USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 SER OG : rot -40:sc= 0.65 USER MOD Set 1.2: A 55 SER OG : rot 33:sc= 0.438 USER MOD Set 1.3: A 83 THR OG1 : rot 130:sc= 1.55 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.886 K(o=-1.2,f=-5.5!) USER MOD Set 2.2: A 29 MET CE :methyl 147:sc= -0.341 (180deg=-0.422) USER MOD Set 2.3: A 32 THR OG1 : rot 148:sc=-0.00374 USER MOD Set 3.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 140:sc= 0.0128 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.0878 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -52:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= -0.2 (180deg=-0.762) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 34 SER OG : rot 160:sc= -2.5 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc=-0.00574 X(o=-0.0057,f=0) USER MOD Single : A 46 HIS : no HD1:sc=-0.00547 X(o=-0.0055,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 64 MET CE :methyl -177:sc= -1.76 (180deg=-1.76) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HE2:sc= -4.52! C(o=-4.5!,f=-9.9!) USER MOD Single : A 70 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.8!) USER MOD Single : A 71 ASN :FLIP amide:sc= -4.08! C(o=-5.1!,f=-4.1!) USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= -0.849 (180deg=-2.32!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 13:sc= 0.0894 USER MOD Single : A 77 THR OG1 : rot -46:sc= 0.559 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 172:sc= -1.02 (180deg=-1.11) USER MOD Single : A 85 GLN : amide:sc=-0.00628 X(o=-0.0063,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0065) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 47:sc= 0.317 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.771 -14.671 14.764 1.00 0.00 N ATOM 2 CA GLY A 1 -12.361 -14.766 15.101 1.00 0.00 C ATOM 3 C GLY A 1 -11.653 -13.428 14.876 1.00 0.00 C ATOM 4 O GLY A 1 -11.916 -12.740 13.891 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.070 -15.539 14.275 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.329 -14.553 15.634 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.925 -13.853 14.141 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.252 -15.069 16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.889 -15.538 14.493 1.00 0.00 H new ATOM 8 N SER A 2 -10.768 -13.099 15.806 1.00 0.00 N ATOM 9 CA SER A 2 -10.021 -11.856 15.722 1.00 0.00 C ATOM 10 C SER A 2 -8.789 -11.924 16.627 1.00 0.00 C ATOM 11 O SER A 2 -8.914 -12.101 17.838 1.00 0.00 O ATOM 12 CB SER A 2 -10.895 -10.661 16.104 1.00 0.00 C ATOM 13 OG SER A 2 -11.595 -10.879 17.325 1.00 0.00 O ATOM 0 H SER A 2 -10.552 -13.672 16.622 1.00 0.00 H new ATOM 0 HA SER A 2 -9.699 -11.720 14.690 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.272 -9.772 16.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.611 -10.466 15.306 1.00 0.00 H new ATOM 0 HG SER A 2 -11.063 -11.461 17.908 1.00 0.00 H new ATOM 19 N SER A 3 -7.628 -11.780 16.005 1.00 0.00 N ATOM 20 CA SER A 3 -6.375 -11.822 16.740 1.00 0.00 C ATOM 21 C SER A 3 -6.506 -11.032 18.044 1.00 0.00 C ATOM 22 O SER A 3 -6.247 -11.562 19.123 1.00 0.00 O ATOM 23 CB SER A 3 -5.224 -11.269 15.898 1.00 0.00 C ATOM 24 OG SER A 3 -4.850 -12.162 14.853 1.00 0.00 O ATOM 0 H SER A 3 -7.529 -11.634 15.000 1.00 0.00 H new ATOM 0 HA SER A 3 -6.151 -12.863 16.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.517 -10.311 15.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.363 -11.081 16.540 1.00 0.00 H new ATOM 0 HG SER A 3 -4.114 -11.772 14.337 1.00 0.00 H new ATOM 30 N GLY A 4 -6.909 -9.778 17.901 1.00 0.00 N ATOM 31 CA GLY A 4 -7.077 -8.910 19.054 1.00 0.00 C ATOM 32 C GLY A 4 -7.345 -7.467 18.620 1.00 0.00 C ATOM 33 O GLY A 4 -6.490 -6.598 18.782 1.00 0.00 O ATOM 0 H GLY A 4 -7.124 -9.342 17.004 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.904 -9.269 19.666 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.182 -8.947 19.675 1.00 0.00 H new ATOM 37 N SER A 5 -8.534 -7.258 18.076 1.00 0.00 N ATOM 38 CA SER A 5 -8.925 -5.936 17.617 1.00 0.00 C ATOM 39 C SER A 5 -7.827 -5.343 16.732 1.00 0.00 C ATOM 40 O SER A 5 -6.866 -4.761 17.235 1.00 0.00 O ATOM 41 CB SER A 5 -9.215 -5.006 18.798 1.00 0.00 C ATOM 42 OG SER A 5 -10.247 -5.517 19.638 1.00 0.00 O ATOM 0 H SER A 5 -9.240 -7.982 17.943 1.00 0.00 H new ATOM 0 HA SER A 5 -9.840 -6.034 17.033 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.306 -4.869 19.383 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.505 -4.024 18.424 1.00 0.00 H new ATOM 0 HG SER A 5 -10.402 -4.896 20.381 1.00 0.00 H new ATOM 48 N SER A 6 -8.005 -5.511 15.430 1.00 0.00 N ATOM 49 CA SER A 6 -7.041 -4.999 14.471 1.00 0.00 C ATOM 50 C SER A 6 -5.640 -5.512 14.813 1.00 0.00 C ATOM 51 O SER A 6 -5.440 -6.134 15.855 1.00 0.00 O ATOM 52 CB SER A 6 -7.053 -3.470 14.440 1.00 0.00 C ATOM 53 OG SER A 6 -6.244 -2.908 15.469 1.00 0.00 O ATOM 0 H SER A 6 -8.802 -5.994 15.017 1.00 0.00 H new ATOM 0 HA SER A 6 -7.321 -5.357 13.480 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.697 -3.124 13.470 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.077 -3.113 14.549 1.00 0.00 H new ATOM 0 HG SER A 6 -6.492 -3.301 16.332 1.00 0.00 H new ATOM 59 N GLY A 7 -4.707 -5.232 13.915 1.00 0.00 N ATOM 60 CA GLY A 7 -3.331 -5.657 14.109 1.00 0.00 C ATOM 61 C GLY A 7 -2.384 -4.883 13.189 1.00 0.00 C ATOM 62 O GLY A 7 -2.609 -4.808 11.982 1.00 0.00 O ATOM 0 H GLY A 7 -4.877 -4.716 13.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.042 -5.502 15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.245 -6.725 13.910 1.00 0.00 H new ATOM 66 N SER A 8 -1.343 -4.329 13.794 1.00 0.00 N ATOM 67 CA SER A 8 -0.361 -3.565 13.045 1.00 0.00 C ATOM 68 C SER A 8 0.764 -4.485 12.566 1.00 0.00 C ATOM 69 O SER A 8 0.852 -5.636 12.991 1.00 0.00 O ATOM 70 CB SER A 8 0.210 -2.424 13.889 1.00 0.00 C ATOM 71 OG SER A 8 -0.626 -1.270 13.862 1.00 0.00 O ATOM 0 H SER A 8 -1.159 -4.395 14.795 1.00 0.00 H new ATOM 0 HA SER A 8 -0.857 -3.127 12.179 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.331 -2.760 14.919 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.202 -2.162 13.521 1.00 0.00 H new ATOM 0 HG SER A 8 -0.979 -1.143 12.957 1.00 0.00 H new ATOM 77 N VAL A 9 1.595 -3.943 11.688 1.00 0.00 N ATOM 78 CA VAL A 9 2.710 -4.701 11.147 1.00 0.00 C ATOM 79 C VAL A 9 3.919 -3.776 10.985 1.00 0.00 C ATOM 80 O VAL A 9 3.781 -2.555 11.034 1.00 0.00 O ATOM 81 CB VAL A 9 2.297 -5.379 9.840 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.519 -4.414 8.943 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.514 -5.947 9.108 1.00 0.00 C ATOM 0 H VAL A 9 1.518 -2.988 11.338 1.00 0.00 H new ATOM 0 HA VAL A 9 2.999 -5.497 11.833 1.00 0.00 H new ATOM 0 HB VAL A 9 1.638 -6.211 10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.238 -4.922 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.621 -4.079 9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.144 -3.553 8.707 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.192 -6.424 8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.210 -5.140 8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.009 -6.683 9.742 1.00 0.00 H new ATOM 93 N SER A 10 5.075 -4.394 10.795 1.00 0.00 N ATOM 94 CA SER A 10 6.307 -3.642 10.626 1.00 0.00 C ATOM 95 C SER A 10 7.127 -4.234 9.478 1.00 0.00 C ATOM 96 O SER A 10 7.364 -5.440 9.437 1.00 0.00 O ATOM 97 CB SER A 10 7.129 -3.632 11.916 1.00 0.00 C ATOM 98 OG SER A 10 8.383 -2.979 11.745 1.00 0.00 O ATOM 0 H SER A 10 5.185 -5.407 10.754 1.00 0.00 H new ATOM 0 HA SER A 10 6.048 -2.611 10.386 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.564 -3.131 12.702 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.296 -4.657 12.247 1.00 0.00 H new ATOM 0 HG SER A 10 8.877 -2.992 12.591 1.00 0.00 H new ATOM 104 N LEU A 11 7.538 -3.357 8.573 1.00 0.00 N ATOM 105 CA LEU A 11 8.328 -3.778 7.428 1.00 0.00 C ATOM 106 C LEU A 11 9.711 -3.130 7.502 1.00 0.00 C ATOM 107 O LEU A 11 9.851 -2.010 7.992 1.00 0.00 O ATOM 108 CB LEU A 11 7.580 -3.485 6.126 1.00 0.00 C ATOM 109 CG LEU A 11 6.245 -4.209 5.941 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.731 -4.055 4.509 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.355 -5.677 6.357 1.00 0.00 C ATOM 0 H LEU A 11 7.339 -2.357 8.610 1.00 0.00 H new ATOM 0 HA LEU A 11 8.481 -4.857 7.446 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.399 -2.412 6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.230 -3.745 5.291 1.00 0.00 H new ATOM 0 HG LEU A 11 5.510 -3.743 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.781 -4.579 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.589 -2.998 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.457 -4.478 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.392 -6.168 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.109 -6.173 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.642 -5.737 7.407 1.00 0.00 H new ATOM 123 N VAL A 12 10.700 -3.861 7.008 1.00 0.00 N ATOM 124 CA VAL A 12 12.068 -3.371 7.012 1.00 0.00 C ATOM 125 C VAL A 12 12.570 -3.264 5.571 1.00 0.00 C ATOM 126 O VAL A 12 12.854 -4.276 4.932 1.00 0.00 O ATOM 127 CB VAL A 12 12.943 -4.272 7.885 1.00 0.00 C ATOM 128 CG1 VAL A 12 12.814 -5.737 7.464 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.404 -3.818 7.849 1.00 0.00 C ATOM 0 H VAL A 12 10.581 -4.789 6.602 1.00 0.00 H new ATOM 0 HA VAL A 12 12.116 -2.373 7.448 1.00 0.00 H new ATOM 0 HB VAL A 12 12.590 -4.187 8.913 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.446 -6.356 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.776 -6.055 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.127 -5.846 6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.005 -4.475 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.773 -3.860 6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.476 -2.795 8.219 1.00 0.00 H new ATOM 139 N GLY A 13 12.665 -2.029 5.101 1.00 0.00 N ATOM 140 CA GLY A 13 13.129 -1.776 3.748 1.00 0.00 C ATOM 141 C GLY A 13 13.276 -0.275 3.490 1.00 0.00 C ATOM 142 O GLY A 13 12.638 0.539 4.156 1.00 0.00 O ATOM 0 H GLY A 13 12.428 -1.192 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.087 -2.271 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.427 -2.204 3.033 1.00 0.00 H new ATOM 146 N PRO A 14 14.144 0.055 2.496 1.00 0.00 N ATOM 147 CA PRO A 14 14.384 1.443 2.142 1.00 0.00 C ATOM 148 C PRO A 14 13.206 2.019 1.352 1.00 0.00 C ATOM 149 O PRO A 14 13.190 3.207 1.034 1.00 0.00 O ATOM 150 CB PRO A 14 15.680 1.429 1.349 1.00 0.00 C ATOM 151 CG PRO A 14 15.874 -0.008 0.892 1.00 0.00 C ATOM 152 CD PRO A 14 14.917 -0.882 1.686 1.00 0.00 C ATOM 0 HA PRO A 14 14.474 2.090 3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.623 2.106 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.517 1.760 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.677 -0.099 -0.176 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.904 -0.325 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.271 -1.462 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.457 -1.594 2.311 1.00 0.00 H new ATOM 160 N ALA A 15 12.250 1.150 1.059 1.00 0.00 N ATOM 161 CA ALA A 15 11.072 1.557 0.313 1.00 0.00 C ATOM 162 C ALA A 15 10.386 0.317 -0.264 1.00 0.00 C ATOM 163 O ALA A 15 9.179 0.141 -0.106 1.00 0.00 O ATOM 164 CB ALA A 15 11.475 2.558 -0.772 1.00 0.00 C ATOM 0 H ALA A 15 12.267 0.165 1.325 1.00 0.00 H new ATOM 0 HA ALA A 15 10.357 2.056 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.591 2.863 -1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.931 3.433 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.190 2.092 -1.450 1.00 0.00 H new ATOM 170 N PRO A 16 11.206 -0.533 -0.939 1.00 0.00 N ATOM 171 CA PRO A 16 10.691 -1.751 -1.540 1.00 0.00 C ATOM 172 C PRO A 16 10.410 -2.812 -0.474 1.00 0.00 C ATOM 173 O PRO A 16 11.200 -3.738 -0.292 1.00 0.00 O ATOM 174 CB PRO A 16 11.755 -2.178 -2.538 1.00 0.00 C ATOM 175 CG PRO A 16 13.025 -1.450 -2.129 1.00 0.00 C ATOM 176 CD PRO A 16 12.640 -0.357 -1.146 1.00 0.00 C ATOM 0 HA PRO A 16 9.734 -1.602 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.900 -3.258 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.464 -1.915 -3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.732 -2.143 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.518 -1.022 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.190 -0.455 -0.210 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.864 0.632 -1.546 1.00 0.00 H new ATOM 184 N TRP A 17 9.284 -2.643 0.202 1.00 0.00 N ATOM 185 CA TRP A 17 8.890 -3.575 1.245 1.00 0.00 C ATOM 186 C TRP A 17 8.470 -4.885 0.575 1.00 0.00 C ATOM 187 O TRP A 17 8.544 -5.950 1.185 1.00 0.00 O ATOM 188 CB TRP A 17 7.793 -2.977 2.129 1.00 0.00 C ATOM 189 CG TRP A 17 7.908 -1.464 2.326 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.354 -0.492 1.590 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.649 -0.787 3.362 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.682 0.758 2.073 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.495 0.573 3.186 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.425 -1.305 4.414 1.00 0.00 C ATOM 195 CZ2 TRP A 17 9.086 1.527 4.023 1.00 0.00 C ATOM 196 CZ3 TRP A 17 10.009 -0.339 5.242 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.863 1.033 5.078 1.00 0.00 C ATOM 0 H TRP A 17 8.631 -1.874 0.048 1.00 0.00 H new ATOM 0 HA TRP A 17 9.725 -3.779 1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.822 -3.203 1.688 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.821 -3.463 3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.729 -0.665 0.727 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.383 1.653 1.685 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.560 -2.365 4.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.950 2.586 3.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.616 -0.684 6.066 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.347 1.715 5.761 1.00 0.00 H new ATOM 208 N GLY A 18 8.038 -4.762 -0.672 1.00 0.00 N ATOM 209 CA GLY A 18 7.607 -5.923 -1.432 1.00 0.00 C ATOM 210 C GLY A 18 6.080 -5.988 -1.515 1.00 0.00 C ATOM 211 O GLY A 18 5.504 -7.072 -1.582 1.00 0.00 O ATOM 0 H GLY A 18 7.977 -3.876 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.028 -5.881 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.988 -6.831 -0.964 1.00 0.00 H new ATOM 215 N PHE A 19 5.469 -4.812 -1.507 1.00 0.00 N ATOM 216 CA PHE A 19 4.021 -4.722 -1.581 1.00 0.00 C ATOM 217 C PHE A 19 3.587 -3.427 -2.271 1.00 0.00 C ATOM 218 O PHE A 19 4.200 -2.379 -2.075 1.00 0.00 O ATOM 219 CB PHE A 19 3.499 -4.718 -0.143 1.00 0.00 C ATOM 220 CG PHE A 19 3.529 -3.343 0.527 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.712 -2.351 0.081 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.373 -3.111 1.568 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.740 -1.075 0.702 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.401 -1.835 2.189 1.00 0.00 C ATOM 225 CZ PHE A 19 3.584 -0.843 1.743 1.00 0.00 C ATOM 0 H PHE A 19 5.950 -3.914 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 19 3.625 -5.559 -2.156 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.475 -5.091 -0.138 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.094 -5.413 0.450 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.042 -2.534 -0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.022 -3.898 1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.091 -0.288 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.071 -1.652 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.606 0.128 2.215 1.00 0.00 H new ATOM 235 N ARG A 20 2.533 -3.543 -3.066 1.00 0.00 N ATOM 236 CA ARG A 20 2.010 -2.394 -3.787 1.00 0.00 C ATOM 237 C ARG A 20 0.661 -1.970 -3.203 1.00 0.00 C ATOM 238 O ARG A 20 0.093 -2.674 -2.369 1.00 0.00 O ATOM 239 CB ARG A 20 1.837 -2.710 -5.274 1.00 0.00 C ATOM 240 CG ARG A 20 3.182 -2.664 -6.004 1.00 0.00 C ATOM 241 CD ARG A 20 3.045 -1.969 -7.360 1.00 0.00 C ATOM 242 NE ARG A 20 3.990 -0.833 -7.444 1.00 0.00 N ATOM 243 CZ ARG A 20 3.728 0.397 -6.984 1.00 0.00 C ATOM 244 NH1 ARG A 20 2.549 0.659 -6.404 1.00 0.00 N ATOM 245 NH2 ARG A 20 4.645 1.367 -7.103 1.00 0.00 N ATOM 0 H ARG A 20 2.027 -4.414 -3.227 1.00 0.00 H new ATOM 0 HA ARG A 20 2.728 -1.581 -3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.390 -3.697 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.150 -1.994 -5.724 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.914 -2.136 -5.393 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.557 -3.677 -6.147 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.244 -2.678 -8.163 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.023 -1.614 -7.494 1.00 0.00 H new ATOM 0 HE ARG A 20 4.898 -0.997 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.850 -0.079 -6.313 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.350 1.596 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.543 1.169 -7.544 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.445 2.304 -6.752 1.00 0.00 H new ATOM 259 N LEU A 21 0.187 -0.822 -3.664 1.00 0.00 N ATOM 260 CA LEU A 21 -1.084 -0.296 -3.197 1.00 0.00 C ATOM 261 C LEU A 21 -1.933 0.118 -4.401 1.00 0.00 C ATOM 262 O LEU A 21 -1.400 0.384 -5.478 1.00 0.00 O ATOM 263 CB LEU A 21 -0.860 0.830 -2.186 1.00 0.00 C ATOM 264 CG LEU A 21 -0.445 0.396 -0.779 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.198 1.609 0.119 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.472 -0.564 -0.176 1.00 0.00 C ATOM 0 H LEU A 21 0.660 -0.241 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.641 -1.066 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.093 1.497 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.779 1.411 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 21 0.498 -0.146 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.096 1.272 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.598 2.221 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.111 2.200 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.153 -0.857 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.442 -0.070 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.554 -1.451 -0.805 1.00 0.00 H new ATOM 278 N GLN A 22 -3.238 0.161 -4.179 1.00 0.00 N ATOM 279 CA GLN A 22 -4.165 0.538 -5.232 1.00 0.00 C ATOM 280 C GLN A 22 -5.504 0.971 -4.631 1.00 0.00 C ATOM 281 O GLN A 22 -5.959 0.397 -3.643 1.00 0.00 O ATOM 282 CB GLN A 22 -4.356 -0.605 -6.230 1.00 0.00 C ATOM 283 CG GLN A 22 -5.051 -1.798 -5.570 1.00 0.00 C ATOM 284 CD GLN A 22 -5.588 -2.771 -6.622 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.007 -3.807 -6.901 1.00 0.00 O ATOM 286 NE2 GLN A 22 -6.726 -2.381 -7.188 1.00 0.00 N ATOM 0 H GLN A 22 -3.676 -0.059 -3.284 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.743 1.383 -5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.947 -0.258 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.388 -0.915 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.350 -2.315 -4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.871 -1.445 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -7.160 -1.501 -6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.165 -2.961 -7.903 1.00 0.00 H new ATOM 295 N GLY A 23 -6.096 1.981 -5.252 1.00 0.00 N ATOM 296 CA GLY A 23 -7.373 2.497 -4.791 1.00 0.00 C ATOM 297 C GLY A 23 -7.201 3.857 -4.110 1.00 0.00 C ATOM 298 O GLY A 23 -6.228 4.565 -4.366 1.00 0.00 O ATOM 0 H GLY A 23 -5.715 2.455 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.057 2.592 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.824 1.791 -4.093 1.00 0.00 H new ATOM 302 N GLY A 24 -8.162 4.182 -3.257 1.00 0.00 N ATOM 303 CA GLY A 24 -8.129 5.444 -2.539 1.00 0.00 C ATOM 304 C GLY A 24 -9.354 6.298 -2.873 1.00 0.00 C ATOM 305 O GLY A 24 -10.349 5.788 -3.386 1.00 0.00 O ATOM 0 H GLY A 24 -8.968 3.593 -3.047 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.095 5.255 -1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.221 5.989 -2.796 1.00 0.00 H new ATOM 309 N LYS A 25 -9.242 7.582 -2.568 1.00 0.00 N ATOM 310 CA LYS A 25 -10.328 8.511 -2.830 1.00 0.00 C ATOM 311 C LYS A 25 -10.371 8.831 -4.325 1.00 0.00 C ATOM 312 O LYS A 25 -11.429 8.758 -4.949 1.00 0.00 O ATOM 313 CB LYS A 25 -10.200 9.749 -1.940 1.00 0.00 C ATOM 314 CG LYS A 25 -11.570 10.380 -1.679 1.00 0.00 C ATOM 315 CD LYS A 25 -11.658 10.929 -0.253 1.00 0.00 C ATOM 316 CE LYS A 25 -11.583 9.798 0.775 1.00 0.00 C ATOM 317 NZ LYS A 25 -12.517 8.708 0.415 1.00 0.00 N ATOM 0 H LYS A 25 -8.416 8.001 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.286 8.059 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.736 9.474 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.545 10.478 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.746 11.184 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.352 9.637 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.847 11.636 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.591 11.478 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.565 9.411 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.827 10.182 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.672 8.097 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.424 9.115 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.112 8.145 -0.360 1.00 0.00 H new ATOM 331 N ASP A 26 -9.208 9.178 -4.857 1.00 0.00 N ATOM 332 CA ASP A 26 -9.100 9.509 -6.268 1.00 0.00 C ATOM 333 C ASP A 26 -9.524 8.300 -7.105 1.00 0.00 C ATOM 334 O ASP A 26 -9.869 8.443 -8.277 1.00 0.00 O ATOM 335 CB ASP A 26 -7.659 9.861 -6.642 1.00 0.00 C ATOM 336 CG ASP A 26 -7.380 9.937 -8.144 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.278 10.425 -8.864 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.276 9.505 -8.539 1.00 0.00 O ATOM 0 H ASP A 26 -8.333 9.237 -4.337 1.00 0.00 H new ATOM 0 HA ASP A 26 -9.743 10.367 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -7.407 10.821 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.994 9.118 -6.201 1.00 0.00 H new ATOM 343 N PHE A 27 -9.483 7.138 -6.471 1.00 0.00 N ATOM 344 CA PHE A 27 -9.858 5.905 -7.142 1.00 0.00 C ATOM 345 C PHE A 27 -11.275 5.479 -6.754 1.00 0.00 C ATOM 346 O PHE A 27 -11.813 4.522 -7.308 1.00 0.00 O ATOM 347 CB PHE A 27 -8.871 4.829 -6.686 1.00 0.00 C ATOM 348 CG PHE A 27 -7.476 4.964 -7.298 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.699 6.036 -6.988 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.012 4.012 -8.151 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.403 6.162 -7.556 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.717 4.138 -8.719 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.940 5.211 -8.410 1.00 0.00 C ATOM 0 H PHE A 27 -9.196 7.024 -5.499 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.833 6.047 -8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.785 4.866 -5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.275 3.849 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.067 6.792 -6.310 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.629 3.160 -8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.786 7.013 -7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.349 3.382 -9.397 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.955 5.307 -8.843 1.00 0.00 H new ATOM 363 N ASN A 28 -11.840 6.210 -5.804 1.00 0.00 N ATOM 364 CA ASN A 28 -13.184 5.920 -5.335 1.00 0.00 C ATOM 365 C ASN A 28 -13.226 4.499 -4.768 1.00 0.00 C ATOM 366 O ASN A 28 -14.126 3.726 -5.089 1.00 0.00 O ATOM 367 CB ASN A 28 -14.196 6.002 -6.479 1.00 0.00 C ATOM 368 CG ASN A 28 -14.692 7.437 -6.670 1.00 0.00 C ATOM 369 OD1 ASN A 28 -13.966 8.401 -6.491 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.966 7.524 -7.043 1.00 0.00 N ATOM 0 H ASN A 28 -11.391 7.003 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.441 6.655 -4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.737 5.646 -7.401 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -15.041 5.346 -6.270 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.391 8.438 -7.197 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -16.518 6.676 -7.175 1.00 0.00 H new ATOM 377 N MET A 29 -12.240 4.200 -3.935 1.00 0.00 N ATOM 378 CA MET A 29 -12.154 2.886 -3.320 1.00 0.00 C ATOM 379 C MET A 29 -11.159 2.889 -2.157 1.00 0.00 C ATOM 380 O MET A 29 -10.368 3.820 -2.015 1.00 0.00 O ATOM 381 CB MET A 29 -11.712 1.861 -4.367 1.00 0.00 C ATOM 382 CG MET A 29 -10.187 1.748 -4.414 1.00 0.00 C ATOM 383 SD MET A 29 -9.700 0.587 -5.680 1.00 0.00 S ATOM 384 CE MET A 29 -9.052 -0.728 -4.662 1.00 0.00 C ATOM 0 H MET A 29 -11.494 4.844 -3.672 1.00 0.00 H new ATOM 0 HA MET A 29 -13.138 2.622 -2.932 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.145 0.888 -4.134 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.089 2.152 -5.348 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.748 2.725 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.808 1.423 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.244 -1.688 -5.142 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.978 -0.594 -4.535 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.538 -0.706 -3.687 1.00 0.00 H new ATOM 394 N PRO A 30 -11.234 1.809 -1.334 1.00 0.00 N ATOM 395 CA PRO A 30 -10.350 1.679 -0.188 1.00 0.00 C ATOM 396 C PRO A 30 -8.937 1.290 -0.627 1.00 0.00 C ATOM 397 O PRO A 30 -8.755 0.691 -1.686 1.00 0.00 O ATOM 398 CB PRO A 30 -11.006 0.633 0.698 1.00 0.00 C ATOM 399 CG PRO A 30 -11.980 -0.118 -0.195 1.00 0.00 C ATOM 400 CD PRO A 30 -12.158 0.688 -1.472 1.00 0.00 C ATOM 0 HA PRO A 30 -10.222 2.616 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.263 -0.043 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.524 1.100 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.600 -1.114 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.937 -0.250 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.926 0.090 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.186 1.033 -1.582 1.00 0.00 H new ATOM 408 N LEU A 31 -7.973 1.647 0.209 1.00 0.00 N ATOM 409 CA LEU A 31 -6.582 1.343 -0.080 1.00 0.00 C ATOM 410 C LEU A 31 -6.328 -0.146 0.167 1.00 0.00 C ATOM 411 O LEU A 31 -6.429 -0.617 1.298 1.00 0.00 O ATOM 412 CB LEU A 31 -5.655 2.265 0.716 1.00 0.00 C ATOM 413 CG LEU A 31 -5.419 3.654 0.121 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.272 4.705 1.224 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.220 3.648 -0.828 1.00 0.00 C ATOM 0 H LEU A 31 -8.128 2.144 1.086 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.360 1.535 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.068 2.386 1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.690 1.770 0.826 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.294 3.926 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.105 5.684 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.181 4.732 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.425 4.449 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.075 4.648 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.326 3.345 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.404 2.946 -1.642 1.00 0.00 H new ATOM 427 N THR A 32 -6.003 -0.844 -0.911 1.00 0.00 N ATOM 428 CA THR A 32 -5.734 -2.270 -0.826 1.00 0.00 C ATOM 429 C THR A 32 -4.334 -2.581 -1.361 1.00 0.00 C ATOM 430 O THR A 32 -3.705 -1.734 -1.992 1.00 0.00 O ATOM 431 CB THR A 32 -6.847 -3.006 -1.573 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.266 -2.081 -2.573 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.094 -3.213 -0.711 1.00 0.00 C ATOM 0 H THR A 32 -5.920 -0.449 -1.848 1.00 0.00 H new ATOM 0 HA THR A 32 -5.736 -2.612 0.209 1.00 0.00 H new ATOM 0 HB THR A 32 -6.477 -3.973 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.560 -2.571 -3.369 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.853 -3.740 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.835 -3.802 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.484 -2.245 -0.397 1.00 0.00 H new ATOM 441 N ILE A 33 -3.889 -3.799 -1.088 1.00 0.00 N ATOM 442 CA ILE A 33 -2.576 -4.232 -1.533 1.00 0.00 C ATOM 443 C ILE A 33 -2.641 -4.600 -3.017 1.00 0.00 C ATOM 444 O ILE A 33 -3.146 -5.663 -3.375 1.00 0.00 O ATOM 445 CB ILE A 33 -2.054 -5.361 -0.642 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.988 -4.919 0.821 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.705 -5.878 -1.146 1.00 0.00 C ATOM 448 CD1 ILE A 33 -1.017 -3.750 0.997 1.00 0.00 C ATOM 0 H ILE A 33 -4.415 -4.499 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.854 -3.421 -1.436 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.758 -6.192 -0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.981 -4.626 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.672 -5.756 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.356 -6.680 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.817 -6.258 -2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.021 -5.065 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.989 -3.455 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.020 -4.054 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.350 -2.907 0.392 1.00 0.00 H new ATOM 460 N SER A 34 -2.123 -3.700 -3.840 1.00 0.00 N ATOM 461 CA SER A 34 -2.116 -3.917 -5.277 1.00 0.00 C ATOM 462 C SER A 34 -1.606 -5.324 -5.591 1.00 0.00 C ATOM 463 O SER A 34 -2.275 -6.091 -6.281 1.00 0.00 O ATOM 464 CB SER A 34 -1.256 -2.869 -5.987 1.00 0.00 C ATOM 465 OG SER A 34 -0.261 -3.467 -6.814 1.00 0.00 O ATOM 0 H SER A 34 -1.705 -2.819 -3.539 1.00 0.00 H new ATOM 0 HA SER A 34 -3.138 -3.818 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.894 -2.227 -6.594 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.776 -2.231 -5.245 1.00 0.00 H new ATOM 0 HG SER A 34 0.046 -2.816 -7.479 1.00 0.00 H new ATOM 471 N SER A 35 -0.424 -5.621 -5.070 1.00 0.00 N ATOM 472 CA SER A 35 0.183 -6.923 -5.287 1.00 0.00 C ATOM 473 C SER A 35 1.245 -7.190 -4.218 1.00 0.00 C ATOM 474 O SER A 35 1.526 -6.326 -3.389 1.00 0.00 O ATOM 475 CB SER A 35 0.801 -7.017 -6.683 1.00 0.00 C ATOM 476 OG SER A 35 0.071 -7.898 -7.532 1.00 0.00 O ATOM 0 H SER A 35 0.129 -4.982 -4.498 1.00 0.00 H new ATOM 0 HA SER A 35 -0.597 -7.680 -5.213 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.834 -6.025 -7.133 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.831 -7.364 -6.601 1.00 0.00 H new ATOM 0 HG SER A 35 0.496 -7.929 -8.414 1.00 0.00 H new ATOM 482 N LEU A 36 1.805 -8.390 -4.272 1.00 0.00 N ATOM 483 CA LEU A 36 2.829 -8.781 -3.318 1.00 0.00 C ATOM 484 C LEU A 36 4.137 -9.051 -4.064 1.00 0.00 C ATOM 485 O LEU A 36 4.149 -9.143 -5.291 1.00 0.00 O ATOM 486 CB LEU A 36 2.349 -9.961 -2.471 1.00 0.00 C ATOM 487 CG LEU A 36 2.110 -9.668 -0.988 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.419 -9.728 -0.199 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.389 -8.331 -0.803 1.00 0.00 C ATOM 0 H LEU A 36 1.569 -9.104 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 36 3.024 -7.972 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.421 -10.338 -2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.084 -10.762 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 36 1.458 -10.444 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.221 -9.516 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.855 -10.723 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.116 -8.988 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.231 -8.147 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.995 -7.529 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.426 -8.363 -1.312 1.00 0.00 H new ATOM 501 N LYS A 37 5.207 -9.171 -3.292 1.00 0.00 N ATOM 502 CA LYS A 37 6.518 -9.430 -3.864 1.00 0.00 C ATOM 503 C LYS A 37 7.031 -10.781 -3.363 1.00 0.00 C ATOM 504 O LYS A 37 7.023 -11.046 -2.162 1.00 0.00 O ATOM 505 CB LYS A 37 7.468 -8.265 -3.575 1.00 0.00 C ATOM 506 CG LYS A 37 8.886 -8.583 -4.054 1.00 0.00 C ATOM 507 CD LYS A 37 9.576 -7.329 -4.594 1.00 0.00 C ATOM 508 CE LYS A 37 10.963 -7.661 -5.146 1.00 0.00 C ATOM 509 NZ LYS A 37 11.520 -6.503 -5.881 1.00 0.00 N ATOM 0 H LYS A 37 5.193 -9.094 -2.275 1.00 0.00 H new ATOM 0 HA LYS A 37 6.453 -9.497 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.106 -7.364 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.480 -8.057 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.468 -8.996 -3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.849 -9.345 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.965 -6.883 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.665 -6.588 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.630 -7.935 -4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.900 -8.524 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.462 -6.746 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.891 -6.259 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.599 -5.689 -5.238 1.00 0.00 H new ATOM 523 N ASP A 38 7.466 -11.601 -4.309 1.00 0.00 N ATOM 524 CA ASP A 38 7.982 -12.918 -3.979 1.00 0.00 C ATOM 525 C ASP A 38 8.865 -12.818 -2.734 1.00 0.00 C ATOM 526 O ASP A 38 9.783 -12.000 -2.684 1.00 0.00 O ATOM 527 CB ASP A 38 8.834 -13.478 -5.120 1.00 0.00 C ATOM 528 CG ASP A 38 8.050 -14.193 -6.221 1.00 0.00 C ATOM 529 OD1 ASP A 38 7.199 -15.034 -5.858 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.320 -13.884 -7.402 1.00 0.00 O ATOM 0 H ASP A 38 7.471 -11.378 -5.304 1.00 0.00 H new ATOM 0 HA ASP A 38 7.133 -13.579 -3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.397 -12.659 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.562 -14.174 -4.702 1.00 0.00 H new ATOM 535 N GLY A 39 8.557 -13.661 -1.759 1.00 0.00 N ATOM 536 CA GLY A 39 9.312 -13.677 -0.518 1.00 0.00 C ATOM 537 C GLY A 39 9.689 -12.258 -0.087 1.00 0.00 C ATOM 538 O GLY A 39 10.866 -11.956 0.104 1.00 0.00 O ATOM 0 H GLY A 39 7.795 -14.338 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.722 -14.154 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.215 -14.274 -0.645 1.00 0.00 H new ATOM 542 N GLY A 40 8.668 -11.425 0.054 1.00 0.00 N ATOM 543 CA GLY A 40 8.878 -10.046 0.459 1.00 0.00 C ATOM 544 C GLY A 40 8.477 -9.836 1.920 1.00 0.00 C ATOM 545 O GLY A 40 7.728 -10.634 2.483 1.00 0.00 O ATOM 0 H GLY A 40 7.693 -11.679 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.926 -9.779 0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.296 -9.383 -0.181 1.00 0.00 H new ATOM 549 N LYS A 41 8.993 -8.759 2.494 1.00 0.00 N ATOM 550 CA LYS A 41 8.699 -8.435 3.879 1.00 0.00 C ATOM 551 C LYS A 41 7.187 -8.507 4.105 1.00 0.00 C ATOM 552 O LYS A 41 6.725 -9.184 5.022 1.00 0.00 O ATOM 553 CB LYS A 41 9.312 -7.085 4.255 1.00 0.00 C ATOM 554 CG LYS A 41 10.841 -7.148 4.219 1.00 0.00 C ATOM 555 CD LYS A 41 11.391 -6.405 3.000 1.00 0.00 C ATOM 556 CE LYS A 41 12.342 -7.296 2.198 1.00 0.00 C ATOM 557 NZ LYS A 41 12.423 -6.836 0.794 1.00 0.00 N ATOM 0 H LYS A 41 9.613 -8.099 2.024 1.00 0.00 H new ATOM 0 HA LYS A 41 9.157 -9.165 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.960 -6.317 3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.980 -6.796 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.248 -6.710 5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.165 -8.188 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.567 -6.082 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.915 -5.506 3.324 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.334 -7.279 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.995 -8.329 2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.072 -7.452 0.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.478 -6.875 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.775 -5.858 0.769 1.00 0.00 H new ATOM 571 N ALA A 42 6.459 -7.800 3.253 1.00 0.00 N ATOM 572 CA ALA A 42 5.009 -7.776 3.348 1.00 0.00 C ATOM 573 C ALA A 42 4.492 -9.202 3.546 1.00 0.00 C ATOM 574 O ALA A 42 3.947 -9.528 4.600 1.00 0.00 O ATOM 575 CB ALA A 42 4.427 -7.112 2.098 1.00 0.00 C ATOM 0 H ALA A 42 6.846 -7.240 2.494 1.00 0.00 H new ATOM 0 HA ALA A 42 4.690 -7.188 4.208 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.339 -7.094 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.803 -6.092 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.724 -7.677 1.214 1.00 0.00 H new ATOM 581 N SER A 43 4.680 -10.014 2.516 1.00 0.00 N ATOM 582 CA SER A 43 4.239 -11.398 2.564 1.00 0.00 C ATOM 583 C SER A 43 4.681 -12.043 3.878 1.00 0.00 C ATOM 584 O SER A 43 3.891 -12.712 4.542 1.00 0.00 O ATOM 585 CB SER A 43 4.783 -12.191 1.374 1.00 0.00 C ATOM 586 OG SER A 43 4.631 -13.596 1.554 1.00 0.00 O ATOM 0 H SER A 43 5.132 -9.740 1.643 1.00 0.00 H new ATOM 0 HA SER A 43 3.151 -11.412 2.508 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.264 -11.884 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.838 -11.956 1.233 1.00 0.00 H new ATOM 0 HG SER A 43 4.989 -14.067 0.772 1.00 0.00 H new ATOM 592 N GLN A 44 5.943 -11.820 4.215 1.00 0.00 N ATOM 593 CA GLN A 44 6.500 -12.371 5.438 1.00 0.00 C ATOM 594 C GLN A 44 5.658 -11.948 6.643 1.00 0.00 C ATOM 595 O GLN A 44 5.643 -12.632 7.665 1.00 0.00 O ATOM 596 CB GLN A 44 7.961 -11.950 5.615 1.00 0.00 C ATOM 597 CG GLN A 44 8.905 -12.946 4.939 1.00 0.00 C ATOM 598 CD GLN A 44 10.364 -12.636 5.278 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.140 -12.192 4.448 1.00 0.00 O ATOM 600 NE2 GLN A 44 10.692 -12.893 6.541 1.00 0.00 N ATOM 0 H GLN A 44 6.596 -11.265 3.662 1.00 0.00 H new ATOM 0 HA GLN A 44 6.476 -13.458 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.111 -10.957 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.198 -11.883 6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.661 -13.959 5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.764 -12.911 3.859 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.993 -13.264 7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.643 -12.719 6.867 1.00 0.00 H new ATOM 609 N ALA A 45 4.978 -10.822 6.483 1.00 0.00 N ATOM 610 CA ALA A 45 4.135 -10.299 7.545 1.00 0.00 C ATOM 611 C ALA A 45 2.735 -10.905 7.424 1.00 0.00 C ATOM 612 O ALA A 45 1.801 -10.454 8.086 1.00 0.00 O ATOM 613 CB ALA A 45 4.118 -8.771 7.477 1.00 0.00 C ATOM 0 H ALA A 45 4.994 -10.257 5.634 1.00 0.00 H new ATOM 0 HA ALA A 45 4.531 -10.577 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.486 -8.378 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.132 -8.390 7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.724 -8.454 6.511 1.00 0.00 H new ATOM 619 N HIS A 46 2.634 -11.916 6.574 1.00 0.00 N ATOM 620 CA HIS A 46 1.364 -12.588 6.358 1.00 0.00 C ATOM 621 C HIS A 46 0.366 -11.610 5.734 1.00 0.00 C ATOM 622 O HIS A 46 -0.819 -11.631 6.065 1.00 0.00 O ATOM 623 CB HIS A 46 0.850 -13.210 7.658 1.00 0.00 C ATOM 624 CG HIS A 46 1.572 -14.474 8.061 1.00 0.00 C ATOM 625 ND1 HIS A 46 0.957 -15.497 8.761 1.00 0.00 N ATOM 626 CD2 HIS A 46 2.861 -14.869 7.854 1.00 0.00 C ATOM 627 CE1 HIS A 46 1.846 -16.459 8.962 1.00 0.00 C ATOM 628 NE2 HIS A 46 3.025 -16.068 8.399 1.00 0.00 N ATOM 0 H HIS A 46 3.411 -12.286 6.027 1.00 0.00 H new ATOM 0 HA HIS A 46 1.499 -13.412 5.658 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.944 -12.479 8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.212 -13.429 7.549 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.620 -14.302 7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.668 -17.389 9.481 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.890 -16.608 8.397 1.00 0.00 H new ATOM 636 N VAL A 47 0.882 -10.776 4.843 1.00 0.00 N ATOM 637 CA VAL A 47 0.051 -9.793 4.170 1.00 0.00 C ATOM 638 C VAL A 47 -0.450 -10.375 2.846 1.00 0.00 C ATOM 639 O VAL A 47 0.340 -10.639 1.942 1.00 0.00 O ATOM 640 CB VAL A 47 0.826 -8.486 3.993 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.006 -7.464 3.203 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.255 -7.916 5.346 1.00 0.00 C ATOM 0 H VAL A 47 1.865 -10.761 4.572 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.825 -9.557 4.773 1.00 0.00 H new ATOM 0 HB VAL A 47 1.727 -8.706 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.580 -6.544 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.227 -7.868 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.921 -7.251 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.804 -6.987 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.372 -7.719 5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.895 -8.635 5.857 1.00 0.00 H new ATOM 652 N ARG A 48 -1.761 -10.557 2.775 1.00 0.00 N ATOM 653 CA ARG A 48 -2.376 -11.102 1.577 1.00 0.00 C ATOM 654 C ARG A 48 -2.966 -9.978 0.724 1.00 0.00 C ATOM 655 O ARG A 48 -3.147 -8.859 1.203 1.00 0.00 O ATOM 656 CB ARG A 48 -3.483 -12.098 1.931 1.00 0.00 C ATOM 657 CG ARG A 48 -2.933 -13.524 2.011 1.00 0.00 C ATOM 658 CD ARG A 48 -3.441 -14.238 3.264 1.00 0.00 C ATOM 659 NE ARG A 48 -2.912 -13.573 4.476 1.00 0.00 N ATOM 660 CZ ARG A 48 -3.430 -13.723 5.702 1.00 0.00 C ATOM 661 NH1 ARG A 48 -4.495 -14.516 5.888 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.885 -13.080 6.744 1.00 0.00 N ATOM 0 H ARG A 48 -2.414 -10.337 3.527 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.601 -11.621 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.932 -11.824 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.273 -12.051 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.231 -14.083 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.843 -13.497 2.020 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.531 -14.229 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.131 -15.283 3.248 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.102 -12.962 4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.911 -15.005 5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.889 -14.630 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.075 -12.476 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.280 -13.195 7.677 1.00 0.00 H new ATOM 676 N ILE A 49 -3.249 -10.313 -0.526 1.00 0.00 N ATOM 677 CA ILE A 49 -3.814 -9.345 -1.451 1.00 0.00 C ATOM 678 C ILE A 49 -5.250 -9.023 -1.031 1.00 0.00 C ATOM 679 O ILE A 49 -6.019 -9.923 -0.698 1.00 0.00 O ATOM 680 CB ILE A 49 -3.692 -9.845 -2.892 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.234 -9.830 -3.356 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.601 -9.047 -3.828 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.146 -9.776 -4.882 1.00 0.00 C ATOM 0 H ILE A 49 -3.098 -11.241 -0.920 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.253 -8.411 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.029 -10.881 -2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.721 -8.969 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.723 -10.720 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.495 -9.423 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.637 -9.154 -3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.319 -7.994 -3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.099 -9.766 -5.186 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.639 -10.651 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.637 -8.872 -5.243 1.00 0.00 H new ATOM 695 N GLY A 50 -5.567 -7.737 -1.061 1.00 0.00 N ATOM 696 CA GLY A 50 -6.897 -7.285 -0.688 1.00 0.00 C ATOM 697 C GLY A 50 -6.883 -6.621 0.690 1.00 0.00 C ATOM 698 O GLY A 50 -7.854 -5.974 1.081 1.00 0.00 O ATOM 0 H GLY A 50 -4.926 -6.994 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.267 -6.580 -1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.584 -8.131 -0.681 1.00 0.00 H new ATOM 702 N ASP A 51 -5.772 -6.803 1.389 1.00 0.00 N ATOM 703 CA ASP A 51 -5.619 -6.229 2.715 1.00 0.00 C ATOM 704 C ASP A 51 -5.859 -4.719 2.643 1.00 0.00 C ATOM 705 O ASP A 51 -5.299 -4.039 1.785 1.00 0.00 O ATOM 706 CB ASP A 51 -4.207 -6.458 3.255 1.00 0.00 C ATOM 707 CG ASP A 51 -3.893 -7.902 3.652 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.730 -8.773 3.332 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.823 -8.102 4.267 1.00 0.00 O ATOM 0 H ASP A 51 -4.969 -7.340 1.062 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.340 -6.710 3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.489 -6.141 2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.058 -5.817 4.124 1.00 0.00 H new ATOM 714 N VAL A 52 -6.691 -4.240 3.556 1.00 0.00 N ATOM 715 CA VAL A 52 -7.011 -2.824 3.607 1.00 0.00 C ATOM 716 C VAL A 52 -6.139 -2.146 4.666 1.00 0.00 C ATOM 717 O VAL A 52 -6.116 -2.571 5.820 1.00 0.00 O ATOM 718 CB VAL A 52 -8.509 -2.634 3.855 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.850 -1.156 4.050 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.334 -3.242 2.719 1.00 0.00 C ATOM 0 H VAL A 52 -7.153 -4.808 4.266 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.791 -2.348 2.651 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.765 -3.160 4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.921 -1.050 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.302 -0.766 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.571 -0.597 3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.395 -3.093 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.071 -2.757 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.124 -4.309 2.648 1.00 0.00 H new ATOM 730 N VAL A 53 -5.444 -1.104 4.236 1.00 0.00 N ATOM 731 CA VAL A 53 -4.573 -0.363 5.133 1.00 0.00 C ATOM 732 C VAL A 53 -5.412 0.610 5.963 1.00 0.00 C ATOM 733 O VAL A 53 -5.877 1.627 5.452 1.00 0.00 O ATOM 734 CB VAL A 53 -3.468 0.331 4.334 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.546 1.131 5.256 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.673 -0.679 3.506 1.00 0.00 C ATOM 0 H VAL A 53 -5.466 -0.755 3.278 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.077 -1.039 5.829 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.941 1.030 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.769 1.614 4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.126 1.889 5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.085 0.460 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.894 -0.159 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.216 -1.413 4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.342 -1.185 2.810 1.00 0.00 H new ATOM 746 N LEU A 54 -5.581 0.264 7.231 1.00 0.00 N ATOM 747 CA LEU A 54 -6.356 1.094 8.137 1.00 0.00 C ATOM 748 C LEU A 54 -5.561 2.359 8.469 1.00 0.00 C ATOM 749 O LEU A 54 -6.131 3.444 8.577 1.00 0.00 O ATOM 750 CB LEU A 54 -6.778 0.292 9.370 1.00 0.00 C ATOM 751 CG LEU A 54 -7.703 -0.899 9.111 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.760 -1.824 10.328 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.095 -0.428 8.683 1.00 0.00 C ATOM 0 H LEU A 54 -5.194 -0.581 7.652 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.283 1.415 7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.879 -0.073 9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.275 0.968 10.066 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.291 -1.479 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.424 -2.662 10.117 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.760 -2.199 10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.136 -1.271 11.188 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.733 -1.294 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.529 0.187 9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.015 0.158 7.768 1.00 0.00 H new ATOM 765 N SER A 55 -4.257 2.177 8.621 1.00 0.00 N ATOM 766 CA SER A 55 -3.379 3.290 8.938 1.00 0.00 C ATOM 767 C SER A 55 -2.059 3.148 8.178 1.00 0.00 C ATOM 768 O SER A 55 -1.800 2.114 7.564 1.00 0.00 O ATOM 769 CB SER A 55 -3.118 3.374 10.443 1.00 0.00 C ATOM 770 OG SER A 55 -2.808 2.101 11.004 1.00 0.00 O ATOM 0 H SER A 55 -3.788 1.276 8.530 1.00 0.00 H new ATOM 0 HA SER A 55 -3.871 4.212 8.630 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.294 4.063 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.996 3.785 10.941 1.00 0.00 H new ATOM 0 HG SER A 55 -2.321 1.563 10.345 1.00 0.00 H new ATOM 776 N ILE A 56 -1.258 4.201 8.244 1.00 0.00 N ATOM 777 CA ILE A 56 0.029 4.207 7.570 1.00 0.00 C ATOM 778 C ILE A 56 1.042 4.978 8.419 1.00 0.00 C ATOM 779 O ILE A 56 1.136 6.200 8.321 1.00 0.00 O ATOM 780 CB ILE A 56 -0.115 4.745 6.145 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.900 3.768 5.267 1.00 0.00 C ATOM 782 CG2 ILE A 56 1.252 5.083 5.545 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.312 4.426 3.948 1.00 0.00 C ATOM 0 H ILE A 56 -1.476 5.057 8.754 1.00 0.00 H new ATOM 0 HA ILE A 56 0.409 3.191 7.466 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.687 5.672 6.186 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.292 2.887 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.787 3.427 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.121 5.463 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.740 5.841 6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.870 4.185 5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.868 3.710 3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.940 5.293 4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.421 4.744 3.406 1.00 0.00 H new ATOM 795 N ASP A 57 1.774 4.231 9.233 1.00 0.00 N ATOM 796 CA ASP A 57 2.776 4.829 10.098 1.00 0.00 C ATOM 797 C ASP A 57 2.081 5.524 11.271 1.00 0.00 C ATOM 798 O ASP A 57 2.465 6.626 11.660 1.00 0.00 O ATOM 799 CB ASP A 57 3.597 5.879 9.347 1.00 0.00 C ATOM 800 CG ASP A 57 5.055 6.001 9.794 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.876 5.213 9.276 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.316 6.879 10.645 1.00 0.00 O ATOM 0 H ASP A 57 1.693 3.217 9.311 1.00 0.00 H new ATOM 0 HA ASP A 57 3.437 4.036 10.446 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.578 5.641 8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.114 6.849 9.466 1.00 0.00 H new ATOM 807 N GLY A 58 1.072 4.850 11.803 1.00 0.00 N ATOM 808 CA GLY A 58 0.320 5.389 12.924 1.00 0.00 C ATOM 809 C GLY A 58 -0.583 6.540 12.476 1.00 0.00 C ATOM 810 O GLY A 58 -1.168 7.234 13.306 1.00 0.00 O ATOM 0 H GLY A 58 0.757 3.935 11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.285 4.601 13.373 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.008 5.740 13.693 1.00 0.00 H new ATOM 814 N ILE A 59 -0.669 6.707 11.164 1.00 0.00 N ATOM 815 CA ILE A 59 -1.491 7.761 10.596 1.00 0.00 C ATOM 816 C ILE A 59 -2.800 7.160 10.081 1.00 0.00 C ATOM 817 O ILE A 59 -2.807 6.062 9.526 1.00 0.00 O ATOM 818 CB ILE A 59 -0.709 8.535 9.532 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.434 9.333 10.163 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.641 9.425 8.706 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.038 10.724 10.589 1.00 0.00 C ATOM 0 H ILE A 59 -0.182 6.129 10.478 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.755 8.492 11.360 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.260 7.815 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.823 8.796 11.028 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.254 9.426 9.451 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.060 9.964 7.957 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.389 8.807 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.138 10.139 9.362 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.794 11.270 11.034 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.403 11.267 9.717 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.841 10.628 11.319 1.00 0.00 H new ATOM 833 N SER A 60 -3.876 7.906 10.283 1.00 0.00 N ATOM 834 CA SER A 60 -5.188 7.460 9.846 1.00 0.00 C ATOM 835 C SER A 60 -5.269 7.488 8.318 1.00 0.00 C ATOM 836 O SER A 60 -5.116 8.543 7.705 1.00 0.00 O ATOM 837 CB SER A 60 -6.294 8.327 10.452 1.00 0.00 C ATOM 838 OG SER A 60 -7.123 7.587 11.345 1.00 0.00 O ATOM 0 H SER A 60 -3.866 8.816 10.743 1.00 0.00 H new ATOM 0 HA SER A 60 -5.334 6.437 10.192 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.846 9.166 10.984 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.905 8.746 9.653 1.00 0.00 H new ATOM 0 HG SER A 60 -7.815 8.175 11.712 1.00 0.00 H new ATOM 844 N ALA A 61 -5.508 6.316 7.748 1.00 0.00 N ATOM 845 CA ALA A 61 -5.611 6.194 6.304 1.00 0.00 C ATOM 846 C ALA A 61 -7.080 6.303 5.891 1.00 0.00 C ATOM 847 O ALA A 61 -7.472 5.797 4.840 1.00 0.00 O ATOM 848 CB ALA A 61 -4.976 4.875 5.858 1.00 0.00 C ATOM 0 H ALA A 61 -5.633 5.443 8.260 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.069 7.001 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.053 4.782 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.926 4.860 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.496 4.042 6.331 1.00 0.00 H new ATOM 854 N GLN A 62 -7.852 6.967 6.738 1.00 0.00 N ATOM 855 CA GLN A 62 -9.269 7.150 6.473 1.00 0.00 C ATOM 856 C GLN A 62 -9.502 8.450 5.701 1.00 0.00 C ATOM 857 O GLN A 62 -9.832 9.476 6.292 1.00 0.00 O ATOM 858 CB GLN A 62 -10.076 7.132 7.773 1.00 0.00 C ATOM 859 CG GLN A 62 -10.340 5.698 8.235 1.00 0.00 C ATOM 860 CD GLN A 62 -11.447 5.657 9.291 1.00 0.00 C ATOM 861 OE1 GLN A 62 -11.591 6.549 10.111 1.00 0.00 O ATOM 862 NE2 GLN A 62 -12.217 4.574 9.226 1.00 0.00 N ATOM 0 H GLN A 62 -7.523 7.385 7.608 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.614 6.319 5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.535 7.674 8.549 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.023 7.650 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.624 5.084 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.425 5.270 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.041 3.865 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.983 4.453 9.888 1.00 0.00 H new ATOM 871 N GLY A 63 -9.321 8.363 4.391 1.00 0.00 N ATOM 872 CA GLY A 63 -9.507 9.520 3.532 1.00 0.00 C ATOM 873 C GLY A 63 -8.319 9.696 2.584 1.00 0.00 C ATOM 874 O GLY A 63 -8.501 9.917 1.388 1.00 0.00 O ATOM 0 H GLY A 63 -9.048 7.509 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.424 9.405 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.625 10.415 4.142 1.00 0.00 H new ATOM 878 N MET A 64 -7.127 9.591 3.155 1.00 0.00 N ATOM 879 CA MET A 64 -5.909 9.736 2.376 1.00 0.00 C ATOM 880 C MET A 64 -5.980 8.911 1.089 1.00 0.00 C ATOM 881 O MET A 64 -6.188 7.699 1.136 1.00 0.00 O ATOM 882 CB MET A 64 -4.712 9.279 3.211 1.00 0.00 C ATOM 883 CG MET A 64 -4.425 10.267 4.344 1.00 0.00 C ATOM 884 SD MET A 64 -2.714 10.149 4.838 1.00 0.00 S ATOM 885 CE MET A 64 -2.658 8.443 5.359 1.00 0.00 C ATOM 0 H MET A 64 -6.979 9.407 4.147 1.00 0.00 H new ATOM 0 HA MET A 64 -5.795 10.786 2.106 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.910 8.291 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.833 9.186 2.573 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.649 11.283 4.017 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.073 10.056 5.195 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.667 8.215 5.751 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.403 8.275 6.137 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.870 7.796 4.508 1.00 0.00 H new ATOM 895 N THR A 65 -5.802 9.600 -0.028 1.00 0.00 N ATOM 896 CA THR A 65 -5.843 8.945 -1.325 1.00 0.00 C ATOM 897 C THR A 65 -4.546 8.172 -1.573 1.00 0.00 C ATOM 898 O THR A 65 -3.591 8.293 -0.807 1.00 0.00 O ATOM 899 CB THR A 65 -6.126 10.012 -2.384 1.00 0.00 C ATOM 900 OG1 THR A 65 -4.888 10.705 -2.519 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.100 11.084 -1.890 1.00 0.00 C ATOM 0 H THR A 65 -5.629 10.605 -0.062 1.00 0.00 H new ATOM 0 HA THR A 65 -6.640 8.203 -1.369 1.00 0.00 H new ATOM 0 HB THR A 65 -6.531 9.537 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.982 11.414 -3.189 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.266 11.816 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.048 10.618 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.680 11.582 -1.016 1.00 0.00 H new ATOM 909 N HIS A 66 -4.554 7.395 -2.646 1.00 0.00 N ATOM 910 CA HIS A 66 -3.390 6.603 -3.005 1.00 0.00 C ATOM 911 C HIS A 66 -2.119 7.419 -2.763 1.00 0.00 C ATOM 912 O HIS A 66 -1.256 7.014 -1.985 1.00 0.00 O ATOM 913 CB HIS A 66 -3.502 6.092 -4.443 1.00 0.00 C ATOM 914 CG HIS A 66 -2.763 4.800 -4.696 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.190 4.491 -5.917 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.508 3.743 -3.872 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.620 3.299 -5.822 1.00 0.00 C ATOM 918 NE2 HIS A 66 -1.818 2.837 -4.554 1.00 0.00 N ATOM 0 H HIS A 66 -5.348 7.297 -3.279 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.338 5.718 -2.370 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.555 5.950 -4.686 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.119 6.856 -5.120 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.204 5.081 -6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.815 3.658 -2.840 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.091 2.784 -6.610 1.00 0.00 H new ATOM 926 N LEU A 67 -2.044 8.553 -3.444 1.00 0.00 N ATOM 927 CA LEU A 67 -0.892 9.429 -3.313 1.00 0.00 C ATOM 928 C LEU A 67 -0.590 9.649 -1.829 1.00 0.00 C ATOM 929 O LEU A 67 0.487 9.294 -1.352 1.00 0.00 O ATOM 930 CB LEU A 67 -1.114 10.726 -4.093 1.00 0.00 C ATOM 931 CG LEU A 67 -0.471 11.983 -3.503 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.371 12.610 -2.437 1.00 0.00 C ATOM 933 CD2 LEU A 67 0.930 11.681 -2.967 1.00 0.00 C ATOM 0 H LEU A 67 -2.762 8.885 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.009 8.966 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.733 10.588 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.187 10.897 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.359 12.717 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.891 13.502 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.327 12.883 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.537 11.893 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.365 12.591 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.865 10.922 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.559 11.315 -3.778 1.00 0.00 H new ATOM 945 N GLU A 68 -1.560 10.232 -1.140 1.00 0.00 N ATOM 946 CA GLU A 68 -1.412 10.503 0.280 1.00 0.00 C ATOM 947 C GLU A 68 -0.759 9.311 0.982 1.00 0.00 C ATOM 948 O GLU A 68 0.246 9.467 1.674 1.00 0.00 O ATOM 949 CB GLU A 68 -2.760 10.843 0.917 1.00 0.00 C ATOM 950 CG GLU A 68 -3.227 12.240 0.500 1.00 0.00 C ATOM 951 CD GLU A 68 -3.503 13.114 1.725 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.778 12.932 2.727 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.433 13.944 1.632 1.00 0.00 O ATOM 0 H GLU A 68 -2.452 10.524 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.763 11.370 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.504 10.103 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.676 10.793 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.467 12.711 -0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.130 12.160 -0.105 1.00 0.00 H new ATOM 960 N ALA A 69 -1.356 8.146 0.780 1.00 0.00 N ATOM 961 CA ALA A 69 -0.845 6.928 1.385 1.00 0.00 C ATOM 962 C ALA A 69 0.594 6.697 0.920 1.00 0.00 C ATOM 963 O ALA A 69 1.474 6.414 1.731 1.00 0.00 O ATOM 964 CB ALA A 69 -1.766 5.757 1.034 1.00 0.00 C ATOM 0 H ALA A 69 -2.189 8.020 0.206 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.830 7.017 2.471 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.382 4.843 1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.769 5.957 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.804 5.636 -0.049 1.00 0.00 H new ATOM 970 N GLN A 70 0.788 6.827 -0.384 1.00 0.00 N ATOM 971 CA GLN A 70 2.106 6.636 -0.967 1.00 0.00 C ATOM 972 C GLN A 70 3.105 7.618 -0.352 1.00 0.00 C ATOM 973 O GLN A 70 4.229 7.241 -0.024 1.00 0.00 O ATOM 974 CB GLN A 70 2.058 6.782 -2.489 1.00 0.00 C ATOM 975 CG GLN A 70 1.237 5.658 -3.123 1.00 0.00 C ATOM 976 CD GLN A 70 2.123 4.456 -3.461 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.980 4.049 -2.695 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.868 3.914 -4.649 1.00 0.00 N ATOM 0 H GLN A 70 0.055 7.062 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 70 2.439 5.622 -0.743 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.624 7.747 -2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.071 6.768 -2.891 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.446 5.350 -2.439 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.752 6.023 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.135 4.305 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.405 3.107 -4.967 1.00 0.00 H new ATOM 987 N ASN A 71 2.659 8.858 -0.215 1.00 0.00 N ATOM 988 CA ASN A 71 3.501 9.897 0.355 1.00 0.00 C ATOM 989 C ASN A 71 3.959 9.468 1.750 1.00 0.00 C ATOM 990 O ASN A 71 5.138 9.578 2.081 1.00 0.00 O ATOM 991 CB ASN A 71 2.734 11.213 0.493 1.00 0.00 C ATOM 992 CG ASN A 71 3.281 12.270 -0.469 1.00 0.00 C ATOM 993 OD1 ASN A 71 2.353 13.089 -0.957 1.00 0.00 O flip ATOM 994 ND2 ASN A 71 4.466 12.338 -0.749 1.00 0.00 N flip ATOM 0 H ASN A 71 1.726 9.167 -0.489 1.00 0.00 H new ATOM 0 HA ASN A 71 4.352 10.044 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.676 11.045 0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.809 11.576 1.518 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.126 11.677 -0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.797 13.056 -1.394 1.00 0.00 H new ATOM 1001 N LYS A 72 3.002 8.989 2.531 1.00 0.00 N ATOM 1002 CA LYS A 72 3.292 8.543 3.883 1.00 0.00 C ATOM 1003 C LYS A 72 4.426 7.516 3.845 1.00 0.00 C ATOM 1004 O LYS A 72 5.453 7.696 4.497 1.00 0.00 O ATOM 1005 CB LYS A 72 2.021 8.030 4.563 1.00 0.00 C ATOM 1006 CG LYS A 72 1.227 9.183 5.182 1.00 0.00 C ATOM 1007 CD LYS A 72 2.034 9.876 6.282 1.00 0.00 C ATOM 1008 CE LYS A 72 2.754 8.851 7.161 1.00 0.00 C ATOM 1009 NZ LYS A 72 3.390 9.518 8.319 1.00 0.00 N ATOM 0 H LYS A 72 2.025 8.900 2.253 1.00 0.00 H new ATOM 0 HA LYS A 72 3.637 9.378 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.401 7.506 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.284 7.308 5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.965 9.905 4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.292 8.805 5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.762 10.551 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.371 10.485 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.045 8.101 7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.509 8.327 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.269 8.930 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.404 9.649 8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.944 10.445 8.474 1.00 0.00 H new ATOM 1023 N ILE A 73 4.201 6.462 3.074 1.00 0.00 N ATOM 1024 CA ILE A 73 5.191 5.407 2.942 1.00 0.00 C ATOM 1025 C ILE A 73 6.569 6.031 2.713 1.00 0.00 C ATOM 1026 O ILE A 73 7.519 5.729 3.434 1.00 0.00 O ATOM 1027 CB ILE A 73 4.776 4.416 1.852 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.615 3.538 2.322 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.971 3.584 1.384 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.554 3.399 1.228 1.00 0.00 C ATOM 0 H ILE A 73 3.348 6.316 2.535 1.00 0.00 H new ATOM 0 HA ILE A 73 5.253 4.826 3.862 1.00 0.00 H new ATOM 0 HB ILE A 73 4.422 4.984 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.989 2.552 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.166 3.971 3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.649 2.888 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.739 4.245 0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.378 3.026 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.740 2.770 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.165 4.384 0.971 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.000 2.944 0.344 1.00 0.00 H new ATOM 1042 N LYS A 74 6.634 6.891 1.707 1.00 0.00 N ATOM 1043 CA LYS A 74 7.880 7.561 1.374 1.00 0.00 C ATOM 1044 C LYS A 74 8.475 8.179 2.641 1.00 0.00 C ATOM 1045 O LYS A 74 9.695 8.260 2.782 1.00 0.00 O ATOM 1046 CB LYS A 74 7.661 8.567 0.242 1.00 0.00 C ATOM 1047 CG LYS A 74 8.302 8.077 -1.058 1.00 0.00 C ATOM 1048 CD LYS A 74 7.262 7.417 -1.966 1.00 0.00 C ATOM 1049 CE LYS A 74 7.818 7.212 -3.377 1.00 0.00 C ATOM 1050 NZ LYS A 74 7.038 7.998 -4.359 1.00 0.00 N ATOM 0 H LYS A 74 5.844 7.139 1.112 1.00 0.00 H new ATOM 0 HA LYS A 74 8.609 6.845 0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.593 8.721 0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.086 9.531 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.765 8.916 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.096 7.365 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.964 6.457 -1.546 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.367 8.037 -2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.865 7.514 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.783 6.154 -3.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.428 7.848 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.045 7.691 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.093 9.008 -4.117 1.00 0.00 H new ATOM 1064 N ALA A 75 7.587 8.600 3.529 1.00 0.00 N ATOM 1065 CA ALA A 75 8.010 9.208 4.779 1.00 0.00 C ATOM 1066 C ALA A 75 8.898 8.225 5.545 1.00 0.00 C ATOM 1067 O ALA A 75 9.684 8.630 6.400 1.00 0.00 O ATOM 1068 CB ALA A 75 6.779 9.631 5.584 1.00 0.00 C ATOM 0 H ALA A 75 6.576 8.532 3.408 1.00 0.00 H new ATOM 0 HA ALA A 75 8.599 10.105 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.097 10.087 6.522 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.198 10.352 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.165 8.756 5.796 1.00 0.00 H new ATOM 1074 N CYS A 76 8.742 6.953 5.212 1.00 0.00 N ATOM 1075 CA CYS A 76 9.520 5.909 5.858 1.00 0.00 C ATOM 1076 C CYS A 76 10.959 6.406 6.008 1.00 0.00 C ATOM 1077 O CYS A 76 11.510 7.010 5.089 1.00 0.00 O ATOM 1078 CB CYS A 76 9.449 4.590 5.085 1.00 0.00 C ATOM 1079 SG CYS A 76 10.425 4.715 3.542 1.00 0.00 S ATOM 0 H CYS A 76 8.088 6.621 4.503 1.00 0.00 H new ATOM 0 HA CYS A 76 9.104 5.699 6.844 1.00 0.00 H new ATOM 0 HB2 CYS A 76 9.831 3.777 5.702 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.412 4.352 4.850 1.00 0.00 H new ATOM 0 HG CYS A 76 11.177 5.774 3.589 1.00 0.00 H new ATOM 1085 N THR A 77 11.527 6.133 7.173 1.00 0.00 N ATOM 1086 CA THR A 77 12.892 6.545 7.455 1.00 0.00 C ATOM 1087 C THR A 77 13.684 5.385 8.063 1.00 0.00 C ATOM 1088 O THR A 77 14.672 5.602 8.762 1.00 0.00 O ATOM 1089 CB THR A 77 12.836 7.780 8.356 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.168 8.286 8.333 1.00 0.00 O ATOM 1091 CG2 THR A 77 12.598 7.424 9.825 1.00 0.00 C ATOM 0 H THR A 77 11.067 5.632 7.933 1.00 0.00 H new ATOM 0 HA THR A 77 13.421 6.815 6.541 1.00 0.00 H new ATOM 0 HB THR A 77 12.044 8.445 8.011 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.801 7.548 8.456 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.567 8.337 10.420 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.650 6.895 9.922 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.407 6.786 10.181 1.00 0.00 H new ATOM 1099 N GLY A 78 13.220 4.178 7.774 1.00 0.00 N ATOM 1100 CA GLY A 78 13.873 2.984 8.283 1.00 0.00 C ATOM 1101 C GLY A 78 12.958 1.764 8.159 1.00 0.00 C ATOM 1102 O GLY A 78 13.349 0.744 7.593 1.00 0.00 O ATOM 0 H GLY A 78 12.400 4.001 7.194 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.797 2.808 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 78 14.148 3.132 9.327 1.00 0.00 H new ATOM 1106 N SER A 79 11.756 1.908 8.698 1.00 0.00 N ATOM 1107 CA SER A 79 10.782 0.831 8.655 1.00 0.00 C ATOM 1108 C SER A 79 9.381 1.400 8.420 1.00 0.00 C ATOM 1109 O SER A 79 9.161 2.600 8.579 1.00 0.00 O ATOM 1110 CB SER A 79 10.812 0.010 9.945 1.00 0.00 C ATOM 1111 OG SER A 79 11.063 0.822 11.089 1.00 0.00 O ATOM 0 H SER A 79 11.435 2.755 9.167 1.00 0.00 H new ATOM 0 HA SER A 79 11.041 0.169 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.860 -0.506 10.069 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.583 -0.757 9.869 1.00 0.00 H new ATOM 0 HG SER A 79 11.073 0.261 11.893 1.00 0.00 H new ATOM 1117 N LEU A 80 8.472 0.513 8.045 1.00 0.00 N ATOM 1118 CA LEU A 80 7.099 0.912 7.787 1.00 0.00 C ATOM 1119 C LEU A 80 6.171 0.203 8.776 1.00 0.00 C ATOM 1120 O LEU A 80 6.226 -1.018 8.917 1.00 0.00 O ATOM 1121 CB LEU A 80 6.736 0.669 6.321 1.00 0.00 C ATOM 1122 CG LEU A 80 5.557 1.478 5.778 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.875 2.974 5.772 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.138 0.976 4.395 1.00 0.00 C ATOM 0 H LEU A 80 8.659 -0.481 7.914 1.00 0.00 H new ATOM 0 HA LEU A 80 6.978 1.983 7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.612 0.886 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.513 -0.390 6.193 1.00 0.00 H new ATOM 0 HG LEU A 80 4.707 1.332 6.445 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.020 3.526 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.087 3.305 6.789 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.745 3.159 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.298 1.568 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.975 1.072 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.842 -0.071 4.462 1.00 0.00 H new ATOM 1136 N ASN A 81 5.341 0.998 9.435 1.00 0.00 N ATOM 1137 CA ASN A 81 4.404 0.462 10.406 1.00 0.00 C ATOM 1138 C ASN A 81 2.979 0.845 9.999 1.00 0.00 C ATOM 1139 O ASN A 81 2.573 1.995 10.159 1.00 0.00 O ATOM 1140 CB ASN A 81 4.667 1.033 11.800 1.00 0.00 C ATOM 1141 CG ASN A 81 5.367 0.005 12.691 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.779 -0.585 13.582 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.653 -0.175 12.402 1.00 0.00 N ATOM 0 H ASN A 81 5.298 2.010 9.315 1.00 0.00 H new ATOM 0 HA ASN A 81 4.528 -0.621 10.431 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.283 1.929 11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.724 1.334 12.257 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.208 -0.840 12.940 1.00 0.00 H new ATOM 0 HD22 ASN A 81 7.084 0.352 11.642 1.00 0.00 H new ATOM 1150 N MET A 82 2.260 -0.140 9.481 1.00 0.00 N ATOM 1151 CA MET A 82 0.890 0.080 9.051 1.00 0.00 C ATOM 1152 C MET A 82 -0.052 -0.954 9.670 1.00 0.00 C ATOM 1153 O MET A 82 0.397 -1.967 10.203 1.00 0.00 O ATOM 1154 CB MET A 82 0.814 -0.009 7.525 1.00 0.00 C ATOM 1155 CG MET A 82 1.991 0.721 6.874 1.00 0.00 C ATOM 1156 SD MET A 82 2.890 -0.396 5.812 1.00 0.00 S ATOM 1157 CE MET A 82 1.582 -0.888 4.701 1.00 0.00 C ATOM 0 H MET A 82 2.601 -1.092 9.349 1.00 0.00 H new ATOM 0 HA MET A 82 0.579 1.071 9.383 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.815 -1.055 7.218 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.124 0.424 7.178 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.628 1.571 6.297 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.654 1.117 7.643 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.000 -1.477 3.885 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.851 -1.487 5.243 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.095 -0.001 4.296 1.00 0.00 H new ATOM 1167 N THR A 83 -1.341 -0.662 9.579 1.00 0.00 N ATOM 1168 CA THR A 83 -2.351 -1.554 10.124 1.00 0.00 C ATOM 1169 C THR A 83 -3.209 -2.138 9.000 1.00 0.00 C ATOM 1170 O THR A 83 -3.453 -1.476 7.992 1.00 0.00 O ATOM 1171 CB THR A 83 -3.159 -0.774 11.163 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.177 -0.034 11.883 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.787 -1.685 12.220 1.00 0.00 C ATOM 0 H THR A 83 -1.710 0.180 9.136 1.00 0.00 H new ATOM 0 HA THR A 83 -1.896 -2.411 10.621 1.00 0.00 H new ATOM 0 HB THR A 83 -3.942 -0.205 10.661 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.450 0.906 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.349 -1.082 12.933 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.458 -2.395 11.736 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.001 -2.229 12.745 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.644 -3.371 9.211 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.470 -4.052 8.228 1.00 0.00 C ATOM 1183 C LEU A 84 -5.847 -4.333 8.833 1.00 0.00 C ATOM 1184 O LEU A 84 -6.019 -4.274 10.049 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.761 -5.303 7.707 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.319 -5.108 7.233 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.742 -6.414 6.682 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.225 -3.967 6.218 1.00 0.00 C ATOM 0 H LEU A 84 -3.440 -3.917 10.048 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.627 -3.417 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.764 -6.054 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.343 -5.708 6.879 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.712 -4.825 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.716 -6.248 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.753 -7.175 7.463 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.345 -6.751 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.190 -3.850 5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.849 -4.196 5.354 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.569 -3.041 6.679 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.794 -4.632 7.955 1.00 0.00 N ATOM 1201 CA GLN A 85 -8.150 -4.922 8.387 1.00 0.00 C ATOM 1202 C GLN A 85 -8.473 -6.401 8.166 1.00 0.00 C ATOM 1203 O GLN A 85 -8.363 -6.904 7.048 1.00 0.00 O ATOM 1204 CB GLN A 85 -9.159 -4.027 7.665 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.578 -4.581 7.798 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.577 -3.726 7.016 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.528 -3.623 5.801 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.484 -3.121 7.777 1.00 0.00 N ATOM 0 H GLN A 85 -6.648 -4.679 6.947 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.223 -4.710 9.454 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.118 -3.020 8.079 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.893 -3.950 6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.607 -5.607 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.864 -4.610 8.849 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.469 -3.250 8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.195 -2.528 7.349 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.865 -7.057 9.248 1.00 0.00 N ATOM 1218 CA ARG A 86 -9.205 -8.468 9.186 1.00 0.00 C ATOM 1219 C ARG A 86 -10.612 -8.651 8.615 1.00 0.00 C ATOM 1220 O ARG A 86 -11.585 -8.157 9.182 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.137 -9.112 10.572 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.703 -9.517 10.920 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.768 -8.306 10.883 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.413 -8.699 11.331 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.480 -9.227 10.527 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.749 -9.428 9.229 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.278 -9.554 11.019 1.00 0.00 N ATOM 0 H ARG A 86 -8.955 -6.637 10.173 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.479 -8.955 8.535 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.513 -8.414 11.320 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.783 -9.989 10.601 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.679 -9.969 11.911 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.354 -10.273 10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.723 -7.902 9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.157 -7.516 11.525 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.175 -8.559 12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.664 -9.179 8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.039 -9.830 8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.072 -9.401 12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.568 -9.956 10.406 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.675 -9.363 7.499 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.947 -9.617 6.844 1.00 0.00 C ATOM 1243 C ALA A 87 -12.011 -11.084 6.416 1.00 0.00 C ATOM 1244 O ALA A 87 -11.807 -11.403 5.245 1.00 0.00 O ATOM 1245 CB ALA A 87 -12.115 -8.657 5.664 1.00 0.00 C ATOM 0 H ALA A 87 -9.866 -9.772 7.032 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.775 -9.437 7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.069 -8.848 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.092 -7.629 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.304 -8.810 4.952 1.00 0.00 H new ATOM 1251 N SER A 88 -12.295 -11.939 7.387 1.00 0.00 N ATOM 1252 CA SER A 88 -12.389 -13.365 7.126 1.00 0.00 C ATOM 1253 C SER A 88 -13.416 -14.003 8.063 1.00 0.00 C ATOM 1254 O SER A 88 -13.898 -13.358 8.993 1.00 0.00 O ATOM 1255 CB SER A 88 -11.028 -14.045 7.288 1.00 0.00 C ATOM 1256 OG SER A 88 -10.458 -14.405 6.032 1.00 0.00 O ATOM 0 H SER A 88 -12.463 -11.671 8.357 1.00 0.00 H new ATOM 0 HA SER A 88 -12.714 -13.503 6.095 1.00 0.00 H new ATOM 0 HB2 SER A 88 -10.349 -13.376 7.816 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.139 -14.937 7.905 1.00 0.00 H new ATOM 0 HG SER A 88 -9.589 -14.835 6.178 1.00 0.00 H new ATOM 1262 N ALA A 89 -13.720 -15.263 7.786 1.00 0.00 N ATOM 1263 CA ALA A 89 -14.681 -15.995 8.593 1.00 0.00 C ATOM 1264 C ALA A 89 -16.054 -15.330 8.472 1.00 0.00 C ATOM 1265 O ALA A 89 -16.186 -14.127 8.688 1.00 0.00 O ATOM 1266 CB ALA A 89 -14.190 -16.058 10.041 1.00 0.00 C ATOM 0 H ALA A 89 -13.318 -15.795 7.014 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.778 -17.021 8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -14.911 -16.607 10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.226 -16.565 10.076 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.083 -15.047 10.433 1.00 0.00 H new ATOM 1272 N ALA A 90 -17.042 -16.144 8.127 1.00 0.00 N ATOM 1273 CA ALA A 90 -18.399 -15.650 7.975 1.00 0.00 C ATOM 1274 C ALA A 90 -19.360 -16.568 8.733 1.00 0.00 C ATOM 1275 O ALA A 90 -18.990 -17.676 9.119 1.00 0.00 O ATOM 1276 CB ALA A 90 -18.742 -15.549 6.487 1.00 0.00 C ATOM 0 H ALA A 90 -16.929 -17.142 7.949 1.00 0.00 H new ATOM 0 HA ALA A 90 -18.493 -14.651 8.400 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -19.761 -15.178 6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -18.049 -14.863 6.000 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -18.661 -16.534 6.027 1.00 0.00 H new ATOM 1282 N ALA A 91 -20.574 -16.073 8.925 1.00 0.00 N ATOM 1283 CA ALA A 91 -21.590 -16.835 9.631 1.00 0.00 C ATOM 1284 C ALA A 91 -21.047 -17.258 10.997 1.00 0.00 C ATOM 1285 O ALA A 91 -20.364 -18.275 11.109 1.00 0.00 O ATOM 1286 CB ALA A 91 -22.016 -18.031 8.777 1.00 0.00 C ATOM 0 H ALA A 91 -20.877 -15.153 8.604 1.00 0.00 H new ATOM 0 HA ALA A 91 -22.477 -16.225 9.804 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.778 -18.603 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -22.422 -17.676 7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -21.152 -18.668 8.586 1.00 0.00 H new ATOM 1292 N LYS A 92 -21.371 -16.457 12.001 1.00 0.00 N ATOM 1293 CA LYS A 92 -20.924 -16.736 13.355 1.00 0.00 C ATOM 1294 C LYS A 92 -21.197 -18.205 13.685 1.00 0.00 C ATOM 1295 O LYS A 92 -22.139 -18.798 13.162 1.00 0.00 O ATOM 1296 CB LYS A 92 -21.561 -15.755 14.342 1.00 0.00 C ATOM 1297 CG LYS A 92 -20.777 -14.442 14.394 1.00 0.00 C ATOM 1298 CD LYS A 92 -21.235 -13.486 13.292 1.00 0.00 C ATOM 1299 CE LYS A 92 -20.944 -12.033 13.671 1.00 0.00 C ATOM 1300 NZ LYS A 92 -21.970 -11.526 14.609 1.00 0.00 N ATOM 0 H LYS A 92 -21.938 -15.615 11.904 1.00 0.00 H new ATOM 0 HA LYS A 92 -19.848 -16.585 13.440 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -22.592 -15.556 14.048 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -21.594 -16.203 15.335 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -20.913 -13.972 15.368 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -19.712 -14.646 14.284 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.727 -13.731 12.359 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -22.303 -13.613 13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -19.957 -11.961 14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.925 -11.414 12.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -21.796 -10.519 14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -22.913 -11.639 14.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.923 -12.063 15.498 1.00 0.00 H new ATOM 1314 N SER A 93 -20.355 -18.749 14.551 1.00 0.00 N ATOM 1315 CA SER A 93 -20.493 -20.138 14.957 1.00 0.00 C ATOM 1316 C SER A 93 -20.915 -20.214 16.426 1.00 0.00 C ATOM 1317 O SER A 93 -20.122 -19.917 17.319 1.00 0.00 O ATOM 1318 CB SER A 93 -19.190 -20.908 14.738 1.00 0.00 C ATOM 1319 OG SER A 93 -19.392 -22.318 14.767 1.00 0.00 O ATOM 0 H SER A 93 -19.575 -18.254 14.983 1.00 0.00 H new ATOM 0 HA SER A 93 -21.264 -20.600 14.340 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.758 -20.623 13.779 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.470 -20.629 15.508 1.00 0.00 H new ATOM 0 HG SER A 93 -18.537 -22.774 14.622 1.00 0.00 H new ATOM 1325 N GLU A 94 -22.161 -20.614 16.631 1.00 0.00 N ATOM 1326 CA GLU A 94 -22.697 -20.732 17.977 1.00 0.00 C ATOM 1327 C GLU A 94 -22.670 -22.193 18.431 1.00 0.00 C ATOM 1328 O GLU A 94 -22.754 -23.104 17.610 1.00 0.00 O ATOM 1329 CB GLU A 94 -24.113 -20.159 18.056 1.00 0.00 C ATOM 1330 CG GLU A 94 -25.083 -20.976 17.199 1.00 0.00 C ATOM 1331 CD GLU A 94 -25.443 -20.227 15.914 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -25.723 -19.014 16.023 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -25.430 -20.886 14.851 1.00 0.00 O ATOM 0 H GLU A 94 -22.815 -20.861 15.888 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.068 -20.150 18.651 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -24.451 -20.156 19.092 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -24.109 -19.122 17.719 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.633 -21.937 16.950 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -25.989 -21.186 17.768 1.00 0.00 H new ATOM 1340 N PRO A 95 -22.551 -22.375 19.774 1.00 0.00 N ATOM 1341 CA PRO A 95 -22.512 -23.710 20.348 1.00 0.00 C ATOM 1342 C PRO A 95 -23.904 -24.346 20.351 1.00 0.00 C ATOM 1343 O PRO A 95 -24.906 -23.653 20.517 1.00 0.00 O ATOM 1344 CB PRO A 95 -21.942 -23.521 21.744 1.00 0.00 C ATOM 1345 CG PRO A 95 -22.117 -22.047 22.070 1.00 0.00 C ATOM 1346 CD PRO A 95 -22.449 -21.320 20.777 1.00 0.00 C ATOM 0 HA PRO A 95 -21.895 -24.399 19.771 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -22.466 -24.146 22.467 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -20.891 -23.806 21.778 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -22.914 -21.910 22.801 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -21.206 -21.643 22.512 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -23.383 -20.765 20.864 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -21.673 -20.600 20.517 1.00 0.00 H new ATOM 1354 N VAL A 96 -23.920 -25.657 20.165 1.00 0.00 N ATOM 1355 CA VAL A 96 -25.172 -26.394 20.144 1.00 0.00 C ATOM 1356 C VAL A 96 -25.583 -26.734 21.578 1.00 0.00 C ATOM 1357 O VAL A 96 -24.729 -26.950 22.437 1.00 0.00 O ATOM 1358 CB VAL A 96 -25.037 -27.630 19.252 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -24.055 -28.636 19.854 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -26.401 -28.277 19.002 1.00 0.00 C ATOM 0 H VAL A 96 -23.086 -26.228 20.027 1.00 0.00 H new ATOM 0 HA VAL A 96 -25.967 -25.784 19.714 1.00 0.00 H new ATOM 0 HB VAL A 96 -24.638 -27.307 18.290 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.978 -29.505 19.200 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -23.075 -28.171 19.957 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -24.412 -28.951 20.835 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -26.277 -29.153 18.365 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -26.840 -28.579 19.953 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -27.059 -27.561 18.509 1.00 0.00 H new ATOM 1370 N SER A 97 -26.890 -26.772 21.792 1.00 0.00 N ATOM 1371 CA SER A 97 -27.424 -27.082 23.108 1.00 0.00 C ATOM 1372 C SER A 97 -27.958 -28.515 23.131 1.00 0.00 C ATOM 1373 O SER A 97 -28.760 -28.896 22.279 1.00 0.00 O ATOM 1374 CB SER A 97 -28.527 -26.098 23.500 1.00 0.00 C ATOM 1375 OG SER A 97 -28.031 -25.036 24.312 1.00 0.00 O ATOM 0 H SER A 97 -27.595 -26.593 21.077 1.00 0.00 H new ATOM 0 HA SER A 97 -26.617 -26.990 23.835 1.00 0.00 H new ATOM 0 HB2 SER A 97 -28.981 -25.684 22.599 1.00 0.00 H new ATOM 0 HB3 SER A 97 -29.312 -26.629 24.038 1.00 0.00 H new ATOM 0 HG SER A 97 -28.765 -24.428 24.540 1.00 0.00 H new ATOM 1381 N SER A 98 -27.493 -29.271 24.114 1.00 0.00 N ATOM 1382 CA SER A 98 -27.915 -30.654 24.259 1.00 0.00 C ATOM 1383 C SER A 98 -27.504 -31.185 25.634 1.00 0.00 C ATOM 1384 O SER A 98 -26.326 -31.437 25.880 1.00 0.00 O ATOM 1385 CB SER A 98 -27.321 -31.529 23.154 1.00 0.00 C ATOM 1386 OG SER A 98 -28.260 -31.784 22.113 1.00 0.00 O ATOM 0 H SER A 98 -26.828 -28.952 24.818 1.00 0.00 H new ATOM 0 HA SER A 98 -29.001 -30.691 24.171 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.441 -31.039 22.737 1.00 0.00 H new ATOM 0 HB3 SER A 98 -26.987 -32.475 23.581 1.00 0.00 H new ATOM 0 HG SER A 98 -28.699 -30.946 21.856 1.00 0.00 H new ATOM 1392 N GLY A 99 -28.500 -31.338 26.495 1.00 0.00 N ATOM 1393 CA GLY A 99 -28.257 -31.834 27.839 1.00 0.00 C ATOM 1394 C GLY A 99 -28.608 -30.776 28.886 1.00 0.00 C ATOM 1395 O GLY A 99 -29.365 -29.847 28.606 1.00 0.00 O ATOM 0 H GLY A 99 -29.476 -31.127 26.288 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -28.850 -32.732 28.012 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -27.210 -32.119 27.942 1.00 0.00 H new ATOM 1399 N PRO A 100 -28.026 -30.955 30.102 1.00 0.00 N ATOM 1400 CA PRO A 100 -28.270 -30.026 31.193 1.00 0.00 C ATOM 1401 C PRO A 100 -27.504 -28.718 30.981 1.00 0.00 C ATOM 1402 O PRO A 100 -26.489 -28.695 30.287 1.00 0.00 O ATOM 1403 CB PRO A 100 -27.839 -30.769 32.447 1.00 0.00 C ATOM 1404 CG PRO A 100 -26.943 -31.901 31.973 1.00 0.00 C ATOM 1405 CD PRO A 100 -27.124 -32.042 30.470 1.00 0.00 C ATOM 0 HA PRO A 100 -29.315 -29.726 31.263 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -27.305 -30.107 33.129 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -28.703 -31.155 32.989 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -25.901 -31.689 32.214 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -27.204 -32.831 32.478 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -26.171 -31.960 29.947 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -27.547 -33.013 30.211 1.00 0.00 H new ATOM 1413 N SER A 101 -28.021 -27.661 31.590 1.00 0.00 N ATOM 1414 CA SER A 101 -27.399 -26.353 31.477 1.00 0.00 C ATOM 1415 C SER A 101 -26.727 -25.977 32.799 1.00 0.00 C ATOM 1416 O SER A 101 -27.336 -26.087 33.862 1.00 0.00 O ATOM 1417 CB SER A 101 -28.423 -25.289 31.081 1.00 0.00 C ATOM 1418 OG SER A 101 -27.836 -24.242 30.312 1.00 0.00 O ATOM 0 H SER A 101 -28.864 -27.684 32.164 1.00 0.00 H new ATOM 0 HA SER A 101 -26.643 -26.400 30.693 1.00 0.00 H new ATOM 0 HB2 SER A 101 -29.225 -25.754 30.508 1.00 0.00 H new ATOM 0 HB3 SER A 101 -28.875 -24.869 31.979 1.00 0.00 H new ATOM 0 HG SER A 101 -28.523 -23.584 30.078 1.00 0.00 H new ATOM 1424 N SER A 102 -25.480 -25.541 32.690 1.00 0.00 N ATOM 1425 CA SER A 102 -24.719 -25.148 33.863 1.00 0.00 C ATOM 1426 C SER A 102 -24.446 -23.643 33.830 1.00 0.00 C ATOM 1427 O SER A 102 -24.097 -23.095 32.786 1.00 0.00 O ATOM 1428 CB SER A 102 -23.404 -25.924 33.952 1.00 0.00 C ATOM 1429 OG SER A 102 -23.597 -27.324 33.769 1.00 0.00 O ATOM 0 H SER A 102 -24.978 -25.451 31.807 1.00 0.00 H new ATOM 0 HA SER A 102 -25.309 -25.384 34.748 1.00 0.00 H new ATOM 0 HB2 SER A 102 -22.712 -25.552 33.197 1.00 0.00 H new ATOM 0 HB3 SER A 102 -22.943 -25.745 34.923 1.00 0.00 H new ATOM 0 HG SER A 102 -22.734 -27.784 33.831 1.00 0.00 H new ATOM 1435 N GLY A 103 -24.616 -23.017 34.985 1.00 0.00 N ATOM 1436 CA GLY A 103 -24.392 -21.586 35.101 1.00 0.00 C ATOM 1437 C GLY A 103 -23.147 -21.293 35.941 1.00 0.00 C ATOM 1438 O GLY A 103 -22.946 -21.898 36.993 1.00 0.00 O ATOM 0 H GLY A 103 -24.906 -23.475 35.849 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -24.276 -21.151 34.108 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -25.262 -21.114 35.557 1.00 0.00 H new TER 1442 GLY A 103