USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 743 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 72 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= -1.72! USER MOD Set 3.1: A 81 TYR OH : rot 30:sc= -0.136 USER MOD Set 3.2: A 87 SER OG : rot 21:sc= 0.0364 USER MOD Set 4.1: A 68 SER OG : rot 180:sc= 0.011 USER MOD Set 4.2: A 71 THR OG1 : rot 66:sc= 1.23 USER MOD Set 5.1: A 49 HIS : no HD1:sc= 0.117 K(o=0.45,f=-5.1!) USER MOD Set 5.2: A 73 TYR OH : rot -32:sc= 0.332 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -2.15 K(o=-2.1,f=-4.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.823 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.13 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.16) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -169:sc= 0 (180deg=-0.142) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -54:sc= 1.15 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00448 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -169:sc= 1.15 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 4:sc= 0.333 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0704 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.904 -29.838 9.279 1.00 0.00 N ATOM 2 CA GLY A 1 -4.736 -30.273 7.905 1.00 0.00 C ATOM 3 C GLY A 1 -5.819 -29.735 6.990 1.00 0.00 C ATOM 4 O GLY A 1 -7.007 -29.945 7.233 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.140 -30.232 9.864 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.872 -28.799 9.321 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.821 -30.171 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.762 -29.947 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.742 -31.362 7.869 1.00 0.00 H new ATOM 8 N SER A 2 -5.408 -29.037 5.937 1.00 0.00 N ATOM 9 CA SER A 2 -6.352 -28.462 4.985 1.00 0.00 C ATOM 10 C SER A 2 -6.299 -29.202 3.652 1.00 0.00 C ATOM 11 O SER A 2 -5.277 -29.788 3.296 1.00 0.00 O ATOM 12 CB SER A 2 -6.051 -26.978 4.769 1.00 0.00 C ATOM 13 OG SER A 2 -4.934 -26.803 3.915 1.00 0.00 O ATOM 0 H SER A 2 -4.428 -28.856 5.721 1.00 0.00 H new ATOM 0 HA SER A 2 -7.355 -28.566 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.923 -26.486 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.857 -26.500 5.729 1.00 0.00 H new ATOM 0 HG SER A 2 -4.763 -25.846 3.792 1.00 0.00 H new ATOM 19 N SER A 3 -7.408 -29.171 2.921 1.00 0.00 N ATOM 20 CA SER A 3 -7.490 -29.843 1.629 1.00 0.00 C ATOM 21 C SER A 3 -7.122 -28.889 0.497 1.00 0.00 C ATOM 22 O SER A 3 -7.384 -27.689 0.570 1.00 0.00 O ATOM 23 CB SER A 3 -8.900 -30.395 1.407 1.00 0.00 C ATOM 24 OG SER A 3 -8.971 -31.143 0.205 1.00 0.00 O ATOM 0 H SER A 3 -8.262 -28.688 3.201 1.00 0.00 H new ATOM 0 HA SER A 3 -6.779 -30.669 1.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.184 -31.026 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.614 -29.573 1.370 1.00 0.00 H new ATOM 0 HG SER A 3 -9.881 -31.486 0.087 1.00 0.00 H new ATOM 30 N GLY A 4 -6.511 -29.432 -0.552 1.00 0.00 N ATOM 31 CA GLY A 4 -6.115 -28.617 -1.685 1.00 0.00 C ATOM 32 C GLY A 4 -5.144 -27.519 -1.298 1.00 0.00 C ATOM 33 O GLY A 4 -5.496 -26.339 -1.305 1.00 0.00 O ATOM 0 H GLY A 4 -6.283 -30.423 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.657 -29.252 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.002 -28.171 -2.136 1.00 0.00 H new ATOM 37 N SER A 5 -3.919 -27.906 -0.959 1.00 0.00 N ATOM 38 CA SER A 5 -2.896 -26.946 -0.562 1.00 0.00 C ATOM 39 C SER A 5 -2.066 -26.508 -1.764 1.00 0.00 C ATOM 40 O SER A 5 -0.849 -26.354 -1.669 1.00 0.00 O ATOM 41 CB SER A 5 -1.985 -27.553 0.507 1.00 0.00 C ATOM 42 OG SER A 5 -2.616 -27.550 1.776 1.00 0.00 O ATOM 0 H SER A 5 -3.610 -28.878 -0.951 1.00 0.00 H new ATOM 0 HA SER A 5 -3.396 -26.070 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.724 -28.574 0.230 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.054 -26.989 0.559 1.00 0.00 H new ATOM 0 HG SER A 5 -2.014 -27.944 2.441 1.00 0.00 H new ATOM 48 N SER A 6 -2.735 -26.309 -2.896 1.00 0.00 N ATOM 49 CA SER A 6 -2.060 -25.893 -4.120 1.00 0.00 C ATOM 50 C SER A 6 -3.018 -25.143 -5.040 1.00 0.00 C ATOM 51 O SER A 6 -4.211 -25.039 -4.761 1.00 0.00 O ATOM 52 CB SER A 6 -1.482 -27.108 -4.847 1.00 0.00 C ATOM 53 OG SER A 6 -2.507 -28.008 -5.231 1.00 0.00 O ATOM 0 H SER A 6 -3.743 -26.429 -2.991 1.00 0.00 H new ATOM 0 HA SER A 6 -1.246 -25.222 -3.847 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.932 -26.780 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.770 -27.618 -4.199 1.00 0.00 H new ATOM 0 HG SER A 6 -2.112 -28.775 -5.695 1.00 0.00 H new ATOM 59 N GLY A 7 -2.484 -24.621 -6.141 1.00 0.00 N ATOM 60 CA GLY A 7 -3.304 -23.887 -7.086 1.00 0.00 C ATOM 61 C GLY A 7 -3.928 -22.649 -6.473 1.00 0.00 C ATOM 62 O GLY A 7 -4.990 -22.721 -5.853 1.00 0.00 O ATOM 0 H GLY A 7 -1.499 -24.694 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.695 -23.597 -7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.092 -24.539 -7.462 1.00 0.00 H new ATOM 66 N LEU A 8 -3.269 -21.509 -6.645 1.00 0.00 N ATOM 67 CA LEU A 8 -3.764 -20.248 -6.103 1.00 0.00 C ATOM 68 C LEU A 8 -3.774 -19.161 -7.173 1.00 0.00 C ATOM 69 O LEU A 8 -2.783 -18.957 -7.873 1.00 0.00 O ATOM 70 CB LEU A 8 -2.902 -19.806 -4.919 1.00 0.00 C ATOM 71 CG LEU A 8 -3.288 -20.383 -3.556 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.192 -20.118 -2.536 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.611 -19.797 -3.084 1.00 0.00 C ATOM 0 H LEU A 8 -2.390 -21.431 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.787 -20.405 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.867 -20.078 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.939 -18.719 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.408 -21.461 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.483 -20.535 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.265 -20.585 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.041 -19.043 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.870 -20.219 -2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.519 -18.714 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.393 -20.038 -3.804 1.00 0.00 H new ATOM 85 N ALA A 9 -4.901 -18.466 -7.292 1.00 0.00 N ATOM 86 CA ALA A 9 -5.038 -17.397 -8.274 1.00 0.00 C ATOM 87 C ALA A 9 -5.355 -16.068 -7.597 1.00 0.00 C ATOM 88 O ALA A 9 -6.073 -16.008 -6.599 1.00 0.00 O ATOM 89 CB ALA A 9 -6.119 -17.747 -9.286 1.00 0.00 C ATOM 0 H ALA A 9 -5.731 -18.624 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.087 -17.291 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.211 -16.941 -10.014 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.851 -18.670 -9.800 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.070 -17.881 -8.771 1.00 0.00 H new ATOM 95 N PRO A 10 -4.808 -14.976 -8.150 1.00 0.00 N ATOM 96 CA PRO A 10 -5.018 -13.627 -7.616 1.00 0.00 C ATOM 97 C PRO A 10 -6.447 -13.137 -7.826 1.00 0.00 C ATOM 98 O PRO A 10 -7.039 -13.314 -8.890 1.00 0.00 O ATOM 99 CB PRO A 10 -4.035 -12.770 -8.418 1.00 0.00 C ATOM 100 CG PRO A 10 -3.837 -13.515 -9.693 1.00 0.00 C ATOM 101 CD PRO A 10 -3.941 -14.973 -9.341 1.00 0.00 C ATOM 0 HA PRO A 10 -4.859 -13.586 -6.538 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.436 -11.773 -8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.094 -12.642 -7.884 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.591 -13.236 -10.429 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.865 -13.288 -10.131 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.375 -15.553 -10.155 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.964 -15.405 -9.127 1.00 0.00 H new ATOM 109 N PRO A 11 -7.015 -12.505 -6.788 1.00 0.00 N ATOM 110 CA PRO A 11 -8.381 -11.975 -6.835 1.00 0.00 C ATOM 111 C PRO A 11 -8.504 -10.771 -7.761 1.00 0.00 C ATOM 112 O PRO A 11 -9.384 -10.724 -8.621 1.00 0.00 O ATOM 113 CB PRO A 11 -8.652 -11.565 -5.385 1.00 0.00 C ATOM 114 CG PRO A 11 -7.304 -11.300 -4.808 1.00 0.00 C ATOM 115 CD PRO A 11 -6.367 -12.259 -5.488 1.00 0.00 C ATOM 0 HA PRO A 11 -9.089 -12.706 -7.225 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.285 -10.679 -5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.168 -12.356 -4.840 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.001 -10.268 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.304 -11.454 -3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.372 -11.831 -5.610 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.250 -13.180 -4.917 1.00 0.00 H new ATOM 123 N ARG A 12 -7.616 -9.798 -7.582 1.00 0.00 N ATOM 124 CA ARG A 12 -7.626 -8.593 -8.402 1.00 0.00 C ATOM 125 C ARG A 12 -6.225 -7.997 -8.509 1.00 0.00 C ATOM 126 O ARG A 12 -5.271 -8.518 -7.931 1.00 0.00 O ATOM 127 CB ARG A 12 -8.588 -7.559 -7.815 1.00 0.00 C ATOM 128 CG ARG A 12 -10.052 -7.871 -8.078 1.00 0.00 C ATOM 129 CD ARG A 12 -10.389 -7.756 -9.557 1.00 0.00 C ATOM 130 NE ARG A 12 -11.830 -7.788 -9.794 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.387 -7.530 -10.972 1.00 0.00 C ATOM 132 NH1 ARG A 12 -11.627 -7.223 -12.015 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.705 -7.579 -11.109 1.00 0.00 N ATOM 0 H ARG A 12 -6.880 -9.821 -6.876 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.963 -8.867 -9.402 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.427 -7.495 -6.739 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.354 -6.579 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.279 -8.878 -7.729 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.679 -7.187 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.977 -6.827 -9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.914 -8.572 -10.102 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.442 -8.021 -9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.613 -7.185 -11.913 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.057 -7.025 -12.919 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.292 -7.815 -10.309 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.131 -7.381 -12.014 1.00 0.00 H new ATOM 147 N HIS A 13 -6.110 -6.901 -9.253 1.00 0.00 N ATOM 148 CA HIS A 13 -4.826 -6.233 -9.436 1.00 0.00 C ATOM 149 C HIS A 13 -4.735 -4.982 -8.567 1.00 0.00 C ATOM 150 O HIS A 13 -5.720 -4.566 -7.955 1.00 0.00 O ATOM 151 CB HIS A 13 -4.625 -5.863 -10.906 1.00 0.00 C ATOM 152 CG HIS A 13 -4.164 -7.008 -11.754 1.00 0.00 C ATOM 153 ND1 HIS A 13 -5.027 -7.931 -12.305 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.921 -7.376 -12.145 1.00 0.00 C ATOM 155 CE1 HIS A 13 -4.335 -8.818 -12.998 1.00 0.00 C ATOM 156 NE2 HIS A 13 -3.055 -8.503 -12.918 1.00 0.00 N ATOM 0 H HIS A 13 -6.890 -6.457 -9.738 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.039 -6.923 -9.132 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.563 -5.479 -11.307 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.896 -5.056 -10.973 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.997 -6.876 -11.895 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.746 -9.658 -13.538 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.290 -9.014 -13.359 1.00 0.00 H new ATOM 165 N LEU A 14 -3.548 -4.388 -8.516 1.00 0.00 N ATOM 166 CA LEU A 14 -3.328 -3.184 -7.722 1.00 0.00 C ATOM 167 C LEU A 14 -3.116 -1.970 -8.620 1.00 0.00 C ATOM 168 O LEU A 14 -2.846 -2.107 -9.812 1.00 0.00 O ATOM 169 CB LEU A 14 -2.120 -3.370 -6.802 1.00 0.00 C ATOM 170 CG LEU A 14 -2.401 -4.023 -5.449 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.108 -4.225 -4.674 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.381 -3.182 -4.644 1.00 0.00 C ATOM 0 H LEU A 14 -2.723 -4.720 -9.015 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.217 -3.012 -7.115 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.378 -3.973 -7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.670 -2.393 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.851 -5.000 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.328 -4.691 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.439 -4.869 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.629 -3.260 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.569 -3.662 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.959 -2.191 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.318 -3.090 -5.193 1.00 0.00 H new ATOM 184 N GLY A 15 -3.239 -0.781 -8.038 1.00 0.00 N ATOM 185 CA GLY A 15 -3.056 0.441 -8.800 1.00 0.00 C ATOM 186 C GLY A 15 -2.375 1.530 -7.994 1.00 0.00 C ATOM 187 O GLY A 15 -2.620 1.671 -6.796 1.00 0.00 O ATOM 0 H GLY A 15 -3.462 -0.642 -7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.463 0.226 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.026 0.800 -9.144 1.00 0.00 H new ATOM 191 N PHE A 16 -1.516 2.301 -8.653 1.00 0.00 N ATOM 192 CA PHE A 16 -0.796 3.381 -7.989 1.00 0.00 C ATOM 193 C PHE A 16 -0.861 4.664 -8.813 1.00 0.00 C ATOM 194 O PHE A 16 -0.342 4.726 -9.928 1.00 0.00 O ATOM 195 CB PHE A 16 0.664 2.983 -7.759 1.00 0.00 C ATOM 196 CG PHE A 16 0.825 1.786 -6.867 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.907 1.936 -5.492 1.00 0.00 C ATOM 198 CD2 PHE A 16 0.894 0.510 -7.403 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.055 0.837 -4.667 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.041 -0.593 -6.583 1.00 0.00 C ATOM 201 CZ PHE A 16 1.123 -0.430 -5.214 1.00 0.00 C ATOM 0 H PHE A 16 -1.302 2.198 -9.645 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.272 3.564 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.131 2.775 -8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.198 3.827 -7.321 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.855 2.924 -5.059 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.832 0.376 -8.473 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.117 0.968 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.092 -1.582 -7.013 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.240 -1.291 -4.572 1.00 0.00 H new ATOM 211 N SER A 17 -1.502 5.686 -8.255 1.00 0.00 N ATOM 212 CA SER A 17 -1.639 6.967 -8.939 1.00 0.00 C ATOM 213 C SER A 17 -1.347 8.124 -7.989 1.00 0.00 C ATOM 214 O SER A 17 -1.235 7.934 -6.777 1.00 0.00 O ATOM 215 CB SER A 17 -3.048 7.112 -9.518 1.00 0.00 C ATOM 216 OG SER A 17 -3.055 7.990 -10.630 1.00 0.00 O ATOM 0 H SER A 17 -1.934 5.652 -7.332 1.00 0.00 H new ATOM 0 HA SER A 17 -0.914 6.995 -9.753 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.423 6.134 -9.821 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.723 7.488 -8.750 1.00 0.00 H new ATOM 0 HG SER A 17 -3.966 8.064 -10.983 1.00 0.00 H new ATOM 222 N ASP A 18 -1.224 9.323 -8.547 1.00 0.00 N ATOM 223 CA ASP A 18 -0.945 10.513 -7.751 1.00 0.00 C ATOM 224 C ASP A 18 0.244 10.280 -6.824 1.00 0.00 C ATOM 225 O ASP A 18 0.358 10.910 -5.773 1.00 0.00 O ATOM 226 CB ASP A 18 -2.176 10.905 -6.932 1.00 0.00 C ATOM 227 CG ASP A 18 -3.411 11.085 -7.794 1.00 0.00 C ATOM 228 OD1 ASP A 18 -3.503 12.117 -8.491 1.00 0.00 O ATOM 229 OD2 ASP A 18 -4.284 10.193 -7.772 1.00 0.00 O ATOM 0 H ASP A 18 -1.313 9.497 -9.548 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.698 11.326 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.369 10.138 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.972 11.832 -6.396 1.00 0.00 H new ATOM 234 N VAL A 19 1.128 9.370 -7.221 1.00 0.00 N ATOM 235 CA VAL A 19 2.309 9.053 -6.426 1.00 0.00 C ATOM 236 C VAL A 19 3.255 10.246 -6.349 1.00 0.00 C ATOM 237 O VAL A 19 3.433 10.975 -7.325 1.00 0.00 O ATOM 238 CB VAL A 19 3.069 7.846 -7.007 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.318 7.557 -6.188 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.164 6.624 -7.063 1.00 0.00 C ATOM 0 H VAL A 19 1.049 8.839 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 19 1.959 8.805 -5.424 1.00 0.00 H new ATOM 0 HB VAL A 19 3.378 8.088 -8.024 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.842 6.701 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.973 8.428 -6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.035 7.334 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.717 5.780 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.823 6.377 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.303 6.838 -7.696 1.00 0.00 H new ATOM 250 N SER A 20 3.861 10.439 -5.182 1.00 0.00 N ATOM 251 CA SER A 20 4.787 11.546 -4.975 1.00 0.00 C ATOM 252 C SER A 20 6.065 11.065 -4.294 1.00 0.00 C ATOM 253 O SER A 20 6.190 9.892 -3.941 1.00 0.00 O ATOM 254 CB SER A 20 4.128 12.640 -4.134 1.00 0.00 C ATOM 255 OG SER A 20 3.140 13.330 -4.879 1.00 0.00 O ATOM 0 H SER A 20 3.727 9.843 -4.365 1.00 0.00 H new ATOM 0 HA SER A 20 5.048 11.956 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.676 12.198 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.885 13.344 -3.789 1.00 0.00 H new ATOM 0 HG SER A 20 2.732 14.023 -4.319 1.00 0.00 H new ATOM 261 N HIS A 21 7.012 11.980 -4.112 1.00 0.00 N ATOM 262 CA HIS A 21 8.281 11.651 -3.473 1.00 0.00 C ATOM 263 C HIS A 21 8.149 11.689 -1.953 1.00 0.00 C ATOM 264 O HIS A 21 9.124 11.481 -1.231 1.00 0.00 O ATOM 265 CB HIS A 21 9.371 12.622 -3.926 1.00 0.00 C ATOM 266 CG HIS A 21 9.044 14.058 -3.658 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.222 14.808 -4.472 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.432 14.883 -2.657 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.120 16.031 -3.985 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.845 16.103 -2.883 1.00 0.00 N ATOM 0 H HIS A 21 6.924 12.955 -4.398 1.00 0.00 H new ATOM 0 HA HIS A 21 8.559 10.640 -3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.303 12.370 -3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.542 12.490 -4.994 1.00 0.00 H new ATOM 0 HD2 HIS A 21 10.083 14.628 -1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.542 16.836 -4.415 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.951 16.930 -2.296 1.00 0.00 H new ATOM 279 N ASP A 22 6.938 11.956 -1.476 1.00 0.00 N ATOM 280 CA ASP A 22 6.679 12.021 -0.042 1.00 0.00 C ATOM 281 C ASP A 22 5.438 11.213 0.323 1.00 0.00 C ATOM 282 O ASP A 22 5.000 11.216 1.473 1.00 0.00 O ATOM 283 CB ASP A 22 6.505 13.475 0.401 1.00 0.00 C ATOM 284 CG ASP A 22 5.688 14.286 -0.584 1.00 0.00 C ATOM 285 OD1 ASP A 22 4.451 14.117 -0.610 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.285 15.091 -1.330 1.00 0.00 O ATOM 0 H ASP A 22 6.121 12.131 -2.061 1.00 0.00 H new ATOM 0 HA ASP A 22 7.536 11.591 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.020 13.499 1.377 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.486 13.935 0.521 1.00 0.00 H new ATOM 291 N ALA A 23 4.876 10.524 -0.664 1.00 0.00 N ATOM 292 CA ALA A 23 3.685 9.710 -0.447 1.00 0.00 C ATOM 293 C ALA A 23 3.348 8.889 -1.687 1.00 0.00 C ATOM 294 O ALA A 23 3.928 9.090 -2.753 1.00 0.00 O ATOM 295 CB ALA A 23 2.508 10.592 -0.058 1.00 0.00 C ATOM 0 H ALA A 23 5.226 10.513 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 23 3.891 9.017 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.626 9.972 0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.744 11.130 0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.310 11.307 -0.856 1.00 0.00 H new ATOM 301 N ALA A 24 2.406 7.964 -1.539 1.00 0.00 N ATOM 302 CA ALA A 24 1.990 7.113 -2.647 1.00 0.00 C ATOM 303 C ALA A 24 0.598 6.538 -2.406 1.00 0.00 C ATOM 304 O ALA A 24 0.327 5.966 -1.350 1.00 0.00 O ATOM 305 CB ALA A 24 2.997 5.992 -2.859 1.00 0.00 C ATOM 0 H ALA A 24 1.916 7.785 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 24 1.950 7.726 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.673 5.364 -3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.974 6.419 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.066 5.389 -1.954 1.00 0.00 H new ATOM 311 N ARG A 25 -0.280 6.695 -3.391 1.00 0.00 N ATOM 312 CA ARG A 25 -1.645 6.193 -3.284 1.00 0.00 C ATOM 313 C ARG A 25 -1.750 4.780 -3.850 1.00 0.00 C ATOM 314 O ARG A 25 -1.293 4.509 -4.960 1.00 0.00 O ATOM 315 CB ARG A 25 -2.612 7.122 -4.021 1.00 0.00 C ATOM 316 CG ARG A 25 -4.073 6.865 -3.692 1.00 0.00 C ATOM 317 CD ARG A 25 -4.990 7.810 -4.453 1.00 0.00 C ATOM 318 NE ARG A 25 -5.136 9.095 -3.775 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.077 9.983 -4.078 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.951 9.725 -5.041 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.145 11.130 -3.415 1.00 0.00 N ATOM 0 H ARG A 25 -0.071 7.165 -4.272 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.913 6.164 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.369 8.155 -3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.465 7.008 -5.095 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.326 5.834 -3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.233 6.986 -2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.593 7.972 -5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.970 7.348 -4.570 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.480 9.323 -3.028 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.902 8.843 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.672 10.408 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.475 11.330 -2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.867 11.812 -3.648 1.00 0.00 H new ATOM 335 N VAL A 26 -2.355 3.883 -3.078 1.00 0.00 N ATOM 336 CA VAL A 26 -2.521 2.497 -3.501 1.00 0.00 C ATOM 337 C VAL A 26 -3.987 2.083 -3.463 1.00 0.00 C ATOM 338 O VAL A 26 -4.593 1.999 -2.395 1.00 0.00 O ATOM 339 CB VAL A 26 -1.705 1.538 -2.615 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.080 1.713 -1.151 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.912 0.098 -3.059 1.00 0.00 C ATOM 0 H VAL A 26 -2.739 4.091 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.155 2.433 -4.526 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.648 1.780 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.493 1.027 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.875 2.738 -0.843 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.141 1.499 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.328 -0.567 -2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.968 -0.159 -2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.588 -0.014 -4.094 1.00 0.00 H new ATOM 351 N PHE A 27 -4.554 1.824 -4.637 1.00 0.00 N ATOM 352 CA PHE A 27 -5.951 1.419 -4.739 1.00 0.00 C ATOM 353 C PHE A 27 -6.073 0.049 -5.401 1.00 0.00 C ATOM 354 O PHE A 27 -5.171 -0.388 -6.117 1.00 0.00 O ATOM 355 CB PHE A 27 -6.748 2.455 -5.534 1.00 0.00 C ATOM 356 CG PHE A 27 -6.441 2.448 -7.005 1.00 0.00 C ATOM 357 CD1 PHE A 27 -5.326 3.107 -7.496 1.00 0.00 C ATOM 358 CD2 PHE A 27 -7.269 1.782 -7.895 1.00 0.00 C ATOM 359 CE1 PHE A 27 -5.041 3.102 -8.849 1.00 0.00 C ATOM 360 CE2 PHE A 27 -6.988 1.774 -9.249 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.874 2.435 -9.726 1.00 0.00 C ATOM 0 H PHE A 27 -4.067 1.887 -5.531 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.359 1.353 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.813 2.269 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.541 3.447 -5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.672 3.631 -6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.142 1.264 -7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.168 3.619 -9.220 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.640 1.251 -9.933 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.654 2.431 -10.783 1.00 0.00 H new ATOM 371 N TRP A 28 -7.192 -0.622 -5.157 1.00 0.00 N ATOM 372 CA TRP A 28 -7.432 -1.942 -5.728 1.00 0.00 C ATOM 373 C TRP A 28 -8.769 -1.983 -6.461 1.00 0.00 C ATOM 374 O TRP A 28 -9.614 -1.108 -6.277 1.00 0.00 O ATOM 375 CB TRP A 28 -7.405 -3.008 -4.631 1.00 0.00 C ATOM 376 CG TRP A 28 -8.085 -2.576 -3.367 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.326 -2.948 -2.936 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.561 -1.689 -2.372 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.605 -2.346 -1.732 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.538 -1.570 -1.365 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.361 -0.987 -2.233 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.351 -0.775 -0.237 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.176 -0.199 -1.114 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.166 -0.098 -0.127 1.00 0.00 C ATOM 0 H TRP A 28 -7.948 -0.274 -4.567 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.638 -2.150 -6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.885 -3.914 -5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.369 -3.264 -4.409 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.990 -3.617 -3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.467 -2.459 -1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.592 -1.059 -2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.113 -0.695 0.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.253 0.349 -0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.991 0.526 0.737 1.00 0.00 H new ATOM 395 N GLU A 29 -8.952 -3.004 -7.293 1.00 0.00 N ATOM 396 CA GLU A 29 -10.186 -3.157 -8.054 1.00 0.00 C ATOM 397 C GLU A 29 -11.277 -3.794 -7.198 1.00 0.00 C ATOM 398 O GLU A 29 -12.287 -4.270 -7.715 1.00 0.00 O ATOM 399 CB GLU A 29 -9.940 -4.006 -9.302 1.00 0.00 C ATOM 400 CG GLU A 29 -9.493 -3.199 -10.510 1.00 0.00 C ATOM 401 CD GLU A 29 -8.721 -4.031 -11.515 1.00 0.00 C ATOM 402 OE1 GLU A 29 -7.500 -4.209 -11.326 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.340 -4.504 -12.492 1.00 0.00 O ATOM 0 H GLU A 29 -8.262 -3.737 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.520 -2.165 -8.359 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.182 -4.757 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.855 -4.542 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.367 -2.767 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.870 -2.368 -10.177 1.00 0.00 H new ATOM 410 N GLY A 30 -11.064 -3.801 -5.886 1.00 0.00 N ATOM 411 CA GLY A 30 -12.036 -4.383 -4.979 1.00 0.00 C ATOM 412 C GLY A 30 -11.934 -5.894 -4.912 1.00 0.00 C ATOM 413 O GLY A 30 -10.999 -6.484 -5.451 1.00 0.00 O ATOM 0 H GLY A 30 -10.235 -3.414 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.892 -3.968 -3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.040 -4.103 -5.299 1.00 0.00 H new ATOM 417 N ALA A 31 -12.899 -6.521 -4.247 1.00 0.00 N ATOM 418 CA ALA A 31 -12.914 -7.972 -4.111 1.00 0.00 C ATOM 419 C ALA A 31 -14.267 -8.548 -4.516 1.00 0.00 C ATOM 420 O ALA A 31 -15.290 -7.862 -4.500 1.00 0.00 O ATOM 421 CB ALA A 31 -12.574 -8.372 -2.683 1.00 0.00 C ATOM 0 H ALA A 31 -13.680 -6.047 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.159 -8.382 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.589 -9.458 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.581 -8.001 -2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.308 -7.943 -2.001 1.00 0.00 H new ATOM 427 N PRO A 32 -14.275 -9.836 -4.888 1.00 0.00 N ATOM 428 CA PRO A 32 -15.497 -10.532 -5.305 1.00 0.00 C ATOM 429 C PRO A 32 -16.458 -10.760 -4.143 1.00 0.00 C ATOM 430 O PRO A 32 -17.539 -11.323 -4.321 1.00 0.00 O ATOM 431 CB PRO A 32 -14.978 -11.869 -5.840 1.00 0.00 C ATOM 432 CG PRO A 32 -13.682 -12.081 -5.137 1.00 0.00 C ATOM 433 CD PRO A 32 -13.093 -10.713 -4.932 1.00 0.00 C ATOM 0 HA PRO A 32 -16.065 -9.957 -6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.678 -12.678 -5.631 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.841 -11.837 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.834 -12.587 -4.184 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.015 -12.708 -5.729 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.517 -10.658 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.420 -10.439 -5.744 1.00 0.00 H new ATOM 441 N ARG A 33 -16.059 -10.318 -2.955 1.00 0.00 N ATOM 442 CA ARG A 33 -16.886 -10.475 -1.765 1.00 0.00 C ATOM 443 C ARG A 33 -16.818 -9.228 -0.887 1.00 0.00 C ATOM 444 O ARG A 33 -15.836 -8.485 -0.898 1.00 0.00 O ATOM 445 CB ARG A 33 -16.439 -11.700 -0.965 1.00 0.00 C ATOM 446 CG ARG A 33 -15.234 -11.440 -0.076 1.00 0.00 C ATOM 447 CD ARG A 33 -14.979 -12.602 0.871 1.00 0.00 C ATOM 448 NE ARG A 33 -15.817 -12.529 2.065 1.00 0.00 N ATOM 449 CZ ARG A 33 -15.995 -13.545 2.902 1.00 0.00 C ATOM 450 NH1 ARG A 33 -15.397 -14.707 2.675 1.00 0.00 N ATOM 451 NH2 ARG A 33 -16.773 -13.401 3.967 1.00 0.00 N ATOM 0 H ARG A 33 -15.168 -9.849 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.918 -10.616 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.269 -12.042 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.202 -12.508 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.353 -11.274 -0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.395 -10.529 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.169 -13.541 0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.929 -12.607 1.165 1.00 0.00 H new ATOM 0 HE ARG A 33 -16.292 -11.649 2.267 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.799 -14.822 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.535 -15.486 3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -17.235 -12.509 4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.909 -14.182 4.609 1.00 0.00 H new ATOM 465 N PRO A 34 -17.885 -8.993 -0.109 1.00 0.00 N ATOM 466 CA PRO A 34 -17.970 -7.837 0.788 1.00 0.00 C ATOM 467 C PRO A 34 -17.011 -7.948 1.969 1.00 0.00 C ATOM 468 O PRO A 34 -16.796 -9.034 2.507 1.00 0.00 O ATOM 469 CB PRO A 34 -19.421 -7.871 1.273 1.00 0.00 C ATOM 470 CG PRO A 34 -19.830 -9.298 1.147 1.00 0.00 C ATOM 471 CD PRO A 34 -19.090 -9.836 -0.046 1.00 0.00 C ATOM 0 HA PRO A 34 -17.696 -6.910 0.285 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.502 -7.526 2.304 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.056 -7.223 0.669 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.578 -9.857 2.048 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.908 -9.385 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.838 -10.889 0.079 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.684 -9.757 -0.957 1.00 0.00 H new ATOM 479 N VAL A 35 -16.437 -6.817 2.368 1.00 0.00 N ATOM 480 CA VAL A 35 -15.502 -6.787 3.486 1.00 0.00 C ATOM 481 C VAL A 35 -15.995 -5.857 4.589 1.00 0.00 C ATOM 482 O VAL A 35 -16.762 -4.928 4.336 1.00 0.00 O ATOM 483 CB VAL A 35 -14.102 -6.333 3.034 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.257 -5.934 4.235 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.419 -7.431 2.232 1.00 0.00 C ATOM 0 H VAL A 35 -16.603 -5.909 1.933 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.438 -7.804 3.874 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.212 -5.460 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.271 -5.616 3.897 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.741 -5.113 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.153 -6.787 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.431 -7.093 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.319 -8.324 2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.017 -7.664 1.351 1.00 0.00 H new ATOM 495 N ARG A 36 -15.548 -6.114 5.815 1.00 0.00 N ATOM 496 CA ARG A 36 -15.944 -5.300 6.958 1.00 0.00 C ATOM 497 C ARG A 36 -14.911 -4.212 7.234 1.00 0.00 C ATOM 498 O ARG A 36 -15.261 -3.079 7.567 1.00 0.00 O ATOM 499 CB ARG A 36 -16.121 -6.178 8.199 1.00 0.00 C ATOM 500 CG ARG A 36 -14.879 -6.976 8.562 1.00 0.00 C ATOM 501 CD ARG A 36 -15.011 -7.616 9.935 1.00 0.00 C ATOM 502 NE ARG A 36 -13.775 -8.271 10.354 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.710 -9.156 11.342 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.806 -9.491 12.009 1.00 0.00 N ATOM 505 NH2 ARG A 36 -12.548 -9.709 11.665 1.00 0.00 N ATOM 0 H ARG A 36 -14.912 -6.879 6.041 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.895 -4.822 6.721 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.397 -5.547 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.949 -6.867 8.031 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.710 -7.750 7.813 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.007 -6.322 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.283 -6.854 10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.821 -8.346 9.919 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.914 -8.036 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.701 -9.069 11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.754 -10.171 12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.703 -9.455 11.154 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.500 -10.389 12.424 1.00 0.00 H new ATOM 519 N LEU A 37 -13.638 -4.563 7.096 1.00 0.00 N ATOM 520 CA LEU A 37 -12.552 -3.617 7.331 1.00 0.00 C ATOM 521 C LEU A 37 -11.297 -4.027 6.568 1.00 0.00 C ATOM 522 O LEU A 37 -11.117 -5.198 6.231 1.00 0.00 O ATOM 523 CB LEU A 37 -12.246 -3.523 8.826 1.00 0.00 C ATOM 524 CG LEU A 37 -11.191 -2.494 9.232 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.815 -1.113 9.363 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.520 -2.904 10.535 1.00 0.00 C ATOM 0 H LEU A 37 -13.331 -5.497 6.822 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.871 -2.639 6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.172 -3.291 9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.920 -4.504 9.172 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.431 -2.454 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.049 -0.394 9.653 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.248 -0.817 8.407 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.596 -1.137 10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.772 -2.160 10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.269 -2.973 11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.038 -3.873 10.407 1.00 0.00 H new ATOM 538 N VAL A 38 -10.430 -3.056 6.299 1.00 0.00 N ATOM 539 CA VAL A 38 -9.189 -3.317 5.579 1.00 0.00 C ATOM 540 C VAL A 38 -7.988 -2.759 6.334 1.00 0.00 C ATOM 541 O VAL A 38 -8.104 -1.776 7.066 1.00 0.00 O ATOM 542 CB VAL A 38 -9.222 -2.706 4.166 1.00 0.00 C ATOM 543 CG1 VAL A 38 -7.912 -2.970 3.439 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.400 -3.256 3.375 1.00 0.00 C ATOM 0 H VAL A 38 -10.564 -2.082 6.569 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.092 -4.400 5.497 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.348 -1.627 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.954 -2.531 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.089 -2.524 3.998 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.753 -4.045 3.355 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.408 -2.813 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.308 -4.339 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.330 -3.010 3.889 1.00 0.00 H new ATOM 554 N ARG A 39 -6.834 -3.393 6.151 1.00 0.00 N ATOM 555 CA ARG A 39 -5.611 -2.961 6.816 1.00 0.00 C ATOM 556 C ARG A 39 -4.418 -3.045 5.868 1.00 0.00 C ATOM 557 O ARG A 39 -3.956 -4.135 5.530 1.00 0.00 O ATOM 558 CB ARG A 39 -5.350 -3.816 8.057 1.00 0.00 C ATOM 559 CG ARG A 39 -4.649 -3.065 9.177 1.00 0.00 C ATOM 560 CD ARG A 39 -4.281 -3.993 10.325 1.00 0.00 C ATOM 561 NE ARG A 39 -5.350 -4.089 11.315 1.00 0.00 N ATOM 562 CZ ARG A 39 -5.356 -4.975 12.305 1.00 0.00 C ATOM 563 NH1 ARG A 39 -4.356 -5.836 12.436 1.00 0.00 N ATOM 564 NH2 ARG A 39 -6.365 -5.001 13.167 1.00 0.00 N ATOM 0 H ARG A 39 -6.721 -4.208 5.548 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.740 -1.922 7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.299 -4.202 8.428 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.745 -4.677 7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.748 -2.589 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.297 -2.269 9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.060 -4.986 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.372 -3.631 10.806 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.134 -3.441 11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.579 -5.819 11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.364 -6.515 13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.136 -4.341 13.069 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.369 -5.681 13.927 1.00 0.00 H new ATOM 578 N VAL A 40 -3.925 -1.887 5.441 1.00 0.00 N ATOM 579 CA VAL A 40 -2.787 -1.829 4.532 1.00 0.00 C ATOM 580 C VAL A 40 -1.471 -1.789 5.302 1.00 0.00 C ATOM 581 O VAL A 40 -1.420 -1.333 6.444 1.00 0.00 O ATOM 582 CB VAL A 40 -2.866 -0.598 3.610 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.738 -0.620 2.590 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.220 -0.537 2.918 1.00 0.00 C ATOM 0 H VAL A 40 -4.296 -0.976 5.710 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.822 -2.732 3.923 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.754 0.298 4.220 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.811 0.258 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.779 -0.612 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.815 -1.522 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.259 0.339 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.364 -1.437 2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.009 -0.469 3.667 1.00 0.00 H new ATOM 594 N THR A 41 -0.406 -2.271 4.668 1.00 0.00 N ATOM 595 CA THR A 41 0.910 -2.292 5.292 1.00 0.00 C ATOM 596 C THR A 41 2.016 -2.199 4.247 1.00 0.00 C ATOM 597 O THR A 41 2.181 -3.098 3.421 1.00 0.00 O ATOM 598 CB THR A 41 1.116 -3.570 6.128 1.00 0.00 C ATOM 599 OG1 THR A 41 0.486 -4.683 5.483 1.00 0.00 O ATOM 600 CG2 THR A 41 0.545 -3.399 7.527 1.00 0.00 C ATOM 0 H THR A 41 -0.430 -2.652 3.722 1.00 0.00 H new ATOM 0 HA THR A 41 0.961 -1.424 5.950 1.00 0.00 H new ATOM 0 HB THR A 41 2.187 -3.756 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.622 -5.492 6.019 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.702 -4.314 8.098 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.046 -2.569 8.026 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.523 -3.191 7.461 1.00 0.00 H new ATOM 608 N TYR A 42 2.772 -1.108 4.289 1.00 0.00 N ATOM 609 CA TYR A 42 3.862 -0.897 3.343 1.00 0.00 C ATOM 610 C TYR A 42 5.215 -1.004 4.039 1.00 0.00 C ATOM 611 O TYR A 42 5.297 -0.996 5.268 1.00 0.00 O ATOM 612 CB TYR A 42 3.727 0.472 2.675 1.00 0.00 C ATOM 613 CG TYR A 42 3.288 1.567 3.620 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.965 1.668 4.032 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.198 2.501 4.103 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.560 2.668 4.895 1.00 0.00 C ATOM 617 CE2 TYR A 42 3.801 3.503 4.967 1.00 0.00 C ATOM 618 CZ TYR A 42 2.482 3.582 5.360 1.00 0.00 C ATOM 619 OH TYR A 42 2.082 4.579 6.221 1.00 0.00 O ATOM 0 H TYR A 42 2.651 -0.356 4.967 1.00 0.00 H new ATOM 0 HA TYR A 42 3.803 -1.674 2.580 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.685 0.747 2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.009 0.399 1.858 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.241 0.953 3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.232 2.442 3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.527 2.734 5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.520 4.221 5.333 1.00 0.00 H new ATOM 0 HH TYR A 42 2.852 5.138 6.455 1.00 0.00 H new ATOM 629 N VAL A 43 6.276 -1.105 3.245 1.00 0.00 N ATOM 630 CA VAL A 43 7.627 -1.212 3.782 1.00 0.00 C ATOM 631 C VAL A 43 8.669 -0.861 2.726 1.00 0.00 C ATOM 632 O VAL A 43 8.490 -1.150 1.543 1.00 0.00 O ATOM 633 CB VAL A 43 7.909 -2.630 4.314 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.864 -3.644 3.180 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.252 -2.674 5.027 1.00 0.00 C ATOM 0 H VAL A 43 6.226 -1.115 2.226 1.00 0.00 H new ATOM 0 HA VAL A 43 7.696 -0.502 4.606 1.00 0.00 H new ATOM 0 HB VAL A 43 7.133 -2.891 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.065 -4.640 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.877 -3.629 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.617 -3.390 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.435 -3.683 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.043 -2.393 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.242 -1.977 5.865 1.00 0.00 H new ATOM 645 N SER A 44 9.758 -0.236 3.161 1.00 0.00 N ATOM 646 CA SER A 44 10.828 0.159 2.253 1.00 0.00 C ATOM 647 C SER A 44 11.514 -1.067 1.657 1.00 0.00 C ATOM 648 O SER A 44 11.456 -2.160 2.221 1.00 0.00 O ATOM 649 CB SER A 44 11.853 1.026 2.985 1.00 0.00 C ATOM 650 OG SER A 44 13.073 1.091 2.266 1.00 0.00 O ATOM 0 H SER A 44 9.923 0.008 4.138 1.00 0.00 H new ATOM 0 HA SER A 44 10.387 0.738 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.453 2.031 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.035 0.618 3.979 1.00 0.00 H new ATOM 0 HG SER A 44 13.711 1.653 2.754 1.00 0.00 H new ATOM 656 N SER A 45 12.164 -0.876 0.514 1.00 0.00 N ATOM 657 CA SER A 45 12.859 -1.966 -0.161 1.00 0.00 C ATOM 658 C SER A 45 13.848 -2.646 0.781 1.00 0.00 C ATOM 659 O SER A 45 13.826 -3.866 0.944 1.00 0.00 O ATOM 660 CB SER A 45 13.593 -1.443 -1.397 1.00 0.00 C ATOM 661 OG SER A 45 13.778 -2.472 -2.354 1.00 0.00 O ATOM 0 H SER A 45 12.224 0.023 0.036 1.00 0.00 H new ATOM 0 HA SER A 45 12.116 -2.700 -0.472 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.025 -0.626 -1.842 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.561 -1.036 -1.104 1.00 0.00 H new ATOM 0 HG SER A 45 14.248 -2.112 -3.135 1.00 0.00 H new ATOM 667 N GLU A 46 14.713 -1.848 1.398 1.00 0.00 N ATOM 668 CA GLU A 46 15.710 -2.373 2.323 1.00 0.00 C ATOM 669 C GLU A 46 15.167 -2.404 3.749 1.00 0.00 C ATOM 670 O GLU A 46 15.848 -2.008 4.693 1.00 0.00 O ATOM 671 CB GLU A 46 16.984 -1.527 2.269 1.00 0.00 C ATOM 672 CG GLU A 46 16.759 -0.066 2.623 1.00 0.00 C ATOM 673 CD GLU A 46 16.949 0.212 4.102 1.00 0.00 C ATOM 674 OE1 GLU A 46 17.729 -0.518 4.748 1.00 0.00 O ATOM 675 OE2 GLU A 46 16.316 1.160 4.612 1.00 0.00 O ATOM 0 H GLU A 46 14.744 -0.836 1.274 1.00 0.00 H new ATOM 0 HA GLU A 46 15.947 -3.393 2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.720 -1.949 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.409 -1.588 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.448 0.553 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.750 0.224 2.329 1.00 0.00 H new ATOM 682 N GLY A 47 13.933 -2.878 3.896 1.00 0.00 N ATOM 683 CA GLY A 47 13.318 -2.951 5.208 1.00 0.00 C ATOM 684 C GLY A 47 13.627 -1.738 6.062 1.00 0.00 C ATOM 685 O GLY A 47 13.826 -1.855 7.270 1.00 0.00 O ATOM 0 H GLY A 47 13.349 -3.213 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.238 -3.046 5.095 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.665 -3.849 5.719 1.00 0.00 H new ATOM 689 N GLY A 48 13.671 -0.568 5.432 1.00 0.00 N ATOM 690 CA GLY A 48 13.961 0.655 6.158 1.00 0.00 C ATOM 691 C GLY A 48 12.752 1.190 6.899 1.00 0.00 C ATOM 692 O GLY A 48 12.537 0.866 8.067 1.00 0.00 O ATOM 0 H GLY A 48 13.511 -0.445 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.766 0.470 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.320 1.412 5.460 1.00 0.00 H new ATOM 696 N HIS A 49 11.960 2.015 6.219 1.00 0.00 N ATOM 697 CA HIS A 49 10.767 2.597 6.822 1.00 0.00 C ATOM 698 C HIS A 49 9.526 1.784 6.466 1.00 0.00 C ATOM 699 O HIS A 49 9.389 1.302 5.341 1.00 0.00 O ATOM 700 CB HIS A 49 10.591 4.044 6.360 1.00 0.00 C ATOM 701 CG HIS A 49 9.180 4.536 6.453 1.00 0.00 C ATOM 702 ND1 HIS A 49 8.444 4.926 5.354 1.00 0.00 N ATOM 703 CD2 HIS A 49 8.368 4.699 7.524 1.00 0.00 C ATOM 704 CE1 HIS A 49 7.241 5.309 5.745 1.00 0.00 C ATOM 705 NE2 HIS A 49 7.170 5.180 7.058 1.00 0.00 N ATOM 0 H HIS A 49 12.123 2.294 5.252 1.00 0.00 H new ATOM 0 HA HIS A 49 10.893 2.581 7.905 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.232 4.689 6.961 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.930 4.131 5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.617 4.489 8.554 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.451 5.666 5.101 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.357 5.402 7.632 1.00 0.00 H new ATOM 714 N SER A 50 8.625 1.633 7.432 1.00 0.00 N ATOM 715 CA SER A 50 7.399 0.874 7.222 1.00 0.00 C ATOM 716 C SER A 50 6.208 1.575 7.869 1.00 0.00 C ATOM 717 O SER A 50 6.372 2.398 8.768 1.00 0.00 O ATOM 718 CB SER A 50 7.544 -0.538 7.792 1.00 0.00 C ATOM 719 OG SER A 50 7.718 -0.505 9.198 1.00 0.00 O ATOM 0 H SER A 50 8.722 2.027 8.368 1.00 0.00 H new ATOM 0 HA SER A 50 7.221 0.809 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.660 -1.126 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.396 -1.035 7.328 1.00 0.00 H new ATOM 0 HG SER A 50 7.807 -1.420 9.538 1.00 0.00 H new ATOM 725 N GLY A 51 5.008 1.243 7.402 1.00 0.00 N ATOM 726 CA GLY A 51 3.807 1.849 7.945 1.00 0.00 C ATOM 727 C GLY A 51 2.644 0.879 8.005 1.00 0.00 C ATOM 728 O GLY A 51 2.800 -0.305 7.709 1.00 0.00 O ATOM 0 H GLY A 51 4.847 0.565 6.657 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.015 2.225 8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.529 2.708 7.334 1.00 0.00 H new ATOM 732 N GLN A 52 1.475 1.381 8.391 1.00 0.00 N ATOM 733 CA GLN A 52 0.282 0.549 8.491 1.00 0.00 C ATOM 734 C GLN A 52 -0.960 1.404 8.721 1.00 0.00 C ATOM 735 O GLN A 52 -1.105 2.039 9.767 1.00 0.00 O ATOM 736 CB GLN A 52 0.436 -0.465 9.626 1.00 0.00 C ATOM 737 CG GLN A 52 -0.833 -1.250 9.916 1.00 0.00 C ATOM 738 CD GLN A 52 -0.648 -2.272 11.020 1.00 0.00 C ATOM 739 OE1 GLN A 52 0.322 -3.030 11.024 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.580 -2.298 11.966 1.00 0.00 N ATOM 0 H GLN A 52 1.329 2.359 8.639 1.00 0.00 H new ATOM 0 HA GLN A 52 0.162 0.014 7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.235 -1.162 9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.744 0.059 10.531 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.627 -0.558 10.196 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.157 -1.757 9.007 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.368 -1.651 11.924 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.508 -2.965 12.735 1.00 0.00 H new ATOM 749 N THR A 53 -1.855 1.416 7.738 1.00 0.00 N ATOM 750 CA THR A 53 -3.084 2.193 7.833 1.00 0.00 C ATOM 751 C THR A 53 -4.306 1.325 7.557 1.00 0.00 C ATOM 752 O THR A 53 -4.297 0.496 6.649 1.00 0.00 O ATOM 753 CB THR A 53 -3.076 3.378 6.849 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.042 4.356 7.251 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.382 2.908 5.434 1.00 0.00 C ATOM 0 H THR A 53 -1.751 0.896 6.867 1.00 0.00 H new ATOM 0 HA THR A 53 -3.138 2.577 8.852 1.00 0.00 H new ATOM 0 HB THR A 53 -2.082 3.824 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.029 5.107 6.621 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.371 3.762 4.757 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.629 2.186 5.120 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.366 2.439 5.411 1.00 0.00 H new ATOM 763 N GLU A 54 -5.358 1.524 8.346 1.00 0.00 N ATOM 764 CA GLU A 54 -6.588 0.758 8.186 1.00 0.00 C ATOM 765 C GLU A 54 -7.670 1.600 7.515 1.00 0.00 C ATOM 766 O GLU A 54 -7.642 2.829 7.578 1.00 0.00 O ATOM 767 CB GLU A 54 -7.084 0.257 9.543 1.00 0.00 C ATOM 768 CG GLU A 54 -8.597 0.153 9.638 1.00 0.00 C ATOM 769 CD GLU A 54 -9.267 1.506 9.782 1.00 0.00 C ATOM 770 OE1 GLU A 54 -9.147 2.116 10.865 1.00 0.00 O ATOM 771 OE2 GLU A 54 -9.910 1.955 8.810 1.00 0.00 O ATOM 0 H GLU A 54 -5.383 2.209 9.102 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.371 -0.099 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.648 -0.722 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.725 0.929 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.980 -0.345 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.862 -0.472 10.491 1.00 0.00 H new ATOM 778 N ALA A 55 -8.621 0.929 6.874 1.00 0.00 N ATOM 779 CA ALA A 55 -9.712 1.615 6.193 1.00 0.00 C ATOM 780 C ALA A 55 -11.003 0.807 6.274 1.00 0.00 C ATOM 781 O ALA A 55 -11.002 -0.380 6.603 1.00 0.00 O ATOM 782 CB ALA A 55 -9.344 1.882 4.741 1.00 0.00 C ATOM 0 H ALA A 55 -8.658 -0.088 6.812 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.878 2.568 6.695 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.168 2.395 4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.451 2.506 4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.148 0.936 4.235 1.00 0.00 H new ATOM 788 N PRO A 56 -12.133 1.462 5.967 1.00 0.00 N ATOM 789 CA PRO A 56 -13.452 0.823 5.998 1.00 0.00 C ATOM 790 C PRO A 56 -13.626 -0.200 4.881 1.00 0.00 C ATOM 791 O PRO A 56 -12.929 -0.153 3.869 1.00 0.00 O ATOM 792 CB PRO A 56 -14.418 1.995 5.806 1.00 0.00 C ATOM 793 CG PRO A 56 -13.624 3.026 5.080 1.00 0.00 C ATOM 794 CD PRO A 56 -12.209 2.877 5.567 1.00 0.00 C ATOM 0 HA PRO A 56 -13.614 0.266 6.921 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.295 1.695 5.233 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.777 2.373 6.763 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.683 2.877 4.002 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.004 4.027 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.488 3.113 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.000 3.543 6.404 1.00 0.00 H new ATOM 802 N GLY A 57 -14.563 -1.124 5.073 1.00 0.00 N ATOM 803 CA GLY A 57 -14.812 -2.146 4.072 1.00 0.00 C ATOM 804 C GLY A 57 -15.223 -1.560 2.736 1.00 0.00 C ATOM 805 O GLY A 57 -15.202 -2.249 1.716 1.00 0.00 O ATOM 0 H GLY A 57 -15.153 -1.183 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.913 -2.748 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.595 -2.816 4.428 1.00 0.00 H new ATOM 809 N ASN A 58 -15.599 -0.286 2.740 1.00 0.00 N ATOM 810 CA ASN A 58 -16.019 0.392 1.519 1.00 0.00 C ATOM 811 C ASN A 58 -14.882 1.229 0.943 1.00 0.00 C ATOM 812 O ASN A 58 -15.100 2.087 0.088 1.00 0.00 O ATOM 813 CB ASN A 58 -17.233 1.281 1.796 1.00 0.00 C ATOM 814 CG ASN A 58 -18.322 0.552 2.558 1.00 0.00 C ATOM 815 OD1 ASN A 58 -19.230 -0.028 1.963 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.237 0.579 3.883 1.00 0.00 N ATOM 0 H ASN A 58 -15.622 0.298 3.576 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.293 -0.368 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.917 2.155 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.636 1.645 0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.942 0.107 4.449 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.467 1.072 4.335 1.00 0.00 H new ATOM 823 N ALA A 59 -13.667 0.973 1.417 1.00 0.00 N ATOM 824 CA ALA A 59 -12.495 1.701 0.947 1.00 0.00 C ATOM 825 C ALA A 59 -11.769 0.926 -0.148 1.00 0.00 C ATOM 826 O ALA A 59 -11.287 -0.185 0.078 1.00 0.00 O ATOM 827 CB ALA A 59 -11.552 1.988 2.106 1.00 0.00 C ATOM 0 H ALA A 59 -13.469 0.267 2.126 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.832 2.647 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.681 2.532 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.068 2.590 2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.230 1.048 2.555 1.00 0.00 H new ATOM 833 N THR A 60 -11.695 1.518 -1.336 1.00 0.00 N ATOM 834 CA THR A 60 -11.031 0.882 -2.466 1.00 0.00 C ATOM 835 C THR A 60 -9.751 1.622 -2.838 1.00 0.00 C ATOM 836 O THR A 60 -9.177 1.393 -3.903 1.00 0.00 O ATOM 837 CB THR A 60 -11.952 0.823 -3.699 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.347 2.145 -4.080 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.188 -0.017 -3.411 1.00 0.00 C ATOM 0 H THR A 60 -12.087 2.437 -1.540 1.00 0.00 H new ATOM 0 HA THR A 60 -10.785 -0.134 -2.157 1.00 0.00 H new ATOM 0 HB THR A 60 -11.399 0.360 -4.516 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.931 2.098 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.824 -0.044 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.886 -1.031 -3.150 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.741 0.422 -2.581 1.00 0.00 H new ATOM 847 N SER A 61 -9.307 2.509 -1.954 1.00 0.00 N ATOM 848 CA SER A 61 -8.095 3.285 -2.191 1.00 0.00 C ATOM 849 C SER A 61 -7.645 3.992 -0.916 1.00 0.00 C ATOM 850 O SER A 61 -8.463 4.518 -0.163 1.00 0.00 O ATOM 851 CB SER A 61 -8.330 4.311 -3.301 1.00 0.00 C ATOM 852 OG SER A 61 -9.476 5.100 -3.032 1.00 0.00 O ATOM 0 H SER A 61 -9.768 2.709 -1.066 1.00 0.00 H new ATOM 0 HA SER A 61 -7.308 2.598 -2.502 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.456 4.955 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.454 3.798 -4.255 1.00 0.00 H new ATOM 0 HG SER A 61 -9.603 5.749 -3.755 1.00 0.00 H new ATOM 858 N ALA A 62 -6.336 3.999 -0.682 1.00 0.00 N ATOM 859 CA ALA A 62 -5.775 4.643 0.499 1.00 0.00 C ATOM 860 C ALA A 62 -4.373 5.174 0.221 1.00 0.00 C ATOM 861 O ALA A 62 -3.601 4.559 -0.514 1.00 0.00 O ATOM 862 CB ALA A 62 -5.752 3.671 1.669 1.00 0.00 C ATOM 0 H ALA A 62 -5.645 3.566 -1.295 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.411 5.490 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.331 4.165 2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.768 3.344 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.141 2.806 1.411 1.00 0.00 H new ATOM 868 N MET A 63 -4.050 6.318 0.815 1.00 0.00 N ATOM 869 CA MET A 63 -2.740 6.931 0.631 1.00 0.00 C ATOM 870 C MET A 63 -1.752 6.427 1.679 1.00 0.00 C ATOM 871 O MET A 63 -2.148 5.856 2.696 1.00 0.00 O ATOM 872 CB MET A 63 -2.850 8.455 0.708 1.00 0.00 C ATOM 873 CG MET A 63 -3.601 9.070 -0.461 1.00 0.00 C ATOM 874 SD MET A 63 -3.168 10.799 -0.733 1.00 0.00 S ATOM 875 CE MET A 63 -1.805 10.630 -1.883 1.00 0.00 C ATOM 0 H MET A 63 -4.677 6.839 1.428 1.00 0.00 H new ATOM 0 HA MET A 63 -2.371 6.651 -0.356 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.352 8.728 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.848 8.882 0.750 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.388 8.500 -1.365 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.673 8.992 -0.280 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.303 11.591 -1.997 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.097 9.894 -1.502 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.184 10.302 -2.851 1.00 0.00 H new ATOM 885 N LEU A 64 -0.466 6.641 1.424 1.00 0.00 N ATOM 886 CA LEU A 64 0.579 6.207 2.346 1.00 0.00 C ATOM 887 C LEU A 64 1.652 7.281 2.495 1.00 0.00 C ATOM 888 O LEU A 64 2.020 7.945 1.527 1.00 0.00 O ATOM 889 CB LEU A 64 1.210 4.903 1.856 1.00 0.00 C ATOM 890 CG LEU A 64 0.237 3.827 1.372 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.985 2.713 0.657 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.565 3.269 2.540 1.00 0.00 C ATOM 0 H LEU A 64 -0.122 7.112 0.587 1.00 0.00 H new ATOM 0 HA LEU A 64 0.122 6.037 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.895 5.138 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.809 4.486 2.666 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.456 4.283 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.276 1.957 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.514 3.124 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.702 2.259 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.252 2.505 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.114 2.829 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.132 4.073 3.009 1.00 0.00 H new ATOM 904 N GLY A 65 2.154 7.443 3.716 1.00 0.00 N ATOM 905 CA GLY A 65 3.182 8.436 3.969 1.00 0.00 C ATOM 906 C GLY A 65 3.250 8.841 5.428 1.00 0.00 C ATOM 907 O GLY A 65 2.449 8.403 6.254 1.00 0.00 O ATOM 0 H GLY A 65 1.867 6.905 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.149 8.040 3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.989 9.318 3.359 1.00 0.00 H new ATOM 911 N PRO A 66 4.227 9.696 5.764 1.00 0.00 N ATOM 912 CA PRO A 66 5.186 10.224 4.789 1.00 0.00 C ATOM 913 C PRO A 66 6.157 9.157 4.295 1.00 0.00 C ATOM 914 O PRO A 66 6.762 8.437 5.091 1.00 0.00 O ATOM 915 CB PRO A 66 5.934 11.303 5.576 1.00 0.00 C ATOM 916 CG PRO A 66 5.809 10.888 7.002 1.00 0.00 C ATOM 917 CD PRO A 66 4.470 10.214 7.121 1.00 0.00 C ATOM 0 HA PRO A 66 4.692 10.596 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.979 11.362 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.497 12.288 5.411 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.614 10.209 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.873 11.750 7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.488 9.413 7.860 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.694 10.914 7.429 1.00 0.00 H new ATOM 925 N LEU A 67 6.301 9.059 2.978 1.00 0.00 N ATOM 926 CA LEU A 67 7.199 8.079 2.378 1.00 0.00 C ATOM 927 C LEU A 67 8.524 8.724 1.984 1.00 0.00 C ATOM 928 O LEU A 67 8.742 9.913 2.220 1.00 0.00 O ATOM 929 CB LEU A 67 6.545 7.443 1.150 1.00 0.00 C ATOM 930 CG LEU A 67 5.150 6.852 1.364 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.612 6.272 0.065 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.182 5.789 2.452 1.00 0.00 C ATOM 0 H LEU A 67 5.808 9.646 2.306 1.00 0.00 H new ATOM 0 HA LEU A 67 7.398 7.305 3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.482 8.197 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.200 6.653 0.782 1.00 0.00 H new ATOM 0 HG LEU A 67 4.483 7.652 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.619 5.856 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.551 7.059 -0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.279 5.485 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.181 5.380 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.863 4.990 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.524 6.235 3.386 1.00 0.00 H new ATOM 944 N SER A 68 9.406 7.933 1.381 1.00 0.00 N ATOM 945 CA SER A 68 10.710 8.427 0.956 1.00 0.00 C ATOM 946 C SER A 68 10.722 8.708 -0.544 1.00 0.00 C ATOM 947 O SER A 68 9.717 8.522 -1.230 1.00 0.00 O ATOM 948 CB SER A 68 11.801 7.412 1.304 1.00 0.00 C ATOM 949 OG SER A 68 13.062 8.045 1.439 1.00 0.00 O ATOM 0 H SER A 68 9.241 6.948 1.176 1.00 0.00 H new ATOM 0 HA SER A 68 10.908 9.359 1.485 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.545 6.902 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.854 6.650 0.527 1.00 0.00 H new ATOM 0 HG SER A 68 13.742 7.376 1.663 1.00 0.00 H new ATOM 955 N SER A 69 11.867 9.160 -1.046 1.00 0.00 N ATOM 956 CA SER A 69 12.010 9.471 -2.463 1.00 0.00 C ATOM 957 C SER A 69 12.858 8.417 -3.168 1.00 0.00 C ATOM 958 O SER A 69 13.737 7.804 -2.562 1.00 0.00 O ATOM 959 CB SER A 69 12.642 10.853 -2.642 1.00 0.00 C ATOM 960 OG SER A 69 13.831 10.973 -1.881 1.00 0.00 O ATOM 0 H SER A 69 12.709 9.319 -0.492 1.00 0.00 H new ATOM 0 HA SER A 69 11.016 9.472 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.863 11.021 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.933 11.623 -2.338 1.00 0.00 H new ATOM 0 HG SER A 69 14.216 11.864 -2.014 1.00 0.00 H new ATOM 966 N SER A 70 12.589 8.213 -4.454 1.00 0.00 N ATOM 967 CA SER A 70 13.323 7.230 -5.242 1.00 0.00 C ATOM 968 C SER A 70 13.494 5.928 -4.465 1.00 0.00 C ATOM 969 O SER A 70 14.479 5.210 -4.641 1.00 0.00 O ATOM 970 CB SER A 70 14.693 7.784 -5.638 1.00 0.00 C ATOM 971 OG SER A 70 15.435 6.830 -6.379 1.00 0.00 O ATOM 0 H SER A 70 11.868 8.715 -4.972 1.00 0.00 H new ATOM 0 HA SER A 70 12.748 7.021 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.565 8.690 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.248 8.065 -4.743 1.00 0.00 H new ATOM 0 HG SER A 70 15.493 5.994 -5.871 1.00 0.00 H new ATOM 977 N THR A 71 12.526 5.629 -3.604 1.00 0.00 N ATOM 978 CA THR A 71 12.568 4.415 -2.799 1.00 0.00 C ATOM 979 C THR A 71 11.335 3.552 -3.040 1.00 0.00 C ATOM 980 O THR A 71 10.203 4.027 -2.944 1.00 0.00 O ATOM 981 CB THR A 71 12.667 4.740 -1.297 1.00 0.00 C ATOM 982 OG1 THR A 71 13.826 5.542 -1.045 1.00 0.00 O ATOM 983 CG2 THR A 71 12.737 3.465 -0.470 1.00 0.00 C ATOM 0 H THR A 71 11.703 6.211 -3.447 1.00 0.00 H new ATOM 0 HA THR A 71 13.458 3.865 -3.104 1.00 0.00 H new ATOM 0 HB THR A 71 11.773 5.293 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.722 6.413 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.806 3.721 0.587 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.840 2.870 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.615 2.889 -0.763 1.00 0.00 H new ATOM 991 N THR A 72 11.560 2.280 -3.354 1.00 0.00 N ATOM 992 CA THR A 72 10.467 1.351 -3.610 1.00 0.00 C ATOM 993 C THR A 72 9.827 0.883 -2.308 1.00 0.00 C ATOM 994 O THR A 72 10.512 0.401 -1.405 1.00 0.00 O ATOM 995 CB THR A 72 10.949 0.120 -4.402 1.00 0.00 C ATOM 996 OG1 THR A 72 11.749 0.537 -5.514 1.00 0.00 O ATOM 997 CG2 THR A 72 9.768 -0.700 -4.899 1.00 0.00 C ATOM 0 H THR A 72 12.490 1.870 -3.437 1.00 0.00 H new ATOM 0 HA THR A 72 9.728 1.889 -4.203 1.00 0.00 H new ATOM 0 HB THR A 72 11.548 -0.502 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.053 -0.250 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.133 -1.564 -5.455 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.177 -1.040 -4.048 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.147 -0.085 -5.550 1.00 0.00 H new ATOM 1005 N TYR A 73 8.510 1.028 -2.216 1.00 0.00 N ATOM 1006 CA TYR A 73 7.777 0.622 -1.023 1.00 0.00 C ATOM 1007 C TYR A 73 6.821 -0.525 -1.335 1.00 0.00 C ATOM 1008 O TYR A 73 5.903 -0.383 -2.144 1.00 0.00 O ATOM 1009 CB TYR A 73 6.999 1.807 -0.449 1.00 0.00 C ATOM 1010 CG TYR A 73 7.832 2.705 0.439 1.00 0.00 C ATOM 1011 CD1 TYR A 73 7.932 2.466 1.804 1.00 0.00 C ATOM 1012 CD2 TYR A 73 8.519 3.791 -0.089 1.00 0.00 C ATOM 1013 CE1 TYR A 73 8.691 3.285 2.618 1.00 0.00 C ATOM 1014 CE2 TYR A 73 9.281 4.614 0.718 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.364 4.357 2.071 1.00 0.00 C ATOM 1016 OH TYR A 73 10.122 5.173 2.878 1.00 0.00 O ATOM 0 H TYR A 73 7.928 1.424 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 73 8.500 0.278 -0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.594 2.397 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.150 1.431 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.408 1.626 2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.456 3.995 -1.148 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.757 3.086 3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.809 5.454 0.292 1.00 0.00 H new ATOM 0 HH TYR A 73 9.718 5.217 3.770 1.00 0.00 H new ATOM 1026 N THR A 74 7.042 -1.664 -0.685 1.00 0.00 N ATOM 1027 CA THR A 74 6.202 -2.837 -0.892 1.00 0.00 C ATOM 1028 C THR A 74 4.893 -2.719 -0.120 1.00 0.00 C ATOM 1029 O THR A 74 4.818 -3.083 1.054 1.00 0.00 O ATOM 1030 CB THR A 74 6.924 -4.128 -0.462 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.214 -4.197 -1.079 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.109 -5.356 -0.840 1.00 0.00 C ATOM 0 H THR A 74 7.796 -1.799 -0.011 1.00 0.00 H new ATOM 0 HA THR A 74 5.988 -2.888 -1.960 1.00 0.00 H new ATOM 0 HB THR A 74 7.041 -4.109 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.667 -5.020 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.639 -6.255 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.139 -5.315 -0.345 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.964 -5.378 -1.920 1.00 0.00 H new ATOM 1040 N VAL A 75 3.862 -2.208 -0.786 1.00 0.00 N ATOM 1041 CA VAL A 75 2.555 -2.044 -0.162 1.00 0.00 C ATOM 1042 C VAL A 75 1.838 -3.382 -0.026 1.00 0.00 C ATOM 1043 O VAL A 75 2.020 -4.281 -0.847 1.00 0.00 O ATOM 1044 CB VAL A 75 1.666 -1.078 -0.968 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.270 -1.008 -0.366 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.299 0.304 -1.028 1.00 0.00 C ATOM 0 H VAL A 75 3.907 -1.901 -1.758 1.00 0.00 H new ATOM 0 HA VAL A 75 2.729 -1.626 0.830 1.00 0.00 H new ATOM 0 HB VAL A 75 1.578 -1.457 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.343 -0.321 -0.949 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.182 -2.000 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.335 -0.653 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.658 0.973 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.419 0.694 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.275 0.237 -1.509 1.00 0.00 H new ATOM 1056 N ARG A 76 1.023 -3.508 1.017 1.00 0.00 N ATOM 1057 CA ARG A 76 0.280 -4.738 1.261 1.00 0.00 C ATOM 1058 C ARG A 76 -1.142 -4.431 1.724 1.00 0.00 C ATOM 1059 O ARG A 76 -1.355 -3.971 2.846 1.00 0.00 O ATOM 1060 CB ARG A 76 0.996 -5.592 2.309 1.00 0.00 C ATOM 1061 CG ARG A 76 0.579 -7.054 2.291 1.00 0.00 C ATOM 1062 CD ARG A 76 1.272 -7.844 3.390 1.00 0.00 C ATOM 1063 NE ARG A 76 0.551 -7.769 4.657 1.00 0.00 N ATOM 1064 CZ ARG A 76 0.677 -8.665 5.629 1.00 0.00 C ATOM 1065 NH1 ARG A 76 1.494 -9.699 5.480 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -0.013 -8.527 6.754 1.00 0.00 N ATOM 0 H ARG A 76 0.861 -2.773 1.706 1.00 0.00 H new ATOM 0 HA ARG A 76 0.227 -5.293 0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.072 -5.528 2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.799 -5.179 3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.501 -7.127 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.819 -7.490 1.321 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.361 -8.887 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.284 -7.464 3.526 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.085 -6.985 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.027 -9.807 4.617 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.589 -10.386 6.228 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.641 -7.732 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.085 -9.216 7.500 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.111 -4.688 0.852 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.512 -4.440 1.171 1.00 0.00 C ATOM 1082 C VAL A 77 -4.185 -5.699 1.705 1.00 0.00 C ATOM 1083 O VAL A 77 -4.537 -6.600 0.943 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.288 -3.940 -0.062 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.742 -3.671 0.295 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.632 -2.693 -0.635 1.00 0.00 C ATOM 0 H VAL A 77 -1.952 -5.068 -0.081 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.530 -3.668 1.940 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.264 -4.718 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.274 -3.319 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.204 -4.590 0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.791 -2.911 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.194 -2.354 -1.505 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.623 -1.907 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.609 -2.924 -0.931 1.00 0.00 H new ATOM 1096 N THR A 78 -4.362 -5.756 3.022 1.00 0.00 N ATOM 1097 CA THR A 78 -4.992 -6.904 3.660 1.00 0.00 C ATOM 1098 C THR A 78 -6.472 -6.645 3.920 1.00 0.00 C ATOM 1099 O THR A 78 -6.830 -5.740 4.675 1.00 0.00 O ATOM 1100 CB THR A 78 -4.303 -7.256 4.991 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.882 -7.144 4.852 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.664 -8.667 5.431 1.00 0.00 C ATOM 0 H THR A 78 -4.077 -5.019 3.667 1.00 0.00 H new ATOM 0 HA THR A 78 -4.888 -7.744 2.973 1.00 0.00 H new ATOM 0 HB THR A 78 -4.650 -6.555 5.750 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.451 -7.368 5.703 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.165 -8.893 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.743 -8.742 5.564 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.342 -9.379 4.671 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.327 -7.444 3.292 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.769 -7.301 3.456 1.00 0.00 C ATOM 1112 C CYS A 79 -9.323 -8.388 4.372 1.00 0.00 C ATOM 1113 O CYS A 79 -9.285 -9.573 4.041 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.467 -7.360 2.096 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.773 -6.235 0.862 1.00 0.00 S ATOM 0 H CYS A 79 -7.047 -8.198 2.664 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.963 -6.331 3.914 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.411 -8.380 1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.523 -7.127 2.231 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.427 -6.359 -0.255 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.836 -7.976 5.526 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.396 -8.914 6.493 1.00 0.00 C ATOM 1123 C LEU A 80 -11.896 -9.087 6.277 1.00 0.00 C ATOM 1124 O LEU A 80 -12.680 -8.173 6.533 1.00 0.00 O ATOM 1125 CB LEU A 80 -10.127 -8.430 7.918 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.731 -8.719 8.473 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.363 -10.178 8.258 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.701 -7.805 7.825 1.00 0.00 C ATOM 0 H LEU A 80 -9.876 -6.999 5.815 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.912 -9.880 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.294 -7.353 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.862 -8.888 8.581 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.738 -8.523 9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.367 -10.365 8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.085 -10.815 8.769 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.373 -10.402 7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.714 -8.024 8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.695 -7.970 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.956 -6.766 8.031 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.289 -10.265 5.806 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.695 -10.558 5.555 1.00 0.00 C ATOM 1142 C TYR A 81 -14.419 -10.905 6.853 1.00 0.00 C ATOM 1143 O TYR A 81 -13.858 -11.518 7.762 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.828 -11.712 4.560 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.139 -11.455 3.239 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.572 -10.443 2.392 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.053 -12.224 2.838 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.946 -10.205 1.184 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.420 -11.993 1.633 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.870 -10.982 0.809 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.243 -10.748 -0.393 1.00 0.00 O ATOM 0 H TYR A 81 -11.653 -11.033 5.590 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.155 -9.666 5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.413 -12.616 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.885 -11.903 4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.413 -9.831 2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.698 -13.016 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.297 -9.415 0.537 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.577 -12.600 1.337 1.00 0.00 H new ATOM 0 HH TYR A 81 -11.319 -9.798 -0.622 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.695 -10.504 6.942 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.525 -10.761 8.123 1.00 0.00 C ATOM 1163 C PRO A 82 -16.876 -12.238 8.274 1.00 0.00 C ATOM 1164 O PRO A 82 -17.573 -12.627 9.210 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.787 -9.936 7.857 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.853 -9.814 6.373 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.428 -9.768 5.897 1.00 0.00 C ATOM 0 HA PRO A 82 -16.012 -10.494 9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.674 -10.430 8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.728 -8.957 8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.383 -10.660 5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.392 -8.913 6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.315 -10.238 4.920 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.069 -8.743 5.801 1.00 0.00 H new ATOM 1175 N GLY A 83 -16.387 -13.056 7.347 1.00 0.00 N ATOM 1176 CA GLY A 83 -16.660 -14.480 7.396 1.00 0.00 C ATOM 1177 C GLY A 83 -15.444 -15.290 7.800 1.00 0.00 C ATOM 1178 O GLY A 83 -14.703 -14.902 8.702 1.00 0.00 O ATOM 0 H GLY A 83 -15.807 -12.758 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -17.469 -14.668 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.007 -14.814 6.418 1.00 0.00 H new ATOM 1182 N GLY A 84 -15.238 -16.420 7.131 1.00 0.00 N ATOM 1183 CA GLY A 84 -14.103 -17.269 7.441 1.00 0.00 C ATOM 1184 C GLY A 84 -13.059 -17.268 6.341 1.00 0.00 C ATOM 1185 O GLY A 84 -12.908 -18.251 5.618 1.00 0.00 O ATOM 0 H GLY A 84 -15.837 -16.763 6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.646 -16.933 8.372 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.451 -18.289 7.607 1.00 0.00 H new ATOM 1189 N GLY A 85 -12.338 -16.158 6.213 1.00 0.00 N ATOM 1190 CA GLY A 85 -11.315 -16.052 5.190 1.00 0.00 C ATOM 1191 C GLY A 85 -10.729 -14.657 5.098 1.00 0.00 C ATOM 1192 O GLY A 85 -11.169 -13.744 5.797 1.00 0.00 O ATOM 0 H GLY A 85 -12.445 -15.331 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.518 -16.764 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.740 -16.328 4.225 1.00 0.00 H new ATOM 1196 N SER A 86 -9.732 -14.492 4.235 1.00 0.00 N ATOM 1197 CA SER A 86 -9.081 -13.199 4.058 1.00 0.00 C ATOM 1198 C SER A 86 -8.247 -13.181 2.780 1.00 0.00 C ATOM 1199 O SER A 86 -7.913 -14.230 2.229 1.00 0.00 O ATOM 1200 CB SER A 86 -8.194 -12.881 5.263 1.00 0.00 C ATOM 1201 OG SER A 86 -7.330 -13.965 5.560 1.00 0.00 O ATOM 0 H SER A 86 -9.357 -15.237 3.648 1.00 0.00 H new ATOM 0 HA SER A 86 -9.857 -12.438 3.976 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.604 -11.987 5.059 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.817 -12.661 6.130 1.00 0.00 H new ATOM 0 HG SER A 86 -6.772 -13.737 6.333 1.00 0.00 H new ATOM 1207 N SER A 87 -7.914 -11.981 2.315 1.00 0.00 N ATOM 1208 CA SER A 87 -7.122 -11.825 1.101 1.00 0.00 C ATOM 1209 C SER A 87 -6.157 -10.650 1.229 1.00 0.00 C ATOM 1210 O SER A 87 -6.522 -9.581 1.720 1.00 0.00 O ATOM 1211 CB SER A 87 -8.038 -11.617 -0.107 1.00 0.00 C ATOM 1212 OG SER A 87 -8.531 -12.855 -0.591 1.00 0.00 O ATOM 0 H SER A 87 -8.180 -11.103 2.761 1.00 0.00 H new ATOM 0 HA SER A 87 -6.541 -12.736 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.872 -10.973 0.172 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.491 -11.105 -0.899 1.00 0.00 H new ATOM 0 HG SER A 87 -8.462 -13.532 0.114 1.00 0.00 H new ATOM 1218 N THR A 88 -4.921 -10.856 0.783 1.00 0.00 N ATOM 1219 CA THR A 88 -3.902 -9.816 0.848 1.00 0.00 C ATOM 1220 C THR A 88 -3.298 -9.553 -0.527 1.00 0.00 C ATOM 1221 O THR A 88 -2.821 -10.472 -1.193 1.00 0.00 O ATOM 1222 CB THR A 88 -2.776 -10.195 1.828 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.317 -10.414 3.135 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.720 -9.101 1.887 1.00 0.00 C ATOM 0 H THR A 88 -4.602 -11.734 0.373 1.00 0.00 H new ATOM 0 HA THR A 88 -4.394 -8.911 1.204 1.00 0.00 H new ATOM 0 HB THR A 88 -2.307 -11.112 1.472 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.595 -10.656 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.935 -9.391 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.289 -8.957 0.896 1.00 0.00 H new ATOM 0 HG23 THR A 88 -2.178 -8.171 2.222 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.320 -8.292 -0.945 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.772 -7.907 -2.241 1.00 0.00 C ATOM 1234 C LEU A 89 -1.516 -7.059 -2.071 1.00 0.00 C ATOM 1235 O LEU A 89 -1.593 -5.866 -1.774 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.817 -7.134 -3.049 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.868 -7.980 -3.768 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.172 -7.208 -3.906 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.358 -8.416 -5.134 1.00 0.00 C ATOM 0 H LEU A 89 -3.711 -7.519 -0.406 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.504 -8.816 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.330 -6.446 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.298 -6.527 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.059 -8.872 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.908 -7.826 -4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.546 -6.946 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.997 -6.298 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.119 -9.017 -5.632 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.138 -7.536 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.451 -9.008 -5.012 1.00 0.00 H new ATOM 1251 N THR A 90 -0.357 -7.682 -2.264 1.00 0.00 N ATOM 1252 CA THR A 90 0.916 -6.985 -2.134 1.00 0.00 C ATOM 1253 C THR A 90 1.314 -6.317 -3.445 1.00 0.00 C ATOM 1254 O THR A 90 0.900 -6.744 -4.521 1.00 0.00 O ATOM 1255 CB THR A 90 2.040 -7.945 -1.698 1.00 0.00 C ATOM 1256 OG1 THR A 90 1.493 -9.024 -0.933 1.00 0.00 O ATOM 1257 CG2 THR A 90 3.088 -7.212 -0.874 1.00 0.00 C ATOM 0 H THR A 90 -0.274 -8.668 -2.511 1.00 0.00 H new ATOM 0 HA THR A 90 0.782 -6.222 -1.367 1.00 0.00 H new ATOM 0 HB THR A 90 2.517 -8.341 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.213 -9.630 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.871 -7.910 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.523 -6.410 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.621 -6.791 0.016 1.00 0.00 H new ATOM 1265 N GLY A 91 2.122 -5.265 -3.346 1.00 0.00 N ATOM 1266 CA GLY A 91 2.563 -4.555 -4.532 1.00 0.00 C ATOM 1267 C GLY A 91 3.881 -3.837 -4.322 1.00 0.00 C ATOM 1268 O GLY A 91 4.623 -4.147 -3.389 1.00 0.00 O ATOM 0 H GLY A 91 2.479 -4.892 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.665 -5.260 -5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.801 -3.832 -4.823 1.00 0.00 H new ATOM 1272 N ARG A 92 4.176 -2.876 -5.191 1.00 0.00 N ATOM 1273 CA ARG A 92 5.415 -2.114 -5.098 1.00 0.00 C ATOM 1274 C ARG A 92 5.266 -0.749 -5.763 1.00 0.00 C ATOM 1275 O ARG A 92 5.011 -0.656 -6.964 1.00 0.00 O ATOM 1276 CB ARG A 92 6.564 -2.887 -5.748 1.00 0.00 C ATOM 1277 CG ARG A 92 6.975 -4.130 -4.976 1.00 0.00 C ATOM 1278 CD ARG A 92 8.081 -4.890 -5.692 1.00 0.00 C ATOM 1279 NE ARG A 92 8.374 -6.167 -5.047 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.132 -6.287 -3.963 1.00 0.00 C ATOM 1281 NH1 ARG A 92 9.672 -5.212 -3.406 1.00 0.00 N ATOM 1282 NH2 ARG A 92 9.352 -7.484 -3.435 1.00 0.00 N ATOM 0 H ARG A 92 3.573 -2.606 -5.968 1.00 0.00 H new ATOM 0 HA ARG A 92 5.640 -1.962 -4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.271 -3.177 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.426 -2.227 -5.844 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.314 -3.846 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.111 -4.781 -4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.789 -5.066 -6.727 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.984 -4.280 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 92 7.974 -7.014 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.506 -4.290 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.254 -5.307 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 92 8.939 -8.313 -3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.934 -7.575 -2.603 1.00 0.00 H new ATOM 1296 N VAL A 93 5.425 0.309 -4.973 1.00 0.00 N ATOM 1297 CA VAL A 93 5.309 1.669 -5.485 1.00 0.00 C ATOM 1298 C VAL A 93 6.614 2.437 -5.307 1.00 0.00 C ATOM 1299 O VAL A 93 7.119 2.577 -4.193 1.00 0.00 O ATOM 1300 CB VAL A 93 4.174 2.438 -4.782 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.271 2.273 -3.274 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.209 3.909 -5.169 1.00 0.00 C ATOM 0 H VAL A 93 5.634 0.250 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 93 5.080 1.589 -6.548 1.00 0.00 H new ATOM 0 HB VAL A 93 3.221 2.022 -5.108 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.461 2.823 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.193 1.216 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.228 2.661 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.401 4.438 -4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.165 4.340 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.086 4.004 -6.248 1.00 0.00 H new ATOM 1312 N THR A 94 7.157 2.934 -6.414 1.00 0.00 N ATOM 1313 CA THR A 94 8.404 3.688 -6.381 1.00 0.00 C ATOM 1314 C THR A 94 8.140 5.183 -6.244 1.00 0.00 C ATOM 1315 O THR A 94 7.710 5.838 -7.193 1.00 0.00 O ATOM 1316 CB THR A 94 9.243 3.441 -7.650 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.544 2.046 -7.774 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.536 4.242 -7.608 1.00 0.00 C ATOM 0 H THR A 94 6.753 2.828 -7.344 1.00 0.00 H new ATOM 0 HA THR A 94 8.961 3.339 -5.511 1.00 0.00 H new ATOM 0 HB THR A 94 8.661 3.765 -8.513 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.076 1.897 -8.584 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.112 4.052 -8.514 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.304 5.305 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.120 3.944 -6.738 1.00 0.00 H new ATOM 1326 N THR A 95 8.401 5.718 -5.055 1.00 0.00 N ATOM 1327 CA THR A 95 8.191 7.136 -4.793 1.00 0.00 C ATOM 1328 C THR A 95 8.981 7.999 -5.770 1.00 0.00 C ATOM 1329 O THR A 95 10.071 7.624 -6.205 1.00 0.00 O ATOM 1330 CB THR A 95 8.596 7.508 -3.354 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.799 6.822 -2.991 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.489 7.154 -2.372 1.00 0.00 C ATOM 0 H THR A 95 8.758 5.190 -4.259 1.00 0.00 H new ATOM 0 HA THR A 95 7.126 7.326 -4.924 1.00 0.00 H new ATOM 0 HB THR A 95 8.765 8.584 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.959 6.928 -2.030 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.798 7.426 -1.362 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.582 7.700 -2.634 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.293 6.083 -2.415 1.00 0.00 H new ATOM 1340 N LYS A 96 8.427 9.157 -6.112 1.00 0.00 N ATOM 1341 CA LYS A 96 9.081 10.075 -7.036 1.00 0.00 C ATOM 1342 C LYS A 96 10.338 10.673 -6.412 1.00 0.00 C ATOM 1343 O LYS A 96 10.552 10.571 -5.204 1.00 0.00 O ATOM 1344 CB LYS A 96 8.119 11.194 -7.442 1.00 0.00 C ATOM 1345 CG LYS A 96 6.774 10.690 -7.937 1.00 0.00 C ATOM 1346 CD LYS A 96 6.156 11.647 -8.943 1.00 0.00 C ATOM 1347 CE LYS A 96 5.166 10.936 -9.853 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.524 11.874 -10.815 1.00 0.00 N ATOM 0 H LYS A 96 7.526 9.482 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 96 9.370 9.512 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.959 11.852 -6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.583 11.795 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.898 9.709 -8.396 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.098 10.563 -7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.651 12.455 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.943 12.102 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.680 10.147 -10.403 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.398 10.454 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.856 11.351 -11.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.012 12.612 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.254 12.315 -11.410 1.00 0.00 H new ATOM 1362 N LYS A 97 11.166 11.298 -7.242 1.00 0.00 N ATOM 1363 CA LYS A 97 12.400 11.915 -6.772 1.00 0.00 C ATOM 1364 C LYS A 97 12.113 13.233 -6.061 1.00 0.00 C ATOM 1365 O LYS A 97 11.348 14.062 -6.554 1.00 0.00 O ATOM 1366 CB LYS A 97 13.354 12.153 -7.945 1.00 0.00 C ATOM 1367 CG LYS A 97 14.221 10.951 -8.277 1.00 0.00 C ATOM 1368 CD LYS A 97 14.814 11.061 -9.672 1.00 0.00 C ATOM 1369 CE LYS A 97 13.790 10.716 -10.742 1.00 0.00 C ATOM 1370 NZ LYS A 97 14.384 10.743 -12.108 1.00 0.00 N ATOM 0 H LYS A 97 11.004 11.391 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 97 12.870 11.234 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.773 12.425 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.997 13.002 -7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.024 10.867 -7.545 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.626 10.041 -8.204 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.183 12.074 -9.833 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.671 10.393 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.378 9.726 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.961 11.422 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.654 10.502 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.755 11.694 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.159 10.051 -12.164 1.00 0.00 H new ATOM 1384 N ALA A 98 12.732 13.421 -4.900 1.00 0.00 N ATOM 1385 CA ALA A 98 12.545 14.640 -4.123 1.00 0.00 C ATOM 1386 C ALA A 98 13.313 15.806 -4.738 1.00 0.00 C ATOM 1387 O ALA A 98 14.410 15.645 -5.272 1.00 0.00 O ATOM 1388 CB ALA A 98 12.981 14.420 -2.682 1.00 0.00 C ATOM 0 H ALA A 98 13.367 12.744 -4.477 1.00 0.00 H new ATOM 0 HA ALA A 98 11.484 14.890 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.836 15.339 -2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.385 13.622 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.035 14.142 -2.659 1.00 0.00 H new ATOM 1394 N PRO A 99 12.724 17.009 -4.661 1.00 0.00 N ATOM 1395 CA PRO A 99 13.336 18.225 -5.205 1.00 0.00 C ATOM 1396 C PRO A 99 14.560 18.664 -4.409 1.00 0.00 C ATOM 1397 O PRO A 99 14.536 18.687 -3.178 1.00 0.00 O ATOM 1398 CB PRO A 99 12.220 19.266 -5.088 1.00 0.00 C ATOM 1399 CG PRO A 99 11.360 18.776 -3.975 1.00 0.00 C ATOM 1400 CD PRO A 99 11.417 17.275 -4.038 1.00 0.00 C ATOM 0 HA PRO A 99 13.697 18.079 -6.223 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.623 20.255 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.656 19.348 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.721 19.140 -3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.336 19.133 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.346 16.828 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.599 16.866 -4.631 1.00 0.00 H new ATOM 1408 N SER A 100 15.628 19.013 -5.119 1.00 0.00 N ATOM 1409 CA SER A 100 16.863 19.449 -4.477 1.00 0.00 C ATOM 1410 C SER A 100 16.583 20.527 -3.435 1.00 0.00 C ATOM 1411 O SER A 100 15.634 21.303 -3.547 1.00 0.00 O ATOM 1412 CB SER A 100 17.847 19.978 -5.523 1.00 0.00 C ATOM 1413 OG SER A 100 18.449 18.915 -6.241 1.00 0.00 O ATOM 0 H SER A 100 15.663 19.002 -6.138 1.00 0.00 H new ATOM 0 HA SER A 100 17.305 18.589 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.326 20.639 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.618 20.573 -5.033 1.00 0.00 H new ATOM 0 HG SER A 100 19.072 19.280 -6.904 1.00 0.00 H new ATOM 1419 N PRO A 101 17.428 20.576 -2.394 1.00 0.00 N ATOM 1420 CA PRO A 101 17.293 21.555 -1.311 1.00 0.00 C ATOM 1421 C PRO A 101 17.617 22.973 -1.767 1.00 0.00 C ATOM 1422 O PRO A 101 18.781 23.368 -1.821 1.00 0.00 O ATOM 1423 CB PRO A 101 18.315 21.080 -0.275 1.00 0.00 C ATOM 1424 CG PRO A 101 19.330 20.326 -1.063 1.00 0.00 C ATOM 1425 CD PRO A 101 18.581 19.682 -2.196 1.00 0.00 C ATOM 0 HA PRO A 101 16.272 21.605 -0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 101 18.767 21.921 0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 101 17.849 20.446 0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 101 20.107 20.993 -1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 101 19.824 19.576 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 101 19.194 19.612 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 101 18.266 18.669 -1.945 1.00 0.00 H new ATOM 1433 N SER A 102 16.578 23.736 -2.095 1.00 0.00 N ATOM 1434 CA SER A 102 16.753 25.110 -2.550 1.00 0.00 C ATOM 1435 C SER A 102 15.531 25.956 -2.205 1.00 0.00 C ATOM 1436 O SER A 102 14.415 25.657 -2.629 1.00 0.00 O ATOM 1437 CB SER A 102 17.000 25.143 -4.060 1.00 0.00 C ATOM 1438 OG SER A 102 18.262 24.585 -4.382 1.00 0.00 O ATOM 0 H SER A 102 15.607 23.426 -2.054 1.00 0.00 H new ATOM 0 HA SER A 102 17.620 25.528 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 102 16.213 24.590 -4.573 1.00 0.00 H new ATOM 0 HB3 SER A 102 16.952 26.172 -4.417 1.00 0.00 H new ATOM 0 HG SER A 102 18.682 24.236 -3.569 1.00 0.00 H new ATOM 1444 N SER A 103 15.751 27.014 -1.431 1.00 0.00 N ATOM 1445 CA SER A 103 14.668 27.902 -1.025 1.00 0.00 C ATOM 1446 C SER A 103 13.996 28.531 -2.241 1.00 0.00 C ATOM 1447 O SER A 103 14.622 28.717 -3.284 1.00 0.00 O ATOM 1448 CB SER A 103 15.200 28.998 -0.099 1.00 0.00 C ATOM 1449 OG SER A 103 15.953 29.956 -0.822 1.00 0.00 O ATOM 0 H SER A 103 16.669 27.277 -1.073 1.00 0.00 H new ATOM 0 HA SER A 103 13.927 27.309 -0.488 1.00 0.00 H new ATOM 0 HB2 SER A 103 14.367 29.490 0.404 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.822 28.552 0.677 1.00 0.00 H new ATOM 0 HG SER A 103 16.280 30.646 -0.208 1.00 0.00 H new ATOM 1455 N GLY A 104 12.714 28.857 -2.099 1.00 0.00 N ATOM 1456 CA GLY A 104 11.977 29.461 -3.193 1.00 0.00 C ATOM 1457 C GLY A 104 11.157 30.656 -2.750 1.00 0.00 C ATOM 1458 O GLY A 104 10.218 30.535 -1.963 1.00 0.00 O ATOM 0 H GLY A 104 12.174 28.713 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.676 29.772 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.317 28.716 -3.637 1.00 0.00 H new ATOM 1462 N PRO A 105 11.514 31.845 -3.258 1.00 0.00 N ATOM 1463 CA PRO A 105 10.819 33.091 -2.923 1.00 0.00 C ATOM 1464 C PRO A 105 9.415 33.149 -3.515 1.00 0.00 C ATOM 1465 O PRO A 105 9.224 33.612 -4.640 1.00 0.00 O ATOM 1466 CB PRO A 105 11.706 34.172 -3.545 1.00 0.00 C ATOM 1467 CG PRO A 105 12.419 33.482 -4.657 1.00 0.00 C ATOM 1468 CD PRO A 105 12.624 32.064 -4.201 1.00 0.00 C ATOM 0 HA PRO A 105 10.679 33.202 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.112 35.008 -3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.408 34.577 -2.816 1.00 0.00 H new ATOM 0 HG2 PRO A 105 11.834 33.516 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 105 13.373 33.966 -4.869 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.586 31.364 -5.036 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.593 31.933 -3.719 1.00 0.00 H new ATOM 1476 N SER A 106 8.435 32.676 -2.752 1.00 0.00 N ATOM 1477 CA SER A 106 7.048 32.671 -3.203 1.00 0.00 C ATOM 1478 C SER A 106 6.517 34.095 -3.340 1.00 0.00 C ATOM 1479 O SER A 106 7.090 35.038 -2.796 1.00 0.00 O ATOM 1480 CB SER A 106 6.175 31.881 -2.227 1.00 0.00 C ATOM 1481 OG SER A 106 6.650 30.554 -2.077 1.00 0.00 O ATOM 0 H SER A 106 8.576 32.291 -1.818 1.00 0.00 H new ATOM 0 HA SER A 106 7.011 32.192 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.166 32.379 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.146 31.864 -2.586 1.00 0.00 H new ATOM 0 HG SER A 106 6.076 30.070 -1.447 1.00 0.00 H new ATOM 1487 N SER A 107 5.417 34.241 -4.073 1.00 0.00 N ATOM 1488 CA SER A 107 4.809 35.549 -4.286 1.00 0.00 C ATOM 1489 C SER A 107 3.616 35.751 -3.358 1.00 0.00 C ATOM 1490 O SER A 107 3.135 34.807 -2.731 1.00 0.00 O ATOM 1491 CB SER A 107 4.367 35.698 -5.743 1.00 0.00 C ATOM 1492 OG SER A 107 3.954 37.025 -6.018 1.00 0.00 O ATOM 0 H SER A 107 4.929 33.470 -4.529 1.00 0.00 H new ATOM 0 HA SER A 107 5.556 36.310 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.189 35.425 -6.405 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.548 35.009 -5.950 1.00 0.00 H new ATOM 0 HG SER A 107 3.678 37.094 -6.956 1.00 0.00 H new ATOM 1498 N GLY A 108 3.141 36.991 -3.275 1.00 0.00 N ATOM 1499 CA GLY A 108 2.008 37.296 -2.421 1.00 0.00 C ATOM 1500 C GLY A 108 2.419 37.993 -1.140 1.00 0.00 C ATOM 1501 O GLY A 108 1.921 37.669 -0.062 1.00 0.00 O ATOM 0 H GLY A 108 3.521 37.789 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.306 37.928 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.483 36.373 -2.176 1.00 0.00 H new TER 1505 GLY A 108