USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 668 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 11 MET CE :methyl -152:sc= -0.225 (180deg=-0.998) USER MOD Set 1.2: A 45 GLN : amide:sc= 0 X(o=-0.22,f=-0.32) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0545 (180deg=0) USER MOD Single : A 2 SER OG : rot -67:sc= 1.09 USER MOD Single : A 3 SER OG : rot -130:sc=-0.00154 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 9 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.3) USER MOD Single : A 13 SER OG : rot -52:sc= 1.2 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 140:sc= -1.8 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0184 USER MOD Single : A 39 THR OG1 : rot -97:sc= 0.284 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.839 K(o=-0.84,f=-2) USER MOD Single : A 61 SER OG : rot -37:sc= 0.489 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.961 K(o=-0.96,f=-1.8!) USER MOD Single : A 79 SER OG : rot -18:sc= 0.731 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 141:sc= -1.15 (180deg=-2.95!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 145:sc= 1.17 (180deg=0.335) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.414 -22.681 10.962 1.00 0.00 N ATOM 2 CA GLY A 1 11.321 -22.371 11.924 1.00 0.00 C ATOM 3 C GLY A 1 11.276 -20.903 12.299 1.00 0.00 C ATOM 4 O GLY A 1 12.256 -20.181 12.120 1.00 0.00 O ATOM 0 H1 GLY A 1 12.003 -22.963 10.049 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.008 -21.838 10.829 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.995 -23.459 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.365 -22.661 11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.455 -22.969 12.826 1.00 0.00 H new ATOM 10 N SER A 2 10.136 -20.462 12.821 1.00 0.00 N ATOM 11 CA SER A 2 9.966 -19.070 13.223 1.00 0.00 C ATOM 12 C SER A 2 10.192 -18.131 12.043 1.00 0.00 C ATOM 13 O SER A 2 10.413 -18.574 10.916 1.00 0.00 O ATOM 14 CB SER A 2 10.931 -18.723 14.359 1.00 0.00 C ATOM 15 OG SER A 2 12.218 -18.408 13.859 1.00 0.00 O ATOM 0 H SER A 2 9.316 -21.048 12.976 1.00 0.00 H new ATOM 0 HA SER A 2 8.942 -18.942 13.574 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.541 -17.877 14.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.002 -19.564 15.049 1.00 0.00 H new ATOM 0 HG SER A 2 12.623 -19.211 13.470 1.00 0.00 H new ATOM 21 N SER A 3 10.134 -16.830 12.310 1.00 0.00 N ATOM 22 CA SER A 3 10.333 -15.827 11.270 1.00 0.00 C ATOM 23 C SER A 3 11.818 -15.547 11.061 1.00 0.00 C ATOM 24 O SER A 3 12.327 -15.644 9.944 1.00 0.00 O ATOM 25 CB SER A 3 9.604 -14.532 11.635 1.00 0.00 C ATOM 26 OG SER A 3 8.298 -14.510 11.085 1.00 0.00 O ATOM 0 H SER A 3 9.951 -16.446 13.237 1.00 0.00 H new ATOM 0 HA SER A 3 9.921 -16.218 10.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.547 -14.436 12.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.171 -13.676 11.269 1.00 0.00 H new ATOM 0 HG SER A 3 8.156 -13.662 10.614 1.00 0.00 H new ATOM 32 N GLY A 4 12.506 -15.198 12.143 1.00 0.00 N ATOM 33 CA GLY A 4 13.926 -14.909 12.055 1.00 0.00 C ATOM 34 C GLY A 4 14.413 -14.042 13.199 1.00 0.00 C ATOM 35 O GLY A 4 15.290 -14.445 13.963 1.00 0.00 O ATOM 0 H GLY A 4 12.107 -15.110 13.078 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.484 -15.845 12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.134 -14.408 11.110 1.00 0.00 H new ATOM 39 N SER A 5 13.842 -12.847 13.319 1.00 0.00 N ATOM 40 CA SER A 5 14.222 -11.921 14.378 1.00 0.00 C ATOM 41 C SER A 5 13.057 -11.679 15.333 1.00 0.00 C ATOM 42 O SER A 5 13.165 -11.924 16.535 1.00 0.00 O ATOM 43 CB SER A 5 14.690 -10.593 13.780 1.00 0.00 C ATOM 44 OG SER A 5 14.952 -9.639 14.794 1.00 0.00 O ATOM 0 H SER A 5 13.114 -12.498 12.695 1.00 0.00 H new ATOM 0 HA SER A 5 15.042 -12.368 14.940 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.591 -10.755 13.188 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.928 -10.208 13.102 1.00 0.00 H new ATOM 0 HG SER A 5 15.251 -8.800 14.385 1.00 0.00 H new ATOM 50 N SER A 6 11.945 -11.194 14.791 1.00 0.00 N ATOM 51 CA SER A 6 10.760 -10.919 15.595 1.00 0.00 C ATOM 52 C SER A 6 9.506 -11.467 14.922 1.00 0.00 C ATOM 53 O SER A 6 8.803 -12.306 15.485 1.00 0.00 O ATOM 54 CB SER A 6 10.613 -9.413 15.825 1.00 0.00 C ATOM 55 OG SER A 6 9.505 -9.131 16.662 1.00 0.00 O ATOM 0 H SER A 6 11.840 -10.983 13.799 1.00 0.00 H new ATOM 0 HA SER A 6 10.881 -11.417 16.557 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.524 -9.020 16.277 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.488 -8.906 14.868 1.00 0.00 H new ATOM 0 HG SER A 6 9.434 -8.163 16.795 1.00 0.00 H new ATOM 61 N GLY A 7 9.231 -10.986 13.713 1.00 0.00 N ATOM 62 CA GLY A 7 8.061 -11.440 12.983 1.00 0.00 C ATOM 63 C GLY A 7 7.466 -10.353 12.110 1.00 0.00 C ATOM 64 O GLY A 7 8.185 -9.664 11.388 1.00 0.00 O ATOM 0 H GLY A 7 9.797 -10.291 13.226 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.333 -12.293 12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.308 -11.788 13.690 1.00 0.00 H new ATOM 68 N GLY A 8 6.146 -10.202 12.176 1.00 0.00 N ATOM 69 CA GLY A 8 5.476 -9.190 11.381 1.00 0.00 C ATOM 70 C GLY A 8 5.008 -9.723 10.041 1.00 0.00 C ATOM 71 O GLY A 8 4.208 -10.655 9.981 1.00 0.00 O ATOM 0 H GLY A 8 5.530 -10.762 12.765 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.620 -8.805 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.154 -8.352 11.219 1.00 0.00 H new ATOM 75 N ASN A 9 5.509 -9.128 8.962 1.00 0.00 N ATOM 76 CA ASN A 9 5.138 -9.547 7.616 1.00 0.00 C ATOM 77 C ASN A 9 6.305 -10.243 6.923 1.00 0.00 C ATOM 78 O ASN A 9 7.455 -10.113 7.342 1.00 0.00 O ATOM 79 CB ASN A 9 4.683 -8.343 6.790 1.00 0.00 C ATOM 80 CG ASN A 9 3.221 -8.010 7.013 1.00 0.00 C ATOM 81 OD1 ASN A 9 2.838 -7.520 8.075 1.00 0.00 O ATOM 82 ND2 ASN A 9 2.394 -8.274 6.008 1.00 0.00 N ATOM 0 H ASN A 9 6.173 -8.354 8.995 1.00 0.00 H new ATOM 0 HA ASN A 9 4.312 -10.254 7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.294 -7.477 7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.849 -8.547 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.399 -8.070 6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 9 2.754 -8.681 5.145 1.00 0.00 H new ATOM 89 N LEU A 10 6.001 -10.980 5.860 1.00 0.00 N ATOM 90 CA LEU A 10 7.026 -11.696 5.108 1.00 0.00 C ATOM 91 C LEU A 10 7.575 -10.834 3.977 1.00 0.00 C ATOM 92 O LEU A 10 8.776 -10.835 3.707 1.00 0.00 O ATOM 93 CB LEU A 10 6.457 -12.999 4.542 1.00 0.00 C ATOM 94 CG LEU A 10 7.461 -14.146 4.424 1.00 0.00 C ATOM 95 CD1 LEU A 10 7.717 -14.774 5.785 1.00 0.00 C ATOM 96 CD2 LEU A 10 6.960 -15.192 3.438 1.00 0.00 C ATOM 0 H LEU A 10 5.054 -11.097 5.500 1.00 0.00 H new ATOM 0 HA LEU A 10 7.843 -11.930 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.631 -13.323 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.041 -12.797 3.555 1.00 0.00 H new ATOM 0 HG LEU A 10 8.402 -13.743 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.434 -15.588 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.119 -14.021 6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.782 -15.163 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.686 -16.001 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.006 -15.590 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.828 -14.734 2.458 1.00 0.00 H new ATOM 108 N MET A 11 6.686 -10.097 3.317 1.00 0.00 N ATOM 109 CA MET A 11 7.082 -9.229 2.213 1.00 0.00 C ATOM 110 C MET A 11 7.774 -7.971 2.731 1.00 0.00 C ATOM 111 O MET A 11 8.827 -7.579 2.229 1.00 0.00 O ATOM 112 CB MET A 11 5.860 -8.850 1.373 1.00 0.00 C ATOM 113 CG MET A 11 5.929 -9.352 -0.060 1.00 0.00 C ATOM 114 SD MET A 11 7.026 -8.360 -1.091 1.00 0.00 S ATOM 115 CE MET A 11 7.811 -9.635 -2.074 1.00 0.00 C ATOM 0 H MET A 11 5.688 -10.084 3.527 1.00 0.00 H new ATOM 0 HA MET A 11 7.788 -9.775 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.964 -9.251 1.847 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.757 -7.765 1.365 1.00 0.00 H new ATOM 0 HG2 MET A 11 6.272 -10.387 -0.062 1.00 0.00 H new ATOM 0 HG3 MET A 11 4.928 -9.347 -0.491 1.00 0.00 H new ATOM 0 HE1 MET A 11 8.804 -9.302 -2.375 1.00 0.00 H new ATOM 0 HE2 MET A 11 7.897 -10.548 -1.484 1.00 0.00 H new ATOM 0 HE3 MET A 11 7.210 -9.832 -2.962 1.00 0.00 H new ATOM 125 N LEU A 12 7.174 -7.342 3.736 1.00 0.00 N ATOM 126 CA LEU A 12 7.733 -6.129 4.321 1.00 0.00 C ATOM 127 C LEU A 12 9.113 -6.395 4.912 1.00 0.00 C ATOM 128 O LEU A 12 9.975 -5.516 4.921 1.00 0.00 O ATOM 129 CB LEU A 12 6.798 -5.582 5.402 1.00 0.00 C ATOM 130 CG LEU A 12 5.428 -5.122 4.904 1.00 0.00 C ATOM 131 CD1 LEU A 12 4.502 -4.839 6.076 1.00 0.00 C ATOM 132 CD2 LEU A 12 5.568 -3.888 4.024 1.00 0.00 C ATOM 0 H LEU A 12 6.301 -7.652 4.162 1.00 0.00 H new ATOM 0 HA LEU A 12 7.835 -5.387 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.652 -6.353 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.289 -4.742 5.894 1.00 0.00 H new ATOM 0 HG LEU A 12 4.992 -5.923 4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.531 -4.513 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.377 -5.746 6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.933 -4.055 6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.583 -3.574 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.025 -3.082 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.196 -4.123 3.165 1.00 0.00 H new ATOM 144 N SER A 13 9.315 -7.611 5.407 1.00 0.00 N ATOM 145 CA SER A 13 10.591 -7.994 6.002 1.00 0.00 C ATOM 146 C SER A 13 11.726 -7.864 4.991 1.00 0.00 C ATOM 147 O SER A 13 12.867 -7.583 5.358 1.00 0.00 O ATOM 148 CB SER A 13 10.523 -9.429 6.526 1.00 0.00 C ATOM 149 OG SER A 13 10.488 -10.361 5.459 1.00 0.00 O ATOM 0 H SER A 13 8.611 -8.349 5.408 1.00 0.00 H new ATOM 0 HA SER A 13 10.791 -7.319 6.834 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.387 -9.629 7.160 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.636 -9.551 7.148 1.00 0.00 H new ATOM 0 HG SER A 13 9.777 -10.114 4.832 1.00 0.00 H new ATOM 155 N ALA A 14 11.407 -8.069 3.718 1.00 0.00 N ATOM 156 CA ALA A 14 12.401 -7.975 2.656 1.00 0.00 C ATOM 157 C ALA A 14 12.559 -6.537 2.176 1.00 0.00 C ATOM 158 O ALA A 14 13.669 -6.085 1.891 1.00 0.00 O ATOM 159 CB ALA A 14 12.021 -8.882 1.496 1.00 0.00 C ATOM 0 H ALA A 14 10.467 -8.301 3.397 1.00 0.00 H new ATOM 0 HA ALA A 14 13.359 -8.302 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 14 12.772 -8.802 0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.968 -9.914 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.050 -8.581 1.102 1.00 0.00 H new ATOM 165 N LEU A 15 11.443 -5.821 2.088 1.00 0.00 N ATOM 166 CA LEU A 15 11.459 -4.433 1.643 1.00 0.00 C ATOM 167 C LEU A 15 12.107 -3.532 2.689 1.00 0.00 C ATOM 168 O LEU A 15 12.721 -2.517 2.355 1.00 0.00 O ATOM 169 CB LEU A 15 10.036 -3.953 1.351 1.00 0.00 C ATOM 170 CG LEU A 15 9.358 -4.623 0.156 1.00 0.00 C ATOM 171 CD1 LEU A 15 7.857 -4.720 0.380 1.00 0.00 C ATOM 172 CD2 LEU A 15 9.659 -3.859 -1.124 1.00 0.00 C ATOM 0 H LEU A 15 10.516 -6.179 2.319 1.00 0.00 H new ATOM 0 HA LEU A 15 12.049 -4.379 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.424 -4.120 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.060 -2.877 1.179 1.00 0.00 H new ATOM 0 HG LEU A 15 9.756 -5.633 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.391 -5.200 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.660 -5.310 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.443 -3.720 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.169 -4.350 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.289 -2.838 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.736 -3.841 -1.292 1.00 0.00 H new ATOM 184 N GLY A 16 11.966 -3.907 3.956 1.00 0.00 N ATOM 185 CA GLY A 16 12.543 -3.121 5.031 1.00 0.00 C ATOM 186 C GLY A 16 11.639 -1.985 5.467 1.00 0.00 C ATOM 187 O GLY A 16 12.113 -0.959 5.956 1.00 0.00 O ATOM 0 H GLY A 16 11.462 -4.741 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.744 -3.769 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.501 -2.715 4.707 1.00 0.00 H new ATOM 191 N LEU A 17 10.335 -2.167 5.289 1.00 0.00 N ATOM 192 CA LEU A 17 9.362 -1.149 5.668 1.00 0.00 C ATOM 193 C LEU A 17 8.332 -1.715 6.641 1.00 0.00 C ATOM 194 O LEU A 17 8.209 -2.929 6.793 1.00 0.00 O ATOM 195 CB LEU A 17 8.658 -0.599 4.425 1.00 0.00 C ATOM 196 CG LEU A 17 8.312 0.890 4.480 1.00 0.00 C ATOM 197 CD1 LEU A 17 9.484 1.727 3.990 1.00 0.00 C ATOM 198 CD2 LEU A 17 7.066 1.178 3.655 1.00 0.00 C ATOM 0 H LEU A 17 9.927 -3.010 4.885 1.00 0.00 H new ATOM 0 HA LEU A 17 9.896 -0.339 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.294 -0.776 3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.739 -1.164 4.267 1.00 0.00 H new ATOM 0 HG LEU A 17 8.107 1.159 5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.221 2.784 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.353 1.542 4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.720 1.456 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.834 2.242 3.705 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.243 0.894 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.227 0.605 4.050 1.00 0.00 H new ATOM 210 N ARG A 18 7.593 -0.825 7.297 1.00 0.00 N ATOM 211 CA ARG A 18 6.573 -1.234 8.255 1.00 0.00 C ATOM 212 C ARG A 18 5.222 -0.620 7.902 1.00 0.00 C ATOM 213 O ARG A 18 5.154 0.480 7.351 1.00 0.00 O ATOM 214 CB ARG A 18 6.982 -0.824 9.672 1.00 0.00 C ATOM 215 CG ARG A 18 7.509 -1.978 10.510 1.00 0.00 C ATOM 216 CD ARG A 18 8.894 -2.410 10.055 1.00 0.00 C ATOM 217 NE ARG A 18 9.158 -3.813 10.361 1.00 0.00 N ATOM 218 CZ ARG A 18 10.297 -4.436 10.064 1.00 0.00 C ATOM 219 NH1 ARG A 18 11.278 -3.784 9.454 1.00 0.00 N ATOM 220 NH2 ARG A 18 10.454 -5.715 10.378 1.00 0.00 N ATOM 0 H ARG A 18 7.682 0.185 7.182 1.00 0.00 H new ATOM 0 HA ARG A 18 6.480 -2.319 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.748 -0.051 9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.122 -0.382 10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.545 -1.681 11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.823 -2.822 10.441 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.989 -2.249 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.645 -1.786 10.539 1.00 0.00 H new ATOM 0 HE ARG A 18 8.427 -4.348 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.162 -2.800 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.148 -4.266 9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.703 -6.221 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.326 -6.193 10.151 1.00 0.00 H new ATOM 234 N LEU A 19 4.149 -1.336 8.221 1.00 0.00 N ATOM 235 CA LEU A 19 2.799 -0.862 7.938 1.00 0.00 C ATOM 236 C LEU A 19 2.541 0.481 8.613 1.00 0.00 C ATOM 237 O LEU A 19 3.128 0.789 9.650 1.00 0.00 O ATOM 238 CB LEU A 19 1.766 -1.887 8.407 1.00 0.00 C ATOM 239 CG LEU A 19 1.950 -3.298 7.844 1.00 0.00 C ATOM 240 CD1 LEU A 19 1.414 -4.336 8.818 1.00 0.00 C ATOM 241 CD2 LEU A 19 1.260 -3.425 6.494 1.00 0.00 C ATOM 0 H LEU A 19 4.188 -2.248 8.676 1.00 0.00 H new ATOM 0 HA LEU A 19 2.707 -0.731 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.798 -1.940 9.495 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.773 -1.530 8.134 1.00 0.00 H new ATOM 0 HG LEU A 19 3.016 -3.478 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.554 -5.333 8.400 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.952 -4.260 9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.352 -4.160 8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.400 -4.434 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.195 -3.226 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.690 -2.706 5.797 1.00 0.00 H new ATOM 253 N GLY A 20 1.661 1.278 8.017 1.00 0.00 N ATOM 254 CA GLY A 20 1.341 2.580 8.574 1.00 0.00 C ATOM 255 C GLY A 20 2.068 3.707 7.868 1.00 0.00 C ATOM 256 O GLY A 20 1.577 4.835 7.816 1.00 0.00 O ATOM 0 H GLY A 20 1.163 1.046 7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.266 2.747 8.506 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.599 2.592 9.633 1.00 0.00 H new ATOM 260 N ASP A 21 3.240 3.401 7.322 1.00 0.00 N ATOM 261 CA ASP A 21 4.037 4.398 6.615 1.00 0.00 C ATOM 262 C ASP A 21 3.488 4.637 5.212 1.00 0.00 C ATOM 263 O ASP A 21 2.613 3.909 4.745 1.00 0.00 O ATOM 264 CB ASP A 21 5.497 3.950 6.535 1.00 0.00 C ATOM 265 CG ASP A 21 6.467 5.096 6.747 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.403 5.737 7.818 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.289 5.354 5.843 1.00 0.00 O ATOM 0 H ASP A 21 3.659 2.472 7.355 1.00 0.00 H new ATOM 0 HA ASP A 21 3.982 5.334 7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.679 3.180 7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.682 3.497 5.561 1.00 0.00 H new ATOM 272 N ARG A 22 4.009 5.661 4.545 1.00 0.00 N ATOM 273 CA ARG A 22 3.571 5.996 3.195 1.00 0.00 C ATOM 274 C ARG A 22 4.444 5.305 2.153 1.00 0.00 C ATOM 275 O ARG A 22 5.559 4.876 2.448 1.00 0.00 O ATOM 276 CB ARG A 22 3.610 7.512 2.985 1.00 0.00 C ATOM 277 CG ARG A 22 2.469 8.249 3.668 1.00 0.00 C ATOM 278 CD ARG A 22 2.981 9.345 4.590 1.00 0.00 C ATOM 279 NE ARG A 22 3.087 10.631 3.906 1.00 0.00 N ATOM 280 CZ ARG A 22 2.049 11.428 3.661 1.00 0.00 C ATOM 281 NH1 ARG A 22 0.828 11.074 4.042 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.233 12.580 3.033 1.00 0.00 N ATOM 0 H ARG A 22 4.735 6.273 4.917 1.00 0.00 H new ATOM 0 HA ARG A 22 2.546 5.645 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.558 7.898 3.360 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.580 7.724 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.813 8.684 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.870 7.541 4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.311 9.443 5.444 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.958 9.062 4.982 1.00 0.00 H new ATOM 0 HE ARG A 22 4.010 10.936 3.598 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.681 10.188 4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.036 11.688 3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.169 12.856 2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.438 13.191 2.845 1.00 0.00 H new ATOM 296 N VAL A 23 3.927 5.198 0.932 1.00 0.00 N ATOM 297 CA VAL A 23 4.659 4.557 -0.153 1.00 0.00 C ATOM 298 C VAL A 23 4.594 5.390 -1.428 1.00 0.00 C ATOM 299 O VAL A 23 3.726 6.250 -1.577 1.00 0.00 O ATOM 300 CB VAL A 23 4.111 3.148 -0.447 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.399 2.210 0.715 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.619 3.206 -0.739 1.00 0.00 C ATOM 0 H VAL A 23 3.005 5.547 0.671 1.00 0.00 H new ATOM 0 HA VAL A 23 5.696 4.475 0.173 1.00 0.00 H new ATOM 0 HB VAL A 23 4.616 2.758 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.005 1.219 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.476 2.145 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.923 2.593 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.249 2.201 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.095 3.616 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.442 3.842 -1.606 1.00 0.00 H new ATOM 312 N LEU A 24 5.519 5.129 -2.347 1.00 0.00 N ATOM 313 CA LEU A 24 5.567 5.855 -3.611 1.00 0.00 C ATOM 314 C LEU A 24 4.846 5.079 -4.710 1.00 0.00 C ATOM 315 O LEU A 24 5.204 3.943 -5.018 1.00 0.00 O ATOM 316 CB LEU A 24 7.020 6.111 -4.019 1.00 0.00 C ATOM 317 CG LEU A 24 7.203 7.058 -5.206 1.00 0.00 C ATOM 318 CD1 LEU A 24 6.468 8.368 -4.963 1.00 0.00 C ATOM 319 CD2 LEU A 24 8.681 7.315 -5.459 1.00 0.00 C ATOM 0 H LEU A 24 6.245 4.420 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 24 5.061 6.811 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.555 6.520 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.487 5.156 -4.260 1.00 0.00 H new ATOM 0 HG LEU A 24 6.778 6.585 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.610 9.029 -5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.404 8.169 -4.830 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.862 8.846 -4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.793 7.991 -6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.129 7.767 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.182 6.372 -5.678 1.00 0.00 H new ATOM 331 N LEU A 25 3.829 5.702 -5.296 1.00 0.00 N ATOM 332 CA LEU A 25 3.055 5.070 -6.357 1.00 0.00 C ATOM 333 C LEU A 25 3.402 5.667 -7.718 1.00 0.00 C ATOM 334 O LEU A 25 3.114 6.833 -7.988 1.00 0.00 O ATOM 335 CB LEU A 25 1.559 5.228 -6.086 1.00 0.00 C ATOM 336 CG LEU A 25 1.127 4.933 -4.648 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.371 5.136 -4.488 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.520 3.516 -4.256 1.00 0.00 C ATOM 0 H LEU A 25 3.522 6.644 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 25 3.307 4.010 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.266 6.248 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.012 4.566 -6.757 1.00 0.00 H new ATOM 0 HG LEU A 25 1.639 5.629 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.659 4.921 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.626 6.168 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.903 4.464 -5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.206 3.322 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.035 2.806 -4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.602 3.404 -4.331 1.00 0.00 H new ATOM 350 N ASP A 26 4.018 4.856 -8.574 1.00 0.00 N ATOM 351 CA ASP A 26 4.402 5.299 -9.910 1.00 0.00 C ATOM 352 C ASP A 26 5.295 6.536 -9.850 1.00 0.00 C ATOM 353 O ASP A 26 5.366 7.308 -10.806 1.00 0.00 O ATOM 354 CB ASP A 26 3.156 5.600 -10.747 1.00 0.00 C ATOM 355 CG ASP A 26 2.594 4.359 -11.411 1.00 0.00 C ATOM 356 OD1 ASP A 26 2.616 3.283 -10.777 1.00 0.00 O ATOM 357 OD2 ASP A 26 2.130 4.464 -12.567 1.00 0.00 O ATOM 0 H ASP A 26 4.262 3.888 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 26 4.966 4.493 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.392 6.046 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.404 6.337 -11.511 1.00 0.00 H new ATOM 362 N GLY A 27 5.977 6.719 -8.722 1.00 0.00 N ATOM 363 CA GLY A 27 6.856 7.864 -8.565 1.00 0.00 C ATOM 364 C GLY A 27 6.154 9.181 -8.830 1.00 0.00 C ATOM 365 O GLY A 27 6.714 10.076 -9.462 1.00 0.00 O ATOM 0 H GLY A 27 5.936 6.096 -7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.261 7.870 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.701 7.764 -9.246 1.00 0.00 H new ATOM 369 N GLN A 28 4.921 9.300 -8.345 1.00 0.00 N ATOM 370 CA GLN A 28 4.141 10.517 -8.535 1.00 0.00 C ATOM 371 C GLN A 28 3.078 10.657 -7.449 1.00 0.00 C ATOM 372 O GLN A 28 2.939 11.715 -6.835 1.00 0.00 O ATOM 373 CB GLN A 28 3.482 10.515 -9.916 1.00 0.00 C ATOM 374 CG GLN A 28 3.587 11.845 -10.643 1.00 0.00 C ATOM 375 CD GLN A 28 2.440 12.780 -10.315 1.00 0.00 C ATOM 376 OE1 GLN A 28 2.296 13.230 -9.177 1.00 0.00 O ATOM 377 NE2 GLN A 28 1.615 13.079 -11.312 1.00 0.00 N ATOM 0 H GLN A 28 4.442 8.569 -7.819 1.00 0.00 H new ATOM 0 HA GLN A 28 4.818 11.368 -8.466 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.942 9.739 -10.528 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.430 10.252 -9.807 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.529 12.325 -10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.610 11.667 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.771 12.684 -12.239 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.825 13.704 -11.150 1.00 0.00 H new ATOM 386 N LYS A 29 2.330 9.583 -7.218 1.00 0.00 N ATOM 387 CA LYS A 29 1.280 9.586 -6.207 1.00 0.00 C ATOM 388 C LYS A 29 1.777 8.972 -4.903 1.00 0.00 C ATOM 389 O LYS A 29 2.539 8.005 -4.910 1.00 0.00 O ATOM 390 CB LYS A 29 0.055 8.819 -6.710 1.00 0.00 C ATOM 391 CG LYS A 29 -0.692 9.532 -7.826 1.00 0.00 C ATOM 392 CD LYS A 29 -0.087 9.225 -9.186 1.00 0.00 C ATOM 393 CE LYS A 29 -0.702 7.977 -9.801 1.00 0.00 C ATOM 394 NZ LYS A 29 -1.754 8.312 -10.801 1.00 0.00 N ATOM 0 H LYS A 29 2.432 8.700 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 29 0.999 10.622 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.371 7.838 -7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.627 8.652 -5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.739 9.229 -7.816 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.669 10.608 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.239 10.073 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.990 9.089 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.079 7.385 -10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.133 7.359 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.148 7.435 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.512 8.855 -10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.338 8.881 -11.566 1.00 0.00 H new ATOM 408 N THR A 30 1.342 9.541 -3.783 1.00 0.00 N ATOM 409 CA THR A 30 1.742 9.050 -2.469 1.00 0.00 C ATOM 410 C THR A 30 0.555 8.440 -1.731 1.00 0.00 C ATOM 411 O THR A 30 -0.532 9.017 -1.699 1.00 0.00 O ATOM 412 CB THR A 30 2.346 10.185 -1.640 1.00 0.00 C ATOM 413 OG1 THR A 30 1.622 11.387 -1.834 1.00 0.00 O ATOM 414 CG2 THR A 30 3.795 10.464 -1.972 1.00 0.00 C ATOM 0 H THR A 30 0.712 10.343 -3.759 1.00 0.00 H new ATOM 0 HA THR A 30 2.494 8.274 -2.612 1.00 0.00 H new ATOM 0 HB THR A 30 2.286 9.850 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.022 12.101 -1.294 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.161 11.280 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.390 9.570 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.880 10.744 -3.022 1.00 0.00 H new ATOM 422 N GLY A 31 0.771 7.271 -1.137 1.00 0.00 N ATOM 423 CA GLY A 31 -0.290 6.602 -0.407 1.00 0.00 C ATOM 424 C GLY A 31 0.165 6.107 0.953 1.00 0.00 C ATOM 425 O GLY A 31 1.288 6.380 1.376 1.00 0.00 O ATOM 0 H GLY A 31 1.662 6.775 -1.148 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.127 7.288 -0.279 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.655 5.759 -0.994 1.00 0.00 H new ATOM 429 N THR A 32 -0.709 5.376 1.637 1.00 0.00 N ATOM 430 CA THR A 32 -0.390 4.840 2.955 1.00 0.00 C ATOM 431 C THR A 32 -0.570 3.327 2.987 1.00 0.00 C ATOM 432 O THR A 32 -1.651 2.813 2.698 1.00 0.00 O ATOM 433 CB THR A 32 -1.274 5.493 4.020 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.510 6.855 3.710 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.677 5.434 5.410 1.00 0.00 C ATOM 0 H THR A 32 -1.643 5.141 1.301 1.00 0.00 H new ATOM 0 HA THR A 32 0.655 5.067 3.169 1.00 0.00 H new ATOM 0 HB THR A 32 -2.202 4.922 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.078 7.254 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.353 5.914 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.529 4.393 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.282 5.952 5.416 1.00 0.00 H new ATOM 443 N LEU A 33 0.496 2.616 3.340 1.00 0.00 N ATOM 444 CA LEU A 33 0.456 1.160 3.410 1.00 0.00 C ATOM 445 C LEU A 33 -0.437 0.696 4.557 1.00 0.00 C ATOM 446 O LEU A 33 -0.228 1.070 5.710 1.00 0.00 O ATOM 447 CB LEU A 33 1.868 0.597 3.587 1.00 0.00 C ATOM 448 CG LEU A 33 1.999 -0.909 3.353 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.651 -1.258 1.915 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.405 -1.378 3.693 1.00 0.00 C ATOM 0 H LEU A 33 1.399 3.025 3.582 1.00 0.00 H new ATOM 0 HA LEU A 33 0.039 0.787 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.538 1.115 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.209 0.823 4.597 1.00 0.00 H new ATOM 0 HG LEU A 33 1.296 -1.423 4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.750 -2.333 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.625 -0.956 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.328 -0.735 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.482 -2.452 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.125 -0.857 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.617 -1.162 4.740 1.00 0.00 H new ATOM 462 N ARG A 34 -1.433 -0.122 4.230 1.00 0.00 N ATOM 463 CA ARG A 34 -2.360 -0.637 5.232 1.00 0.00 C ATOM 464 C ARG A 34 -2.195 -2.144 5.402 1.00 0.00 C ATOM 465 O ARG A 34 -1.901 -2.627 6.495 1.00 0.00 O ATOM 466 CB ARG A 34 -3.802 -0.313 4.839 1.00 0.00 C ATOM 467 CG ARG A 34 -4.137 1.168 4.923 1.00 0.00 C ATOM 468 CD ARG A 34 -4.760 1.522 6.263 1.00 0.00 C ATOM 469 NE ARG A 34 -3.750 1.837 7.270 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.006 2.503 8.394 1.00 0.00 C ATOM 471 NH1 ARG A 34 -5.237 2.925 8.659 1.00 0.00 N ATOM 472 NH2 ARG A 34 -3.028 2.749 9.256 1.00 0.00 N ATOM 0 H ARG A 34 -1.619 -0.442 3.280 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.132 -0.154 6.182 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.979 -0.660 3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.480 -0.868 5.487 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.231 1.756 4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.824 1.433 4.120 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.426 2.375 6.139 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.371 0.689 6.610 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.792 1.529 7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.993 2.739 8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.427 3.435 9.522 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.080 2.428 9.057 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.224 3.259 10.117 1.00 0.00 H new ATOM 486 N PHE A 35 -2.387 -2.881 4.312 1.00 0.00 N ATOM 487 CA PHE A 35 -2.260 -4.334 4.339 1.00 0.00 C ATOM 488 C PHE A 35 -1.126 -4.798 3.431 1.00 0.00 C ATOM 489 O PHE A 35 -0.713 -4.080 2.520 1.00 0.00 O ATOM 490 CB PHE A 35 -3.574 -4.989 3.908 1.00 0.00 C ATOM 491 CG PHE A 35 -3.549 -6.489 3.979 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.449 -7.136 5.201 1.00 0.00 C ATOM 493 CD2 PHE A 35 -3.625 -7.251 2.825 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.427 -8.516 5.268 1.00 0.00 C ATOM 495 CE2 PHE A 35 -3.604 -8.631 2.887 1.00 0.00 C ATOM 496 CZ PHE A 35 -3.504 -9.265 4.111 1.00 0.00 C ATOM 0 H PHE A 35 -2.631 -2.496 3.400 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.029 -4.635 5.361 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.380 -4.617 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.804 -4.686 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.388 -6.556 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.702 -6.761 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.350 -9.009 6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.666 -9.214 1.980 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.486 -10.344 4.162 1.00 0.00 H new ATOM 506 N CYS A 36 -0.625 -6.003 3.686 1.00 0.00 N ATOM 507 CA CYS A 36 0.462 -6.562 2.891 1.00 0.00 C ATOM 508 C CYS A 36 0.437 -8.087 2.932 1.00 0.00 C ATOM 509 O CYS A 36 0.032 -8.684 3.929 1.00 0.00 O ATOM 510 CB CYS A 36 1.810 -6.048 3.397 1.00 0.00 C ATOM 511 SG CYS A 36 3.224 -6.588 2.408 1.00 0.00 S ATOM 0 H CYS A 36 -0.954 -6.610 4.436 1.00 0.00 H new ATOM 0 HA CYS A 36 0.325 -6.242 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.788 -4.958 3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.951 -6.381 4.425 1.00 0.00 H new ATOM 0 HG CYS A 36 4.067 -5.606 2.285 1.00 0.00 H new ATOM 517 N GLY A 37 0.874 -8.711 1.841 1.00 0.00 N ATOM 518 CA GLY A 37 0.893 -10.160 1.773 1.00 0.00 C ATOM 519 C GLY A 37 0.082 -10.697 0.611 1.00 0.00 C ATOM 520 O GLY A 37 0.017 -10.074 -0.450 1.00 0.00 O ATOM 0 H GLY A 37 1.215 -8.238 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.924 -10.503 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.502 -10.569 2.705 1.00 0.00 H new ATOM 524 N THR A 38 -0.537 -11.856 0.808 1.00 0.00 N ATOM 525 CA THR A 38 -1.348 -12.476 -0.232 1.00 0.00 C ATOM 526 C THR A 38 -2.834 -12.349 0.087 1.00 0.00 C ATOM 527 O THR A 38 -3.244 -12.466 1.242 1.00 0.00 O ATOM 528 CB THR A 38 -0.973 -13.951 -0.389 1.00 0.00 C ATOM 529 OG1 THR A 38 -0.597 -14.507 0.858 1.00 0.00 O ATOM 530 CG2 THR A 38 0.168 -14.180 -1.356 1.00 0.00 C ATOM 0 H THR A 38 -0.492 -12.385 1.679 1.00 0.00 H new ATOM 0 HA THR A 38 -1.151 -11.956 -1.169 1.00 0.00 H new ATOM 0 HB THR A 38 -1.865 -14.435 -0.785 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.362 -15.451 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.382 -15.247 -1.420 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.110 -13.806 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.055 -13.652 -1.004 1.00 0.00 H new ATOM 538 N THR A 39 -3.637 -12.109 -0.944 1.00 0.00 N ATOM 539 CA THR A 39 -5.078 -11.966 -0.774 1.00 0.00 C ATOM 540 C THR A 39 -5.762 -13.329 -0.760 1.00 0.00 C ATOM 541 O THR A 39 -5.104 -14.365 -0.851 1.00 0.00 O ATOM 542 CB THR A 39 -5.662 -11.100 -1.890 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.268 -11.588 -3.160 1.00 0.00 O ATOM 544 CG2 THR A 39 -5.240 -9.648 -1.806 1.00 0.00 C ATOM 0 H THR A 39 -3.314 -12.009 -1.906 1.00 0.00 H new ATOM 0 HA THR A 39 -5.259 -11.479 0.184 1.00 0.00 H new ATOM 0 HB THR A 39 -6.743 -11.155 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.489 -11.084 -3.477 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.690 -9.090 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.572 -9.227 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.154 -9.580 -1.873 1.00 0.00 H new ATOM 552 N GLU A 40 -7.086 -13.320 -0.645 1.00 0.00 N ATOM 553 CA GLU A 40 -7.860 -14.555 -0.621 1.00 0.00 C ATOM 554 C GLU A 40 -8.584 -14.771 -1.945 1.00 0.00 C ATOM 555 O GLU A 40 -8.649 -15.889 -2.454 1.00 0.00 O ATOM 556 CB GLU A 40 -8.871 -14.526 0.528 1.00 0.00 C ATOM 557 CG GLU A 40 -9.248 -15.905 1.042 1.00 0.00 C ATOM 558 CD GLU A 40 -10.662 -15.958 1.585 1.00 0.00 C ATOM 559 OE1 GLU A 40 -11.535 -15.251 1.038 1.00 0.00 O ATOM 560 OE2 GLU A 40 -10.898 -16.707 2.557 1.00 0.00 O ATOM 0 H GLU A 40 -7.645 -12.471 -0.567 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.169 -15.384 -0.467 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.457 -13.942 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.773 -14.013 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.145 -16.630 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.550 -16.200 1.826 1.00 0.00 H new ATOM 567 N PHE A 41 -9.127 -13.691 -2.498 1.00 0.00 N ATOM 568 CA PHE A 41 -9.846 -13.762 -3.765 1.00 0.00 C ATOM 569 C PHE A 41 -8.894 -14.070 -4.915 1.00 0.00 C ATOM 570 O PHE A 41 -9.274 -14.716 -5.892 1.00 0.00 O ATOM 571 CB PHE A 41 -10.579 -12.445 -4.032 1.00 0.00 C ATOM 572 CG PHE A 41 -9.670 -11.249 -4.062 1.00 0.00 C ATOM 573 CD1 PHE A 41 -9.019 -10.887 -5.231 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.468 -10.487 -2.924 1.00 0.00 C ATOM 575 CE1 PHE A 41 -8.183 -9.788 -5.263 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.634 -9.386 -2.949 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.990 -9.036 -4.120 1.00 0.00 C ATOM 0 H PHE A 41 -9.083 -12.758 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.575 -14.569 -3.696 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.103 -12.517 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.336 -12.297 -3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.167 -11.471 -6.127 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -9.968 -10.757 -2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.681 -9.517 -6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.486 -8.800 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.337 -8.176 -4.142 1.00 0.00 H new ATOM 587 N ALA A 42 -7.656 -13.604 -4.793 1.00 0.00 N ATOM 588 CA ALA A 42 -6.649 -13.830 -5.823 1.00 0.00 C ATOM 589 C ALA A 42 -5.348 -14.343 -5.216 1.00 0.00 C ATOM 590 O ALA A 42 -5.280 -14.627 -4.020 1.00 0.00 O ATOM 591 CB ALA A 42 -6.400 -12.550 -6.606 1.00 0.00 C ATOM 0 H ALA A 42 -7.326 -13.067 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.026 -14.593 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.646 -12.733 -7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.327 -12.227 -7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.048 -11.772 -5.929 1.00 0.00 H new ATOM 597 N SER A 43 -4.318 -14.458 -6.048 1.00 0.00 N ATOM 598 CA SER A 43 -3.018 -14.936 -5.592 1.00 0.00 C ATOM 599 C SER A 43 -1.908 -13.979 -6.016 1.00 0.00 C ATOM 600 O SER A 43 -1.953 -13.404 -7.103 1.00 0.00 O ATOM 601 CB SER A 43 -2.743 -16.334 -6.150 1.00 0.00 C ATOM 602 OG SER A 43 -2.311 -16.270 -7.498 1.00 0.00 O ATOM 0 H SER A 43 -4.358 -14.227 -7.041 1.00 0.00 H new ATOM 0 HA SER A 43 -3.036 -14.983 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.983 -16.827 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.647 -16.940 -6.083 1.00 0.00 H new ATOM 0 HG SER A 43 -2.140 -17.176 -7.830 1.00 0.00 H new ATOM 608 N GLY A 44 -0.913 -13.815 -5.150 1.00 0.00 N ATOM 609 CA GLY A 44 0.194 -12.928 -5.452 1.00 0.00 C ATOM 610 C GLY A 44 0.475 -11.948 -4.330 1.00 0.00 C ATOM 611 O GLY A 44 -0.311 -11.830 -3.390 1.00 0.00 O ATOM 0 H GLY A 44 -0.854 -14.281 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.088 -13.521 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.026 -12.376 -6.366 1.00 0.00 H new ATOM 615 N GLN A 45 1.597 -11.243 -4.428 1.00 0.00 N ATOM 616 CA GLN A 45 1.980 -10.268 -3.414 1.00 0.00 C ATOM 617 C GLN A 45 1.212 -8.963 -3.596 1.00 0.00 C ATOM 618 O GLN A 45 1.545 -8.152 -4.460 1.00 0.00 O ATOM 619 CB GLN A 45 3.485 -10.001 -3.475 1.00 0.00 C ATOM 620 CG GLN A 45 4.306 -10.937 -2.603 1.00 0.00 C ATOM 621 CD GLN A 45 4.850 -12.124 -3.373 1.00 0.00 C ATOM 622 OE1 GLN A 45 5.866 -12.021 -4.059 1.00 0.00 O ATOM 623 NE2 GLN A 45 4.174 -13.262 -3.261 1.00 0.00 N ATOM 0 H GLN A 45 2.258 -11.329 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 45 1.731 -10.681 -2.437 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.820 -10.093 -4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.676 -8.972 -3.169 1.00 0.00 H new ATOM 0 HG2 GLN A 45 5.135 -10.383 -2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 45 3.689 -11.295 -1.779 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.336 -13.302 -2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.493 -14.095 -3.755 1.00 0.00 H new ATOM 632 N TRP A 46 0.184 -8.768 -2.777 1.00 0.00 N ATOM 633 CA TRP A 46 -0.630 -7.560 -2.847 1.00 0.00 C ATOM 634 C TRP A 46 -0.389 -6.669 -1.633 1.00 0.00 C ATOM 635 O TRP A 46 -0.010 -7.148 -0.564 1.00 0.00 O ATOM 636 CB TRP A 46 -2.113 -7.925 -2.940 1.00 0.00 C ATOM 637 CG TRP A 46 -2.480 -8.601 -4.226 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.525 -9.945 -4.461 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.851 -7.965 -5.454 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.902 -10.183 -5.760 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.109 -8.984 -6.390 1.00 0.00 C ATOM 642 CE3 TRP A 46 -2.994 -6.633 -5.853 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.499 -8.712 -7.699 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.380 -6.364 -7.152 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.630 -7.399 -8.061 1.00 0.00 C ATOM 0 H TRP A 46 -0.105 -9.431 -2.057 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.341 -7.009 -3.742 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.371 -8.579 -2.108 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.710 -7.020 -2.831 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.298 -10.709 -3.732 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.010 -11.103 -6.187 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.806 -5.828 -5.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.691 -9.508 -8.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.491 -5.338 -7.472 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.933 -7.156 -9.069 1.00 0.00 H new ATOM 656 N VAL A 47 -0.613 -5.371 -1.806 1.00 0.00 N ATOM 657 CA VAL A 47 -0.421 -4.412 -0.724 1.00 0.00 C ATOM 658 C VAL A 47 -1.472 -3.309 -0.775 1.00 0.00 C ATOM 659 O VAL A 47 -1.660 -2.664 -1.807 1.00 0.00 O ATOM 660 CB VAL A 47 0.980 -3.774 -0.781 1.00 0.00 C ATOM 661 CG1 VAL A 47 2.049 -4.799 -0.440 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.232 -3.165 -2.153 1.00 0.00 C ATOM 0 H VAL A 47 -0.927 -4.959 -2.684 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.523 -4.964 0.210 1.00 0.00 H new ATOM 0 HB VAL A 47 1.027 -2.976 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.031 -4.329 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.877 -5.183 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.006 -5.621 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.226 -2.719 -2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.166 -3.943 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.485 -2.397 -2.353 1.00 0.00 H new ATOM 672 N GLY A 48 -2.153 -3.096 0.346 1.00 0.00 N ATOM 673 CA GLY A 48 -3.176 -2.069 0.408 1.00 0.00 C ATOM 674 C GLY A 48 -2.595 -0.684 0.614 1.00 0.00 C ATOM 675 O GLY A 48 -1.894 -0.437 1.595 1.00 0.00 O ATOM 0 H GLY A 48 -2.015 -3.616 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.757 -2.083 -0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.865 -2.295 1.222 1.00 0.00 H new ATOM 679 N VAL A 49 -2.886 0.222 -0.313 1.00 0.00 N ATOM 680 CA VAL A 49 -2.386 1.589 -0.229 1.00 0.00 C ATOM 681 C VAL A 49 -3.534 2.593 -0.187 1.00 0.00 C ATOM 682 O VAL A 49 -4.464 2.522 -0.992 1.00 0.00 O ATOM 683 CB VAL A 49 -1.469 1.927 -1.419 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.803 3.279 -1.213 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.428 0.836 -1.617 1.00 0.00 C ATOM 0 H VAL A 49 -3.466 0.034 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.811 1.658 0.694 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.079 1.983 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.159 3.501 -2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.567 4.051 -1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.205 3.255 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.211 1.092 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.180 0.745 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.928 -0.112 -1.814 1.00 0.00 H new ATOM 695 N GLU A 50 -3.461 3.528 0.754 1.00 0.00 N ATOM 696 CA GLU A 50 -4.493 4.548 0.900 1.00 0.00 C ATOM 697 C GLU A 50 -4.099 5.827 0.169 1.00 0.00 C ATOM 698 O GLU A 50 -3.122 6.484 0.531 1.00 0.00 O ATOM 699 CB GLU A 50 -4.740 4.846 2.379 1.00 0.00 C ATOM 700 CG GLU A 50 -6.185 5.195 2.696 1.00 0.00 C ATOM 701 CD GLU A 50 -6.391 5.560 4.154 1.00 0.00 C ATOM 702 OE1 GLU A 50 -6.569 4.639 4.977 1.00 0.00 O ATOM 703 OE2 GLU A 50 -6.373 6.768 4.471 1.00 0.00 O ATOM 0 H GLU A 50 -2.698 3.601 1.427 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.413 4.166 0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.446 3.978 2.970 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.099 5.673 2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.499 6.029 2.069 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.823 4.348 2.444 1.00 0.00 H new ATOM 710 N LEU A 51 -4.863 6.174 -0.861 1.00 0.00 N ATOM 711 CA LEU A 51 -4.592 7.375 -1.642 1.00 0.00 C ATOM 712 C LEU A 51 -4.682 8.623 -0.771 1.00 0.00 C ATOM 713 O LEU A 51 -5.749 8.957 -0.256 1.00 0.00 O ATOM 714 CB LEU A 51 -5.574 7.482 -2.811 1.00 0.00 C ATOM 715 CG LEU A 51 -5.179 6.694 -4.061 1.00 0.00 C ATOM 716 CD1 LEU A 51 -6.342 6.629 -5.039 1.00 0.00 C ATOM 717 CD2 LEU A 51 -3.959 7.318 -4.720 1.00 0.00 C ATOM 0 H LEU A 51 -5.674 5.641 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.578 7.301 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.553 7.137 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.681 8.533 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.925 5.677 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.043 6.065 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.190 6.136 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.627 7.639 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.692 6.745 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.185 8.345 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.124 7.312 -4.019 1.00 0.00 H new ATOM 729 N ASP A 52 -3.555 9.309 -0.609 1.00 0.00 N ATOM 730 CA ASP A 52 -3.507 10.521 0.199 1.00 0.00 C ATOM 731 C ASP A 52 -4.448 11.584 -0.357 1.00 0.00 C ATOM 732 O ASP A 52 -5.000 12.391 0.390 1.00 0.00 O ATOM 733 CB ASP A 52 -2.079 11.066 0.255 1.00 0.00 C ATOM 734 CG ASP A 52 -1.718 11.604 1.626 1.00 0.00 C ATOM 735 OD1 ASP A 52 -1.480 10.789 2.541 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.674 12.843 1.784 1.00 0.00 O ATOM 0 H ASP A 52 -2.663 9.046 -1.027 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.831 10.267 1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.380 10.275 -0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.967 11.859 -0.484 1.00 0.00 H new ATOM 741 N GLU A 53 -4.628 11.578 -1.674 1.00 0.00 N ATOM 742 CA GLU A 53 -5.503 12.540 -2.331 1.00 0.00 C ATOM 743 C GLU A 53 -6.902 11.961 -2.529 1.00 0.00 C ATOM 744 O GLU A 53 -7.092 10.746 -2.474 1.00 0.00 O ATOM 745 CB GLU A 53 -4.916 12.956 -3.681 1.00 0.00 C ATOM 746 CG GLU A 53 -3.988 14.157 -3.597 1.00 0.00 C ATOM 747 CD GLU A 53 -4.239 15.167 -4.701 1.00 0.00 C ATOM 748 OE1 GLU A 53 -4.428 14.744 -5.860 1.00 0.00 O ATOM 749 OE2 GLU A 53 -4.247 16.380 -4.404 1.00 0.00 O ATOM 0 H GLU A 53 -4.179 10.916 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.581 13.418 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.369 12.114 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.731 13.185 -4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.115 14.643 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.954 13.817 -3.649 1.00 0.00 H new ATOM 756 N PRO A 54 -7.903 12.827 -2.762 1.00 0.00 N ATOM 757 CA PRO A 54 -9.289 12.394 -2.968 1.00 0.00 C ATOM 758 C PRO A 54 -9.480 11.682 -4.304 1.00 0.00 C ATOM 759 O PRO A 54 -9.891 12.292 -5.291 1.00 0.00 O ATOM 760 CB PRO A 54 -10.077 13.705 -2.943 1.00 0.00 C ATOM 761 CG PRO A 54 -9.098 14.743 -3.369 1.00 0.00 C ATOM 762 CD PRO A 54 -7.762 14.293 -2.843 1.00 0.00 C ATOM 0 HA PRO A 54 -9.609 11.675 -2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.932 13.666 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.467 13.914 -1.947 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.078 14.838 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.366 15.720 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.950 14.582 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.546 14.730 -1.868 1.00 0.00 H new ATOM 770 N GLU A 55 -9.180 10.388 -4.327 1.00 0.00 N ATOM 771 CA GLU A 55 -9.318 9.593 -5.541 1.00 0.00 C ATOM 772 C GLU A 55 -9.395 8.105 -5.213 1.00 0.00 C ATOM 773 O GLU A 55 -9.225 7.704 -4.062 1.00 0.00 O ATOM 774 CB GLU A 55 -8.144 9.859 -6.486 1.00 0.00 C ATOM 775 CG GLU A 55 -8.555 10.002 -7.942 1.00 0.00 C ATOM 776 CD GLU A 55 -7.655 9.223 -8.881 1.00 0.00 C ATOM 777 OE1 GLU A 55 -6.479 8.998 -8.525 1.00 0.00 O ATOM 778 OE2 GLU A 55 -8.125 8.840 -9.973 1.00 0.00 O ATOM 0 H GLU A 55 -8.840 9.868 -3.518 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.246 9.886 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.633 10.769 -6.170 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.426 9.044 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.583 9.658 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.537 11.056 -8.219 1.00 0.00 H new ATOM 785 N GLY A 56 -9.653 7.291 -6.232 1.00 0.00 N ATOM 786 CA GLY A 56 -9.746 5.857 -6.030 1.00 0.00 C ATOM 787 C GLY A 56 -11.133 5.317 -6.317 1.00 0.00 C ATOM 788 O GLY A 56 -12.050 6.077 -6.630 1.00 0.00 O ATOM 0 H GLY A 56 -9.799 7.599 -7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.024 5.355 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.473 5.620 -5.002 1.00 0.00 H new ATOM 792 N LYS A 57 -11.286 4.001 -6.210 1.00 0.00 N ATOM 793 CA LYS A 57 -12.572 3.357 -6.460 1.00 0.00 C ATOM 794 C LYS A 57 -12.836 2.258 -5.435 1.00 0.00 C ATOM 795 O LYS A 57 -13.488 1.258 -5.737 1.00 0.00 O ATOM 796 CB LYS A 57 -12.608 2.773 -7.873 1.00 0.00 C ATOM 797 CG LYS A 57 -13.959 2.916 -8.556 1.00 0.00 C ATOM 798 CD LYS A 57 -14.404 1.610 -9.194 1.00 0.00 C ATOM 799 CE LYS A 57 -15.785 1.736 -9.816 1.00 0.00 C ATOM 800 NZ LYS A 57 -16.851 1.227 -8.909 1.00 0.00 N ATOM 0 H LYS A 57 -10.536 3.359 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 57 -13.353 4.112 -6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.849 3.266 -8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.343 1.717 -7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.703 3.238 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.902 3.693 -9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.685 1.314 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.413 0.821 -8.442 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.981 2.781 -10.056 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.812 1.183 -10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.778 1.331 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.679 0.223 -8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.842 1.772 -8.023 1.00 0.00 H new ATOM 814 N ASN A 58 -12.325 2.451 -4.223 1.00 0.00 N ATOM 815 CA ASN A 58 -12.505 1.478 -3.153 1.00 0.00 C ATOM 816 C ASN A 58 -12.636 2.174 -1.803 1.00 0.00 C ATOM 817 O ASN A 58 -12.371 3.369 -1.681 1.00 0.00 O ATOM 818 CB ASN A 58 -11.329 0.499 -3.123 1.00 0.00 C ATOM 819 CG ASN A 58 -11.022 -0.079 -4.491 1.00 0.00 C ATOM 820 OD1 ASN A 58 -10.364 0.558 -5.313 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.500 -1.292 -4.741 1.00 0.00 N ATOM 0 H ASN A 58 -11.783 3.273 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.424 0.925 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.445 1.009 -2.741 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.553 -0.313 -2.431 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.326 -1.732 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.041 -1.784 -4.030 1.00 0.00 H new ATOM 828 N ASP A 59 -13.049 1.417 -0.790 1.00 0.00 N ATOM 829 CA ASP A 59 -13.216 1.964 0.552 1.00 0.00 C ATOM 830 C ASP A 59 -12.501 1.100 1.589 1.00 0.00 C ATOM 831 O ASP A 59 -12.879 1.082 2.760 1.00 0.00 O ATOM 832 CB ASP A 59 -14.703 2.075 0.897 1.00 0.00 C ATOM 833 CG ASP A 59 -15.086 3.464 1.370 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.179 4.228 1.762 1.00 0.00 O ATOM 835 OD2 ASP A 59 -16.292 3.787 1.348 1.00 0.00 O ATOM 0 H ASP A 59 -13.274 0.425 -0.873 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.770 2.959 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.297 1.816 0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.948 1.350 1.673 1.00 0.00 H new ATOM 840 N GLY A 60 -11.467 0.388 1.151 1.00 0.00 N ATOM 841 CA GLY A 60 -10.718 -0.465 2.057 1.00 0.00 C ATOM 842 C GLY A 60 -11.210 -1.900 2.048 1.00 0.00 C ATOM 843 O GLY A 60 -10.459 -2.821 2.372 1.00 0.00 O ATOM 0 H GLY A 60 -11.135 0.386 0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.664 -0.445 1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.791 -0.066 3.069 1.00 0.00 H new ATOM 847 N SER A 61 -12.473 -2.093 1.680 1.00 0.00 N ATOM 848 CA SER A 61 -13.061 -3.428 1.634 1.00 0.00 C ATOM 849 C SER A 61 -13.428 -3.814 0.205 1.00 0.00 C ATOM 850 O SER A 61 -13.905 -2.984 -0.570 1.00 0.00 O ATOM 851 CB SER A 61 -14.301 -3.491 2.527 1.00 0.00 C ATOM 852 OG SER A 61 -14.501 -4.801 3.029 1.00 0.00 O ATOM 0 H SER A 61 -13.109 -1.343 1.409 1.00 0.00 H new ATOM 0 HA SER A 61 -12.320 -4.137 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.191 -2.793 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.178 -3.177 1.960 1.00 0.00 H new ATOM 0 HG SER A 61 -14.263 -5.455 2.340 1.00 0.00 H new ATOM 858 N VAL A 62 -13.203 -5.078 -0.137 1.00 0.00 N ATOM 859 CA VAL A 62 -13.512 -5.576 -1.472 1.00 0.00 C ATOM 860 C VAL A 62 -14.467 -6.763 -1.408 1.00 0.00 C ATOM 861 O VAL A 62 -14.113 -7.831 -0.907 1.00 0.00 O ATOM 862 CB VAL A 62 -12.235 -6.001 -2.223 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.553 -6.330 -3.674 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.176 -4.913 -2.134 1.00 0.00 C ATOM 0 H VAL A 62 -12.808 -5.777 0.492 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.988 -4.757 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.839 -6.900 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.639 -6.628 -4.188 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.274 -7.147 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.974 -5.451 -4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.282 -5.231 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -11.559 -3.995 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.927 -4.732 -1.088 1.00 0.00 H new ATOM 874 N GLY A 63 -15.680 -6.567 -1.916 1.00 0.00 N ATOM 875 CA GLY A 63 -16.667 -7.631 -1.904 1.00 0.00 C ATOM 876 C GLY A 63 -17.063 -8.040 -0.499 1.00 0.00 C ATOM 877 O GLY A 63 -17.995 -7.480 0.078 1.00 0.00 O ATOM 0 H GLY A 63 -15.996 -5.692 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.554 -7.306 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -16.269 -8.497 -2.433 1.00 0.00 H new ATOM 881 N GLY A 64 -16.351 -9.017 0.053 1.00 0.00 N ATOM 882 CA GLY A 64 -16.647 -9.483 1.395 1.00 0.00 C ATOM 883 C GLY A 64 -15.417 -9.524 2.282 1.00 0.00 C ATOM 884 O GLY A 64 -15.381 -10.259 3.269 1.00 0.00 O ATOM 0 H GLY A 64 -15.575 -9.494 -0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.394 -8.830 1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.085 -10.480 1.341 1.00 0.00 H new ATOM 888 N VAL A 65 -14.407 -8.733 1.932 1.00 0.00 N ATOM 889 CA VAL A 65 -13.172 -8.684 2.704 1.00 0.00 C ATOM 890 C VAL A 65 -12.802 -7.246 3.051 1.00 0.00 C ATOM 891 O VAL A 65 -12.770 -6.375 2.181 1.00 0.00 O ATOM 892 CB VAL A 65 -12.001 -9.333 1.940 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.764 -9.414 2.822 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.391 -10.712 1.431 1.00 0.00 C ATOM 0 H VAL A 65 -14.421 -8.118 1.119 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.350 -9.245 3.621 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.765 -8.707 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.949 -9.875 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.471 -8.411 3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.985 -10.015 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.551 -11.153 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.658 -11.349 2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.244 -10.624 0.759 1.00 0.00 H new ATOM 904 N ARG A 66 -12.524 -7.002 4.328 1.00 0.00 N ATOM 905 CA ARG A 66 -12.156 -5.668 4.789 1.00 0.00 C ATOM 906 C ARG A 66 -10.698 -5.628 5.233 1.00 0.00 C ATOM 907 O ARG A 66 -10.233 -6.510 5.954 1.00 0.00 O ATOM 908 CB ARG A 66 -13.064 -5.237 5.942 1.00 0.00 C ATOM 909 CG ARG A 66 -13.215 -3.730 6.067 1.00 0.00 C ATOM 910 CD ARG A 66 -13.844 -3.341 7.395 1.00 0.00 C ATOM 911 NE ARG A 66 -15.133 -3.996 7.603 1.00 0.00 N ATOM 912 CZ ARG A 66 -16.269 -3.593 7.038 1.00 0.00 C ATOM 913 NH1 ARG A 66 -16.279 -2.540 6.229 1.00 0.00 N ATOM 914 NH2 ARG A 66 -17.397 -4.245 7.280 1.00 0.00 N ATOM 0 H ARG A 66 -12.547 -7.710 5.062 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.282 -4.975 3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.049 -5.682 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.664 -5.632 6.876 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.238 -3.256 5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.830 -3.356 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.168 -3.606 8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.977 -2.260 7.430 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.164 -4.810 8.217 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.413 -2.036 6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.152 -2.236 5.799 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.395 -5.056 7.899 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.267 -3.936 6.847 1.00 0.00 H new ATOM 928 N TYR A 67 -9.980 -4.598 4.796 1.00 0.00 N ATOM 929 CA TYR A 67 -8.572 -4.441 5.148 1.00 0.00 C ATOM 930 C TYR A 67 -8.362 -3.195 6.001 1.00 0.00 C ATOM 931 O TYR A 67 -7.610 -3.216 6.975 1.00 0.00 O ATOM 932 CB TYR A 67 -7.715 -4.360 3.884 1.00 0.00 C ATOM 933 CG TYR A 67 -7.780 -5.603 3.025 1.00 0.00 C ATOM 934 CD1 TYR A 67 -6.894 -6.654 3.225 1.00 0.00 C ATOM 935 CD2 TYR A 67 -8.727 -5.725 2.017 1.00 0.00 C ATOM 936 CE1 TYR A 67 -6.950 -7.793 2.443 1.00 0.00 C ATOM 937 CE2 TYR A 67 -8.790 -6.860 1.231 1.00 0.00 C ATOM 938 CZ TYR A 67 -7.899 -7.890 1.447 1.00 0.00 C ATOM 939 OH TYR A 67 -7.959 -9.021 0.667 1.00 0.00 O ATOM 0 H TYR A 67 -10.350 -3.859 4.197 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.268 -5.312 5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.036 -3.503 3.292 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.679 -4.180 4.169 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.149 -6.580 4.004 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.426 -4.920 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.255 -8.602 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -9.533 -6.940 0.452 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.684 -8.930 0.014 1.00 0.00 H new ATOM 949 N PHE A 68 -9.031 -2.109 5.626 1.00 0.00 N ATOM 950 CA PHE A 68 -8.916 -0.851 6.356 1.00 0.00 C ATOM 951 C PHE A 68 -10.113 0.051 6.071 1.00 0.00 C ATOM 952 O PHE A 68 -11.032 -0.330 5.346 1.00 0.00 O ATOM 953 CB PHE A 68 -7.621 -0.133 5.976 1.00 0.00 C ATOM 954 CG PHE A 68 -7.422 0.002 4.493 1.00 0.00 C ATOM 955 CD1 PHE A 68 -6.780 -0.991 3.773 1.00 0.00 C ATOM 956 CD2 PHE A 68 -7.879 1.125 3.820 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.597 -0.869 2.409 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.699 1.253 2.457 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.057 0.254 1.749 1.00 0.00 C ATOM 0 H PHE A 68 -9.658 -2.075 4.822 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.897 -1.077 7.422 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.620 0.860 6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.776 -0.676 6.400 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.418 -1.871 4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.381 1.908 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.095 -1.651 1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.059 2.133 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.915 0.351 0.683 1.00 0.00 H new ATOM 969 N ILE A 69 -10.095 1.249 6.647 1.00 0.00 N ATOM 970 CA ILE A 69 -11.178 2.206 6.454 1.00 0.00 C ATOM 971 C ILE A 69 -10.645 3.547 5.963 1.00 0.00 C ATOM 972 O ILE A 69 -9.575 3.992 6.380 1.00 0.00 O ATOM 973 CB ILE A 69 -11.972 2.427 7.757 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.383 1.086 8.367 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.196 3.291 7.493 1.00 0.00 C ATOM 976 CD1 ILE A 69 -12.629 1.150 9.858 1.00 0.00 C ATOM 0 H ILE A 69 -9.342 1.580 7.251 1.00 0.00 H new ATOM 0 HA ILE A 69 -11.842 1.784 5.700 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.331 2.946 8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.288 0.733 7.873 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.603 0.351 8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.745 3.437 8.423 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.881 4.258 7.101 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.840 2.797 6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.917 0.164 10.222 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.719 1.472 10.363 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.429 1.860 10.065 1.00 0.00 H new ATOM 988 N CYS A 70 -11.398 4.188 5.074 1.00 0.00 N ATOM 989 CA CYS A 70 -11.000 5.479 4.526 1.00 0.00 C ATOM 990 C CYS A 70 -12.197 6.206 3.917 1.00 0.00 C ATOM 991 O CYS A 70 -13.217 5.588 3.610 1.00 0.00 O ATOM 992 CB CYS A 70 -9.911 5.293 3.467 1.00 0.00 C ATOM 993 SG CYS A 70 -10.314 4.069 2.200 1.00 0.00 S ATOM 0 H CYS A 70 -12.286 3.834 4.718 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.606 6.085 5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.722 6.252 2.984 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -8.986 4.997 3.961 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.334 3.985 1.350 1.00 0.00 H new ATOM 999 N PRO A 71 -12.088 7.533 3.734 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.166 8.342 3.158 1.00 0.00 C ATOM 1001 C PRO A 71 -13.661 7.782 1.826 1.00 0.00 C ATOM 1002 O PRO A 71 -13.070 6.852 1.277 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.516 9.713 2.954 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.408 9.758 3.948 1.00 0.00 C ATOM 1005 CD PRO A 71 -10.905 8.347 4.073 1.00 0.00 C ATOM 0 HA PRO A 71 -14.045 8.366 3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.140 9.826 1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.231 10.519 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.614 10.427 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.761 10.133 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.076 8.154 3.393 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.547 8.136 5.080 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.756 8.346 1.286 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.326 7.898 0.013 1.00 0.00 C ATOM 1015 C PRO A 72 -14.288 7.853 -1.103 1.00 0.00 C ATOM 1016 O PRO A 72 -13.868 8.890 -1.618 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.392 8.954 -0.291 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.769 9.505 1.039 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.520 9.462 1.874 1.00 0.00 C ATOM 0 HA PRO A 72 -15.718 6.883 0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.002 9.733 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.252 8.514 -0.796 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.142 10.525 0.947 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.564 8.915 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.968 10.400 1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.745 9.285 2.926 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.877 6.645 -1.474 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.887 6.464 -2.529 1.00 0.00 C ATOM 1029 C LYS A 73 -11.569 7.139 -2.162 1.00 0.00 C ATOM 1030 O LYS A 73 -11.305 8.269 -2.571 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.411 7.029 -3.851 1.00 0.00 C ATOM 1032 CG LYS A 73 -14.686 6.359 -4.336 1.00 0.00 C ATOM 1033 CD LYS A 73 -15.481 7.272 -5.255 1.00 0.00 C ATOM 1034 CE LYS A 73 -15.219 6.955 -6.718 1.00 0.00 C ATOM 1035 NZ LYS A 73 -16.365 7.348 -7.585 1.00 0.00 N ATOM 0 H LYS A 73 -14.215 5.776 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.707 5.395 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.594 8.097 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.640 6.920 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.436 5.438 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.300 6.079 -3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.545 7.166 -5.044 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.218 8.311 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.320 7.476 -7.047 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.028 5.888 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.147 7.115 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.218 6.832 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.531 8.371 -7.498 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.746 6.439 -1.389 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.455 6.971 -0.967 1.00 0.00 C ATOM 1051 C GLN A 74 -8.461 5.844 -0.702 1.00 0.00 C ATOM 1052 O GLN A 74 -7.547 5.986 0.111 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.621 7.829 0.289 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.947 9.188 0.190 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.722 9.827 1.547 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.275 10.885 1.847 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -7.905 9.187 2.375 1.00 0.00 N ATOM 0 H GLN A 74 -10.950 5.502 -1.042 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.064 7.591 -1.773 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.684 7.973 0.483 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.211 7.291 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.990 9.078 -0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -9.560 9.850 -0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.468 8.312 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.715 9.570 3.301 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.644 4.723 -1.395 1.00 0.00 N ATOM 1067 CA GLY A 75 -7.754 3.590 -1.219 1.00 0.00 C ATOM 1068 C GLY A 75 -7.778 2.644 -2.404 1.00 0.00 C ATOM 1069 O GLY A 75 -8.801 2.506 -3.076 1.00 0.00 O ATOM 0 H GLY A 75 -9.392 4.580 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.737 3.951 -1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.037 3.046 -0.318 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.649 1.992 -2.661 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.543 1.055 -3.772 1.00 0.00 C ATOM 1075 C LEU A 76 -5.527 -0.041 -3.466 1.00 0.00 C ATOM 1076 O LEU A 76 -4.560 0.182 -2.738 1.00 0.00 O ATOM 1077 CB LEU A 76 -6.145 1.791 -5.053 1.00 0.00 C ATOM 1078 CG LEU A 76 -6.445 1.037 -6.353 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -7.626 1.664 -7.078 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -5.218 1.013 -7.253 1.00 0.00 C ATOM 0 H LEU A 76 -5.794 2.096 -2.114 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.519 0.591 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.663 2.750 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.077 2.006 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.706 0.010 -6.099 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.822 1.114 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.507 1.626 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.396 2.702 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.451 0.473 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.925 2.034 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.398 0.514 -6.737 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.754 -1.225 -4.027 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.858 -2.355 -3.815 1.00 0.00 C ATOM 1094 C PHE A 77 -4.018 -2.624 -5.059 1.00 0.00 C ATOM 1095 O PHE A 77 -4.552 -2.831 -6.147 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.659 -3.605 -3.445 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.564 -3.410 -2.262 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -6.109 -3.661 -0.977 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -7.867 -2.975 -2.434 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -6.938 -3.482 0.114 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -8.702 -2.795 -1.348 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.236 -3.049 -0.072 1.00 0.00 C ATOM 0 H PHE A 77 -6.551 -1.426 -4.631 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.187 -2.106 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.257 -3.910 -4.303 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.967 -4.420 -3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.095 -4.000 -0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.235 -2.774 -3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.571 -3.680 1.110 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.717 -2.456 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.886 -2.909 0.779 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.700 -2.618 -4.889 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.786 -2.861 -6.000 1.00 0.00 C ATOM 1114 C ALA A 78 -0.715 -3.876 -5.618 1.00 0.00 C ATOM 1115 O ALA A 78 -0.689 -4.375 -4.493 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.144 -1.557 -6.448 1.00 0.00 C ATOM 0 H ALA A 78 -2.241 -2.448 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.361 -3.274 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.464 -1.752 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.919 -0.862 -6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.588 -1.121 -5.618 1.00 0.00 H new ATOM 1122 N SER A 79 0.169 -4.179 -6.563 1.00 0.00 N ATOM 1123 CA SER A 79 1.245 -5.134 -6.327 1.00 0.00 C ATOM 1124 C SER A 79 2.546 -4.414 -5.985 1.00 0.00 C ATOM 1125 O SER A 79 2.707 -3.229 -6.279 1.00 0.00 O ATOM 1126 CB SER A 79 1.444 -6.022 -7.558 1.00 0.00 C ATOM 1127 OG SER A 79 1.329 -7.394 -7.221 1.00 0.00 O ATOM 0 H SER A 79 0.161 -3.776 -7.500 1.00 0.00 H new ATOM 0 HA SER A 79 0.965 -5.759 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.704 -5.768 -8.317 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.425 -5.832 -7.993 1.00 0.00 H new ATOM 0 HG SER A 79 1.440 -7.504 -6.253 1.00 0.00 H new ATOM 1133 N VAL A 80 3.472 -5.138 -5.364 1.00 0.00 N ATOM 1134 CA VAL A 80 4.758 -4.568 -4.984 1.00 0.00 C ATOM 1135 C VAL A 80 5.500 -4.024 -6.200 1.00 0.00 C ATOM 1136 O VAL A 80 6.205 -3.020 -6.113 1.00 0.00 O ATOM 1137 CB VAL A 80 5.646 -5.608 -4.277 1.00 0.00 C ATOM 1138 CG1 VAL A 80 5.075 -5.963 -2.913 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.799 -6.853 -5.140 1.00 0.00 C ATOM 0 H VAL A 80 3.355 -6.120 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 80 4.550 -3.750 -4.294 1.00 0.00 H new ATOM 0 HB VAL A 80 6.634 -5.172 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.717 -6.699 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.023 -5.066 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.075 -6.378 -3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.430 -7.578 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.818 -7.291 -5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.259 -6.583 -6.090 1.00 0.00 H new ATOM 1149 N SER A 81 5.333 -4.696 -7.335 1.00 0.00 N ATOM 1150 CA SER A 81 5.987 -4.281 -8.572 1.00 0.00 C ATOM 1151 C SER A 81 5.425 -2.952 -9.067 1.00 0.00 C ATOM 1152 O SER A 81 6.112 -2.195 -9.753 1.00 0.00 O ATOM 1153 CB SER A 81 5.813 -5.355 -9.648 1.00 0.00 C ATOM 1154 OG SER A 81 6.529 -5.018 -10.824 1.00 0.00 O ATOM 0 H SER A 81 4.751 -5.529 -7.424 1.00 0.00 H new ATOM 0 HA SER A 81 7.049 -4.150 -8.366 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.162 -6.315 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.755 -5.471 -9.883 1.00 0.00 H new ATOM 0 HG SER A 81 6.403 -5.720 -11.496 1.00 0.00 H new ATOM 1160 N LYS A 82 4.173 -2.673 -8.716 1.00 0.00 N ATOM 1161 CA LYS A 82 3.522 -1.435 -9.128 1.00 0.00 C ATOM 1162 C LYS A 82 3.618 -0.372 -8.035 1.00 0.00 C ATOM 1163 O LYS A 82 2.812 0.556 -7.988 1.00 0.00 O ATOM 1164 CB LYS A 82 2.055 -1.697 -9.472 1.00 0.00 C ATOM 1165 CG LYS A 82 1.811 -1.939 -10.954 1.00 0.00 C ATOM 1166 CD LYS A 82 1.325 -0.680 -11.652 1.00 0.00 C ATOM 1167 CE LYS A 82 -0.126 -0.378 -11.310 1.00 0.00 C ATOM 1168 NZ LYS A 82 -0.244 0.477 -10.097 1.00 0.00 N ATOM 0 H LYS A 82 3.590 -3.287 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 82 4.037 -1.063 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.708 -2.563 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.457 -0.845 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.732 -2.284 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.074 -2.732 -11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.952 0.163 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.429 -0.798 -12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.601 0.122 -12.154 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.663 -1.313 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.009 1.169 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.458 -0.119 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.653 0.979 -9.938 1.00 0.00 H new ATOM 1182 N ILE A 83 4.608 -0.514 -7.157 1.00 0.00 N ATOM 1183 CA ILE A 83 4.803 0.437 -6.069 1.00 0.00 C ATOM 1184 C ILE A 83 6.274 0.524 -5.675 1.00 0.00 C ATOM 1185 O ILE A 83 7.046 -0.405 -5.911 1.00 0.00 O ATOM 1186 CB ILE A 83 3.973 0.054 -4.828 1.00 0.00 C ATOM 1187 CG1 ILE A 83 2.519 -0.214 -5.221 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.051 1.155 -3.779 1.00 0.00 C ATOM 1189 CD1 ILE A 83 1.632 -0.580 -4.050 1.00 0.00 C ATOM 0 H ILE A 83 5.285 -1.277 -7.178 1.00 0.00 H new ATOM 0 HA ILE A 83 4.467 1.408 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 83 4.387 -0.859 -4.400 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.114 0.672 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.492 -1.021 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.460 0.871 -2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.089 1.301 -3.481 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.660 2.083 -4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.616 -0.756 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.012 -1.484 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.628 0.236 -3.327 1.00 0.00 H new ATOM 1201 N SER A 84 6.655 1.647 -5.075 1.00 0.00 N ATOM 1202 CA SER A 84 8.034 1.855 -4.649 1.00 0.00 C ATOM 1203 C SER A 84 8.085 2.443 -3.242 1.00 0.00 C ATOM 1204 O SER A 84 7.269 3.292 -2.883 1.00 0.00 O ATOM 1205 CB SER A 84 8.757 2.783 -5.627 1.00 0.00 C ATOM 1206 OG SER A 84 9.401 2.043 -6.650 1.00 0.00 O ATOM 0 H SER A 84 6.029 2.426 -4.873 1.00 0.00 H new ATOM 0 HA SER A 84 8.535 0.887 -4.638 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.043 3.477 -6.070 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.492 3.382 -5.089 1.00 0.00 H new ATOM 0 HG SER A 84 9.854 2.659 -7.263 1.00 0.00 H new ATOM 1212 N LYS A 85 9.049 1.985 -2.450 1.00 0.00 N ATOM 1213 CA LYS A 85 9.207 2.466 -1.082 1.00 0.00 C ATOM 1214 C LYS A 85 9.468 3.968 -1.060 1.00 0.00 C ATOM 1215 O LYS A 85 10.419 4.452 -1.673 1.00 0.00 O ATOM 1216 CB LYS A 85 10.354 1.727 -0.389 1.00 0.00 C ATOM 1217 CG LYS A 85 11.639 1.701 -1.200 1.00 0.00 C ATOM 1218 CD LYS A 85 12.843 1.387 -0.327 1.00 0.00 C ATOM 1219 CE LYS A 85 12.925 -0.096 -0.005 1.00 0.00 C ATOM 1220 NZ LYS A 85 13.975 -0.387 1.010 1.00 0.00 N ATOM 0 H LYS A 85 9.732 1.282 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 85 8.279 2.269 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 85 10.551 2.200 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.043 0.703 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.557 0.955 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.783 2.666 -1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.754 1.701 -0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.782 1.959 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.959 -0.441 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.137 -0.654 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.661 -1.168 1.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.857 -0.656 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.142 0.460 1.590 1.00 0.00 H new ATOM 1234 N ALA A 86 8.617 4.701 -0.349 1.00 0.00 N ATOM 1235 CA ALA A 86 8.755 6.149 -0.247 1.00 0.00 C ATOM 1236 C ALA A 86 9.739 6.529 0.854 1.00 0.00 C ATOM 1237 O ALA A 86 9.377 6.591 2.029 1.00 0.00 O ATOM 1238 CB ALA A 86 7.401 6.791 0.007 1.00 0.00 C ATOM 0 H ALA A 86 7.825 4.316 0.165 1.00 0.00 H new ATOM 0 HA ALA A 86 9.148 6.520 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.519 7.872 0.081 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.726 6.555 -0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.985 6.407 0.938 1.00 0.00 H new ATOM 1244 N VAL A 87 10.984 6.784 0.466 1.00 0.00 N ATOM 1245 CA VAL A 87 12.020 7.159 1.421 1.00 0.00 C ATOM 1246 C VAL A 87 11.717 8.512 2.054 1.00 0.00 C ATOM 1247 O VAL A 87 12.054 9.558 1.499 1.00 0.00 O ATOM 1248 CB VAL A 87 13.408 7.216 0.752 1.00 0.00 C ATOM 1249 CG1 VAL A 87 14.494 7.454 1.791 1.00 0.00 C ATOM 1250 CG2 VAL A 87 13.680 5.939 -0.029 1.00 0.00 C ATOM 0 H VAL A 87 11.300 6.738 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 87 12.030 6.392 2.195 1.00 0.00 H new ATOM 0 HB VAL A 87 13.417 8.051 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.466 7.491 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.309 8.400 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.486 6.642 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.664 5.999 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.650 5.085 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.921 5.816 -0.802 1.00 0.00 H new ATOM 1260 N ASP A 88 11.080 8.486 3.220 1.00 0.00 N ATOM 1261 CA ASP A 88 10.732 9.711 3.929 1.00 0.00 C ATOM 1262 C ASP A 88 11.069 9.595 5.413 1.00 0.00 C ATOM 1263 O ASP A 88 11.670 10.498 5.995 1.00 0.00 O ATOM 1264 CB ASP A 88 9.243 10.020 3.754 1.00 0.00 C ATOM 1265 CG ASP A 88 8.999 11.443 3.290 1.00 0.00 C ATOM 1266 OD1 ASP A 88 9.611 12.368 3.865 1.00 0.00 O ATOM 1267 OD2 ASP A 88 8.196 11.632 2.352 1.00 0.00 O ATOM 0 H ASP A 88 10.794 7.629 3.694 1.00 0.00 H new ATOM 0 HA ASP A 88 11.318 10.527 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.813 9.326 3.031 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.727 9.855 4.700 1.00 0.00 H new ATOM 1272 N ALA A 89 10.680 8.478 6.019 1.00 0.00 N ATOM 1273 CA ALA A 89 10.942 8.245 7.434 1.00 0.00 C ATOM 1274 C ALA A 89 12.003 7.166 7.625 1.00 0.00 C ATOM 1275 O ALA A 89 11.688 5.980 7.717 1.00 0.00 O ATOM 1276 CB ALA A 89 9.657 7.856 8.150 1.00 0.00 C ATOM 0 H ALA A 89 10.182 7.720 5.552 1.00 0.00 H new ATOM 0 HA ALA A 89 11.321 9.171 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.866 7.685 9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.927 8.660 8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.255 6.944 7.707 1.00 0.00 H new ATOM 1282 N SER A 90 13.262 7.588 7.683 1.00 0.00 N ATOM 1283 CA SER A 90 14.372 6.658 7.862 1.00 0.00 C ATOM 1284 C SER A 90 14.309 5.994 9.234 1.00 0.00 C ATOM 1285 O SER A 90 14.412 4.774 9.350 1.00 0.00 O ATOM 1286 CB SER A 90 15.707 7.385 7.696 1.00 0.00 C ATOM 1287 OG SER A 90 15.589 8.754 8.043 1.00 0.00 O ATOM 0 H SER A 90 13.539 8.567 7.609 1.00 0.00 H new ATOM 0 HA SER A 90 14.291 5.884 7.099 1.00 0.00 H new ATOM 0 HB2 SER A 90 16.463 6.912 8.323 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.047 7.296 6.664 1.00 0.00 H new ATOM 0 HG SER A 90 16.456 9.196 7.930 1.00 0.00 H new ATOM 1293 N GLY A 91 14.140 6.808 10.272 1.00 0.00 N ATOM 1294 CA GLY A 91 14.067 6.282 11.622 1.00 0.00 C ATOM 1295 C GLY A 91 13.460 7.271 12.600 1.00 0.00 C ATOM 1296 O GLY A 91 13.039 8.358 12.203 1.00 0.00 O ATOM 0 H GLY A 91 14.052 7.822 10.202 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.474 5.367 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.068 6.012 11.958 1.00 0.00 H new ATOM 1300 N PRO A 92 13.400 6.921 13.896 1.00 0.00 N ATOM 1301 CA PRO A 92 12.835 7.799 14.926 1.00 0.00 C ATOM 1302 C PRO A 92 13.450 9.194 14.899 1.00 0.00 C ATOM 1303 O PRO A 92 12.773 10.187 15.164 1.00 0.00 O ATOM 1304 CB PRO A 92 13.185 7.085 16.233 1.00 0.00 C ATOM 1305 CG PRO A 92 13.328 5.652 15.858 1.00 0.00 C ATOM 1306 CD PRO A 92 13.878 5.644 14.458 1.00 0.00 C ATOM 0 HA PRO A 92 11.766 7.957 14.785 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.108 7.475 16.662 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.403 7.222 16.980 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.998 5.134 16.544 1.00 0.00 H new ATOM 0 HG3 PRO A 92 12.367 5.139 15.903 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.966 5.586 14.454 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.511 4.791 13.887 1.00 0.00 H new ATOM 1314 N SER A 93 14.737 9.261 14.577 1.00 0.00 N ATOM 1315 CA SER A 93 15.444 10.535 14.515 1.00 0.00 C ATOM 1316 C SER A 93 16.745 10.398 13.729 1.00 0.00 C ATOM 1317 O SER A 93 17.490 9.434 13.906 1.00 0.00 O ATOM 1318 CB SER A 93 15.738 11.048 15.926 1.00 0.00 C ATOM 1319 OG SER A 93 15.593 12.456 15.997 1.00 0.00 O ATOM 0 H SER A 93 15.312 8.448 14.355 1.00 0.00 H new ATOM 0 HA SER A 93 14.804 11.253 14.001 1.00 0.00 H new ATOM 0 HB2 SER A 93 15.062 10.573 16.637 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.751 10.769 16.214 1.00 0.00 H new ATOM 0 HG SER A 93 15.785 12.759 16.909 1.00 0.00 H new ATOM 1325 N SER A 94 17.012 11.369 12.862 1.00 0.00 N ATOM 1326 CA SER A 94 18.222 11.357 12.049 1.00 0.00 C ATOM 1327 C SER A 94 19.066 12.600 12.311 1.00 0.00 C ATOM 1328 O SER A 94 18.850 13.648 11.703 1.00 0.00 O ATOM 1329 CB SER A 94 17.864 11.274 10.564 1.00 0.00 C ATOM 1330 OG SER A 94 18.764 10.428 9.869 1.00 0.00 O ATOM 0 H SER A 94 16.406 12.174 12.704 1.00 0.00 H new ATOM 0 HA SER A 94 18.805 10.478 12.325 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.847 10.898 10.452 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.885 12.272 10.125 1.00 0.00 H new ATOM 0 HG SER A 94 18.513 10.390 8.922 1.00 0.00 H new ATOM 1336 N GLY A 95 20.029 12.475 13.220 1.00 0.00 N ATOM 1337 CA GLY A 95 20.890 13.597 13.546 1.00 0.00 C ATOM 1338 C GLY A 95 21.164 13.705 15.033 1.00 0.00 C ATOM 1339 O GLY A 95 21.284 14.844 15.533 1.00 0.00 O ATOM 1340 OXT GLY A 95 21.257 12.653 15.698 1.00 0.00 O ATOM 0 H GLY A 95 20.228 11.618 13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.835 13.493 13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 95 20.427 14.520 13.197 1.00 0.00 H new TER 1344 GLY A 95