9.272 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.650 5.931 -7.346 1.00 0.00 C ATOM 0 H LEU A 11 -12.136 4.896 -9.205 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.061 3.263 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.484 4.100 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.231 3.629 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.532 5.725 -7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.160 7.554 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.203 6.300 -9.748 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.964 6.378 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.622 6.975 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.504 5.772 -8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.745 5.292 -6.468 1.00 0.00 H new ATOM 155 N VAL A 12 -13.638 1.014 -8.007 1.00 0.00 N ATOM 156 CA VAL A 12 -13.717 -0.364 -8.479 1.00 0.00 C ATOM 157 C VAL A 12 -15.018 -1.029 -8.039 1.00 0.00 C ATOM 158 O VAL A 12 -15.410 -0.943 -6.875 1.00 0.00 O ATOM 159 CB VAL A 12 -12.524 -1.198 -7.977 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.496 -1.237 -6.456 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.567 -2.606 -8.556 1.00 0.00 C ATOM 0 H VAL A 12 -14.001 1.160 -7.065 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.690 -0.326 -9.568 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.606 -0.720 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.645 -1.831 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.404 -0.223 -6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.418 -1.685 -6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.715 -3.177 -8.188 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.491 -3.097 -8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.526 -2.553 -9.644 1.00 0.00 H new ATOM 171 N GLN A 13 -15.682 -1.694 -8.980 1.00 0.00 N ATOM 172 CA GLN A 13 -16.937 -2.379 -8.695 1.00 0.00 C ATOM 173 C GLN A 13 -16.689 -3.604 -7.815 1.00 0.00 C ATOM 174 O GLN A 13 -15.710 -4.326 -8.002 1.00 0.00 O ATOM 175 CB GLN A 13 -17.633 -2.759 -10.018 1.00 0.00 C ATOM 176 CG GLN A 13 -18.088 -4.214 -10.126 1.00 0.00 C ATOM 177 CD GLN A 13 -19.497 -4.443 -9.602 1.00 0.00 C ATOM 178 OE1 GLN A 13 -19.941 -3.602 -8.672 1.00 0.00 O flip ATOM 179 NE2 GLN A 13 -20.182 -5.371 -10.032 1.00 0.00 N flip ATOM 0 H GLN A 13 -15.370 -1.773 -9.948 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.598 -1.711 -8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -18.502 -2.114 -10.150 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -16.951 -2.548 -10.841 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.040 -4.526 -11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.394 -4.847 -9.572 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.805 -5.995 -10.746 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -21.126 -5.516 -9.675 1.00 0.00 H new ATOM 188 N ALA A 14 -17.582 -3.830 -6.853 1.00 0.00 N ATOM 189 CA ALA A 14 -17.463 -4.964 -5.941 1.00 0.00 C ATOM 190 C ALA A 14 -17.130 -6.253 -6.688 1.00 0.00 C ATOM 191 O ALA A 14 -17.778 -6.596 -7.676 1.00 0.00 O ATOM 192 CB ALA A 14 -18.749 -5.133 -5.145 1.00 0.00 C ATOM 0 H ALA A 14 -18.397 -3.241 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.641 -4.757 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.649 -5.982 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.941 -4.229 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.579 -5.310 -5.829 1.00 0.00 H new ATOM 198 N GLY A 15 -16.113 -6.963 -6.207 1.00 0.00 N ATOM 199 CA GLY A 15 -15.711 -8.205 -6.841 1.00 0.00 C ATOM 200 C GLY A 15 -14.555 -8.020 -7.804 1.00 0.00 C ATOM 201 O GLY A 15 -13.850 -8.975 -8.129 1.00 0.00 O ATOM 0 H GLY A 15 -15.561 -6.700 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.428 -8.925 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.561 -8.627 -7.377 1.00 0.00 H new ATOM 205 N GLY A 16 -14.358 -6.787 -8.263 1.00 0.00 N ATOM 206 CA GLY A 16 -13.279 -6.506 -9.191 1.00 0.00 C ATOM 207 C GLY A 16 -11.938 -6.362 -8.498 1.00 0.00 C ATOM 208 O GLY A 16 -11.846 -6.477 -7.276 1.00 0.00 O ATOM 0 H GLY A 16 -14.926 -5.979 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.219 -7.308 -9.927 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.503 -5.589 -9.736 1.00 0.00 H new ATOM 212 N SER A 17 -10.894 -6.110 -9.282 1.00 0.00 N ATOM 213 CA SER A 17 -9.551 -5.951 -8.743 1.00 0.00 C ATOM 214 C SER A 17 -8.987 -4.575 -9.079 1.00 0.00 C ATOM 215 O SER A 17 -9.161 -4.077 -10.192 1.00 0.00 O ATOM 216 CB SER A 17 -8.631 -7.043 -9.286 1.00 0.00 C ATOM 217 OG SER A 17 -7.273 -6.634 -9.260 1.00 0.00 O ATOM 0 H SER A 17 -10.955 -6.012 -10.295 1.00 0.00 H new ATOM 0 HA SER A 17 -9.608 -6.041 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.751 -7.950 -8.694 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.919 -7.289 -10.308 1.00 0.00 H new ATOM 0 HG SER A 17 -6.753 -7.186 -9.881 1.00 0.00 H new ATOM 223 N LEU A 18 -8.308 -3.965 -8.112 1.00 0.00 N ATOM 224 CA LEU A 18 -7.716 -2.651 -8.307 1.00 0.00 C ATOM 225 C LEU A 18 -6.228 -2.682 -7.974 1.00 0.00 C ATOM 226 O LEU A 18 -5.827 -3.220 -6.943 1.00 0.00 O ATOM 227 CB LEU A 18 -8.431 -1.616 -7.439 1.00 0.00 C ATOM 228 CG LEU A 18 -7.957 -0.181 -7.639 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.683 0.462 -8.812 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.163 0.632 -6.370 1.00 0.00 C ATOM 0 H LEU A 18 -8.155 -4.363 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.831 -2.370 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.500 -1.664 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.298 -1.886 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.891 -0.199 -7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.332 1.486 -8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.482 -0.107 -9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.755 0.468 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.819 1.653 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.222 0.643 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.596 0.183 -5.554 1.00 0.00 H new ATOM 242 N ARG A 19 -5.413 -2.114 -8.856 1.00 0.00 N ATOM 243 CA ARG A 19 -3.968 -2.095 -8.653 1.00 0.00 C ATOM 244 C ARG A 19 -3.447 -0.675 -8.451 1.00 0.00 C ATOM 245 O ARG A 19 -3.755 0.228 -9.229 1.00 0.00 O ATOM 246 CB ARG A 19 -3.263 -2.735 -9.849 1.00 0.00 C ATOM 247 CG ARG A 19 -1.761 -2.876 -9.668 1.00 0.00 C ATOM 248 CD ARG A 19 -1.010 -1.698 -10.270 1.00 0.00 C ATOM 249 NE ARG A 19 -0.451 -2.019 -11.583 1.00 0.00 N ATOM 250 CZ ARG A 19 -1.027 -1.697 -12.740 1.00 0.00 C ATOM 251 NH1 ARG A 19 -2.183 -1.042 -12.762 1.00 0.00 N ATOM 252 NH2 ARG A 19 -0.445 -2.032 -13.883 1.00 0.00 N ATOM 0 H ARG A 19 -5.726 -1.662 -9.715 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.753 -2.666 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.693 -3.721 -10.028 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.458 -2.136 -10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.528 -2.952 -8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.423 -3.801 -10.136 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.684 -0.846 -10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.207 -1.398 -9.597 1.00 0.00 H new ATOM 0 HE ARG A 19 0.436 -2.521 -11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.638 -0.781 -11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.615 -0.800 -13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.442 -2.535 -13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.884 -1.786 -14.770 1.00 0.00 H new ATOM 266 N LEU A 20 -2.640 -0.492 -7.410 1.00 0.00 N ATOM 267 CA LEU A 20 -2.056 0.811 -7.113 1.00 0.00 C ATOM 268 C LEU A 20 -0.536 0.722 -7.116 1.00 0.00 C ATOM 269 O LEU A 20 0.038 -0.266 -6.656 1.00 0.00 O ATOM 270 CB LEU A 20 -2.540 1.334 -5.759 1.00 0.00 C ATOM 271 CG LEU A 20 -3.966 0.933 -5.380 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.333 1.489 -4.011 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.946 1.412 -6.442 1.00 0.00 C ATOM 0 H LEU A 20 -2.376 -1.230 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.377 1.507 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.861 0.976 -4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.474 2.422 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.021 -0.154 -5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.351 1.193 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.645 1.096 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.266 2.577 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.958 1.121 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.891 2.497 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.692 0.961 -7.401 1.00 0.00 H new ATOM 285 N SER A 21 0.110 1.754 -7.641 1.00 0.00 N ATOM 286 CA SER A 21 1.566 1.787 -7.708 1.00 0.00 C ATOM 287 C SER A 21 2.121 3.031 -7.021 1.00 0.00 C ATOM 288 O SER A 21 1.913 4.152 -7.483 1.00 0.00 O ATOM 289 CB SER A 21 2.029 1.748 -9.165 1.00 0.00 C ATOM 290 OG SER A 21 1.647 2.927 -9.854 1.00 0.00 O ATOM 0 H SER A 21 -0.350 2.579 -8.027 1.00 0.00 H new ATOM 0 HA SER A 21 1.946 0.909 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 21 3.113 1.636 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.601 0.878 -9.663 1.00 0.00 H new ATOM 0 HG SER A 21 0.707 3.127 -9.664 1.00 0.00 H new ATOM 296 N CYS A 22 2.833 2.822 -5.918 1.00 0.00 N ATOM 297 CA CYS A 22 3.425 3.926 -5.172 1.00 0.00 C ATOM 298 C CYS A 22 4.939 3.944 -5.350 1.00 0.00 C ATOM 299 O CYS A 22 5.598 2.908 -5.260 1.00 0.00 O ATOM 300 CB CYS A 22 3.073 3.819 -3.686 1.00 0.00 C ATOM 301 SG CYS A 22 3.922 5.038 -2.627 1.00 0.00 S ATOM 0 H CYS A 22 3.014 1.900 -5.522 1.00 0.00 H new ATOM 0 HA CYS A 22 3.017 4.858 -5.563 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.996 3.941 -3.570 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.320 2.816 -3.337 1.00 0.00 H new ATOM 306 N ALA A 23 5.482 5.128 -5.602 1.00 0.00 N ATOM 307 CA ALA A 23 6.918 5.284 -5.793 1.00 0.00 C ATOM 308 C ALA A 23 7.543 6.070 -4.647 1.00 0.00 C ATOM 309 O ALA A 23 6.925 6.981 -4.095 1.00 0.00 O ATOM 310 CB ALA A 23 7.202 5.968 -7.122 1.00 0.00 C ATOM 0 H ALA A 23 4.950 5.995 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 23 7.368 4.291 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.279 6.078 -7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.798 5.365 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.733 6.952 -7.132 1.00 0.00 H new ATOM 316 N ALA A 24 8.773 5.713 -4.293 1.00 0.00 N ATOM 317 CA ALA A 24 9.482 6.385 -3.211 1.00 0.00 C ATOM 318 C ALA A 24 10.463 7.417 -3.756 1.00 0.00 C ATOM 319 O ALA A 24 11.444 7.070 -4.413 1.00 0.00 O ATOM 320 CB ALA A 24 10.209 5.368 -2.344 1.00 0.00 C ATOM 0 H ALA A 24 9.299 4.962 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 24 8.748 6.908 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.734 5.884 -1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.487 4.671 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.927 4.819 -2.952 1.00 0.00 H new ATOM 326 N SER A 25 10.191 8.689 -3.479 1.00 0.00 N ATOM 327 CA SER A 25 11.050 9.772 -3.943 1.00 0.00 C ATOM 328 C SER A 25 12.244 9.957 -3.011 1.00 0.00 C ATOM 329 O SER A 25 12.186 10.736 -2.060 1.00 0.00 O ATOM 330 CB SER A 25 10.255 11.077 -4.039 1.00 0.00 C ATOM 331 OG SER A 25 8.860 10.829 -4.021 1.00 0.00 O ATOM 0 H SER A 25 9.383 8.994 -2.936 1.00 0.00 H new ATOM 0 HA SER A 25 11.422 9.508 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.522 11.730 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.522 11.602 -4.956 1.00 0.00 H new ATOM 0 HG SER A 25 8.376 11.670 -4.158 1.00 0.00 H new ATOM 337 N GLY A 26 13.325 9.236 -3.292 1.00 0.00 N ATOM 338 CA GLY A 26 14.516 9.336 -2.470 1.00 0.00 C ATOM 339 C GLY A 26 15.353 8.072 -2.502 1.00 0.00 C ATOM 340 O GLY A 26 14.836 6.984 -2.756 1.00 0.00 O ATOM 0 H GLY A 26 13.397 8.585 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.120 10.176 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.226 9.550 -1.441 1.00 0.00 H new ATOM 344 N ARG A 27 16.649 8.217 -2.246 1.00 0.00 N ATOM 345 CA ARG A 27 17.561 7.083 -2.247 1.00 0.00 C ATOM 346 C ARG A 27 17.406 6.253 -0.976 1.00 0.00 C ATOM 347 O ARG A 27 17.409 6.790 0.131 1.00 0.00 O ATOM 348 CB ARG A 27 19.001 7.572 -2.378 1.00 0.00 C ATOM 349 CG ARG A 27 19.378 7.990 -3.790 1.00 0.00 C ATOM 350 CD ARG A 27 20.850 7.737 -4.071 1.00 0.00 C ATOM 351 NE ARG A 27 21.126 7.644 -5.503 1.00 0.00 N ATOM 352 CZ ARG A 27 20.848 6.574 -6.244 1.00 0.00 C ATOM 353 NH1 ARG A 27 20.289 5.504 -5.693 1.00 0.00 N ATOM 354 NH2 ARG A 27 21.132 6.573 -7.539 1.00 0.00 N ATOM 0 H ARG A 27 17.091 9.112 -2.035 1.00 0.00 H new ATOM 0 HA ARG A 27 17.316 6.450 -3.099 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.151 8.417 -1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.675 6.781 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.770 7.440 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 27 19.157 9.048 -3.929 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.445 8.541 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 27 21.159 6.813 -3.582 1.00 0.00 H new ATOM 0 HE ARG A 27 21.557 8.447 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 27 20.070 5.499 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.078 4.687 -6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.563 7.392 -7.967 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.919 5.753 -8.107 1.00 0.00 H new ATOM 368 N THR A 28 17.270 4.941 -1.144 1.00 0.00 N ATOM 369 CA THR A 28 17.114 4.038 -0.010 1.00 0.00 C ATOM 370 C THR A 28 18.472 3.624 0.548 1.00 0.00 C ATOM 371 O THR A 28 19.054 2.629 0.117 1.00 0.00 O ATOM 372 CB THR A 28 16.320 2.797 -0.423 1.00 0.00 C ATOM 373 OG1 THR A 28 16.925 2.163 -1.536 1.00 0.00 O ATOM 374 CG2 THR A 28 14.884 3.100 -0.791 1.00 0.00 C ATOM 0 H THR A 28 17.265 4.480 -2.054 1.00 0.00 H new ATOM 0 HA THR A 28 16.567 4.568 0.770 1.00 0.00 H new ATOM 0 HB THR A 28 16.324 2.147 0.452 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.888 2.072 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.378 2.177 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.375 3.545 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.862 3.797 -1.629 1.00 0.00 H new ATOM 382 N GLY A 29 18.973 4.395 1.508 1.00 0.00 N ATOM 383 CA GLY A 29 20.260 4.092 2.106 1.00 0.00 C ATOM 384 C GLY A 29 20.166 3.020 3.173 1.00 0.00 C ATOM 385 O GLY A 29 21.081 2.212 3.335 1.00 0.00 O ATOM 0 H GLY A 29 18.511 5.224 1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.951 3.766 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.677 4.999 2.543 1.00 0.00 H new ATOM 389 N SER A 30 19.057 3.013 3.903 1.00 0.00 N ATOM 390 CA SER A 30 18.844 2.032 4.962 1.00 0.00 C ATOM 391 C SER A 30 17.963 0.878 4.484 1.00 0.00 C ATOM 392 O SER A 30 17.607 -0.004 5.265 1.00 0.00 O ATOM 393 CB SER A 30 18.209 2.704 6.181 1.00 0.00 C ATOM 394 OG SER A 30 18.874 2.328 7.375 1.00 0.00 O ATOM 0 H SER A 30 18.291 3.675 3.782 1.00 0.00 H new ATOM 0 HA SER A 30 19.815 1.622 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.248 3.787 6.065 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.156 2.428 6.245 1.00 0.00 H new ATOM 0 HG SER A 30 18.450 2.772 8.139 1.00 0.00 H new ATOM 400 N THR A 31 17.615 0.884 3.198 1.00 0.00 N ATOM 401 CA THR A 31 16.779 -0.167 2.627 1.00 0.00 C ATOM 402 C THR A 31 15.473 -0.313 3.405 1.00 0.00 C ATOM 403 O THR A 31 15.094 -1.416 3.801 1.00 0.00 O ATOM 404 CB THR A 31 17.533 -1.499 2.616 1.00 0.00 C ATOM 405 OG1 THR A 31 17.511 -2.101 3.899 1.00 0.00 O ATOM 406 CG2 THR A 31 18.981 -1.365 2.193 1.00 0.00 C ATOM 0 H THR A 31 17.899 1.604 2.534 1.00 0.00 H new ATOM 0 HA THR A 31 16.538 0.115 1.602 1.00 0.00 H new ATOM 0 HB THR A 31 17.014 -2.117 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.529 -1.404 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.456 -2.346 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.029 -0.953 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 31 19.501 -0.700 2.882 1.00 0.00 H new ATOM 414 N TYR A 32 14.791 0.806 3.625 1.00 0.00 N ATOM 415 CA TYR A 32 13.547 0.818 4.347 1.00 0.00 C ATOM 416 C TYR A 32 12.437 0.152 3.538 1.00 0.00 C ATOM 417 O TYR A 32 12.267 0.431 2.351 1.00 0.00 O ATOM 418 CB TYR A 32 13.174 2.263 4.674 1.00 0.00 C ATOM 419 CG TYR A 32 14.088 3.317 4.082 1.00 0.00 C ATOM 420 CD1 TYR A 32 15.230 3.731 4.756 1.00 0.00 C ATOM 421 CD2 TYR A 32 13.806 3.897 2.851 1.00 0.00 C ATOM 422 CE1 TYR A 32 16.065 4.693 4.221 1.00 0.00 C ATOM 423 CE2 TYR A 32 14.636 4.860 2.310 1.00 0.00 C ATOM 424 CZ TYR A 32 15.764 5.254 2.998 1.00 0.00 C ATOM 425 OH TYR A 32 16.593 6.213 2.462 1.00 0.00 O ATOM 0 H TYR A 32 15.095 1.725 3.303 1.00 0.00 H new ATOM 0 HA TYR A 32 13.667 0.252 5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 32 12.159 2.447 4.323 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.163 2.382 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 32 15.469 3.294 5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.924 3.590 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 32 16.949 5.004 4.758 1.00 0.00 H new ATOM 0 HE2 TYR A 32 14.402 5.302 1.353 1.00 0.00 H new ATOM 0 HH TYR A 32 16.373 6.344 1.516 1.00 0.00 H new ATOM 435 N ASP A 33 11.687 -0.730 4.190 1.00 0.00 N ATOM 436 CA ASP A 33 10.593 -1.440 3.535 1.00 0.00 C ATOM 437 C ASP A 33 9.552 -0.464 2.996 1.00 0.00 C ATOM 438 O ASP A 33 9.645 0.744 3.219 1.00 0.00 O ATOM 439 CB ASP A 33 9.937 -2.416 4.513 1.00 0.00 C ATOM 440 CG ASP A 33 10.948 -3.307 5.207 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.073 -3.448 4.684 1.00 0.00 O ATOM 442 OD2 ASP A 33 10.615 -3.863 6.274 1.00 0.00 O ATOM 0 H ASP A 33 11.816 -0.971 5.173 1.00 0.00 H new ATOM 0 HA ASP A 33 11.007 -1.998 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.377 -1.855 5.261 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.219 -3.036 3.976 1.00 0.00 H new ATOM 447 N MET A 34 8.562 -0.995 2.286 1.00 0.00 N ATOM 448 CA MET A 34 7.503 -0.170 1.716 1.00 0.00 C ATOM 449 C MET A 34 6.163 -0.898 1.760 1.00 0.00 C ATOM 450 O MET A 34 6.044 -2.026 1.283 1.00 0.00 O ATOM 451 CB MET A 34 7.847 0.211 0.274 1.00 0.00 C ATOM 452 CG MET A 34 8.389 1.625 0.131 1.00 0.00 C ATOM 453 SD MET A 34 9.871 1.705 -0.894 1.00 0.00 S ATOM 454 CE MET A 34 9.265 0.994 -2.422 1.00 0.00 C ATOM 0 H MET A 34 8.471 -1.992 2.092 1.00 0.00 H new ATOM 0 HA MET A 34 7.420 0.738 2.313 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.584 -0.493 -0.113 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.954 0.109 -0.343 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.618 2.263 -0.302 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.615 2.025 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.938 1.257 -3.238 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.219 -0.091 -2.325 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.269 1.382 -2.634 1.00 0.00 H new ATOM 464 N GLY A 35 5.157 -0.246 2.336 1.00 0.00 N ATOM 465 CA GLY A 35 3.843 -0.854 2.430 1.00 0.00 C ATOM 466 C GLY A 35 2.721 0.163 2.393 1.00 0.00 C ATOM 467 O GLY A 35 2.920 1.332 2.724 1.00 0.00 O ATOM 0 H GLY A 35 5.228 0.689 2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.715 -1.560 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.778 -1.426 3.355 1.00 0.00 H new ATOM 471 N TRP A 36 1.536 -0.283 1.986 1.00 0.00 N ATOM 472 CA TRP A 36 0.379 0.587 1.903 1.00 0.00 C ATOM 473 C TRP A 36 -0.363 0.648 3.229 1.00 0.00 C ATOM 474 O TRP A 36 -0.305 -0.282 4.035 1.00 0.00 O ATOM 475 CB TRP A 36 -0.560 0.102 0.811 1.00 0.00 C ATOM 476 CG TRP A 36 0.011 0.221 -0.569 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.930 -0.605 -1.150 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.299 1.225 -1.542 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.210 -0.176 -2.425 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.468 0.945 -2.689 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.152 2.332 -1.555 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.406 1.734 -3.836 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.212 3.114 -2.694 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.437 2.811 -3.820 1.00 0.00 C ATOM 0 H TRP A 36 1.357 -1.248 1.708 1.00 0.00 H new ATOM 0 HA TRP A 36 0.730 1.590 1.663 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.816 -0.940 1.000 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.488 0.672 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.372 -1.469 -0.677 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.864 -0.620 -3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.754 2.572 -0.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.002 1.503 -4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.867 3.972 -2.715 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.506 3.441 -4.694 1.00 0.00 H new ATOM 495 N PHE A 37 -1.058 1.755 3.446 1.00 0.00 N ATOM 496 CA PHE A 37 -1.813 1.961 4.664 1.00 0.00 C ATOM 497 C PHE A 37 -3.223 2.439 4.341 1.00 0.00 C ATOM 498 O PHE A 37 -3.568 2.636 3.175 1.00 0.00 O ATOM 499 CB PHE A 37 -1.103 2.993 5.535 1.00 0.00 C ATOM 500 CG PHE A 37 -0.075 2.407 6.459 1.00 0.00 C ATOM 501 CD1 PHE A 37 1.030 1.740 5.955 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.213 2.524 7.833 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.978 1.200 6.804 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.731 1.986 8.687 1.00 0.00 C ATOM 505 CZ PHE A 37 1.827 1.322 8.172 1.00 0.00 C ATOM 0 H PHE A 37 -1.112 2.529 2.784 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.881 1.015 5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.621 3.728 4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.846 3.527 6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.152 1.641 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.068 3.042 8.241 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.835 0.683 6.399 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.612 2.085 9.756 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.565 0.899 8.837 1.00 0.00 H new ATOM 515 N ARG A 38 -4.034 2.632 5.374 1.00 0.00 N ATOM 516 CA ARG A 38 -5.401 3.095 5.189 1.00 0.00 C ATOM 517 C ARG A 38 -5.883 3.864 6.414 1.00 0.00 C ATOM 518 O ARG A 38 -5.380 3.664 7.521 1.00 0.00 O ATOM 519 CB ARG A 38 -6.329 1.915 4.904 1.00 0.00 C ATOM 520 CG ARG A 38 -6.304 0.841 5.978 1.00 0.00 C ATOM 521 CD ARG A 38 -6.864 -0.474 5.463 1.00 0.00 C ATOM 522 NE ARG A 38 -6.144 -1.626 6.000 1.00 0.00 N ATOM 523 CZ ARG A 38 -6.480 -2.891 5.756 1.00 0.00 C ATOM 524 NH1 ARG A 38 -7.522 -3.170 4.982 1.00 0.00 N ATOM 525 NH2 ARG A 38 -5.772 -3.879 6.285 1.00 0.00 N ATOM 0 H ARG A 38 -3.768 2.475 6.346 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.419 3.769 4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.349 2.285 4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.050 1.468 3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.280 0.692 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.884 1.172 6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.918 -0.549 5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.810 -0.489 4.374 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.336 -1.451 6.597 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.069 -2.414 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.775 -4.141 4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.970 -3.670 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.030 -4.848 6.098 1.00 0.00 H new ATOM 539 N GLN A 39 -6.857 4.748 6.213 1.00 0.00 N ATOM 540 CA GLN A 39 -7.395 5.546 7.308 1.00 0.00 C ATOM 541 C GLN A 39 -8.692 6.238 6.903 1.00 0.00 C ATOM 542 O GLN A 39 -8.884 6.592 5.740 1.00 0.00 O ATOM 543 CB GLN A 39 -6.368 6.589 7.753 1.00 0.00 C ATOM 544 CG GLN A 39 -6.757 7.323 9.026 1.00 0.00 C ATOM 545 CD GLN A 39 -5.678 8.269 9.507 1.00 0.00 C ATOM 546 OE1 GLN A 39 -4.833 8.714 8.729 1.00 0.00 O ATOM 547 NE2 GLN A 39 -5.701 8.582 10.795 1.00 0.00 N ATOM 0 H GLN A 39 -7.287 4.928 5.306 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.612 4.873 8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.407 6.098 7.906 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.231 7.316 6.952 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.675 7.884 8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.972 6.596 9.809 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.420 8.189 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.000 9.216 11.178 1.00 0.00 H new ATOM 556 N ALA A 40 -9.575 6.433 7.876 1.00 0.00 N ATOM 557 CA ALA A 40 -10.853 7.090 7.635 1.00 0.00 C ATOM 558 C ALA A 40 -11.044 8.261 8.594 1.00 0.00 C ATOM 559 O ALA A 40 -10.304 8.398 9.569 1.00 0.00 O ATOM 560 CB ALA A 40 -11.995 6.094 7.774 1.00 0.00 C ATOM 0 H ALA A 40 -9.428 6.144 8.843 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.855 7.479 6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.943 6.600 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.867 5.290 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.994 5.678 8.781 1.00 0.00 H new ATOM 566 N PRO A 41 -12.038 9.127 8.336 1.00 0.00 N ATOM 567 CA PRO A 41 -12.306 10.286 9.191 1.00 0.00 C ATOM 568 C PRO A 41 -12.782 9.881 10.574 1.00 0.00 C ATOM 569 O PRO A 41 -13.584 8.959 10.725 1.00 0.00 O ATOM 570 CB PRO A 41 -13.396 11.052 8.438 1.00 0.00 C ATOM 571 CG PRO A 41 -14.049 10.032 7.568 1.00 0.00 C ATOM 572 CD PRO A 41 -12.971 9.050 7.198 1.00 0.00 C ATOM 0 HA PRO A 41 -11.409 10.879 9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.112 11.500 9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.972 11.863 7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -14.865 9.536 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -14.477 10.494 6.679 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.370 8.043 7.072 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.485 9.320 6.260 1.00 0.00 H new ATOM 580 N GLY A 42 -12.259 10.563 11.586 1.00 0.00 N ATOM 581 CA GLY A 42 -12.616 10.246 12.951 1.00 0.00 C ATOM 582 C GLY A 42 -12.043 8.910 13.382 1.00 0.00 C ATOM 583 O GLY A 42 -12.312 8.438 14.487 1.00 0.00 O ATOM 0 H GLY A 42 -11.594 11.330 11.483 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.251 11.030 13.615 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.701 10.225 13.048 1.00 0.00 H new ATOM 587 N LYS A 43 -11.255 8.292 12.499 1.00 0.00 N ATOM 588 CA LYS A 43 -10.651 7.005 12.780 1.00 0.00 C ATOM 589 C LYS A 43 -9.140 7.140 12.951 1.00 0.00 C ATOM 590 O LYS A 43 -8.590 8.237 12.855 1.00 0.00 O ATOM 591 CB LYS A 43 -10.968 6.050 11.636 1.00 0.00 C ATOM 592 CG LYS A 43 -11.030 4.591 12.050 1.00 0.00 C ATOM 593 CD LYS A 43 -9.981 3.771 11.323 1.00 0.00 C ATOM 594 CE LYS A 43 -10.030 2.308 11.733 1.00 0.00 C ATOM 595 NZ LYS A 43 -10.135 2.147 13.209 1.00 0.00 N ATOM 0 H LYS A 43 -11.025 8.672 11.581 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.059 6.614 13.712 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.924 6.333 11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.211 6.165 10.860 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.879 4.509 13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.021 4.191 11.836 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.136 3.853 10.247 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.991 4.176 11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.882 1.825 11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.134 1.801 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.523 1.365 13.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.835 3.026 13.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.121 1.937 13.466 1.00 0.00 H new ATOM 609 N GLU A 44 -8.476 6.019 13.205 1.00 0.00 N ATOM 610 CA GLU A 44 -7.031 6.011 13.388 1.00 0.00 C ATOM 611 C GLU A 44 -6.324 5.484 12.143 1.00 0.00 C ATOM 612 O GLU A 44 -6.955 4.925 11.247 1.00 0.00 O ATOM 613 CB GLU A 44 -6.650 5.159 14.600 1.00 0.00 C ATOM 614 CG GLU A 44 -7.418 3.851 14.693 1.00 0.00 C ATOM 615 CD GLU A 44 -6.551 2.698 15.159 1.00 0.00 C ATOM 616 OE1 GLU A 44 -5.977 2.796 16.264 1.00 0.00 O ATOM 617 OE2 GLU A 44 -6.445 1.697 14.419 1.00 0.00 O ATOM 0 H GLU A 44 -8.916 5.103 13.289 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.711 7.039 13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.583 4.941 14.559 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.823 5.737 15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.254 3.973 15.381 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.841 3.612 13.717 1.00 0.00 H new ATOM 624 N ARG A 45 -5.009 5.668 12.096 1.00 0.00 N ATOM 625 CA ARG A 45 -4.213 5.213 10.962 1.00 0.00 C ATOM 626 C ARG A 45 -3.830 3.744 11.114 1.00 0.00 C ATOM 627 O ARG A 45 -3.415 3.308 12.188 1.00 0.00 O ATOM 628 CB ARG A 45 -2.952 6.071 10.822 1.00 0.00 C ATOM 629 CG ARG A 45 -2.928 6.916 9.558 1.00 0.00 C ATOM 630 CD ARG A 45 -1.619 6.752 8.802 1.00 0.00 C ATOM 631 NE ARG A 45 -0.531 7.504 9.421 1.00 0.00 N ATOM 632 CZ ARG A 45 -0.305 8.798 9.205 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.092 9.492 8.391 1.00 0.00 N ATOM 634 NH2 ARG A 45 0.710 9.403 9.809 1.00 0.00 N ATOM 0 H ARG A 45 -4.472 6.129 12.830 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.819 5.317 10.062 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.871 6.727 11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -2.077 5.421 10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.760 6.632 8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.070 7.965 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.353 5.696 8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.751 7.086 7.773 1.00 0.00 H new ATOM 0 HE ARG A 45 0.093 7.008 10.057 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.876 9.034 7.926 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.913 10.483 8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.316 8.877 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.884 10.394 9.644 1.00 0.00 H new ATOM 648 N GLU A 46 -3.972 2.985 10.032 1.00 0.00 N ATOM 649 CA GLU A 46 -3.640 1.567 10.040 1.00 0.00 C ATOM 650 C GLU A 46 -2.927 1.175 8.753 1.00 0.00 C ATOM 651 O GLU A 46 -2.921 1.931 7.783 1.00 0.00 O ATOM 652 CB GLU A 46 -4.908 0.733 10.218 1.00 0.00 C ATOM 653 CG GLU A 46 -5.875 0.836 9.051 1.00 0.00 C ATOM 654 CD GLU A 46 -6.439 -0.510 8.640 1.00 0.00 C ATOM 655 OE1 GLU A 46 -5.655 -1.477 8.543 1.00 0.00 O ATOM 656 OE2 GLU A 46 -7.665 -0.596 8.416 1.00 0.00 O ATOM 0 H GLU A 46 -4.316 3.331 9.136 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.969 1.373 10.876 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.629 -0.312 10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.416 1.050 11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.695 1.502 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.365 1.287 8.200 1.00 0.00 H new ATOM 663 N SER A 47 -2.324 -0.006 8.749 1.00 0.00 N ATOM 664 CA SER A 47 -1.608 -0.488 7.581 1.00 0.00 C ATOM 665 C SER A 47 -2.409 -1.555 6.850 1.00 0.00 C ATOM 666 O SER A 47 -3.458 -1.996 7.320 1.00 0.00 O ATOM 667 CB SER A 47 -0.245 -1.047 7.988 1.00 0.00 C ATOM 668 OG SER A 47 0.577 -1.283 6.856 1.00 0.00 O ATOM 0 H SER A 47 -2.318 -0.646 9.543 1.00 0.00 H new ATOM 0 HA SER A 47 -1.462 0.354 6.905 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.251 -0.347 8.660 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.382 -1.977 8.540 1.00 0.00 H new ATOM 0 HG SER A 47 0.804 -0.429 6.432 1.00 0.00 H new ATOM 674 N VAL A 48 -1.903 -1.961 5.697 1.00 0.00 N ATOM 675 CA VAL A 48 -2.560 -2.978 4.883 1.00 0.00 C ATOM 676 C VAL A 48 -1.575 -4.054 4.442 1.00 0.00 C ATOM 677 O VAL A 48 -1.676 -5.208 4.858 1.00 0.00 O ATOM 678 CB VAL A 48 -3.224 -2.369 3.635 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.301 -3.298 3.096 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.801 -0.993 3.941 1.00 0.00 C ATOM 0 H VAL A 48 -1.035 -1.601 5.300 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.330 -3.426 5.511 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.459 -2.249 2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.759 -2.851 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.855 -4.255 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.062 -3.455 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.264 -0.585 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.550 -1.079 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.002 -0.329 4.271 1.00 0.00 H new ATOM 690 N ALA A 49 -0.623 -3.673 3.597 1.00 0.00 N ATOM 691 CA ALA A 49 0.375 -4.613 3.104 1.00 0.00 C ATOM 692 C ALA A 49 1.730 -3.939 2.928 1.00 0.00 C ATOM 693 O ALA A 49 1.827 -2.861 2.344 1.00 0.00 O ATOM 694 CB ALA A 49 -0.084 -5.230 1.791 1.00 0.00 C ATOM 0 H ALA A 49 -0.522 -2.723 3.241 1.00 0.00 H new ATOM 0 HA ALA A 49 0.488 -5.404 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.671 -5.930 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.024 -5.759 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.228 -4.444 1.050 1.00 0.00 H new ATOM 700 N ALA A 50 2.774 -4.582 3.440 1.00 0.00 N ATOM 701 CA ALA A 50 4.123 -4.040 3.338 1.00 0.00 C ATOM 702 C ALA A 50 5.109 -5.098 2.861 1.00 0.00 C ATOM 703 O ALA A 50 4.981 -6.272 3.191 1.00 0.00 O ATOM 704 CB ALA A 50 4.562 -3.467 4.673 1.00 0.00 C ATOM 0 H ALA A 50 2.712 -5.476 3.928 1.00 0.00 H new ATOM 0 HA ALA A 50 4.110 -3.239 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.571 -3.066 4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.880 -2.670 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.551 -4.253 5.428 1.00 0.00 H new ATOM 710 N ILE A 51 6.093 -4.671 2.081 1.00 0.00 N ATOM 711 CA ILE A 51 7.099 -5.584 1.556 1.00 0.00 C ATOM 712 C ILE A 51 8.503 -5.155 1.956 1.00 0.00 C ATOM 713 O ILE A 51 8.816 -3.963 1.989 1.00 0.00 O ATOM 714 CB ILE A 51 7.023 -5.682 0.018 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.029 -6.710 -0.504 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.266 -4.319 -0.617 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.841 -7.051 -1.967 1.00 0.00 C ATOM 0 H ILE A 51 6.216 -3.699 1.798 1.00 0.00 H new ATOM 0 HA ILE A 51 6.888 -6.562 1.988 1.00 0.00 H new ATOM 0 HB ILE A 51 6.022 -6.013 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.038 -6.326 -0.355 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.944 -7.622 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.209 -4.408 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.509 -3.616 -0.270 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.254 -3.957 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.588 -7.785 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.844 -7.465 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.955 -6.149 -2.568 1.00 0.00 H new ATOM 729 N ASN A 52 9.347 -6.137 2.251 1.00 0.00 N ATOM 730 CA ASN A 52 10.720 -5.870 2.639 1.00 0.00 C ATOM 731 C ASN A 52 11.587 -5.620 1.410 1.00 0.00 C ATOM 732 O ASN A 52 11.090 -5.599 0.284 1.00 0.00 O ATOM 733 CB ASN A 52 11.273 -7.041 3.439 1.00 0.00 C ATOM 734 CG ASN A 52 11.025 -6.898 4.927 1.00 0.00 C ATOM 735 OD1 ASN A 52 11.841 -6.330 5.653 1.00 0.00 O ATOM 736 ND2 ASN A 52 9.893 -7.414 5.391 1.00 0.00 N ATOM 0 H ASN A 52 9.100 -7.126 2.228 1.00 0.00 H new ATOM 0 HA ASN A 52 10.736 -4.975 3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.817 -7.966 3.085 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.345 -7.125 3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.672 -7.348 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.244 -7.877 4.754 1.00 0.00 H new ATOM 743 N TRP A 53 12.883 -5.434 1.631 1.00 0.00 N ATOM 744 CA TRP A 53 13.813 -5.191 0.536 1.00 0.00 C ATOM 745 C TRP A 53 14.508 -6.485 0.126 1.00 0.00 C ATOM 746 O TRP A 53 15.708 -6.655 0.341 1.00 0.00 O ATOM 747 CB TRP A 53 14.850 -4.143 0.944 1.00 0.00 C ATOM 748 CG TRP A 53 15.309 -3.288 -0.196 1.00 0.00 C ATOM 749 CD1 TRP A 53 16.475 -3.411 -0.893 1.00 0.00 C ATOM 750 CD2 TRP A 53 14.609 -2.180 -0.772 1.00 0.00 C ATOM 751 NE1 TRP A 53 16.545 -2.446 -1.868 1.00 0.00 N ATOM 752 CE2 TRP A 53 15.411 -1.677 -1.815 1.00 0.00 C ATOM 753 CE3 TRP A 53 13.383 -1.564 -0.509 1.00 0.00 C ATOM 754 CZ2 TRP A 53 15.026 -0.588 -2.592 1.00 0.00 C ATOM 755 CZ3 TRP A 53 13.001 -0.482 -1.281 1.00 0.00 C ATOM 756 CH2 TRP A 53 13.820 -0.004 -2.312 1.00 0.00 C ATOM 0 H TRP A 53 13.312 -5.447 2.556 1.00 0.00 H new ATOM 0 HA TRP A 53 13.249 -4.815 -0.317 1.00 0.00 H new ATOM 0 HB2 TRP A 53 14.426 -3.505 1.719 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.712 -4.646 1.382 1.00 0.00 H new ATOM 0 HD1 TRP A 53 17.232 -4.158 -0.706 1.00 0.00 H new ATOM 0 HE1 TRP A 53 17.315 -2.322 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 53 12.745 -1.926 0.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 15.656 -0.217 -3.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 12.056 0.002 -1.086 1.00 0.00 H new ATOM 0 HH2 TRP A 53 13.493 0.842 -2.898 1.00 0.00 H new ATOM 767 N ASP A 54 13.741 -7.399 -0.460 1.00 0.00 N ATOM 768 CA ASP A 54 14.279 -8.682 -0.894 1.00 0.00 C ATOM 769 C ASP A 54 14.837 -9.456 0.296 1.00 0.00 C ATOM 770 O ASP A 54 15.783 -10.232 0.159 1.00 0.00 O ATOM 771 CB ASP A 54 15.371 -8.473 -1.946 1.00 0.00 C ATOM 772 CG ASP A 54 15.149 -9.320 -3.184 1.00 0.00 C ATOM 773 OD1 ASP A 54 13.976 -9.557 -3.539 1.00 0.00 O ATOM 774 OD2 ASP A 54 16.149 -9.745 -3.799 1.00 0.00 O ATOM 0 H ASP A 54 12.746 -7.274 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 54 13.470 -9.262 -1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.402 -7.421 -2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.341 -8.715 -1.512 1.00 0.00 H new ATOM 779 N SER A 55 14.243 -9.234 1.466 1.00 0.00 N ATOM 780 CA SER A 55 14.678 -9.905 2.684 1.00 0.00 C ATOM 781 C SER A 55 14.022 -11.274 2.820 1.00 0.00 C ATOM 782 O SER A 55 14.704 -12.299 2.843 1.00 0.00 O ATOM 783 CB SER A 55 14.349 -9.048 3.908 1.00 0.00 C ATOM 784 OG SER A 55 14.569 -7.673 3.642 1.00 0.00 O ATOM 0 H SER A 55 13.459 -8.594 1.594 1.00 0.00 H new ATOM 0 HA SER A 55 15.757 -10.045 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.309 -9.204 4.196 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.964 -9.361 4.751 1.00 0.00 H new ATOM 0 HG SER A 55 14.350 -7.146 4.439 1.00 0.00 H new ATOM 790 N ALA A 56 12.695 -11.288 2.912 1.00 0.00 N ATOM 791 CA ALA A 56 11.960 -12.536 3.049 1.00 0.00 C ATOM 792 C ALA A 56 10.694 -12.533 2.200 1.00 0.00 C ATOM 793 O ALA A 56 10.631 -13.193 1.163 1.00 0.00 O ATOM 794 CB ALA A 56 11.616 -12.786 4.509 1.00 0.00 C ATOM 0 H ALA A 56 12.111 -10.452 2.894 1.00 0.00 H new ATOM 0 HA ALA A 56 12.600 -13.343 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.066 -13.723 4.598 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.534 -12.847 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.001 -11.967 4.883 1.00 0.00 H new ATOM 800 N ARG A 57 9.684 -11.795 2.650 1.00 0.00 N ATOM 801 CA ARG A 57 8.414 -11.721 1.934 1.00 0.00 C ATOM 802 C ARG A 57 7.662 -10.428 2.272 1.00 0.00 C ATOM 803 O ARG A 57 8.263 -9.448 2.722 1.00 0.00 O ATOM 804 CB ARG A 57 7.557 -12.946 2.278 1.00 0.00 C ATOM 805 CG ARG A 57 8.053 -14.237 1.647 1.00 0.00 C ATOM 806 CD ARG A 57 8.092 -14.137 0.129 1.00 0.00 C ATOM 807 NE ARG A 57 7.447 -15.280 -0.513 1.00 0.00 N ATOM 808 CZ ARG A 57 6.128 -15.428 -0.611 1.00 0.00 C ATOM 809 NH1 ARG A 57 5.310 -14.512 -0.107 1.00 0.00 N ATOM 810 NH2 ARG A 57 5.624 -16.496 -1.215 1.00 0.00 N ATOM 0 H ARG A 57 9.719 -11.241 3.505 1.00 0.00 H new ATOM 0 HA ARG A 57 8.619 -11.714 0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.532 -13.068 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.532 -12.764 1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.050 -14.468 2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.403 -15.061 1.942 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.598 -13.218 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.128 -14.072 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 57 8.042 -16.007 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.691 -13.689 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.300 -14.632 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.247 -17.203 -1.604 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.613 -16.610 -1.290 1.00 0.00 H new ATOM 824 N THR A 58 6.348 -10.429 2.046 1.00 0.00 N ATOM 825 CA THR A 58 5.520 -9.263 2.323 1.00 0.00 C ATOM 826 C THR A 58 4.834 -9.390 3.681 1.00 0.00 C ATOM 827 O THR A 58 5.054 -10.354 4.414 1.00 0.00 O ATOM 828 CB THR A 58 4.472 -9.080 1.221 1.00 0.00 C ATOM 829 OG1 THR A 58 4.720 -9.958 0.137 1.00 0.00 O ATOM 830 CG2 THR A 58 4.429 -7.674 0.669 1.00 0.00 C ATOM 0 H THR A 58 5.837 -11.228 1.671 1.00 0.00 H new ATOM 0 HA THR A 58 6.168 -8.387 2.346 1.00 0.00 H new ATOM 0 HB THR A 58 3.515 -9.300 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.038 -9.825 -0.554 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.667 -7.611 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.189 -6.976 1.471 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.400 -7.420 0.245 1.00 0.00 H new ATOM 838 N TYR A 59 4.009 -8.403 4.007 1.00 0.00 N ATOM 839 CA TYR A 59 3.290 -8.383 5.272 1.00 0.00 C ATOM 840 C TYR A 59 1.859 -7.893 5.072 1.00 0.00 C ATOM 841 O TYR A 59 1.599 -6.691 5.099 1.00 0.00 O ATOM 842 CB TYR A 59 4.017 -7.475 6.267 1.00 0.00 C ATOM 843 CG TYR A 59 3.241 -7.212 7.540 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.058 -8.212 8.487 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.689 -5.962 7.790 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.347 -7.972 9.647 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.977 -5.715 8.947 1.00 0.00 C ATOM 848 CZ TYR A 59 1.808 -6.722 9.872 1.00 0.00 C ATOM 849 OH TYR A 59 1.099 -6.480 11.026 1.00 0.00 O ATOM 0 H TYR A 59 3.821 -7.600 3.406 1.00 0.00 H new ATOM 0 HA TYR A 59 3.255 -9.398 5.667 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.975 -7.928 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.235 -6.523 5.783 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.478 -9.192 8.314 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.819 -5.170 7.067 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.214 -8.759 10.374 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.555 -4.737 9.126 1.00 0.00 H new ATOM 0 HH TYR A 59 0.788 -5.551 11.030 1.00 0.00 H new ATOM 859 N TYR A 60 0.938 -8.829 4.871 1.00 0.00 N ATOM 860 CA TYR A 60 -0.461 -8.492 4.666 1.00 0.00 C ATOM 861 C TYR A 60 -1.152 -8.208 5.996 1.00 0.00 C ATOM 862 O TYR A 60 -0.693 -8.646 7.051 1.00 0.00 O ATOM 863 CB TYR A 60 -1.168 -9.634 3.942 1.00 0.00 C ATOM 864 CG TYR A 60 -0.705 -9.824 2.515 1.00 0.00 C ATOM 865 CD1 TYR A 60 -1.168 -8.999 1.499 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.196 -10.829 2.186 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.746 -9.168 0.194 1.00 0.00 C ATOM 868 CE2 TYR A 60 0.623 -11.005 0.883 1.00 0.00 C ATOM 869 CZ TYR A 60 0.149 -10.173 -0.108 1.00 0.00 C ATOM 870 OH TYR A 60 0.572 -10.344 -1.406 1.00 0.00 O ATOM 0 H TYR A 60 1.138 -9.829 4.846 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.513 -7.591 4.055 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.005 -10.559 4.494 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.242 -9.446 3.945 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.870 -8.212 1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.569 -11.483 2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.115 -8.517 -0.585 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.324 -11.790 0.643 1.00 0.00 H new ATOM 0 HH TYR A 60 1.202 -11.094 -1.449 1.00 0.00 H new ATOM 880 N ALA A 61 -2.257 -7.471 5.939 1.00 0.00 N ATOM 881 CA ALA A 61 -3.007 -7.128 7.140 1.00 0.00 C ATOM 882 C ALA A 61 -4.327 -7.890 7.205 1.00 0.00 C ATOM 883 O ALA A 61 -4.682 -8.623 6.280 1.00 0.00 O ATOM 884 CB ALA A 61 -3.258 -5.629 7.194 1.00 0.00 C ATOM 0 H ALA A 61 -2.652 -7.101 5.074 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.410 -7.418 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.819 -5.386 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.305 -5.101 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.830 -5.324 6.318 1.00 0.00 H new ATOM 890 N SER A 62 -5.053 -7.710 8.302 1.00 0.00 N ATOM 891 CA SER A 62 -6.330 -8.381 8.484 1.00 0.00 C ATOM 892 C SER A 62 -7.369 -7.823 7.523 1.00 0.00 C ATOM 893 O SER A 62 -7.281 -6.671 7.099 1.00 0.00 O ATOM 894 CB SER A 62 -6.813 -8.232 9.927 1.00 0.00 C ATOM 895 OG SER A 62 -6.289 -7.058 10.523 1.00 0.00 O ATOM 0 H SER A 62 -4.778 -7.106 9.076 1.00 0.00 H new ATOM 0 HA SER A 62 -6.192 -9.441 8.270 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.902 -8.198 9.947 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.510 -9.104 10.507 1.00 0.00 H new ATOM 0 HG SER A 62 -6.615 -6.986 11.445 1.00 0.00 H new ATOM 901 N SER A 63 -8.339 -8.663 7.167 1.00 0.00 N ATOM 902 CA SER A 63 -9.400 -8.287 6.233 1.00 0.00 C ATOM 903 C SER A 63 -8.949 -8.513 4.791 1.00 0.00 C ATOM 904 O SER A 63 -9.760 -8.468 3.865 1.00 0.00 O ATOM 905 CB SER A 63 -9.822 -6.826 6.430 1.00 0.00 C ATOM 906 OG SER A 63 -11.121 -6.597 5.911 1.00 0.00 O ATOM 0 H SER A 63 -8.412 -9.619 7.515 1.00 0.00 H new ATOM 0 HA SER A 63 -10.263 -8.921 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.802 -6.578 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.108 -6.168 5.935 1.00 0.00 H new ATOM 0 HG SER A 63 -11.220 -7.069 5.058 1.00 0.00 H new ATOM 912 N VAL A 64 -7.652 -8.762 4.606 1.00 0.00 N ATOM 913 CA VAL A 64 -7.102 -9.000 3.278 1.00 0.00 C ATOM 914 C VAL A 64 -5.832 -9.847 3.343 1.00 0.00 C ATOM 915 O VAL A 64 -5.056 -9.887 2.388 1.00 0.00 O ATOM 916 CB VAL A 64 -6.784 -7.677 2.557 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.053 -6.866 2.344 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.754 -6.874 3.338 1.00 0.00 C ATOM 0 H VAL A 64 -6.966 -8.803 5.360 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.864 -9.541 2.717 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.361 -7.911 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.808 -5.935 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.754 -7.439 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.508 -6.642 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.543 -5.943 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -6.144 -6.649 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.836 -7.454 3.432 1.00 0.00 H new ATOM 928 N ARG A 65 -5.621 -10.522 4.472 1.00 0.00 N ATOM 929 CA ARG A 65 -4.454 -11.356 4.654 1.00 0.00 C ATOM 930 C ARG A 65 -4.558 -12.617 3.819 1.00 0.00 C ATOM 931 O ARG A 65 -4.904 -13.690 4.313 1.00 0.00 O ATOM 932 CB ARG A 65 -4.295 -11.707 6.127 1.00 0.00 C ATOM 933 CG ARG A 65 -2.852 -11.866 6.560 1.00 0.00 C ATOM 934 CD ARG A 65 -2.504 -13.321 6.829 1.00 0.00 C ATOM 935 NE ARG A 65 -1.654 -13.882 5.783 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.997 -15.033 5.899 1.00 0.00 C ATOM 937 NH1 ARG A 65 -1.088 -15.748 7.014 1.00 0.00 N ATOM 938 NH2 ARG A 65 -0.246 -15.472 4.897 1.00 0.00 N ATOM 0 H ARG A 65 -6.252 -10.501 5.273 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.575 -10.803 4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.763 -10.929 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.831 -12.634 6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.194 -11.471 5.786 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.675 -11.277 7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.996 -13.401 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.421 -13.905 6.903 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.558 -13.361 4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.664 -15.416 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.582 -16.630 7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.172 -14.927 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.258 -16.354 4.986 1.00 0.00 H new ATOM 952 N GLY A 66 -4.262 -12.462 2.545 1.00 0.00 N ATOM 953 CA GLY A 66 -4.326 -13.567 1.616 1.00 0.00 C ATOM 954 C GLY A 66 -5.265 -13.283 0.462 1.00 0.00 C ATOM 955 O GLY A 66 -5.494 -14.142 -0.389 1.00 0.00 O ATOM 0 H GLY A 66 -3.974 -11.576 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.328 -13.774 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.657 -14.463 2.141 1.00 0.00 H new ATOM 959 N ARG A 67 -5.815 -12.071 0.438 1.00 0.00 N ATOM 960 CA ARG A 67 -6.741 -11.672 -0.618 1.00 0.00 C ATOM 961 C ARG A 67 -6.124 -10.602 -1.514 1.00 0.00 C ATOM 962 O ARG A 67 -6.237 -10.662 -2.738 1.00 0.00 O ATOM 963 CB ARG A 67 -8.048 -11.155 -0.010 1.00 0.00 C ATOM 964 CG ARG A 67 -8.471 -11.901 1.246 1.00 0.00 C ATOM 965 CD ARG A 67 -9.827 -11.432 1.748 1.00 0.00 C ATOM 966 NE ARG A 67 -9.807 -11.148 3.181 1.00 0.00 N ATOM 967 CZ ARG A 67 -10.876 -11.226 3.971 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.060 -11.559 3.471 1.00 0.00 N ATOM 969 NH2 ARG A 67 -10.761 -10.967 5.267 1.00 0.00 N ATOM 0 H ARG A 67 -5.636 -11.350 1.137 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.953 -12.549 -1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.936 -10.097 0.226 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.841 -11.233 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.510 -12.970 1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.724 -11.754 2.026 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.126 -10.536 1.204 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.576 -12.196 1.539 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.920 -10.873 3.602 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.156 -11.757 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.874 -11.617 4.083 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.855 -10.709 5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.579 -11.026 5.873 1.00 0.00 H new ATOM 983 N PHE A 68 -5.472 -9.624 -0.896 1.00 0.00 N ATOM 984 CA PHE A 68 -4.836 -8.538 -1.635 1.00 0.00 C ATOM 985 C PHE A 68 -3.452 -8.950 -2.127 1.00 0.00 C ATOM 986 O PHE A 68 -2.789 -9.787 -1.514 1.00 0.00 O ATOM 987 CB PHE A 68 -4.726 -7.294 -0.750 1.00 0.00 C ATOM 988 CG PHE A 68 -5.999 -6.495 -0.650 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.220 -7.046 -1.014 1.00 0.00 C ATOM 990 CD2 PHE A 68 -5.972 -5.189 -0.188 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.385 -6.309 -0.919 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.133 -4.448 -0.091 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.341 -5.008 -0.457 1.00 0.00 C ATOM 0 H PHE A 68 -5.369 -9.560 0.117 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.455 -8.309 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.422 -7.599 0.251 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.937 -6.652 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.260 -8.063 -1.376 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.031 -4.745 0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.329 -6.750 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.096 -3.431 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.250 -4.430 -0.382 1.00 0.00 H new ATOM 1003 N THR A 69 -3.018 -8.353 -3.234 1.00 0.00 N ATOM 1004 CA THR A 69 -1.709 -8.655 -3.802 1.00 0.00 C ATOM 1005 C THR A 69 -0.782 -7.455 -3.681 1.00 0.00 C ATOM 1006 O THR A 69 -1.228 -6.308 -3.692 1.00 0.00 O ATOM 1007 CB THR A 69 -1.845 -9.068 -5.267 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.906 -9.991 -5.433 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.591 -9.704 -5.829 1.00 0.00 C ATOM 0 H THR A 69 -3.554 -7.658 -3.754 1.00 0.00 H new ATOM 0 HA THR A 69 -1.278 -9.485 -3.242 1.00 0.00 H new ATOM 0 HB THR A 69 -2.039 -8.143 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.763 -9.518 -5.381 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.756 -9.973 -6.872 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.236 -8.997 -5.763 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.350 -10.600 -5.257 1.00 0.00 H new ATOM 1017 N ILE A 70 0.509 -7.734 -3.548 1.00 0.00 N ATOM 1018 CA ILE A 70 1.509 -6.689 -3.399 1.00 0.00 C ATOM 1019 C ILE A 70 2.906 -7.231 -3.675 1.00 0.00 C ATOM 1020 O ILE A 70 3.259 -8.322 -3.227 1.00 0.00 O ATOM 1021 CB ILE A 70 1.437 -6.095 -1.983 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.345 -4.869 -1.843 1.00 0.00 C ATOM 1023 CG2 ILE A 70 1.773 -7.158 -0.950 1.00 0.00 C ATOM 1024 CD1 ILE A 70 3.819 -5.184 -1.900 1.00 0.00 C ATOM 0 H ILE A 70 0.887 -8.681 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 70 1.301 -5.904 -4.126 1.00 0.00 H new ATOM 0 HB ILE A 70 0.416 -5.756 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.105 -4.160 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.126 -4.375 -0.896 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.719 -6.725 0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.061 -7.980 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.781 -7.533 -1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.392 -4.263 -1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.077 -5.867 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.055 -5.650 -2.857 1.00 0.00 H new ATOM 1036 N SER A 71 3.697 -6.462 -4.414 1.00 0.00 N ATOM 1037 CA SER A 71 5.057 -6.869 -4.747 1.00 0.00 C ATOM 1038 C SER A 71 5.846 -5.711 -5.349 1.00 0.00 C ATOM 1039 O SER A 71 5.274 -4.794 -5.938 1.00 0.00 O ATOM 1040 CB SER A 71 5.033 -8.046 -5.724 1.00 0.00 C ATOM 1041 OG SER A 71 4.097 -7.827 -6.765 1.00 0.00 O ATOM 0 H SER A 71 3.421 -5.556 -4.793 1.00 0.00 H new ATOM 0 HA SER A 71 5.551 -7.177 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.026 -8.190 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.779 -8.961 -5.189 1.00 0.00 H new ATOM 0 HG SER A 71 4.103 -8.593 -7.376 1.00 0.00 H new ATOM 1047 N ARG A 72 7.166 -5.766 -5.199 1.00 0.00 N ATOM 1048 CA ARG A 72 8.043 -4.729 -5.728 1.00 0.00 C ATOM 1049 C ARG A 72 8.231 -4.901 -7.233 1.00 0.00 C ATOM 1050 O ARG A 72 8.367 -6.021 -7.725 1.00 0.00 O ATOM 1051 CB ARG A 72 9.398 -4.773 -5.021 1.00 0.00 C ATOM 1052 CG ARG A 72 10.258 -3.545 -5.269 1.00 0.00 C ATOM 1053 CD ARG A 72 11.707 -3.792 -4.879 1.00 0.00 C ATOM 1054 NE ARG A 72 12.211 -5.056 -5.413 1.00 0.00 N ATOM 1055 CZ ARG A 72 13.268 -5.700 -4.924 1.00 0.00 C ATOM 1056 NH1 ARG A 72 13.943 -5.199 -3.896 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.654 -6.848 -5.466 1.00 0.00 N ATOM 0 H ARG A 72 7.652 -6.520 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 72 7.580 -3.759 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.235 -4.880 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.941 -5.658 -5.351 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.205 -3.269 -6.322 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.865 -2.703 -4.699 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.325 -2.972 -5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.794 -3.797 -3.792 1.00 0.00 H new ATOM 0 HE ARG A 72 11.723 -5.469 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.652 -4.316 -3.477 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.752 -5.697 -3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.141 -7.237 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.464 -7.342 -5.092 1.00 0.00 H new ATOM 1071 N ASP A 73 8.233 -3.788 -7.959 1.00 0.00 N ATOM 1072 CA ASP A 73 8.399 -3.825 -9.408 1.00 0.00 C ATOM 1073 C ASP A 73 9.868 -3.992 -9.789 1.00 0.00 C ATOM 1074 O ASP A 73 10.191 -4.640 -10.784 1.00 0.00 O ATOM 1075 CB ASP A 73 7.831 -2.552 -10.036 1.00 0.00 C ATOM 1076 CG ASP A 73 7.037 -2.833 -11.296 1.00 0.00 C ATOM 1077 OD1 ASP A 73 5.889 -3.311 -11.180 1.00 0.00 O ATOM 1078 OD2 ASP A 73 7.563 -2.576 -12.399 1.00 0.00 O ATOM 0 H ASP A 73 8.122 -2.852 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 73 7.851 -4.686 -9.791 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.191 -2.047 -9.312 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.648 -1.870 -10.270 1.00 0.00 H new ATOM 1083 N ASN A 74 10.753 -3.407 -8.987 1.00 0.00 N ATOM 1084 CA ASN A 74 12.189 -3.494 -9.234 1.00 0.00 C ATOM 1085 C ASN A 74 12.580 -2.723 -10.491 1.00 0.00 C ATOM 1086 O ASN A 74 13.565 -3.054 -11.152 1.00 0.00 O ATOM 1087 CB ASN A 74 12.622 -4.957 -9.364 1.00 0.00 C ATOM 1088 CG ASN A 74 14.028 -5.192 -8.848 1.00 0.00 C ATOM 1089 OD1 ASN A 74 14.243 -5.340 -7.645 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.994 -5.228 -9.758 1.00 0.00 N ATOM 0 H ASN A 74 10.501 -2.867 -8.159 1.00 0.00 H new ATOM 0 HA ASN A 74 12.701 -3.045 -8.383 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.926 -5.589 -8.813 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.567 -5.258 -10.410 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.960 -5.383 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.770 -5.100 -10.745 1.00 0.00 H new ATOM 1097 N ALA A 75 11.807 -1.691 -10.815 1.00 0.00 N ATOM 1098 CA ALA A 75 12.077 -0.873 -11.988 1.00 0.00 C ATOM 1099 C ALA A 75 12.600 0.501 -11.584 1.00 0.00 C ATOM 1100 O ALA A 75 13.530 1.028 -12.194 1.00 0.00 O ATOM 1101 CB ALA A 75 10.823 -0.734 -12.837 1.00 0.00 C ATOM 0 H ALA A 75 10.988 -1.403 -10.280 1.00 0.00 H new ATOM 0 HA ALA A 75 12.846 -1.370 -12.579 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.041 -0.120 -13.710 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.492 -1.721 -13.161 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.036 -0.262 -12.249 1.00 0.00 H new ATOM 1107 N LYS A 76 11.996 1.073 -10.548 1.00 0.00 N ATOM 1108 CA LYS A 76 12.396 2.385 -10.054 1.00 0.00 C ATOM 1109 C LYS A 76 12.025 2.541 -8.583 1.00 0.00 C ATOM 1110 O LYS A 76 11.616 3.616 -8.144 1.00 0.00 O ATOM 1111 CB LYS A 76 11.735 3.489 -10.883 1.00 0.00 C ATOM 1112 CG LYS A 76 12.595 3.983 -12.035 1.00 0.00 C ATOM 1113 CD LYS A 76 13.835 4.705 -11.534 1.00 0.00 C ATOM 1114 CE LYS A 76 15.054 3.797 -11.552 1.00 0.00 C ATOM 1115 NZ LYS A 76 16.284 4.527 -11.964 1.00 0.00 N ATOM 0 H LYS A 76 11.225 0.647 -10.033 1.00 0.00 H new ATOM 0 HA LYS A 76 13.478 2.472 -10.150 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.790 3.118 -11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.499 4.330 -10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.891 3.139 -12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.011 4.654 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.023 5.581 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.663 5.065 -10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.201 3.368 -10.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.878 2.967 -12.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.093 3.873 -11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.153 4.915 -12.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.467 5.304 -11.297 1.00 0.00 H new ATOM 1129 N LYS A 77 12.168 1.458 -7.825 1.00 0.00 N ATOM 1130 CA LYS A 77 11.846 1.470 -6.403 1.00 0.00 C ATOM 1131 C LYS A 77 10.370 1.790 -6.187 1.00 0.00 C ATOM 1132 O LYS A 77 10.023 2.703 -5.436 1.00 0.00 O ATOM 1133 CB LYS A 77 12.718 2.491 -5.668 1.00 0.00 C ATOM 1134 CG LYS A 77 14.192 2.121 -5.638 1.00 0.00 C ATOM 1135 CD LYS A 77 15.069 3.343 -5.421 1.00 0.00 C ATOM 1136 CE LYS A 77 16.297 3.317 -6.318 1.00 0.00 C ATOM 1137 NZ LYS A 77 17.544 3.616 -5.562 1.00 0.00 N ATOM 0 H LYS A 77 12.505 0.560 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 77 12.048 0.478 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.606 3.464 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.357 2.595 -4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.370 1.398 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.466 1.637 -6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.492 4.246 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 77 15.381 3.387 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.383 2.337 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.176 4.045 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 18.357 3.588 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.473 4.562 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 17.674 2.907 -4.812 1.00 0.00 H new ATOM 1151 N THR A 78 9.504 1.032 -6.852 1.00 0.00 N ATOM 1152 CA THR A 78 8.065 1.233 -6.736 1.00 0.00 C ATOM 1153 C THR A 78 7.370 -0.041 -6.270 1.00 0.00 C ATOM 1154 O THR A 78 7.796 -1.152 -6.591 1.00 0.00 O ATOM 1155 CB THR A 78 7.478 1.680 -8.077 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.013 2.932 -8.467 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.967 1.811 -8.064 1.00 0.00 C ATOM 0 H THR A 78 9.774 0.273 -7.477 1.00 0.00 H new ATOM 0 HA THR A 78 7.896 2.012 -5.993 1.00 0.00 H new ATOM 0 HB THR A 78 7.750 0.895 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.627 3.199 -9.327 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.621 2.131 -9.047 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.520 0.848 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.672 2.549 -7.318 1.00 0.00 H new ATOM 1165 N VAL A 79 6.288 0.135 -5.523 1.00 0.00 N ATOM 1166 CA VAL A 79 5.511 -0.987 -5.018 1.00 0.00 C ATOM 1167 C VAL A 79 4.147 -1.035 -5.693 1.00 0.00 C ATOM 1168 O VAL A 79 3.512 -0.001 -5.900 1.00 0.00 O ATOM 1169 CB VAL A 79 5.321 -0.905 -3.492 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.666 -0.953 -2.783 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.549 0.352 -3.109 1.00 0.00 C ATOM 0 H VAL A 79 5.928 1.050 -5.253 1.00 0.00 H new ATOM 0 HA VAL A 79 6.067 -1.896 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 79 4.737 -1.768 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.512 -0.894 -1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.172 -1.887 -3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.279 -0.112 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.427 0.388 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.099 1.232 -3.442 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.568 0.336 -3.584 1.00 0.00 H new ATOM 1181 N TYR A 80 3.701 -2.236 -6.042 1.00 0.00 N ATOM 1182 CA TYR A 80 2.413 -2.402 -6.699 1.00 0.00 C ATOM 1183 C TYR A 80 1.550 -3.405 -5.944 1.00 0.00 C ATOM 1184 O TYR A 80 1.972 -4.534 -5.697 1.00 0.00 O ATOM 1185 CB TYR A 80 2.611 -2.866 -8.143 1.00 0.00 C ATOM 1186 CG TYR A 80 3.321 -1.867 -9.021 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.636 -1.506 -8.773 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.675 -1.300 -10.110 1.00 0.00 C ATOM 1189 CE1 TYR A 80 5.287 -0.603 -9.586 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.321 -0.399 -10.928 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.626 -0.055 -10.660 1.00 0.00 C ATOM 1192 OH TYR A 80 5.274 0.845 -11.474 1.00 0.00 O ATOM 0 H TYR A 80 4.211 -3.105 -5.881 1.00 0.00 H new ATOM 0 HA TYR A 80 1.904 -1.438 -6.702 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.178 -3.797 -8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.637 -3.088 -8.578 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.158 -1.938 -7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.650 -1.569 -10.320 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.311 -0.327 -9.380 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.807 0.034 -11.773 1.00 0.00 H new ATOM 0 HH TYR A 80 4.668 1.137 -12.187 1.00 0.00 H new ATOM 1202 N LEU A 81 0.340 -2.990 -5.578 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.570 -3.863 -4.853 1.00 0.00 C ATOM 1204 C LEU A 81 -1.882 -4.031 -5.610 1.00 0.00 C ATOM 1205 O LEU A 81 -2.578 -3.057 -5.905 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.814 -3.330 -3.429 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.097 -2.516 -3.217 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.430 -2.425 -1.736 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -1.950 -1.128 -3.816 1.00 0.00 C ATOM 0 H LEU A 81 -0.029 -2.059 -5.772 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.107 -4.846 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.830 -4.178 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.036 -2.709 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.917 -3.025 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.343 -1.844 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.576 -3.427 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.610 -1.938 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.869 -0.564 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.119 -0.611 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.756 -1.212 -4.885 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.201 -5.278 -5.926 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.414 -5.608 -6.651 1.00 0.00 C ATOM 1223 C GLN A 82 -4.492 -6.113 -5.698 1.00 0.00 C ATOM 1224 O GLN A 82 -4.512 -7.289 -5.336 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.103 -6.671 -7.694 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.923 -6.543 -8.966 1.00 0.00 C ATOM 1227 CD GLN A 82 -3.577 -7.606 -9.991 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -4.338 -8.694 -9.995 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -2.636 -7.451 -10.769 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.626 -6.086 -5.687 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.787 -4.710 -7.142 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.045 -6.618 -7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.277 -7.655 -7.259 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.983 -6.612 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.761 -5.557 -9.401 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.078 -6.598 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.415 -8.175 -11.452 1.00 0.00 H new ATOM 1238 N MET A 83 -5.385 -5.218 -5.292 1.00 0.00 N ATOM 1239 CA MET A 83 -6.461 -5.576 -4.377 1.00 0.00 C ATOM 1240 C MET A 83 -7.624 -6.217 -5.126 1.00 0.00 C ATOM 1241 O MET A 83 -8.526 -5.525 -5.601 1.00 0.00 O ATOM 1242 CB MET A 83 -6.946 -4.338 -3.622 1.00 0.00 C ATOM 1243 CG MET A 83 -5.822 -3.479 -3.086 1.00 0.00 C ATOM 1244 SD MET A 83 -6.389 -1.868 -2.510 1.00 0.00 S ATOM 1245 CE MET A 83 -6.714 -1.047 -4.068 1.00 0.00 C ATOM 0 H MET A 83 -5.385 -4.240 -5.582 1.00 0.00 H new ATOM 0 HA MET A 83 -6.071 -6.301 -3.663 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.567 -3.737 -4.287 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.579 -4.653 -2.793 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.331 -4.001 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.074 -3.338 -3.866 1.00 0.00 H new ATOM 0 HE1 MET A 83 -6.848 0.021 -3.896 1.00 0.00 H new ATOM 0 HE2 MET A 83 -5.873 -1.203 -4.744 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.619 -1.459 -4.514 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.601 -7.543 -5.225 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.655 -8.275 -5.910 1.00 0.00 C ATOM 1257 C ASN A 84 -9.847 -8.482 -4.986 1.00 0.00 C ATOM 1258 O ASN A 84 -9.800 -8.115 -3.812 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.149 -9.632 -6.415 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.637 -9.770 -6.371 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -6.030 -9.743 -5.301 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -6.022 -9.920 -7.539 1.00 0.00 N ATOM 0 H ASN A 84 -6.862 -8.131 -4.838 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.967 -7.681 -6.769 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.596 -10.424 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.490 -9.779 -7.440 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.007 -10.018 -7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.565 -9.937 -8.403 1.00 0.00 H new ATOM 1269 N SER A 85 -10.910 -9.078 -5.527 1.00 0.00 N ATOM 1270 CA SER A 85 -12.133 -9.349 -4.766 1.00 0.00 C ATOM 1271 C SER A 85 -12.342 -8.330 -3.650 1.00 0.00 C ATOM 1272 O SER A 85 -12.390 -8.677 -2.470 1.00 0.00 O ATOM 1273 CB SER A 85 -12.089 -10.756 -4.184 1.00 0.00 C ATOM 1274 OG SER A 85 -11.144 -10.847 -3.132 1.00 0.00 O ATOM 0 H SER A 85 -10.949 -9.385 -6.499 1.00 0.00 H new ATOM 0 HA SER A 85 -12.974 -9.267 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.077 -11.030 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.834 -11.469 -4.968 1.00 0.00 H new ATOM 0 HG SER A 85 -11.397 -10.233 -2.411 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.453 -7.071 -4.040 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.644 -5.986 -3.088 1.00 0.00 C ATOM 1282 C LEU A 86 -13.978 -6.119 -2.362 1.00 0.00 C ATOM 1283 O LEU A 86 -14.874 -6.837 -2.807 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.558 -4.634 -3.801 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.469 -3.697 -3.277 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.138 -3.996 -3.952 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.864 -2.243 -3.492 1.00 0.00 C ATOM 0 H LEU A 86 -12.414 -6.773 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.849 -6.045 -2.344 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.385 -4.810 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.522 -4.132 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.357 -3.866 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.375 -3.320 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.848 -5.026 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.237 -3.857 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.076 -1.592 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.006 -2.058 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.793 -2.036 -2.961 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.098 -5.422 -1.239 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.316 -5.455 -0.437 1.00 0.00 C ATOM 1301 C LYS A 87 -15.827 -4.039 -0.180 1.00 0.00 C ATOM 1302 O LYS A 87 -15.097 -3.067 -0.372 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.050 -6.171 0.891 1.00 0.00 C ATOM 1304 CG LYS A 87 -14.201 -7.424 0.749 1.00 0.00 C ATOM 1305 CD LYS A 87 -12.718 -7.109 0.852 1.00 0.00 C ATOM 1306 CE LYS A 87 -11.890 -8.373 1.015 1.00 0.00 C ATOM 1307 NZ LYS A 87 -12.308 -9.438 0.062 1.00 0.00 N ATOM 0 H LYS A 87 -13.363 -4.824 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.081 -6.003 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.553 -5.481 1.573 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.003 -6.438 1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.476 -8.140 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.407 -7.897 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.396 -6.574 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.544 -6.447 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.837 -8.140 0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.987 -8.741 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.493 -10.045 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.061 -10.012 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.662 -9.001 -0.813 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.092 -3.897 0.260 1.00 0.00 N ATOM 1322 CA PRO A 88 -17.685 -2.584 0.536 1.00 0.00 C ATOM 1323 C PRO A 88 -17.185 -1.967 1.840 1.00 0.00 C ATOM 1324 O PRO A 88 -17.666 -0.916 2.264 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.179 -2.888 0.624 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.247 -4.299 1.095 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.045 -4.996 0.515 1.00 0.00 C ATOM 0 HA PRO A 88 -17.424 -1.854 -0.230 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -19.681 -2.214 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.666 -2.769 -0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.236 -4.346 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.170 -4.775 0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.634 -5.729 1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.295 -5.530 -0.402 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.215 -2.620 2.468 1.00 0.00 N ATOM 1336 CA GLU A 89 -15.645 -2.137 3.717 1.00 0.00 C ATOM 1337 C GLU A 89 -14.225 -1.607 3.499 1.00 0.00 C ATOM 1338 O GLU A 89 -13.614 -1.053 4.412 1.00 0.00 O ATOM 1339 CB GLU A 89 -15.643 -3.264 4.757 1.00 0.00 C ATOM 1340 CG GLU A 89 -14.744 -3.000 5.953 1.00 0.00 C ATOM 1341 CD GLU A 89 -14.978 -3.979 7.086 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -14.331 -5.048 7.091 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -15.807 -3.677 7.970 1.00 0.00 O ATOM 0 H GLU A 89 -15.805 -3.491 2.129 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.258 -1.314 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.662 -3.421 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.327 -4.189 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.702 -3.056 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.914 -1.985 6.314 1.00 0.00 H new ATOM 1350 N ASP A 90 -13.704 -1.782 2.285 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.361 -1.323 1.955 1.00 0.00 C ATOM 1352 C ASP A 90 -12.354 0.163 1.602 1.00 0.00 C ATOM 1353 O ASP A 90 -11.300 0.798 1.582 1.00 0.00 O ATOM 1354 CB ASP A 90 -11.796 -2.139 0.790 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.148 -3.431 1.248 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.256 -3.371 2.120 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.533 -4.502 0.735 1.00 0.00 O ATOM 0 H ASP A 90 -14.194 -2.239 1.516 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.732 -1.466 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.598 -2.367 0.088 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.062 -1.539 0.252 1.00 0.00 H new ATOM 1362 N THR A 91 -13.534 0.715 1.323 1.00 0.00 N ATOM 1363 CA THR A 91 -13.660 2.120 0.973 1.00 0.00 C ATOM 1364 C THR A 91 -12.993 3.011 2.018 1.00 0.00 C ATOM 1365 O THR A 91 -13.506 3.176 3.125 1.00 0.00 O ATOM 1366 CB THR A 91 -15.138 2.468 0.842 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.739 1.697 -0.183 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.395 3.928 0.536 1.00 0.00 C ATOM 0 H THR A 91 -14.417 0.204 1.334 1.00 0.00 H new ATOM 0 HA THR A 91 -13.155 2.295 0.023 1.00 0.00 H new ATOM 0 HB THR A 91 -15.574 2.245 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.688 1.930 -0.254 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.468 4.100 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.987 4.545 1.336 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.915 4.192 -0.406 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.846 3.580 1.660 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.111 4.451 2.573 1.00 0.00 C ATOM 1378 C ALA A 92 -9.963 5.161 1.863 1.00 0.00 C ATOM 1379 O ALA A 92 -9.845 5.102 0.639 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.589 3.648 3.756 1.00 0.00 C ATOM 0 H ALA A 92 -11.406 3.455 0.748 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.798 5.215 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.042 4.307 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.427 3.198 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.923 2.863 3.397 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.115 5.828 2.642 1.00 0.00 N ATOM 1387 CA VAL A 93 -7.971 6.544 2.096 1.00 0.00 C ATOM 1388 C VAL A 93 -6.725 5.663 2.131 1.00 0.00 C ATOM 1389 O VAL A 93 -6.160 5.418 3.195 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.708 7.841 2.886 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.440 8.532 2.400 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -8.905 8.774 2.784 1.00 0.00 C ATOM 0 H VAL A 93 -9.201 5.886 3.657 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.199 6.802 1.062 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.562 7.578 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.279 9.444 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.588 7.865 2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.544 8.782 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.705 9.686 3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.083 9.025 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.787 8.281 3.194 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.310 5.182 0.964 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.149 4.322 0.862 1.00 0.00 C ATOM 1404 C TYR A 94 -3.869 5.138 0.725 1.00 0.00 C ATOM 1405 O TYR A 94 -3.570 5.667 -0.346 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.316 3.398 -0.340 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.011 2.096 -0.014 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.394 2.040 0.107 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.288 0.924 0.171 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.037 0.855 0.404 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -5.925 -0.267 0.468 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.300 -0.296 0.583 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.939 -1.478 0.879 1.00 0.00 O ATOM 0 H TYR A 94 -6.767 5.378 0.074 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.069 3.731 1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.883 3.919 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.334 3.180 -0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.976 2.939 -0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.212 0.943 0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.113 0.830 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.349 -1.170 0.609 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.833 -1.476 0.478 1.00 0.00 H new ATOM 1423 N THR A 95 -3.115 5.236 1.814 1.00 0.00 N ATOM 1424 CA THR A 95 -1.865 5.987 1.811 1.00 0.00 C ATOM 1425 C THR A 95 -0.668 5.045 1.882 1.00 0.00 C ATOM 1426 O THR A 95 -0.590 4.193 2.764 1.00 0.00 O ATOM 1427 CB THR A 95 -1.830 6.971 2.983 1.00 0.00 C ATOM 1428 OG1 THR A 95 -2.861 7.934 2.858 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.519 7.719 3.104 1.00 0.00 C ATOM 0 H THR A 95 -3.347 4.805 2.709 1.00 0.00 H new ATOM 0 HA THR A 95 -1.808 6.548 0.878 1.00 0.00 H new ATOM 0 HB THR A 95 -1.963 6.359 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.824 8.553 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.565 8.398 3.955 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.294 7.008 3.251 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.341 8.290 2.193 1.00 0.00 H new ATOM 1437 N CYS A 96 0.262 5.205 0.948 1.00 0.00 N ATOM 1438 CA CYS A 96 1.452 4.365 0.911 1.00 0.00 C ATOM 1439 C CYS A 96 2.575 4.979 1.740 1.00 0.00 C ATOM 1440 O CYS A 96 2.706 6.201 1.821 1.00 0.00 O ATOM 1441 CB CYS A 96 1.916 4.159 -0.532 1.00 0.00 C ATOM 1442 SG CYS A 96 2.471 5.681 -1.361 1.00 0.00 S ATOM 0 H CYS A 96 0.215 5.906 0.209 1.00 0.00 H new ATOM 0 HA CYS A 96 1.196 3.396 1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.732 3.436 -0.540 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.098 3.723 -1.106 1.00 0.00 H new ATOM 1447 N GLY A 97 3.379 4.121 2.358 1.00 0.00 N ATOM 1448 CA GLY A 97 4.479 4.593 3.177 1.00 0.00 C ATOM 1449 C GLY A 97 5.636 3.616 3.211 1.00 0.00 C ATOM 1450 O GLY A 97 5.636 2.617 2.491 1.00 0.00 O ATOM 0 H GLY A 97 3.288 3.106 2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.828 5.552 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.124 4.766 4.193 1.00 0.00 H new ATOM 1454 N ALA A 98 6.627 3.902 4.050 1.00 0.00 N ATOM 1455 CA ALA A 98 7.795 3.039 4.173 1.00 0.00 C ATOM 1456 C ALA A 98 8.204 2.874 5.631 1.00 0.00 C ATOM 1457 O ALA A 98 8.003 3.773 6.448 1.00 0.00 O ATOM 1458 CB ALA A 98 8.951 3.597 3.358 1.00 0.00 C ATOM 0 H ALA A 98 6.644 4.724 4.654 1.00 0.00 H new ATOM 0 HA ALA A 98 7.532 2.055 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.817 2.942 3.459 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.661 3.656 2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.205 4.593 3.721 1.00 0.00 H new ATOM 1464 N GLY A 99 8.778 1.719 5.953 1.00 0.00 N ATOM 1465 CA GLY A 99 9.204 1.460 7.314 1.00 0.00 C ATOM 1466 C GLY A 99 10.708 1.550 7.481 1.00 0.00 C ATOM 1467 O GLY A 99 11.460 1.254 6.553 1.00 0.00 O ATOM 0 H GLY A 99 8.955 0.959 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.724 2.174 7.983 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.868 0.467 7.613 1.00 0.00 H new ATOM 1471 N GLU A 100 11.149 1.962 8.667 1.00 0.00 N ATOM 1472 CA GLU A 100 12.575 2.092 8.948 1.00 0.00 C ATOM 1473 C GLU A 100 12.910 1.548 10.334 1.00 0.00 C ATOM 1474 O GLU A 100 12.358 1.997 11.338 1.00 0.00 O ATOM 1475 CB GLU A 100 13.007 3.557 8.849 1.00 0.00 C ATOM 1476 CG GLU A 100 12.636 4.217 7.530 1.00 0.00 C ATOM 1477 CD GLU A 100 11.776 5.453 7.715 1.00 0.00 C ATOM 1478 OE1 GLU A 100 12.320 6.497 8.133 1.00 0.00 O ATOM 1479 OE2 GLU A 100 10.560 5.377 7.442 1.00 0.00 O ATOM 0 H GLU A 100 10.540 2.211 9.447 1.00 0.00 H new ATOM 0 HA GLU A 100 13.118 1.508 8.205 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.551 4.117 9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.087 3.618 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.546 4.489 6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.104 3.499 6.906 1.00 0.00 H new ATOM 1486 N GLY A 101 13.820 0.580 10.378 1.00 0.00 N ATOM 1487 CA GLY A 101 14.217 -0.009 11.639 1.00 0.00 C ATOM 1488 C GLY A 101 13.062 -0.666 12.370 1.00 0.00 C ATOM 1489 O GLY A 101 13.141 -0.910 13.575 1.00 0.00 O ATOM 0 H GLY A 101 14.289 0.194 9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.996 -0.750 11.459 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.651 0.763 12.275 1.00 0.00 H new ATOM 1493 N GLY A 102 11.987 -0.954 11.644 1.00 0.00 N ATOM 1494 CA GLY A 102 10.830 -1.584 12.252 1.00 0.00 C ATOM 1495 C GLY A 102 9.671 -0.622 12.441 1.00 0.00 C ATOM 1496 O GLY A 102 8.558 -1.039 12.760 1.00 0.00 O ATOM 0 H GLY A 102 11.896 -0.763 10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.507 -2.418 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.114 -1.999 13.219 1.00 0.00 H new ATOM 1500 N THR A 103 9.931 0.668 12.245 1.00 0.00 N ATOM 1501 CA THR A 103 8.909 1.687 12.395 1.00 0.00 C ATOM 1502 C THR A 103 8.370 2.095 11.029 1.00 0.00 C ATOM 1503 O THR A 103 8.808 1.578 10.004 1.00 0.00 O ATOM 1504 CB THR A 103 9.510 2.895 13.105 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.319 2.485 14.192 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.484 3.870 13.642 1.00 0.00 C ATOM 0 H THR A 103 10.848 1.029 11.981 1.00 0.00 H new ATOM 0 HA THR A 103 8.084 1.291 12.987 1.00 0.00 H new ATOM 0 HB THR A 103 10.094 3.406 12.339 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.697 3.274 14.634 1.00 0.00 H new ATOM 0 HG21 THR A 103 8.993 4.700 14.132 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.878 4.250 12.820 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.841 3.362 14.361 1.00 0.00 H new ATOM 1514 N TRP A 104 7.424 3.026 11.019 1.00 0.00 N ATOM 1515 CA TRP A 104 6.833 3.505 9.776 1.00 0.00 C ATOM 1516 C TRP A 104 6.493 4.987 9.874 1.00 0.00 C ATOM 1517 O TRP A 104 5.419 5.359 10.347 1.00 0.00 O ATOM 1518 CB TRP A 104 5.580 2.700 9.438 1.00 0.00 C ATOM 1519 CG TRP A 104 5.852 1.240 9.256 1.00 0.00 C ATOM 1520 CD1 TRP A 104 5.936 0.296 10.237 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.083 0.558 8.019 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.199 -0.935 9.686 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.295 -0.800 8.325 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.128 0.962 6.681 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.548 -1.754 7.341 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.381 0.015 5.707 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.587 -1.329 6.041 1.00 0.00 C ATOM 0 H TRP A 104 7.049 3.465 11.860 1.00 0.00 H new ATOM 0 HA TRP A 104 7.564 3.371 8.979 1.00 0.00 H new ATOM 0 HB2 TRP A 104 4.846 2.830 10.233 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.135 3.097 8.526 1.00 0.00 H new ATOM 0 HD1 TRP A 104 5.814 0.488 11.293 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.305 -1.807 10.205 1.00 0.00 H new ATOM 0 HE3 TRP A 104 5.968 1.996 6.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 6.708 -2.791 7.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.420 0.317 4.671 1.00 0.00 H new ATOM 0 HH2 TRP A 104 6.781 -2.045 5.256 1.00 0.00 H new ATOM 1538 N ASP A 105 7.418 5.828 9.426 1.00 0.00 N ATOM 1539 CA ASP A 105 7.222 7.272 9.464 1.00 0.00 C ATOM 1540 C ASP A 105 7.106 7.856 8.055 1.00 0.00 C ATOM 1541 O ASP A 105 6.718 9.012 7.888 1.00 0.00 O ATOM 1542 CB ASP A 105 8.371 7.934 10.224 1.00 0.00 C ATOM 1543 CG ASP A 105 8.356 9.448 10.116 1.00 0.00 C ATOM 1544 OD1 ASP A 105 8.796 9.973 9.072 1.00 0.00 O ATOM 1545 OD2 ASP A 105 7.903 10.107 11.075 1.00 0.00 O ATOM 0 H ASP A 105 8.312 5.534 9.032 1.00 0.00 H new ATOM 0 HA ASP A 105 6.286 7.475 9.984 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.317 7.649 11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.319 7.557 9.840 1.00 0.00 H new ATOM 1550 N SER A 106 7.440 7.057 7.043 1.00 0.00 N ATOM 1551 CA SER A 106 7.364 7.511 5.661 1.00 0.00 C ATOM 1552 C SER A 106 5.959 7.309 5.105 1.00 0.00 C ATOM 1553 O SER A 106 5.396 6.219 5.198 1.00 0.00 O ATOM 1554 CB SER A 106 8.381 6.761 4.798 1.00 0.00 C ATOM 1555 OG SER A 106 9.432 7.619 4.388 1.00 0.00 O ATOM 0 H SER A 106 7.764 6.097 7.156 1.00 0.00 H new ATOM 0 HA SER A 106 7.597 8.575 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.791 5.921 5.360 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.883 6.346 3.922 1.00 0.00 H new ATOM 0 HG SER A 106 10.070 7.116 3.839 1.00 0.00 H new ATOM 1561 N TRP A 107 5.397 8.366 4.529 1.00 0.00 N ATOM 1562 CA TRP A 107 4.056 8.302 3.960 1.00 0.00 C ATOM 1563 C TRP A 107 3.996 9.030 2.623 1.00 0.00 C ATOM 1564 O TRP A 107 4.886 9.811 2.288 1.00 0.00 O ATOM 1565 CB TRP A 107 3.038 8.910 4.925 1.00 0.00 C ATOM 1566 CG TRP A 107 3.194 8.432 6.334 1.00 0.00 C ATOM 1567 CD1 TRP A 107 4.042 8.931 7.278 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.482 7.360 6.959 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.903 8.234 8.454 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.950 7.264 8.283 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.493 6.472 6.528 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.462 6.314 9.178 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 1.009 5.531 7.416 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.494 5.458 8.729 1.00 0.00 C ATOM 0 H TRP A 107 5.849 9.277 4.444 1.00 0.00 H new ATOM 0 HA TRP A 107 3.811 7.253 3.796 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.133 9.996 4.905 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.033 8.672 4.578 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.724 9.754 7.124 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.424 8.410 9.313 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.114 6.520 5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.835 6.256 10.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.244 4.840 7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 107 1.096 4.711 9.400 1.00 0.00 H new ATOM 1585 N GLY A 108 2.938 8.769 1.865 1.00 0.00 N ATOM 1586 CA GLY A 108 2.777 9.406 0.572 1.00 0.00 C ATOM 1587 C GLY A 108 1.654 10.425 0.563 1.00 0.00 C ATOM 1588 O GLY A 108 1.225 10.896 1.616 1.00 0.00 O ATOM 0 H GLY A 108 2.188 8.127 2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.710 9.896 0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.579 8.645 -0.182 1.00 0.00 H new ATOM 1592 N GLN A 109 1.176 10.765 -0.630 1.00 0.00 N ATOM 1593 CA GLN A 109 0.096 11.734 -0.772 1.00 0.00 C ATOM 1594 C GLN A 109 -1.239 11.122 -0.360 1.00 0.00 C ATOM 1595 O GLN A 109 -2.074 11.786 0.254 1.00 0.00 O ATOM 1596 CB GLN A 109 0.019 12.234 -2.214 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.783 13.515 -2.371 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.065 14.725 -1.806 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.174 14.919 -0.497 1.00 0.00 O flip ATOM 1600 NE2 GLN A 109 0.581 15.475 -2.537 1.00 0.00 N flip ATOM 0 H GLN A 109 1.520 10.384 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 109 0.307 12.577 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 109 1.030 12.400 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.427 11.458 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.992 13.682 -3.428 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.745 13.401 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.638 15.287 -3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 109 1.060 16.284 -2.142 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.431 9.852 -0.701 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.664 9.170 -0.356 1.00 0.00 C ATOM 1611 C GLY A 110 -3.631 9.087 -1.521 1.00 0.00 C ATOM 1612 O GLY A 110 -3.616 9.935 -2.412 1.00 0.00 O ATOM 0 H GLY A 110 -0.755 9.283 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.433 8.163 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.143 9.691 0.473 1.00 0.00 H new ATOM 1616 N THR A 111 -4.477 8.061 -1.508 1.00 0.00 N ATOM 1617 CA THR A 111 -5.462 7.865 -2.564 1.00 0.00 C ATOM 1618 C THR A 111 -6.650 7.074 -2.033 1.00 0.00 C ATOM 1619 O THR A 111 -6.489 5.966 -1.523 1.00 0.00 O ATOM 1620 CB THR A 111 -4.833 7.139 -3.756 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.743 7.071 -4.839 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.395 5.725 -3.437 1.00 0.00 C ATOM 0 H THR A 111 -4.499 7.352 -0.775 1.00 0.00 H new ATOM 0 HA THR A 111 -5.811 8.842 -2.899 1.00 0.00 H new ATOM 0 HB THR A 111 -3.951 7.725 -4.015 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.264 7.228 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.958 5.270 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.653 5.745 -2.638 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.257 5.141 -3.117 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.843 7.648 -2.141 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.041 6.995 -1.658 1.00 0.00 C ATOM 1632 C GLN A 112 -9.512 5.920 -2.632 1.00 0.00 C ATOM 1633 O GLN A 112 -9.419 6.083 -3.849 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.134 8.039 -1.439 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.827 7.928 -0.088 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.215 7.318 -0.168 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.416 6.408 -1.113 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.100 7.662 0.616 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.000 8.565 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.816 6.504 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.698 9.033 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.879 7.942 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.211 7.324 0.579 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.900 8.920 0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.905 8.365 1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.028 7.244 0.553 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.022 4.823 -2.083 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.516 3.718 -2.883 1.00 0.00 C ATOM 1649 C VAL A 113 -12.021 3.560 -2.689 1.00 0.00 C ATOM 1650 O VAL A 113 -12.510 3.564 -1.559 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.804 2.410 -2.493 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.476 1.201 -3.134 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.333 2.473 -2.875 1.00 0.00 C ATOM 0 H VAL A 113 -10.103 4.679 -1.076 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.310 3.934 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.879 2.295 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.950 0.293 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.513 1.143 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.447 1.301 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.844 1.541 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.243 2.619 -3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.857 3.305 -2.355 1.00 0.00 H new ATOM 1663 N THR A 114 -12.749 3.431 -3.793 1.00 0.00 N ATOM 1664 CA THR A 114 -14.196 3.283 -3.741 1.00 0.00 C ATOM 1665 C THR A 114 -14.617 1.863 -4.107 1.00 0.00 C ATOM 1666 O THR A 114 -14.156 1.304 -5.103 1.00 0.00 O ATOM 1667 CB THR A 114 -14.860 4.286 -4.683 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.522 5.613 -4.321 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.371 4.186 -4.701 1.00 0.00 C ATOM 0 H THR A 114 -12.359 3.426 -4.735 1.00 0.00 H new ATOM 0 HA THR A 114 -14.521 3.481 -2.719 1.00 0.00 H new ATOM 0 HB THR A 114 -14.485 4.039 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.255 6.216 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 114 -16.776 4.927 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.666 3.188 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.760 4.371 -3.700 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.501 1.289 -3.296 1.00 0.00 N ATOM 1678 CA VAL A 115 -15.995 -0.055 -3.527 1.00 0.00 C ATOM 1679 C VAL A 115 -17.515 -0.082 -3.443 1.00 0.00 C ATOM 1680 O VAL A 115 -18.142 0.881 -3.001 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.418 -1.059 -2.506 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.444 -2.471 -3.068 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.003 -0.669 -2.101 1.00 0.00 C ATOM 0 H VAL A 115 -15.889 1.742 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.671 -0.350 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.045 -1.033 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.033 -3.163 -2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.472 -2.753 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.846 -2.511 -3.978 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.618 -1.392 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.362 -0.659 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.014 0.323 -1.649 1.00 0.00 H new ATOM 1693 N SER A 116 -18.096 -1.188 -3.870 1.00 0.00 N ATOM 1694 CA SER A 116 -19.545 -1.353 -3.849 1.00 0.00 C ATOM 1695 C SER A 116 -19.929 -2.729 -3.315 1.00 0.00 C ATOM 1696 O SER A 116 -19.067 -3.515 -2.920 1.00 0.00 O ATOM 1697 CB SER A 116 -20.121 -1.158 -5.253 1.00 0.00 C ATOM 1698 OG SER A 116 -19.271 -1.721 -6.236 1.00 0.00 O ATOM 0 H SER A 116 -17.587 -1.992 -4.238 1.00 0.00 H new ATOM 0 HA SER A 116 -19.962 -0.597 -3.184 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.107 -1.620 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.255 -0.094 -5.450 1.00 0.00 H new ATOM 0 HG SER A 116 -19.814 -2.130 -6.942 1.00 0.00 H new ATOM 1704 N SER A 117 -21.227 -3.014 -3.306 1.00 0.00 N ATOM 1705 CA SER A 117 -21.725 -4.296 -2.820 1.00 0.00 C ATOM 1706 C SER A 117 -22.549 -5.002 -3.893 1.00 0.00 C ATOM 1707 O SER A 117 -23.418 -5.821 -3.527 1.00 0.00 O ATOM 1708 CB SER A 117 -22.571 -4.095 -1.562 1.00 0.00 C ATOM 1709 OG SER A 117 -22.474 -5.212 -0.696 1.00 0.00 O ATOM 1710 OXT SER A 117 -22.318 -4.730 -5.090 1.00 0.00 O ATOM 0 H SER A 117 -21.953 -2.375 -3.630 1.00 0.00 H new ATOM 0 HA SER A 117 -20.866 -4.922 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 117 -22.243 -3.197 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.613 -3.938 -1.842 1.00 0.00 H new ATOM 0 HG SER A 117 -23.023 -5.057 0.101 1.00 0.00 H new TER 1716 SER A 117