USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 33 GLN : amide:sc= 0.383 K(o=1.5,f=-4.8!) USER MOD Set 1.2: A 65 SER OG : rot -172:sc= 1.17 USER MOD Set 2.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 GLN : amide:sc= -0.0755 X(o=-0.075,f=-0.12) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0612) USER MOD Single : A 13 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 17 THR OG1 : rot 175:sc= 0.849 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00754 USER MOD Single : A 28 TYR OH : rot 46:sc= 0.422 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 92:sc= 0.966 USER MOD Single : A 39 ASN : amide:sc= 0.576 K(o=0.58,f=-1.7) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc=-0.00848 (180deg=-0.117) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 1.3 (180deg=1.23) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= 1.82 (180deg=1.18) USER MOD Single : A 73 TYR OH : rot 0:sc= -0.0123 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 97:sc= 1.97 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 11:sc= 0.734 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.563 9.811 0.524 1.00 0.00 N ATOM 20 CA SER A 2 -8.659 9.108 1.381 1.00 0.00 C ATOM 21 C SER A 2 -9.362 8.306 2.421 1.00 0.00 C ATOM 22 O SER A 2 -8.906 7.243 2.839 1.00 0.00 O ATOM 23 CB SER A 2 -7.674 10.084 2.047 1.00 0.00 C ATOM 24 OG SER A 2 -6.553 9.421 2.612 1.00 0.00 O ATOM 0 HA SER A 2 -8.109 8.411 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.330 10.809 1.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.192 10.644 2.826 1.00 0.00 H new ATOM 0 HG SER A 2 -5.955 10.081 3.022 1.00 0.00 H new ATOM 30 N GLN A 3 -10.557 8.722 2.877 1.00 0.00 N ATOM 31 CA GLN A 3 -11.316 7.971 3.828 1.00 0.00 C ATOM 32 C GLN A 3 -11.697 6.595 3.401 1.00 0.00 C ATOM 33 O GLN A 3 -11.555 5.615 4.131 1.00 0.00 O ATOM 34 CB GLN A 3 -12.578 8.747 4.240 1.00 0.00 C ATOM 35 CG GLN A 3 -13.323 8.133 5.427 1.00 0.00 C ATOM 36 CD GLN A 3 -14.444 9.058 5.882 1.00 0.00 C ATOM 37 OE1 GLN A 3 -15.282 9.477 5.085 1.00 0.00 O ATOM 38 NE2 GLN A 3 -14.456 9.407 7.196 1.00 0.00 N ATOM 0 H GLN A 3 -11.002 9.591 2.582 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.641 7.839 4.674 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -12.298 9.771 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.255 8.800 3.387 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.734 7.163 5.145 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.630 7.958 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.744 9.040 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -15.177 10.036 7.550 1.00 0.00 H new ATOM 47 N LEU A 4 -12.147 6.448 2.142 1.00 0.00 N ATOM 48 CA LEU A 4 -12.485 5.186 1.560 1.00 0.00 C ATOM 49 C LEU A 4 -11.286 4.309 1.448 1.00 0.00 C ATOM 50 O LEU A 4 -11.307 3.118 1.755 1.00 0.00 O ATOM 51 CB LEU A 4 -12.985 5.324 0.112 1.00 0.00 C ATOM 52 CG LEU A 4 -13.375 3.976 -0.518 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.420 3.192 0.294 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.929 4.231 -1.930 1.00 0.00 C ATOM 0 H LEU A 4 -12.280 7.235 1.507 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.254 4.775 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.847 5.991 0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.207 5.790 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.473 3.365 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.645 2.253 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.026 2.983 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.331 3.784 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.209 3.282 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.805 4.876 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.165 4.716 -2.538 1.00 0.00 H new ATOM 66 N PHE A 5 -10.173 4.929 1.017 1.00 0.00 N ATOM 67 CA PHE A 5 -8.874 4.345 0.883 1.00 0.00 C ATOM 68 C PHE A 5 -8.461 3.647 2.133 1.00 0.00 C ATOM 69 O PHE A 5 -7.923 2.542 2.080 1.00 0.00 O ATOM 70 CB PHE A 5 -7.945 5.445 0.344 1.00 0.00 C ATOM 71 CG PHE A 5 -6.523 5.374 0.784 1.00 0.00 C ATOM 72 CD1 PHE A 5 -6.158 5.743 2.057 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.566 4.884 -0.074 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.881 5.526 2.517 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.286 4.655 0.371 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.957 4.957 1.672 1.00 0.00 C ATOM 0 H PHE A 5 -10.183 5.911 0.742 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.841 3.530 0.160 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.969 5.412 -0.745 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.349 6.412 0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.885 6.210 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.822 4.678 -1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.608 5.798 3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.544 4.241 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.962 4.745 2.034 1.00 0.00 H new ATOM 86 N GLU A 6 -8.779 4.208 3.314 1.00 0.00 N ATOM 87 CA GLU A 6 -8.484 3.615 4.581 1.00 0.00 C ATOM 88 C GLU A 6 -9.364 2.452 4.888 1.00 0.00 C ATOM 89 O GLU A 6 -8.877 1.385 5.258 1.00 0.00 O ATOM 90 CB GLU A 6 -8.588 4.619 5.742 1.00 0.00 C ATOM 91 CG GLU A 6 -7.369 5.540 5.815 1.00 0.00 C ATOM 92 CD GLU A 6 -7.498 6.504 6.985 1.00 0.00 C ATOM 93 OE1 GLU A 6 -8.440 7.340 6.970 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.683 6.421 7.944 1.00 0.00 O ATOM 0 H GLU A 6 -9.258 5.105 3.389 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.453 3.273 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.489 5.220 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.689 4.077 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.462 4.945 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.272 6.099 4.884 1.00 0.00 H new ATOM 101 N GLU A 7 -10.687 2.610 4.704 1.00 0.00 N ATOM 102 CA GLU A 7 -11.687 1.607 4.898 1.00 0.00 C ATOM 103 C GLU A 7 -11.423 0.367 4.115 1.00 0.00 C ATOM 104 O GLU A 7 -11.543 -0.755 4.603 1.00 0.00 O ATOM 105 CB GLU A 7 -13.060 2.212 4.562 1.00 0.00 C ATOM 106 CG GLU A 7 -14.230 1.231 4.454 1.00 0.00 C ATOM 107 CD GLU A 7 -15.584 1.925 4.449 1.00 0.00 C ATOM 108 OE1 GLU A 7 -15.946 2.555 5.480 1.00 0.00 O ATOM 109 OE2 GLU A 7 -16.325 1.821 3.435 1.00 0.00 O ATOM 0 H GLU A 7 -11.083 3.499 4.399 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.668 1.295 5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.303 2.951 5.326 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.975 2.747 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.124 0.645 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.189 0.531 5.288 1.00 0.00 H new ATOM 116 N LYS A 8 -10.981 0.539 2.857 1.00 0.00 N ATOM 117 CA LYS A 8 -10.543 -0.517 1.997 1.00 0.00 C ATOM 118 C LYS A 8 -9.177 -1.021 2.313 1.00 0.00 C ATOM 119 O LYS A 8 -8.954 -2.231 2.340 1.00 0.00 O ATOM 120 CB LYS A 8 -10.572 -0.061 0.529 1.00 0.00 C ATOM 121 CG LYS A 8 -11.948 0.303 -0.034 1.00 0.00 C ATOM 122 CD LYS A 8 -13.037 -0.737 0.237 1.00 0.00 C ATOM 123 CE LYS A 8 -14.053 -0.860 -0.901 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.226 -1.650 -0.463 1.00 0.00 N ATOM 0 H LYS A 8 -10.926 1.458 2.418 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.240 -1.338 2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.918 0.805 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.148 -0.855 -0.086 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.260 1.257 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.860 0.447 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.570 -1.707 0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.561 -0.473 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.373 0.132 -1.220 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.587 -1.337 -1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.906 -1.725 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.917 -2.602 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.679 -1.179 0.346 1.00 0.00 H new ATOM 138 N ALA A 9 -8.169 -0.165 2.553 1.00 0.00 N ATOM 139 CA ALA A 9 -6.811 -0.609 2.605 1.00 0.00 C ATOM 140 C ALA A 9 -6.472 -1.449 3.788 1.00 0.00 C ATOM 141 O ALA A 9 -5.777 -2.462 3.722 1.00 0.00 O ATOM 142 CB ALA A 9 -5.830 0.575 2.655 1.00 0.00 C ATOM 0 H ALA A 9 -8.294 0.835 2.711 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.714 -1.203 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.808 0.199 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.957 1.190 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.030 1.176 3.542 1.00 0.00 H new ATOM 148 N LYS A 10 -7.007 -1.032 4.949 1.00 0.00 N ATOM 149 CA LYS A 10 -6.890 -1.726 6.195 1.00 0.00 C ATOM 150 C LYS A 10 -7.588 -3.043 6.203 1.00 0.00 C ATOM 151 O LYS A 10 -7.312 -3.876 7.064 1.00 0.00 O ATOM 152 CB LYS A 10 -7.458 -0.792 7.277 1.00 0.00 C ATOM 153 CG LYS A 10 -6.617 0.452 7.568 1.00 0.00 C ATOM 154 CD LYS A 10 -5.229 0.210 8.165 1.00 0.00 C ATOM 155 CE LYS A 10 -5.174 -0.276 9.614 1.00 0.00 C ATOM 156 NZ LYS A 10 -5.765 0.719 10.537 1.00 0.00 N ATOM 0 H LYS A 10 -7.547 -0.170 5.023 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.842 -1.964 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.455 -0.474 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.572 -1.359 8.201 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.497 1.008 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.176 1.090 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.715 -0.522 7.542 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.664 1.140 8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.709 -1.221 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.139 -0.468 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.608 0.417 11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.317 1.645 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.787 0.795 10.358 1.00 0.00 H new ATOM 170 N ALA A 11 -8.485 -3.293 5.233 1.00 0.00 N ATOM 171 CA ALA A 11 -8.988 -4.590 4.904 1.00 0.00 C ATOM 172 C ALA A 11 -8.026 -5.359 4.064 1.00 0.00 C ATOM 173 O ALA A 11 -7.612 -6.446 4.463 1.00 0.00 O ATOM 174 CB ALA A 11 -10.346 -4.515 4.187 1.00 0.00 C ATOM 0 H ALA A 11 -8.878 -2.554 4.650 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.123 -5.112 5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.691 -5.523 3.955 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.072 -4.022 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.239 -3.947 3.263 1.00 0.00 H new ATOM 180 N VAL A 12 -7.585 -4.866 2.893 1.00 0.00 N ATOM 181 CA VAL A 12 -6.814 -5.616 1.950 1.00 0.00 C ATOM 182 C VAL A 12 -5.487 -6.049 2.474 1.00 0.00 C ATOM 183 O VAL A 12 -4.961 -7.082 2.063 1.00 0.00 O ATOM 184 CB VAL A 12 -6.692 -5.015 0.581 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.104 -4.653 0.089 1.00 0.00 C ATOM 186 CG2 VAL A 12 -5.732 -3.815 0.528 1.00 0.00 C ATOM 0 H VAL A 12 -7.772 -3.910 2.591 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.423 -6.510 1.812 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.244 -5.751 -0.087 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.041 -4.213 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.718 -5.553 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.555 -3.936 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.690 -3.428 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.089 -3.034 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.736 -4.132 0.837 1.00 0.00 H new ATOM 196 N ASN A 13 -4.931 -5.343 3.474 1.00 0.00 N ATOM 197 CA ASN A 13 -3.730 -5.787 4.110 1.00 0.00 C ATOM 198 C ASN A 13 -3.891 -7.003 4.956 1.00 0.00 C ATOM 199 O ASN A 13 -2.904 -7.678 5.243 1.00 0.00 O ATOM 200 CB ASN A 13 -3.087 -4.671 4.952 1.00 0.00 C ATOM 201 CG ASN A 13 -2.308 -3.683 4.097 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.086 -3.773 3.986 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.998 -2.675 3.499 1.00 0.00 N ATOM 0 H ASN A 13 -5.310 -4.470 3.841 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.075 -6.058 3.282 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.864 -4.140 5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.420 -5.114 5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.502 -1.976 2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.011 -2.618 3.603 1.00 0.00 H new ATOM 210 N GLU A 14 -5.120 -7.359 5.374 1.00 0.00 N ATOM 211 CA GLU A 14 -5.380 -8.470 6.237 1.00 0.00 C ATOM 212 C GLU A 14 -6.344 -9.458 5.677 1.00 0.00 C ATOM 213 O GLU A 14 -6.778 -10.357 6.396 1.00 0.00 O ATOM 214 CB GLU A 14 -5.931 -8.000 7.594 1.00 0.00 C ATOM 215 CG GLU A 14 -7.295 -7.311 7.529 1.00 0.00 C ATOM 216 CD GLU A 14 -7.920 -7.126 8.905 1.00 0.00 C ATOM 217 OE1 GLU A 14 -7.318 -6.422 9.759 1.00 0.00 O ATOM 218 OE2 GLU A 14 -9.017 -7.696 9.150 1.00 0.00 O ATOM 0 H GLU A 14 -5.963 -6.854 5.101 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.414 -8.961 6.351 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.006 -8.861 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.214 -7.313 8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.185 -6.338 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.967 -7.900 6.904 1.00 0.00 H new ATOM 225 N LEU A 15 -6.736 -9.357 4.395 1.00 0.00 N ATOM 226 CA LEU A 15 -7.783 -10.137 3.810 1.00 0.00 C ATOM 227 C LEU A 15 -7.491 -11.598 3.794 1.00 0.00 C ATOM 228 O LEU A 15 -6.330 -11.990 3.683 1.00 0.00 O ATOM 229 CB LEU A 15 -8.112 -9.608 2.405 1.00 0.00 C ATOM 230 CG LEU A 15 -9.224 -8.545 2.346 1.00 0.00 C ATOM 231 CD1 LEU A 15 -9.443 -8.042 0.909 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.599 -8.981 2.880 1.00 0.00 C ATOM 0 H LEU A 15 -6.306 -8.705 3.739 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.662 -10.025 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.205 -9.186 1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.403 -10.450 1.777 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.846 -7.765 3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.235 -7.293 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.520 -7.599 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.729 -8.878 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.303 -8.154 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.961 -9.831 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.508 -9.267 3.928 1.00 0.00 H new ATOM 244 N PRO A 16 -8.451 -12.465 3.926 1.00 0.00 N ATOM 245 CA PRO A 16 -8.229 -13.864 4.150 1.00 0.00 C ATOM 246 C PRO A 16 -7.800 -14.551 2.900 1.00 0.00 C ATOM 247 O PRO A 16 -7.225 -15.636 2.965 1.00 0.00 O ATOM 248 CB PRO A 16 -9.605 -14.388 4.553 1.00 0.00 C ATOM 249 CG PRO A 16 -10.588 -13.507 3.763 1.00 0.00 C ATOM 250 CD PRO A 16 -9.860 -12.154 3.738 1.00 0.00 C ATOM 0 HA PRO A 16 -7.450 -14.038 4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.721 -15.441 4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.766 -14.300 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.765 -13.893 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.559 -13.438 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.025 -11.638 2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.225 -11.497 4.528 1.00 0.00 H new ATOM 258 N THR A 17 -8.099 -13.918 1.751 1.00 0.00 N ATOM 259 CA THR A 17 -7.818 -14.342 0.415 1.00 0.00 C ATOM 260 C THR A 17 -6.838 -13.290 0.021 1.00 0.00 C ATOM 261 O THR A 17 -7.167 -12.297 -0.627 1.00 0.00 O ATOM 262 CB THR A 17 -9.041 -14.337 -0.454 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.978 -15.298 0.010 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.749 -14.690 -1.923 1.00 0.00 C ATOM 0 H THR A 17 -8.585 -13.021 1.762 1.00 0.00 H new ATOM 0 HA THR A 17 -7.457 -15.366 0.322 1.00 0.00 H new ATOM 0 HB THR A 17 -9.427 -13.319 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.801 -15.234 -0.519 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.677 -14.668 -2.494 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.049 -13.965 -2.339 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.313 -15.688 -1.978 1.00 0.00 H new ATOM 272 N LYS A 18 -5.608 -13.425 0.546 1.00 0.00 N ATOM 273 CA LYS A 18 -4.602 -12.410 0.590 1.00 0.00 C ATOM 274 C LYS A 18 -4.191 -11.802 -0.706 1.00 0.00 C ATOM 275 O LYS A 18 -4.315 -12.460 -1.738 1.00 0.00 O ATOM 276 CB LYS A 18 -3.342 -12.973 1.268 1.00 0.00 C ATOM 277 CG LYS A 18 -3.537 -13.312 2.747 1.00 0.00 C ATOM 278 CD LYS A 18 -2.258 -13.899 3.347 1.00 0.00 C ATOM 279 CE LYS A 18 -2.361 -14.136 4.855 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.117 -14.721 5.400 1.00 0.00 N ATOM 0 H LYS A 18 -5.296 -14.300 0.967 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.076 -11.602 1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.026 -13.871 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.535 -12.246 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.822 -12.414 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.355 -14.025 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.030 -14.842 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.426 -13.224 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.571 -13.193 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.199 -14.802 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.222 -14.868 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.930 -15.633 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.322 -14.074 5.223 1.00 0.00 H new ATOM 294 N PRO A 19 -3.650 -10.620 -0.750 1.00 0.00 N ATOM 295 CA PRO A 19 -3.174 -10.009 -1.957 1.00 0.00 C ATOM 296 C PRO A 19 -2.106 -10.786 -2.646 1.00 0.00 C ATOM 297 O PRO A 19 -1.187 -11.257 -1.979 1.00 0.00 O ATOM 298 CB PRO A 19 -2.627 -8.651 -1.524 1.00 0.00 C ATOM 299 CG PRO A 19 -3.520 -8.282 -0.328 1.00 0.00 C ATOM 300 CD PRO A 19 -3.743 -9.652 0.332 1.00 0.00 C ATOM 0 HA PRO A 19 -3.986 -9.945 -2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.577 -8.711 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.699 -7.914 -2.324 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.031 -7.578 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.457 -7.823 -0.643 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.993 -9.846 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.717 -9.700 0.820 1.00 0.00 H new ATOM 308 N SER A 20 -2.170 -10.973 -3.977 1.00 0.00 N ATOM 309 CA SER A 20 -1.239 -11.754 -4.730 1.00 0.00 C ATOM 310 C SER A 20 0.016 -11.013 -5.046 1.00 0.00 C ATOM 311 O SER A 20 0.088 -9.796 -4.881 1.00 0.00 O ATOM 312 CB SER A 20 -1.908 -12.278 -6.012 1.00 0.00 C ATOM 313 OG SER A 20 -1.102 -13.177 -6.760 1.00 0.00 O ATOM 0 H SER A 20 -2.904 -10.561 -4.553 1.00 0.00 H new ATOM 0 HA SER A 20 -0.945 -12.598 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.839 -12.778 -5.745 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.171 -11.430 -6.645 1.00 0.00 H new ATOM 0 HG SER A 20 -1.591 -13.469 -7.557 1.00 0.00 H new ATOM 319 N THR A 21 1.078 -11.701 -5.500 1.00 0.00 N ATOM 320 CA THR A 21 2.444 -11.280 -5.565 1.00 0.00 C ATOM 321 C THR A 21 2.727 -9.974 -6.224 1.00 0.00 C ATOM 322 O THR A 21 3.273 -9.068 -5.597 1.00 0.00 O ATOM 323 CB THR A 21 3.328 -12.317 -6.190 1.00 0.00 C ATOM 324 OG1 THR A 21 3.088 -13.589 -5.603 1.00 0.00 O ATOM 325 CG2 THR A 21 4.823 -12.024 -5.981 1.00 0.00 C ATOM 0 H THR A 21 0.966 -12.650 -5.858 1.00 0.00 H new ATOM 0 HA THR A 21 2.671 -11.138 -4.508 1.00 0.00 H new ATOM 0 HB THR A 21 3.093 -12.303 -7.254 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.670 -14.257 -6.021 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.417 -12.806 -6.454 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.071 -11.061 -6.427 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.043 -11.997 -4.914 1.00 0.00 H new ATOM 333 N ASP A 22 2.368 -9.806 -7.509 1.00 0.00 N ATOM 334 CA ASP A 22 2.530 -8.587 -8.239 1.00 0.00 C ATOM 335 C ASP A 22 1.597 -7.518 -7.781 1.00 0.00 C ATOM 336 O ASP A 22 1.873 -6.324 -7.887 1.00 0.00 O ATOM 337 CB ASP A 22 2.299 -8.815 -9.742 1.00 0.00 C ATOM 338 CG ASP A 22 3.473 -9.522 -10.402 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.533 -8.868 -10.595 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.341 -10.724 -10.760 1.00 0.00 O ATOM 0 H ASP A 22 1.947 -10.552 -8.063 1.00 0.00 H new ATOM 0 HA ASP A 22 3.554 -8.260 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.394 -9.407 -9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.132 -7.856 -10.232 1.00 0.00 H new ATOM 345 N GLU A 23 0.434 -7.903 -7.227 1.00 0.00 N ATOM 346 CA GLU A 23 -0.597 -6.998 -6.823 1.00 0.00 C ATOM 347 C GLU A 23 -0.275 -6.339 -5.527 1.00 0.00 C ATOM 348 O GLU A 23 -0.440 -5.129 -5.383 1.00 0.00 O ATOM 349 CB GLU A 23 -1.967 -7.698 -6.836 1.00 0.00 C ATOM 350 CG GLU A 23 -2.156 -8.505 -8.122 1.00 0.00 C ATOM 351 CD GLU A 23 -3.584 -8.638 -8.632 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.470 -9.204 -7.936 1.00 0.00 O ATOM 353 OE2 GLU A 23 -3.815 -8.214 -9.795 1.00 0.00 O ATOM 0 H GLU A 23 0.203 -8.881 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.656 -6.188 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.051 -8.358 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.760 -6.955 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.554 -8.045 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.756 -9.506 -7.959 1.00 0.00 H new ATOM 360 N LEU A 24 0.272 -7.091 -4.554 1.00 0.00 N ATOM 361 CA LEU A 24 0.816 -6.678 -3.298 1.00 0.00 C ATOM 362 C LEU A 24 1.741 -5.511 -3.351 1.00 0.00 C ATOM 363 O LEU A 24 1.599 -4.571 -2.570 1.00 0.00 O ATOM 364 CB LEU A 24 1.565 -7.891 -2.720 1.00 0.00 C ATOM 365 CG LEU A 24 2.082 -7.758 -1.277 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.912 -7.643 -0.287 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.949 -8.984 -0.946 1.00 0.00 C ATOM 0 H LEU A 24 0.338 -8.103 -4.664 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.017 -6.341 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.901 -8.755 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.415 -8.107 -3.368 1.00 0.00 H new ATOM 0 HG LEU A 24 2.680 -6.851 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.301 -7.550 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.316 -6.763 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.288 -8.534 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.322 -8.901 0.075 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.350 -9.890 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.791 -9.031 -1.637 1.00 0.00 H new ATOM 379 N LEU A 25 2.698 -5.500 -4.297 1.00 0.00 N ATOM 380 CA LEU A 25 3.552 -4.403 -4.630 1.00 0.00 C ATOM 381 C LEU A 25 2.855 -3.099 -4.818 1.00 0.00 C ATOM 382 O LEU A 25 3.156 -2.098 -4.170 1.00 0.00 O ATOM 383 CB LEU A 25 4.275 -4.697 -5.955 1.00 0.00 C ATOM 384 CG LEU A 25 5.235 -5.899 -5.917 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.663 -6.259 -7.349 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.475 -5.575 -5.067 1.00 0.00 C ATOM 0 H LEU A 25 2.887 -6.321 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 25 4.224 -4.308 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.527 -4.872 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.837 -3.811 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 25 4.719 -6.747 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.343 -7.110 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.783 -6.516 -7.938 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.167 -5.406 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.142 -6.437 -5.052 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.997 -4.720 -5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.166 -5.338 -4.049 1.00 0.00 H new ATOM 398 N GLU A 26 1.867 -3.077 -5.731 1.00 0.00 N ATOM 399 CA GLU A 26 1.121 -1.912 -6.089 1.00 0.00 C ATOM 400 C GLU A 26 0.163 -1.507 -5.021 1.00 0.00 C ATOM 401 O GLU A 26 0.015 -0.323 -4.723 1.00 0.00 O ATOM 402 CB GLU A 26 0.429 -2.142 -7.443 1.00 0.00 C ATOM 403 CG GLU A 26 1.461 -2.453 -8.530 1.00 0.00 C ATOM 404 CD GLU A 26 0.920 -2.558 -9.949 1.00 0.00 C ATOM 405 OE1 GLU A 26 -0.320 -2.515 -10.169 1.00 0.00 O ATOM 406 OE2 GLU A 26 1.761 -2.683 -10.879 1.00 0.00 O ATOM 0 H GLU A 26 1.576 -3.910 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 26 1.810 -1.074 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.279 -2.966 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.143 -1.257 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.226 -1.677 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.953 -3.393 -8.279 1.00 0.00 H new ATOM 413 N LEU A 27 -0.480 -2.479 -4.350 1.00 0.00 N ATOM 414 CA LEU A 27 -1.380 -2.254 -3.261 1.00 0.00 C ATOM 415 C LEU A 27 -0.698 -1.708 -2.055 1.00 0.00 C ATOM 416 O LEU A 27 -1.256 -0.850 -1.374 1.00 0.00 O ATOM 417 CB LEU A 27 -2.161 -3.531 -2.907 1.00 0.00 C ATOM 418 CG LEU A 27 -3.479 -3.755 -3.668 1.00 0.00 C ATOM 419 CD1 LEU A 27 -3.369 -3.554 -5.189 1.00 0.00 C ATOM 420 CD2 LEU A 27 -4.031 -5.149 -3.325 1.00 0.00 C ATOM 0 H LEU A 27 -0.367 -3.467 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.087 -1.497 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.513 -4.389 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.381 -3.513 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.175 -2.985 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.341 -3.731 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.048 -2.534 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.641 -4.255 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.965 -5.313 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.307 -5.909 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.213 -5.214 -2.252 1.00 0.00 H new ATOM 432 N TYR A 28 0.546 -2.131 -1.764 1.00 0.00 N ATOM 433 CA TYR A 28 1.440 -1.500 -0.844 1.00 0.00 C ATOM 434 C TYR A 28 1.736 -0.103 -1.269 1.00 0.00 C ATOM 435 O TYR A 28 1.485 0.821 -0.496 1.00 0.00 O ATOM 436 CB TYR A 28 2.747 -2.297 -0.684 1.00 0.00 C ATOM 437 CG TYR A 28 3.845 -1.648 0.086 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.710 -0.795 -0.559 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.087 -1.953 1.405 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.775 -0.223 0.095 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.191 -1.448 2.049 1.00 0.00 C ATOM 442 CZ TYR A 28 6.035 -0.581 1.397 1.00 0.00 C ATOM 443 OH TYR A 28 7.164 -0.052 2.058 1.00 0.00 O ATOM 0 H TYR A 28 0.950 -2.962 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 28 0.943 -1.475 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.509 -3.245 -0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.124 -2.532 -1.679 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.549 -0.570 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.403 -2.595 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.401 0.499 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.396 -1.733 3.070 1.00 0.00 H new ATOM 0 HH TYR A 28 7.213 0.914 1.900 1.00 0.00 H new ATOM 453 N ALA A 29 2.273 0.115 -2.483 1.00 0.00 N ATOM 454 CA ALA A 29 2.734 1.380 -2.965 1.00 0.00 C ATOM 455 C ALA A 29 1.750 2.482 -2.782 1.00 0.00 C ATOM 456 O ALA A 29 2.050 3.494 -2.149 1.00 0.00 O ATOM 457 CB ALA A 29 3.148 1.250 -4.440 1.00 0.00 C ATOM 0 H ALA A 29 2.392 -0.634 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 29 3.598 1.657 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.499 2.215 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.948 0.515 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.291 0.928 -5.031 1.00 0.00 H new ATOM 463 N LEU A 30 0.504 2.298 -3.256 1.00 0.00 N ATOM 464 CA LEU A 30 -0.546 3.246 -3.049 1.00 0.00 C ATOM 465 C LEU A 30 -1.004 3.399 -1.639 1.00 0.00 C ATOM 466 O LEU A 30 -1.273 4.508 -1.180 1.00 0.00 O ATOM 467 CB LEU A 30 -1.806 2.866 -3.844 1.00 0.00 C ATOM 468 CG LEU A 30 -1.752 3.203 -5.344 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.266 2.041 -6.226 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.192 3.555 -5.753 1.00 0.00 C ATOM 0 H LEU A 30 0.222 1.477 -3.792 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.092 4.181 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.979 1.796 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.663 3.375 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.039 4.014 -5.491 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.255 2.356 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.259 1.751 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.938 1.191 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.218 3.805 -6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.843 2.701 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.537 4.409 -5.170 1.00 0.00 H new ATOM 482 N TYR A 31 -1.121 2.290 -0.886 1.00 0.00 N ATOM 483 CA TYR A 31 -1.464 2.311 0.501 1.00 0.00 C ATOM 484 C TYR A 31 -0.501 3.144 1.275 1.00 0.00 C ATOM 485 O TYR A 31 -0.854 4.095 1.972 1.00 0.00 O ATOM 486 CB TYR A 31 -1.589 0.889 1.073 1.00 0.00 C ATOM 487 CG TYR A 31 -1.867 0.912 2.537 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.909 1.647 3.051 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.969 0.318 3.393 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.088 1.751 4.410 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.121 0.454 4.752 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.167 1.186 5.262 1.00 0.00 C ATOM 493 OH TYR A 31 -2.229 1.451 6.646 1.00 0.00 O ATOM 0 H TYR A 31 -0.972 1.351 -1.254 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.446 2.775 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.389 0.357 0.558 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.668 0.338 0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.593 2.147 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.144 -0.256 2.997 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.946 2.273 4.807 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.416 -0.016 5.422 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.506 0.973 7.103 1.00 0.00 H new ATOM 503 N LYS A 32 0.811 2.879 1.150 1.00 0.00 N ATOM 504 CA LYS A 32 1.847 3.690 1.711 1.00 0.00 C ATOM 505 C LYS A 32 1.807 5.105 1.245 1.00 0.00 C ATOM 506 O LYS A 32 1.958 6.012 2.062 1.00 0.00 O ATOM 507 CB LYS A 32 3.203 2.991 1.520 1.00 0.00 C ATOM 508 CG LYS A 32 3.292 1.586 2.119 1.00 0.00 C ATOM 509 CD LYS A 32 2.831 1.416 3.568 1.00 0.00 C ATOM 510 CE LYS A 32 3.510 2.391 4.532 1.00 0.00 C ATOM 511 NZ LYS A 32 3.286 1.965 5.931 1.00 0.00 N ATOM 0 H LYS A 32 1.164 2.070 0.639 1.00 0.00 H new ATOM 0 HA LYS A 32 1.678 3.783 2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.417 2.930 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.981 3.611 1.966 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.702 0.914 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.328 1.255 2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.751 1.557 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.034 0.395 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.579 2.434 4.324 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.115 3.396 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.752 2.634 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.265 1.946 6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.684 1.014 6.072 1.00 0.00 H new ATOM 525 N GLN A 33 1.494 5.372 -0.036 1.00 0.00 N ATOM 526 CA GLN A 33 1.391 6.695 -0.572 1.00 0.00 C ATOM 527 C GLN A 33 0.431 7.582 0.143 1.00 0.00 C ATOM 528 O GLN A 33 0.810 8.644 0.634 1.00 0.00 O ATOM 529 CB GLN A 33 0.990 6.720 -2.056 1.00 0.00 C ATOM 530 CG GLN A 33 2.174 6.445 -2.985 1.00 0.00 C ATOM 531 CD GLN A 33 1.778 5.807 -4.310 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.737 6.099 -4.895 1.00 0.00 O ATOM 533 NE2 GLN A 33 2.644 4.899 -4.834 1.00 0.00 N ATOM 0 H GLN A 33 1.306 4.642 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 33 2.404 7.075 -0.437 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.213 5.976 -2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.561 7.692 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.693 7.382 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.881 5.791 -2.474 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.504 4.668 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.434 4.449 -5.725 1.00 0.00 H new ATOM 542 N ALA A 34 -0.851 7.185 0.239 1.00 0.00 N ATOM 543 CA ALA A 34 -1.861 8.011 0.823 1.00 0.00 C ATOM 544 C ALA A 34 -1.999 7.806 2.292 1.00 0.00 C ATOM 545 O ALA A 34 -2.626 8.622 2.965 1.00 0.00 O ATOM 546 CB ALA A 34 -3.210 7.906 0.090 1.00 0.00 C ATOM 0 H ALA A 34 -1.190 6.282 -0.092 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.517 9.037 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.940 8.554 0.576 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.085 8.215 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.562 6.875 0.122 1.00 0.00 H new ATOM 552 N THR A 35 -1.370 6.774 2.882 1.00 0.00 N ATOM 553 CA THR A 35 -1.259 6.674 4.304 1.00 0.00 C ATOM 554 C THR A 35 -0.436 7.791 4.847 1.00 0.00 C ATOM 555 O THR A 35 -0.901 8.592 5.654 1.00 0.00 O ATOM 556 CB THR A 35 -0.678 5.387 4.809 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.559 4.318 4.496 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.608 5.387 6.344 1.00 0.00 C ATOM 0 H THR A 35 -0.936 6.005 2.371 1.00 0.00 H new ATOM 0 HA THR A 35 -2.290 6.720 4.655 1.00 0.00 H new ATOM 0 HB THR A 35 0.308 5.279 4.356 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.312 3.933 3.629 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.184 4.444 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.020 6.212 6.680 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.611 5.505 6.754 1.00 0.00 H new ATOM 566 N VAL A 36 0.832 7.908 4.412 1.00 0.00 N ATOM 567 CA VAL A 36 1.685 8.964 4.860 1.00 0.00 C ATOM 568 C VAL A 36 1.556 10.199 4.036 1.00 0.00 C ATOM 569 O VAL A 36 1.166 11.245 4.551 1.00 0.00 O ATOM 570 CB VAL A 36 3.104 8.533 5.086 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.617 7.575 3.998 1.00 0.00 C ATOM 572 CG2 VAL A 36 4.060 9.711 5.343 1.00 0.00 C ATOM 0 H VAL A 36 1.267 7.268 3.747 1.00 0.00 H new ATOM 0 HA VAL A 36 1.321 9.237 5.851 1.00 0.00 H new ATOM 0 HB VAL A 36 3.092 7.957 6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.649 7.298 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.996 6.679 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.570 8.068 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.070 9.332 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.052 10.380 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.736 10.256 6.230 1.00 0.00 H new ATOM 582 N GLY A 37 1.860 10.120 2.728 1.00 0.00 N ATOM 583 CA GLY A 37 1.830 11.227 1.822 1.00 0.00 C ATOM 584 C GLY A 37 3.130 11.470 1.136 1.00 0.00 C ATOM 585 O GLY A 37 3.174 12.021 0.036 1.00 0.00 O ATOM 0 H GLY A 37 2.139 9.246 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.060 11.051 1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.543 12.126 2.368 1.00 0.00 H new ATOM 589 N ASP A 38 4.238 11.051 1.772 1.00 0.00 N ATOM 590 CA ASP A 38 5.558 11.052 1.222 1.00 0.00 C ATOM 591 C ASP A 38 6.013 9.633 1.243 1.00 0.00 C ATOM 592 O ASP A 38 5.293 8.758 1.723 1.00 0.00 O ATOM 593 CB ASP A 38 6.540 11.856 2.089 1.00 0.00 C ATOM 594 CG ASP A 38 6.107 13.290 2.357 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.105 14.141 1.427 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.831 13.599 3.547 1.00 0.00 O ATOM 0 H ASP A 38 4.210 10.691 2.726 1.00 0.00 H new ATOM 0 HA ASP A 38 5.536 11.496 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.669 11.343 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.514 11.868 1.599 1.00 0.00 H new ATOM 601 N ASN A 39 7.247 9.299 0.826 1.00 0.00 N ATOM 602 CA ASN A 39 7.921 8.198 1.441 1.00 0.00 C ATOM 603 C ASN A 39 8.271 8.455 2.867 1.00 0.00 C ATOM 604 O ASN A 39 8.932 9.436 3.202 1.00 0.00 O ATOM 605 CB ASN A 39 9.136 7.680 0.653 1.00 0.00 C ATOM 606 CG ASN A 39 10.331 8.623 0.685 1.00 0.00 C ATOM 607 OD1 ASN A 39 10.297 9.753 0.200 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.433 8.153 1.328 1.00 0.00 N ATOM 0 H ASN A 39 7.765 9.774 0.087 1.00 0.00 H new ATOM 0 HA ASN A 39 7.186 7.394 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.436 6.713 1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.842 7.514 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.261 8.742 1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.432 7.211 1.720 1.00 0.00 H new ATOM 615 N ASP A 40 7.840 7.580 3.794 1.00 0.00 N ATOM 616 CA ASP A 40 8.176 7.680 5.180 1.00 0.00 C ATOM 617 C ASP A 40 9.502 7.048 5.429 1.00 0.00 C ATOM 618 O ASP A 40 10.465 7.693 5.841 1.00 0.00 O ATOM 619 CB ASP A 40 7.060 7.049 6.031 1.00 0.00 C ATOM 620 CG ASP A 40 7.149 7.494 7.483 1.00 0.00 C ATOM 621 OD1 ASP A 40 6.699 8.629 7.796 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.663 6.709 8.325 1.00 0.00 O ATOM 0 H ASP A 40 7.243 6.783 3.574 1.00 0.00 H new ATOM 0 HA ASP A 40 8.257 8.728 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.088 7.327 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.130 5.963 5.977 1.00 0.00 H new ATOM 627 N LYS A 41 9.614 5.744 5.120 1.00 0.00 N ATOM 628 CA LYS A 41 10.820 4.977 5.182 1.00 0.00 C ATOM 629 C LYS A 41 11.632 5.245 3.963 1.00 0.00 C ATOM 630 O LYS A 41 11.119 5.728 2.954 1.00 0.00 O ATOM 631 CB LYS A 41 10.490 3.476 5.227 1.00 0.00 C ATOM 632 CG LYS A 41 9.663 3.066 6.447 1.00 0.00 C ATOM 633 CD LYS A 41 9.108 1.646 6.317 1.00 0.00 C ATOM 634 CE LYS A 41 7.580 1.564 6.310 1.00 0.00 C ATOM 635 NZ LYS A 41 7.033 1.747 7.673 1.00 0.00 N ATOM 0 H LYS A 41 8.815 5.192 4.808 1.00 0.00 H new ATOM 0 HA LYS A 41 11.372 5.257 6.079 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.946 3.205 4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.420 2.908 5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.281 3.132 7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.838 3.766 6.577 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.488 1.203 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.489 1.043 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.174 2.327 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.266 0.598 5.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.995 1.687 7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.404 1.004 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.315 2.679 8.038 1.00 0.00 H new ATOM 649 N GLU A 42 12.939 4.930 4.012 1.00 0.00 N ATOM 650 CA GLU A 42 13.776 4.904 2.853 1.00 0.00 C ATOM 651 C GLU A 42 14.734 3.768 2.950 1.00 0.00 C ATOM 652 O GLU A 42 15.768 3.682 2.291 1.00 0.00 O ATOM 653 CB GLU A 42 14.445 6.272 2.634 1.00 0.00 C ATOM 654 CG GLU A 42 14.922 6.474 1.194 1.00 0.00 C ATOM 655 CD GLU A 42 15.687 7.770 0.965 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.068 8.862 1.058 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.908 7.703 0.658 1.00 0.00 O ATOM 0 H GLU A 42 13.425 4.688 4.876 1.00 0.00 H new ATOM 0 HA GLU A 42 13.176 4.728 1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.740 7.062 2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.294 6.369 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.559 5.635 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.057 6.454 0.531 1.00 0.00 H new ATOM 664 N LYS A 43 14.389 2.783 3.800 1.00 0.00 N ATOM 665 CA LYS A 43 15.158 1.592 3.982 1.00 0.00 C ATOM 666 C LYS A 43 14.293 0.385 3.863 1.00 0.00 C ATOM 667 O LYS A 43 13.732 -0.080 4.854 1.00 0.00 O ATOM 668 CB LYS A 43 15.914 1.601 5.322 1.00 0.00 C ATOM 669 CG LYS A 43 16.993 0.520 5.416 1.00 0.00 C ATOM 670 CD LYS A 43 17.854 0.657 6.674 1.00 0.00 C ATOM 671 CE LYS A 43 18.950 -0.399 6.828 1.00 0.00 C ATOM 672 NZ LYS A 43 19.846 -0.399 5.649 1.00 0.00 N ATOM 0 H LYS A 43 13.549 2.817 4.378 1.00 0.00 H new ATOM 0 HA LYS A 43 15.906 1.558 3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.375 2.578 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.201 1.464 6.135 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.520 -0.462 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.632 0.572 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.319 1.643 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.203 0.613 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.528 -0.201 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.499 -1.384 6.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.649 -1.036 5.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.320 -0.725 4.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 20.199 0.565 5.481 1.00 0.00 H new ATOM 878 N TRP A 55 9.041 -1.223 -1.993 1.00 0.00 N ATOM 879 CA TRP A 55 9.479 0.097 -1.658 1.00 0.00 C ATOM 880 C TRP A 55 9.874 0.893 -2.854 1.00 0.00 C ATOM 881 O TRP A 55 9.623 2.095 -2.920 1.00 0.00 O ATOM 882 CB TRP A 55 10.600 -0.021 -0.611 1.00 0.00 C ATOM 883 CG TRP A 55 10.818 1.264 0.152 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.133 1.748 1.229 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.594 2.361 -0.367 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.287 3.107 1.308 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.189 3.495 0.346 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.511 2.437 -1.380 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.690 4.724 0.008 1.00 0.00 C ATOM 890 CZ3 TRP A 55 13.040 3.674 -1.667 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.625 4.800 -0.997 1.00 0.00 C ATOM 0 HA TRP A 55 8.649 0.658 -1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.355 -0.819 0.090 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.527 -0.307 -1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.555 1.148 1.917 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.814 3.725 1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.808 1.559 -1.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.358 5.615 0.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.796 3.762 -2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 55 13.040 5.760 -1.264 1.00 0.00 H new ATOM 902 N GLU A 56 10.448 0.273 -3.900 1.00 0.00 N ATOM 903 CA GLU A 56 10.811 0.929 -5.118 1.00 0.00 C ATOM 904 C GLU A 56 9.614 1.372 -5.887 1.00 0.00 C ATOM 905 O GLU A 56 9.593 2.444 -6.488 1.00 0.00 O ATOM 906 CB GLU A 56 11.707 0.029 -5.986 1.00 0.00 C ATOM 907 CG GLU A 56 12.199 0.706 -7.266 1.00 0.00 C ATOM 908 CD GLU A 56 13.230 -0.117 -8.027 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.391 -0.236 -7.550 1.00 0.00 O ATOM 910 OE2 GLU A 56 12.912 -0.588 -9.151 1.00 0.00 O ATOM 0 H GLU A 56 10.668 -0.723 -3.898 1.00 0.00 H new ATOM 0 HA GLU A 56 11.377 1.820 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.569 -0.287 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.154 -0.872 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.346 0.899 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.632 1.674 -7.013 1.00 0.00 H new ATOM 917 N ALA A 57 8.521 0.591 -5.826 1.00 0.00 N ATOM 918 CA ALA A 57 7.257 0.941 -6.399 1.00 0.00 C ATOM 919 C ALA A 57 6.601 2.089 -5.712 1.00 0.00 C ATOM 920 O ALA A 57 5.810 2.835 -6.287 1.00 0.00 O ATOM 921 CB ALA A 57 6.328 -0.284 -6.367 1.00 0.00 C ATOM 0 H ALA A 57 8.516 -0.317 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 57 7.445 1.256 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.364 -0.021 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.776 -1.096 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.184 -0.605 -5.335 1.00 0.00 H new ATOM 927 N TRP A 58 6.946 2.301 -4.429 1.00 0.00 N ATOM 928 CA TRP A 58 6.444 3.348 -3.594 1.00 0.00 C ATOM 929 C TRP A 58 7.183 4.614 -3.859 1.00 0.00 C ATOM 930 O TRP A 58 6.580 5.650 -4.130 1.00 0.00 O ATOM 931 CB TRP A 58 6.533 2.954 -2.109 1.00 0.00 C ATOM 932 CG TRP A 58 5.982 3.956 -1.123 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.111 4.982 -1.352 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.299 3.999 0.281 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.875 5.682 -0.198 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.619 5.105 0.805 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.069 3.190 1.072 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.722 5.397 2.138 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.118 3.472 2.416 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.454 4.555 2.942 1.00 0.00 C ATOM 0 H TRP A 58 7.617 1.704 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 58 5.392 3.509 -3.830 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.004 2.011 -1.972 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.579 2.771 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.669 5.210 -2.311 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.257 6.488 -0.100 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.619 2.359 0.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.239 6.270 2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.689 2.831 3.071 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.508 4.747 4.003 1.00 0.00 H new ATOM 951 N GLU A 59 8.527 4.556 -3.825 1.00 0.00 N ATOM 952 CA GLU A 59 9.497 5.573 -4.091 1.00 0.00 C ATOM 953 C GLU A 59 9.222 6.351 -5.332 1.00 0.00 C ATOM 954 O GLU A 59 9.361 7.572 -5.371 1.00 0.00 O ATOM 955 CB GLU A 59 10.880 4.911 -4.221 1.00 0.00 C ATOM 956 CG GLU A 59 12.105 5.823 -4.299 1.00 0.00 C ATOM 957 CD GLU A 59 12.377 6.465 -5.652 1.00 0.00 C ATOM 958 OE1 GLU A 59 12.366 5.753 -6.691 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.648 7.695 -5.685 1.00 0.00 O ATOM 0 H GLU A 59 8.988 3.680 -3.578 1.00 0.00 H new ATOM 0 HA GLU A 59 9.456 6.277 -3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.013 4.244 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.870 4.288 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.990 6.616 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.983 5.244 -4.011 1.00 0.00 H new ATOM 966 N ASN A 60 8.743 5.687 -6.399 1.00 0.00 N ATOM 967 CA ASN A 60 8.363 6.327 -7.619 1.00 0.00 C ATOM 968 C ASN A 60 7.366 7.422 -7.456 1.00 0.00 C ATOM 969 O ASN A 60 7.385 8.414 -8.182 1.00 0.00 O ATOM 970 CB ASN A 60 7.850 5.251 -8.591 1.00 0.00 C ATOM 971 CG ASN A 60 8.270 5.555 -10.022 1.00 0.00 C ATOM 972 OD1 ASN A 60 7.587 6.225 -10.795 1.00 0.00 O ATOM 973 ND2 ASN A 60 9.472 5.044 -10.403 1.00 0.00 N ATOM 0 H ASN A 60 8.616 4.675 -6.413 1.00 0.00 H new ATOM 0 HA ASN A 60 9.248 6.823 -8.017 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.237 4.276 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.763 5.193 -8.533 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.823 5.214 -11.346 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.022 4.491 -9.746 1.00 0.00 H new ATOM 980 N LEU A 61 6.451 7.293 -6.479 1.00 0.00 N ATOM 981 CA LEU A 61 5.405 8.236 -6.229 1.00 0.00 C ATOM 982 C LEU A 61 5.489 8.890 -4.893 1.00 0.00 C ATOM 983 O LEU A 61 4.502 9.387 -4.352 1.00 0.00 O ATOM 984 CB LEU A 61 4.039 7.559 -6.434 1.00 0.00 C ATOM 985 CG LEU A 61 3.523 7.695 -7.876 1.00 0.00 C ATOM 986 CD1 LEU A 61 4.347 6.868 -8.878 1.00 0.00 C ATOM 987 CD2 LEU A 61 2.051 7.261 -7.975 1.00 0.00 C ATOM 0 H LEU A 61 6.439 6.500 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 61 5.528 9.044 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.119 6.502 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.313 7.998 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 61 3.623 8.749 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.940 7.000 -9.880 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.384 7.203 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.302 5.814 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.709 7.366 -9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.957 6.220 -7.666 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.442 7.889 -7.324 1.00 0.00 H new ATOM 999 N LYS A 62 6.703 8.946 -4.317 1.00 0.00 N ATOM 1000 CA LYS A 62 7.003 9.399 -2.994 1.00 0.00 C ATOM 1001 C LYS A 62 6.757 10.800 -2.551 1.00 0.00 C ATOM 1002 O LYS A 62 7.133 11.131 -1.428 1.00 0.00 O ATOM 1003 CB LYS A 62 8.507 9.190 -2.748 1.00 0.00 C ATOM 1004 CG LYS A 62 9.428 10.135 -3.524 1.00 0.00 C ATOM 1005 CD LYS A 62 10.867 9.629 -3.409 1.00 0.00 C ATOM 1006 CE LYS A 62 11.908 10.471 -4.151 1.00 0.00 C ATOM 1007 NZ LYS A 62 13.205 9.761 -4.088 1.00 0.00 N ATOM 0 H LYS A 62 7.541 8.650 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 62 6.277 8.812 -2.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.705 9.308 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.763 8.163 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.127 10.180 -4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.351 11.147 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.139 9.588 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.909 8.608 -3.789 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.607 10.622 -5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.992 11.458 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.963 10.392 -4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.396 9.474 -3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.169 8.917 -4.695 1.00 0.00 H new ATOM 1021 N GLY A 63 6.171 11.705 -3.355 1.00 0.00 N ATOM 1022 CA GLY A 63 5.837 13.014 -2.888 1.00 0.00 C ATOM 1023 C GLY A 63 4.511 13.456 -3.403 1.00 0.00 C ATOM 1024 O GLY A 63 3.815 14.266 -2.792 1.00 0.00 O ATOM 0 H GLY A 63 5.928 11.530 -4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.826 13.021 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.605 13.721 -3.203 1.00 0.00 H new ATOM 1028 N LYS A 64 4.102 12.954 -4.582 1.00 0.00 N ATOM 1029 CA LYS A 64 2.985 13.505 -5.285 1.00 0.00 C ATOM 1030 C LYS A 64 1.675 12.907 -4.901 1.00 0.00 C ATOM 1031 O LYS A 64 0.607 13.506 -5.027 1.00 0.00 O ATOM 1032 CB LYS A 64 3.239 13.198 -6.771 1.00 0.00 C ATOM 1033 CG LYS A 64 2.480 14.125 -7.725 1.00 0.00 C ATOM 1034 CD LYS A 64 2.656 13.691 -9.181 1.00 0.00 C ATOM 1035 CE LYS A 64 1.821 14.463 -10.206 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.304 15.851 -10.384 1.00 0.00 N ATOM 0 H LYS A 64 4.546 12.164 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 64 2.913 14.567 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.307 13.278 -6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.952 12.166 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.420 14.125 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.837 15.147 -7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.708 13.791 -9.447 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.407 12.633 -9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.852 13.943 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.779 14.480 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.711 16.338 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.251 16.356 -9.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.290 15.836 -10.715 1.00 0.00 H new ATOM 1050 N SER A 65 1.703 11.637 -4.460 1.00 0.00 N ATOM 1051 CA SER A 65 0.562 10.791 -4.618 1.00 0.00 C ATOM 1052 C SER A 65 -0.475 10.822 -3.549 1.00 0.00 C ATOM 1053 O SER A 65 -1.392 10.002 -3.533 1.00 0.00 O ATOM 1054 CB SER A 65 1.029 9.348 -4.875 1.00 0.00 C ATOM 1055 OG SER A 65 0.021 8.572 -5.507 1.00 0.00 O ATOM 0 H SER A 65 2.503 11.201 -4.001 1.00 0.00 H new ATOM 0 HA SER A 65 0.036 11.213 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.923 9.361 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.307 8.882 -3.930 1.00 0.00 H new ATOM 0 HG SER A 65 0.302 7.634 -5.539 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.524 11.810 -2.638 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.676 11.995 -1.812 1.00 0.00 C ATOM 1063 C GLN A 66 -2.884 12.465 -2.547 1.00 0.00 C ATOM 1064 O GLN A 66 -4.006 12.449 -2.044 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.294 12.956 -0.674 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.512 12.268 0.674 1.00 0.00 C ATOM 1067 CD GLN A 66 -2.967 12.276 1.121 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -3.691 13.270 1.071 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -3.411 11.083 1.598 1.00 0.00 N ATOM 0 H GLN A 66 0.230 12.477 -2.474 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.968 11.023 -1.415 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.252 13.259 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.896 13.863 -0.733 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.164 11.237 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.903 12.763 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.784 10.279 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.372 10.992 1.929 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.656 12.876 -3.807 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.631 13.223 -4.794 1.00 0.00 C ATOM 1080 C GLU A 67 -4.010 12.087 -5.679 1.00 0.00 C ATOM 1081 O GLU A 67 -5.173 11.979 -6.068 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.090 14.388 -5.641 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.874 15.638 -4.786 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.670 16.873 -5.650 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.654 17.327 -6.293 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.522 17.391 -5.701 1.00 0.00 O ATOM 0 H GLU A 67 -1.706 12.973 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.539 13.512 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.149 14.096 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.790 14.611 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.734 15.787 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.006 15.495 -4.142 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.064 11.216 -6.072 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.293 10.141 -6.987 1.00 0.00 C ATOM 1095 C ASP A 68 -3.636 8.857 -6.315 1.00 0.00 C ATOM 1096 O ASP A 68 -4.630 8.232 -6.683 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.104 9.997 -7.950 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.535 9.479 -9.314 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.585 9.945 -9.834 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.811 8.650 -9.926 1.00 0.00 O ATOM 0 H ASP A 68 -2.101 11.262 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.177 10.398 -7.571 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.614 10.963 -8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.369 9.317 -7.520 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.868 8.419 -5.301 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.091 7.252 -4.506 1.00 0.00 C ATOM 1107 C ALA A 69 -4.510 7.049 -4.102 1.00 0.00 C ATOM 1108 O ALA A 69 -5.133 6.080 -4.530 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.225 7.212 -3.235 1.00 0.00 C ATOM 0 H ALA A 69 -2.027 8.921 -5.017 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.801 6.442 -5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.442 6.302 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.171 7.225 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.448 8.080 -2.615 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.117 7.976 -3.339 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.522 7.981 -3.074 1.00 0.00 C ATOM 1117 C GLU A 70 -7.481 7.691 -4.177 1.00 0.00 C ATOM 1118 O GLU A 70 -8.507 7.053 -3.947 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.915 9.293 -2.373 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.559 10.540 -3.185 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.520 11.703 -2.985 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -8.644 11.497 -2.453 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.201 12.843 -3.418 1.00 0.00 O ATOM 0 H GLU A 70 -4.615 8.744 -2.894 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.635 7.100 -2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.988 9.287 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.417 9.343 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.553 10.862 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.536 10.278 -4.243 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.236 8.104 -5.434 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.092 7.941 -6.567 1.00 0.00 C ATOM 1132 C LYS A 71 -7.860 6.646 -7.268 1.00 0.00 C ATOM 1133 O LYS A 71 -8.782 5.971 -7.721 1.00 0.00 O ATOM 1134 CB LYS A 71 -7.892 9.019 -7.646 1.00 0.00 C ATOM 1135 CG LYS A 71 -7.733 10.463 -7.170 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.924 11.077 -6.431 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.945 12.606 -6.488 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.681 13.205 -6.006 1.00 0.00 N ATOM 0 H LYS A 71 -6.372 8.589 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.092 8.002 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.008 8.756 -8.227 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.743 8.979 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.864 10.512 -6.514 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.513 11.085 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.848 10.691 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.900 10.759 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.128 12.926 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.773 12.978 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.630 14.199 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.648 13.157 -4.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.875 12.681 -6.403 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.585 6.244 -7.416 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.227 5.014 -8.052 1.00 0.00 C ATOM 1154 C GLU A 72 -6.463 3.844 -7.159 1.00 0.00 C ATOM 1155 O GLU A 72 -6.641 2.729 -7.645 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.758 5.073 -8.502 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.451 6.048 -9.641 1.00 0.00 C ATOM 1158 CD GLU A 72 -5.115 5.682 -10.961 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -5.019 4.507 -11.405 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -5.717 6.596 -11.587 1.00 0.00 O ATOM 0 H GLU A 72 -5.786 6.785 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.864 4.882 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.145 5.343 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.452 4.074 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.773 7.047 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.372 6.092 -9.788 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.501 4.048 -5.831 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.687 3.022 -4.851 1.00 0.00 C ATOM 1169 C TYR A 73 -8.028 2.378 -4.922 1.00 0.00 C ATOM 1170 O TYR A 73 -8.109 1.165 -5.110 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.525 3.548 -3.415 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.203 2.435 -2.479 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.941 1.899 -2.583 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -7.079 1.934 -1.544 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.530 0.880 -1.758 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.686 0.893 -0.737 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.418 0.370 -0.839 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.981 -0.742 -0.091 1.00 0.00 O ATOM 0 H TYR A 73 -6.397 4.975 -5.419 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.912 2.292 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.733 4.296 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.443 4.042 -3.098 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.260 2.286 -3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.068 2.356 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.527 0.486 -1.830 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.378 0.482 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.071 -0.982 -0.363 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.109 3.163 -4.768 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.469 2.756 -4.944 1.00 0.00 C ATOM 1190 C ILE A 74 -10.714 1.824 -6.081 1.00 0.00 C ATOM 1191 O ILE A 74 -11.321 0.772 -5.889 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.381 3.946 -4.949 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.885 3.642 -5.059 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.961 5.037 -5.949 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.479 3.421 -6.449 1.00 0.00 C ATOM 0 H ILE A 74 -9.027 4.145 -4.504 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.710 2.144 -4.075 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.246 4.341 -3.942 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.089 2.751 -4.465 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.426 4.466 -4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.665 5.867 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.961 5.393 -5.700 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.958 4.624 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.546 3.218 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.329 4.314 -7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -12.986 2.573 -6.925 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.206 2.127 -7.289 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.401 1.323 -8.455 1.00 0.00 C ATOM 1209 C ALA A 75 -9.711 0.003 -8.429 1.00 0.00 C ATOM 1210 O ALA A 75 -10.323 -1.025 -8.711 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.959 2.118 -9.695 1.00 0.00 C ATOM 0 H ALA A 75 -9.641 2.959 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.466 1.091 -8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.105 1.510 -10.588 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.553 3.028 -9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.905 2.380 -9.603 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.427 -0.034 -8.029 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.678 -1.237 -7.833 1.00 0.00 C ATOM 1219 C LEU A 76 -8.350 -2.140 -6.856 1.00 0.00 C ATOM 1220 O LEU A 76 -8.716 -3.274 -7.159 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.277 -0.958 -7.263 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.228 -0.658 -8.346 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.029 0.070 -7.715 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.769 -1.952 -9.040 1.00 0.00 C ATOM 0 H LEU A 76 -7.888 0.810 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.608 -1.698 -8.818 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.333 -0.112 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.951 -1.820 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.679 -0.016 -9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.286 0.282 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.365 1.005 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.584 -0.561 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.027 -1.713 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.329 -2.624 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.626 -2.438 -9.508 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.576 -1.624 -5.635 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.043 -2.359 -4.500 1.00 0.00 C ATOM 1238 C VAL A 77 -10.482 -2.722 -4.643 1.00 0.00 C ATOM 1239 O VAL A 77 -10.908 -3.713 -4.052 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.643 -1.620 -3.259 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.288 -2.290 -2.034 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.115 -1.763 -3.146 1.00 0.00 C ATOM 0 H VAL A 77 -8.424 -0.637 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.567 -3.336 -4.422 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.956 -0.577 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.998 -1.753 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.373 -2.268 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.951 -3.324 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.766 -1.241 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.853 -2.819 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.643 -1.331 -4.028 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.302 -2.074 -5.488 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.607 -2.588 -5.770 1.00 0.00 C ATOM 1254 C ASP A 78 -12.558 -3.891 -6.493 1.00 0.00 C ATOM 1255 O ASP A 78 -13.174 -4.882 -6.103 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.441 -1.617 -6.622 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.896 -1.565 -6.181 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.143 -1.271 -4.980 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.812 -1.788 -7.017 1.00 0.00 O ATOM 0 H ASP A 78 -11.067 -1.206 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.074 -2.723 -4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.009 -0.618 -6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.391 -1.920 -7.668 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.762 -3.926 -7.576 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.577 -5.047 -8.443 1.00 0.00 C ATOM 1266 C GLN A 79 -10.819 -6.145 -7.779 1.00 0.00 C ATOM 1267 O GLN A 79 -10.977 -7.326 -8.083 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.851 -4.561 -9.709 1.00 0.00 C ATOM 1269 CG GLN A 79 -11.684 -3.570 -10.525 1.00 0.00 C ATOM 1270 CD GLN A 79 -10.860 -2.796 -11.543 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -9.983 -3.316 -12.230 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -11.164 -1.477 -11.679 1.00 0.00 N ATOM 0 H GLN A 79 -11.212 -3.117 -7.864 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.550 -5.463 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.910 -4.090 -9.425 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.602 -5.420 -10.332 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.476 -4.110 -11.043 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -12.168 -2.867 -9.847 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.894 -1.060 -11.102 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.662 -0.905 -12.358 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.972 -5.783 -6.800 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.151 -6.640 -6.001 1.00 0.00 C ATOM 1283 C LEU A 80 -9.929 -7.231 -4.878 1.00 0.00 C ATOM 1284 O LEU A 80 -9.918 -8.448 -4.702 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.782 -5.983 -5.757 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.814 -6.394 -6.879 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -7.263 -6.093 -8.319 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.413 -5.778 -6.725 1.00 0.00 C ATOM 0 H LEU A 80 -9.852 -4.803 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.852 -7.553 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.886 -4.898 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.386 -6.290 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.801 -7.476 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.496 -6.429 -9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.197 -6.616 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.415 -5.020 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.778 -6.107 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.490 -4.691 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.976 -6.099 -5.779 1.00 0.00 H new ATOM 1300 N ILE A 81 -10.746 -6.463 -4.134 1.00 0.00 N ATOM 1301 CA ILE A 81 -11.652 -7.006 -3.170 1.00 0.00 C ATOM 1302 C ILE A 81 -12.665 -7.922 -3.765 1.00 0.00 C ATOM 1303 O ILE A 81 -13.032 -8.925 -3.154 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.322 -5.946 -2.346 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.302 -5.390 -1.339 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -13.591 -6.403 -1.607 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -11.791 -4.176 -0.552 1.00 0.00 C ATOM 0 H ILE A 81 -10.778 -5.446 -4.204 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.027 -7.603 -2.506 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.661 -5.181 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.035 -6.180 -0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.392 -5.119 -1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.002 -5.568 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.329 -6.748 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.342 -7.217 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.010 -3.849 0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.030 -3.367 -1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.683 -4.445 0.014 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.107 -7.693 -5.014 1.00 0.00 N ATOM 1320 CA ALA A 82 -13.923 -8.627 -5.727 1.00 0.00 C ATOM 1321 C ALA A 82 -13.386 -10.014 -5.815 1.00 0.00 C ATOM 1322 O ALA A 82 -14.147 -10.981 -5.851 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.237 -8.088 -7.133 1.00 0.00 C ATOM 0 H ALA A 82 -12.894 -6.844 -5.539 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.832 -8.718 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.859 -8.806 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.768 -7.140 -7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.307 -7.935 -7.680 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.052 -10.182 -5.805 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.391 -11.434 -5.606 1.00 0.00 C ATOM 1331 C LYS A 83 -11.168 -11.738 -4.164 1.00 0.00 C ATOM 1332 O LYS A 83 -11.419 -12.849 -3.701 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.057 -11.460 -6.371 1.00 0.00 C ATOM 1334 CG LYS A 83 -9.337 -12.809 -6.378 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.146 -12.782 -7.339 1.00 0.00 C ATOM 1336 CE LYS A 83 -7.340 -14.081 -7.284 1.00 0.00 C ATOM 1337 NZ LYS A 83 -6.269 -14.081 -8.305 1.00 0.00 N ATOM 0 H LYS A 83 -11.403 -9.407 -5.942 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.048 -12.210 -5.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.242 -11.160 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.392 -10.714 -5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.993 -13.048 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.031 -13.596 -6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.503 -12.619 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.498 -11.942 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.903 -14.201 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.002 -14.932 -7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.736 -14.972 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.691 -13.989 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.626 -13.281 -8.134 1.00 0.00 H new ATOM 1351 N TYR A 84 -10.654 -10.767 -3.389 1.00 0.00 N ATOM 1352 CA TYR A 84 -9.999 -10.982 -2.135 1.00 0.00 C ATOM 1353 C TYR A 84 -10.881 -10.950 -0.935 1.00 0.00 C ATOM 1354 O TYR A 84 -10.451 -11.316 0.159 1.00 0.00 O ATOM 1355 CB TYR A 84 -8.877 -9.951 -1.929 1.00 0.00 C ATOM 1356 CG TYR A 84 -7.802 -9.948 -2.961 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.222 -11.108 -3.418 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.304 -8.752 -3.422 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.144 -11.076 -4.270 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.228 -8.703 -4.277 1.00 0.00 C ATOM 1361 CZ TYR A 84 -5.630 -9.871 -4.686 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.432 -9.858 -5.432 1.00 0.00 O ATOM 0 H TYR A 84 -10.697 -9.782 -3.650 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.613 -11.998 -2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.324 -8.958 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.420 -10.129 -0.956 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.620 -12.061 -3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.769 -7.830 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.700 -11.999 -4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.855 -7.751 -4.625 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.642 -9.813 -6.388 1.00 0.00 H new ATOM 1372 N SER A 85 -12.146 -10.510 -1.052 1.00 0.00 N ATOM 1373 CA SER A 85 -13.148 -10.469 -0.033 1.00 0.00 C ATOM 1374 C SER A 85 -13.259 -11.676 0.835 1.00 0.00 C ATOM 1375 O SER A 85 -13.268 -11.587 2.063 1.00 0.00 O ATOM 1376 CB SER A 85 -14.533 -10.137 -0.610 1.00 0.00 C ATOM 1377 OG SER A 85 -15.466 -9.702 0.368 1.00 0.00 O ATOM 0 H SER A 85 -12.497 -10.151 -1.940 1.00 0.00 H new ATOM 0 HA SER A 85 -12.795 -9.669 0.618 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.425 -9.361 -1.368 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.930 -11.020 -1.112 1.00 0.00 H new ATOM 0 HG SER A 85 -16.324 -9.506 -0.063 1.00 0.00 H new ATOM 1383 N SER A 86 -13.428 -12.860 0.223 1.00 0.00 N ATOM 1384 CA SER A 86 -13.622 -14.097 0.914 1.00 0.00 C ATOM 1385 C SER A 86 -13.200 -15.268 0.036 1.00 0.00 C ATOM 1386 O SER A 86 -13.481 -16.440 0.401 1.00 0.00 O ATOM 1387 CB SER A 86 -15.087 -14.290 1.340 1.00 0.00 C ATOM 1388 OG SER A 86 -15.396 -13.420 2.418 1.00 0.00 O ATOM 1389 OXT SER A 86 -12.568 -15.050 -1.032 1.00 0.00 O ATOM 0 H SER A 86 -13.430 -12.961 -0.792 1.00 0.00 H new ATOM 0 HA SER A 86 -13.003 -14.063 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.749 -14.089 0.498 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.255 -15.325 1.637 1.00 0.00 H new ATOM 0 HG SER A 86 -14.671 -12.771 2.533 1.00 0.00 H new