USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 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 20 SER OG : rot 180:sc= 0.023 USER MOD Set 1.2: A 84 TYR OH : rot -39:sc= 0.345 USER MOD Single : A 2 SER OG : rot 28:sc= 0.037 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.23) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.154 X(o=0.15,f=-0.28) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 53:sc= 1.2 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 33 GLN : amide:sc= 0.00281 K(o=0.0028,f=-3.1!) USER MOD Single : A 35 THR OG1 : rot 85:sc= 0.982 USER MOD Single : A 39 ASN : amide:sc= 0.029 K(o=0.029,f=-0.92) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 170:sc= -0.0289 (180deg=-0.187) USER MOD Single : A 60 ASN : amide:sc= -0.0025 K(o=-0.0025,f=-0.92) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 0.868 (180deg=0.127) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -63:sc= 1.27 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= 1.57 (180deg=0.926) USER MOD Single : A 73 TYR OH : rot 100:sc= -0.204 USER MOD Single : A 79 GLN : amide:sc= -0.0327 K(o=-0.033,f=-2.5!) USER MOD Single : A 83 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00506) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 26:sc= 0.827 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.538 10.058 1.030 1.00 0.00 N ATOM 20 CA SER A 2 -8.669 9.316 1.890 1.00 0.00 C ATOM 21 C SER A 2 -9.379 8.534 2.941 1.00 0.00 C ATOM 22 O SER A 2 -8.764 7.802 3.716 1.00 0.00 O ATOM 23 CB SER A 2 -7.679 10.226 2.636 1.00 0.00 C ATOM 24 OG SER A 2 -6.853 10.927 1.716 1.00 0.00 O ATOM 0 HA SER A 2 -8.159 8.637 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.226 10.936 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.061 9.628 3.306 1.00 0.00 H new ATOM 0 HG SER A 2 -7.334 11.047 0.870 1.00 0.00 H new ATOM 30 N GLN A 3 -10.718 8.632 3.014 1.00 0.00 N ATOM 31 CA GLN A 3 -11.530 7.934 3.962 1.00 0.00 C ATOM 32 C GLN A 3 -11.637 6.492 3.603 1.00 0.00 C ATOM 33 O GLN A 3 -11.170 5.611 4.323 1.00 0.00 O ATOM 34 CB GLN A 3 -12.927 8.573 4.041 1.00 0.00 C ATOM 35 CG GLN A 3 -12.959 10.009 4.567 1.00 0.00 C ATOM 36 CD GLN A 3 -13.015 10.096 6.086 1.00 0.00 C ATOM 37 OE1 GLN A 3 -14.072 10.322 6.672 1.00 0.00 O ATOM 38 NE2 GLN A 3 -11.850 9.929 6.768 1.00 0.00 N ATOM 0 H GLN A 3 -11.259 9.224 2.384 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.057 8.008 4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.372 8.558 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.556 7.955 4.681 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.074 10.538 4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.825 10.522 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.985 9.742 6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.842 9.990 7.786 1.00 0.00 H new ATOM 47 N LEU A 4 -12.190 6.206 2.410 1.00 0.00 N ATOM 48 CA LEU A 4 -12.361 4.903 1.850 1.00 0.00 C ATOM 49 C LEU A 4 -11.051 4.225 1.627 1.00 0.00 C ATOM 50 O LEU A 4 -10.943 3.005 1.729 1.00 0.00 O ATOM 51 CB LEU A 4 -13.029 4.887 0.464 1.00 0.00 C ATOM 52 CG LEU A 4 -12.617 6.066 -0.434 1.00 0.00 C ATOM 53 CD1 LEU A 4 -12.682 5.693 -1.925 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.508 7.306 -0.250 1.00 0.00 C ATOM 0 H LEU A 4 -12.542 6.940 1.795 1.00 0.00 H new ATOM 0 HA LEU A 4 -12.991 4.403 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.779 3.953 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.111 4.900 0.592 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.597 6.298 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.384 6.551 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.007 4.860 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.701 5.404 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.165 8.102 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.540 7.052 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.451 7.644 0.785 1.00 0.00 H new ATOM 66 N PHE A 5 -10.013 5.020 1.313 1.00 0.00 N ATOM 67 CA PHE A 5 -8.655 4.601 1.152 1.00 0.00 C ATOM 68 C PHE A 5 -8.192 3.779 2.305 1.00 0.00 C ATOM 69 O PHE A 5 -7.792 2.628 2.141 1.00 0.00 O ATOM 70 CB PHE A 5 -7.860 5.902 0.955 1.00 0.00 C ATOM 71 CG PHE A 5 -6.393 5.656 0.852 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.823 5.338 -0.358 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.633 5.668 1.998 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.489 5.012 -0.423 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.303 5.319 1.950 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.741 5.019 0.731 1.00 0.00 C ATOM 0 H PHE A 5 -10.131 6.022 1.162 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.518 3.939 0.297 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.207 6.404 0.052 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.056 6.575 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.422 5.344 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.081 5.952 2.938 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.034 4.754 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.711 5.281 2.853 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.688 4.784 0.679 1.00 0.00 H new ATOM 86 N GLU A 6 -8.304 4.303 3.540 1.00 0.00 N ATOM 87 CA GLU A 6 -7.894 3.580 4.703 1.00 0.00 C ATOM 88 C GLU A 6 -8.890 2.542 5.094 1.00 0.00 C ATOM 89 O GLU A 6 -8.521 1.499 5.629 1.00 0.00 O ATOM 90 CB GLU A 6 -7.566 4.472 5.913 1.00 0.00 C ATOM 91 CG GLU A 6 -6.271 5.261 5.704 1.00 0.00 C ATOM 92 CD GLU A 6 -5.733 5.872 6.990 1.00 0.00 C ATOM 93 OE1 GLU A 6 -5.135 5.134 7.818 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.892 7.108 7.178 1.00 0.00 O ATOM 0 H GLU A 6 -8.680 5.231 3.732 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.965 3.092 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.389 5.165 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.475 3.854 6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.515 4.602 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.448 6.054 4.978 1.00 0.00 H new ATOM 101 N GLU A 7 -10.181 2.763 4.789 1.00 0.00 N ATOM 102 CA GLU A 7 -11.246 1.847 5.055 1.00 0.00 C ATOM 103 C GLU A 7 -11.087 0.560 4.320 1.00 0.00 C ATOM 104 O GLU A 7 -11.195 -0.528 4.885 1.00 0.00 O ATOM 105 CB GLU A 7 -12.574 2.585 4.817 1.00 0.00 C ATOM 106 CG GLU A 7 -13.661 1.984 3.923 1.00 0.00 C ATOM 107 CD GLU A 7 -14.508 0.886 4.549 1.00 0.00 C ATOM 108 OE1 GLU A 7 -14.417 0.636 5.780 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.330 0.292 3.801 1.00 0.00 O ATOM 0 H GLU A 7 -10.497 3.620 4.336 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.231 1.526 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.024 2.756 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.326 3.563 4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.324 2.787 3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.186 1.583 3.027 1.00 0.00 H new ATOM 116 N LYS A 8 -10.754 0.617 3.019 1.00 0.00 N ATOM 117 CA LYS A 8 -10.516 -0.524 2.189 1.00 0.00 C ATOM 118 C LYS A 8 -9.123 -1.040 2.295 1.00 0.00 C ATOM 119 O LYS A 8 -8.897 -2.234 2.102 1.00 0.00 O ATOM 120 CB LYS A 8 -10.906 -0.228 0.731 1.00 0.00 C ATOM 121 CG LYS A 8 -12.196 -0.921 0.290 1.00 0.00 C ATOM 122 CD LYS A 8 -13.449 -0.368 0.973 1.00 0.00 C ATOM 123 CE LYS A 8 -14.727 -1.151 0.669 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.897 -0.466 1.265 1.00 0.00 N ATOM 0 H LYS A 8 -10.645 1.501 2.521 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.157 -1.324 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -11.021 0.849 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.093 -0.540 0.076 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.304 -0.817 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.117 -1.987 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.288 -0.361 2.051 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.589 0.668 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.859 -1.242 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.646 -2.163 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.718 -1.104 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.682 -0.204 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.113 0.392 0.718 1.00 0.00 H new ATOM 138 N ALA A 9 -8.117 -0.215 2.635 1.00 0.00 N ATOM 139 CA ALA A 9 -6.759 -0.653 2.727 1.00 0.00 C ATOM 140 C ALA A 9 -6.499 -1.617 3.832 1.00 0.00 C ATOM 141 O ALA A 9 -5.937 -2.701 3.681 1.00 0.00 O ATOM 142 CB ALA A 9 -5.807 0.529 2.982 1.00 0.00 C ATOM 0 H ALA A 9 -8.249 0.773 2.850 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.581 -1.139 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.782 0.163 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.886 1.243 2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.077 1.019 3.917 1.00 0.00 H new ATOM 148 N LYS A 10 -6.979 -1.222 5.024 1.00 0.00 N ATOM 149 CA LYS A 10 -6.941 -2.014 6.214 1.00 0.00 C ATOM 150 C LYS A 10 -7.759 -3.257 6.120 1.00 0.00 C ATOM 151 O LYS A 10 -7.528 -4.211 6.860 1.00 0.00 O ATOM 152 CB LYS A 10 -7.473 -1.097 7.327 1.00 0.00 C ATOM 153 CG LYS A 10 -6.467 -0.042 7.791 1.00 0.00 C ATOM 154 CD LYS A 10 -7.018 0.778 8.960 1.00 0.00 C ATOM 155 CE LYS A 10 -6.120 1.951 9.357 1.00 0.00 C ATOM 156 NZ LYS A 10 -6.658 2.617 10.565 1.00 0.00 N ATOM 0 H LYS A 10 -7.413 -0.310 5.165 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.926 -2.363 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.374 -0.596 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.764 -1.709 8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.539 -0.529 8.091 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.225 0.622 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.004 1.159 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.151 0.124 9.822 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.108 1.596 9.549 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.057 2.665 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.041 3.412 10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.616 2.972 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.696 1.935 11.350 1.00 0.00 H new ATOM 170 N ALA A 11 -8.703 -3.324 5.166 1.00 0.00 N ATOM 171 CA ALA A 11 -9.331 -4.542 4.758 1.00 0.00 C ATOM 172 C ALA A 11 -8.379 -5.370 3.964 1.00 0.00 C ATOM 173 O ALA A 11 -8.023 -6.461 4.406 1.00 0.00 O ATOM 174 CB ALA A 11 -10.621 -4.330 3.948 1.00 0.00 C ATOM 0 H ALA A 11 -9.041 -2.504 4.662 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.614 -5.057 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.041 -5.297 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.343 -3.779 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.395 -3.763 3.045 1.00 0.00 H new ATOM 180 N VAL A 12 -7.890 -4.912 2.798 1.00 0.00 N ATOM 181 CA VAL A 12 -7.147 -5.704 1.868 1.00 0.00 C ATOM 182 C VAL A 12 -5.848 -6.200 2.403 1.00 0.00 C ATOM 183 O VAL A 12 -5.442 -7.318 2.090 1.00 0.00 O ATOM 184 CB VAL A 12 -6.961 -5.088 0.513 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.346 -4.912 -0.133 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.177 -3.766 0.548 1.00 0.00 C ATOM 0 H VAL A 12 -8.018 -3.948 2.490 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.797 -6.567 1.723 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.349 -5.759 -0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.233 -4.465 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.829 -5.884 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.959 -4.262 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.079 -3.374 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.710 -3.043 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.186 -3.942 0.967 1.00 0.00 H new ATOM 196 N ASN A 13 -5.191 -5.451 3.307 1.00 0.00 N ATOM 197 CA ASN A 13 -3.974 -5.909 3.901 1.00 0.00 C ATOM 198 C ASN A 13 -4.173 -7.001 4.894 1.00 0.00 C ATOM 199 O ASN A 13 -3.211 -7.630 5.333 1.00 0.00 O ATOM 200 CB ASN A 13 -3.209 -4.766 4.589 1.00 0.00 C ATOM 201 CG ASN A 13 -2.755 -3.712 3.587 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.290 -3.994 2.484 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.833 -2.422 4.009 1.00 0.00 N ATOM 0 H ASN A 13 -5.501 -4.533 3.625 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.392 -6.303 3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.846 -4.302 5.342 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.342 -5.170 5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.503 -1.668 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.222 -2.208 4.927 1.00 0.00 H new ATOM 210 N GLU A 14 -5.431 -7.286 5.278 1.00 0.00 N ATOM 211 CA GLU A 14 -5.764 -8.296 6.234 1.00 0.00 C ATOM 212 C GLU A 14 -7.042 -8.989 5.908 1.00 0.00 C ATOM 213 O GLU A 14 -7.816 -9.395 6.773 1.00 0.00 O ATOM 214 CB GLU A 14 -5.739 -7.675 7.641 1.00 0.00 C ATOM 215 CG GLU A 14 -5.608 -8.708 8.763 1.00 0.00 C ATOM 216 CD GLU A 14 -4.795 -8.205 9.946 1.00 0.00 C ATOM 217 OE1 GLU A 14 -3.578 -7.939 9.764 1.00 0.00 O ATOM 218 OE2 GLU A 14 -5.362 -8.114 11.068 1.00 0.00 O ATOM 0 H GLU A 14 -6.245 -6.795 4.909 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.016 -9.088 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.907 -6.974 7.705 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.653 -7.100 7.792 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.603 -8.990 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.141 -9.609 8.366 1.00 0.00 H new ATOM 225 N LEU A 15 -7.315 -9.210 4.609 1.00 0.00 N ATOM 226 CA LEU A 15 -8.384 -10.026 4.121 1.00 0.00 C ATOM 227 C LEU A 15 -8.105 -11.470 4.361 1.00 0.00 C ATOM 228 O LEU A 15 -6.983 -11.795 4.747 1.00 0.00 O ATOM 229 CB LEU A 15 -8.596 -9.700 2.634 1.00 0.00 C ATOM 230 CG LEU A 15 -9.655 -8.619 2.360 1.00 0.00 C ATOM 231 CD1 LEU A 15 -9.713 -8.260 0.865 1.00 0.00 C ATOM 232 CD2 LEU A 15 -11.082 -8.972 2.811 1.00 0.00 C ATOM 0 H LEU A 15 -6.760 -8.797 3.860 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.306 -9.810 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.647 -9.376 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.884 -10.613 2.113 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.321 -7.775 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.471 -7.493 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.742 -7.883 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.967 -9.149 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.753 -8.147 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.415 -9.871 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.090 -9.149 3.887 1.00 0.00 H new ATOM 244 N PRO A 16 -8.977 -12.424 4.216 1.00 0.00 N ATOM 245 CA PRO A 16 -8.630 -13.804 4.393 1.00 0.00 C ATOM 246 C PRO A 16 -7.874 -14.314 3.214 1.00 0.00 C ATOM 247 O PRO A 16 -7.071 -15.236 3.341 1.00 0.00 O ATOM 248 CB PRO A 16 -9.976 -14.511 4.535 1.00 0.00 C ATOM 249 CG PRO A 16 -10.969 -13.645 3.745 1.00 0.00 C ATOM 250 CD PRO A 16 -10.375 -12.232 3.861 1.00 0.00 C ATOM 0 HA PRO A 16 -7.983 -13.969 5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.933 -15.524 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.270 -14.593 5.581 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.045 -13.966 2.706 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.972 -13.696 4.168 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.470 -11.688 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.896 -11.649 4.620 1.00 0.00 H new ATOM 258 N THR A 17 -8.121 -13.707 2.040 1.00 0.00 N ATOM 259 CA THR A 17 -7.461 -13.968 0.798 1.00 0.00 C ATOM 260 C THR A 17 -6.581 -12.783 0.589 1.00 0.00 C ATOM 261 O THR A 17 -6.889 -11.852 -0.155 1.00 0.00 O ATOM 262 CB THR A 17 -8.457 -14.138 -0.312 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.331 -15.216 -0.012 1.00 0.00 O ATOM 264 CG2 THR A 17 -7.799 -14.495 -1.655 1.00 0.00 C ATOM 0 H THR A 17 -8.833 -12.982 1.953 1.00 0.00 H new ATOM 0 HA THR A 17 -6.888 -14.895 0.810 1.00 0.00 H new ATOM 0 HB THR A 17 -8.975 -13.183 -0.396 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.980 -15.322 -0.738 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.568 -14.605 -2.419 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.110 -13.701 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.251 -15.432 -1.554 1.00 0.00 H new ATOM 272 N LYS A 18 -5.467 -12.738 1.340 1.00 0.00 N ATOM 273 CA LYS A 18 -4.512 -11.674 1.350 1.00 0.00 C ATOM 274 C LYS A 18 -3.844 -11.400 0.047 1.00 0.00 C ATOM 275 O LYS A 18 -3.831 -12.294 -0.797 1.00 0.00 O ATOM 276 CB LYS A 18 -3.471 -11.932 2.453 1.00 0.00 C ATOM 277 CG LYS A 18 -4.132 -11.969 3.832 1.00 0.00 C ATOM 278 CD LYS A 18 -3.162 -11.920 5.015 1.00 0.00 C ATOM 279 CE LYS A 18 -3.898 -12.095 6.345 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.987 -11.863 7.487 1.00 0.00 N ATOM 0 H LYS A 18 -5.218 -13.492 1.980 1.00 0.00 H new ATOM 0 HA LYS A 18 -5.081 -10.767 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.962 -12.877 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.711 -11.151 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.821 -11.128 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.729 -12.878 3.908 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.412 -12.704 4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.631 -10.968 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.736 -11.400 6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.314 -13.101 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.509 -11.987 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.201 -12.543 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.610 -10.895 7.439 1.00 0.00 H new ATOM 294 N PRO A 19 -3.299 -10.254 -0.237 1.00 0.00 N ATOM 295 CA PRO A 19 -3.040 -9.845 -1.587 1.00 0.00 C ATOM 296 C PRO A 19 -1.982 -10.631 -2.283 1.00 0.00 C ATOM 297 O PRO A 19 -1.002 -11.030 -1.657 1.00 0.00 O ATOM 298 CB PRO A 19 -2.620 -8.380 -1.493 1.00 0.00 C ATOM 299 CG PRO A 19 -3.296 -7.889 -0.203 1.00 0.00 C ATOM 300 CD PRO A 19 -3.160 -9.137 0.685 1.00 0.00 C ATOM 0 HA PRO A 19 -3.937 -10.009 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.536 -8.277 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.953 -7.811 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.792 -7.021 0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.337 -7.607 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.196 -9.159 1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.929 -9.161 1.457 1.00 0.00 H new ATOM 308 N SER A 20 -2.130 -10.890 -3.595 1.00 0.00 N ATOM 309 CA SER A 20 -1.137 -11.550 -4.384 1.00 0.00 C ATOM 310 C SER A 20 -0.067 -10.625 -4.853 1.00 0.00 C ATOM 311 O SER A 20 -0.276 -9.422 -5.010 1.00 0.00 O ATOM 312 CB SER A 20 -1.738 -12.281 -5.596 1.00 0.00 C ATOM 313 OG SER A 20 -2.648 -13.276 -5.152 1.00 0.00 O ATOM 0 H SER A 20 -2.965 -10.633 -4.122 1.00 0.00 H new ATOM 0 HA SER A 20 -0.691 -12.286 -3.715 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.250 -11.570 -6.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.945 -12.738 -6.187 1.00 0.00 H new ATOM 0 HG SER A 20 -3.030 -13.739 -5.927 1.00 0.00 H new ATOM 319 N THR A 21 1.146 -11.155 -5.087 1.00 0.00 N ATOM 320 CA THR A 21 2.390 -10.454 -5.189 1.00 0.00 C ATOM 321 C THR A 21 2.456 -9.332 -6.166 1.00 0.00 C ATOM 322 O THR A 21 2.782 -8.206 -5.795 1.00 0.00 O ATOM 323 CB THR A 21 3.546 -11.381 -5.424 1.00 0.00 C ATOM 324 OG1 THR A 21 3.588 -12.363 -4.399 1.00 0.00 O ATOM 325 CG2 THR A 21 4.897 -10.647 -5.375 1.00 0.00 C ATOM 0 H THR A 21 1.266 -12.160 -5.216 1.00 0.00 H new ATOM 0 HA THR A 21 2.462 -9.985 -4.208 1.00 0.00 H new ATOM 0 HB THR A 21 3.397 -11.819 -6.411 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.343 -12.968 -4.556 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.704 -11.358 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.920 -9.875 -6.144 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.026 -10.187 -4.395 1.00 0.00 H new ATOM 333 N ASP A 22 2.118 -9.553 -7.448 1.00 0.00 N ATOM 334 CA ASP A 22 2.211 -8.560 -8.473 1.00 0.00 C ATOM 335 C ASP A 22 1.209 -7.465 -8.345 1.00 0.00 C ATOM 336 O ASP A 22 1.316 -6.414 -8.975 1.00 0.00 O ATOM 337 CB ASP A 22 2.040 -9.196 -9.864 1.00 0.00 C ATOM 338 CG ASP A 22 3.060 -10.299 -10.105 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.239 -10.000 -10.436 1.00 0.00 O ATOM 340 OD2 ASP A 22 2.671 -11.495 -10.017 1.00 0.00 O ATOM 0 H ASP A 22 1.769 -10.451 -7.783 1.00 0.00 H new ATOM 0 HA ASP A 22 3.203 -8.124 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.033 -9.604 -9.957 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.145 -8.429 -10.631 1.00 0.00 H new ATOM 345 N GLU A 23 0.189 -7.658 -7.490 1.00 0.00 N ATOM 346 CA GLU A 23 -0.783 -6.672 -7.132 1.00 0.00 C ATOM 347 C GLU A 23 -0.239 -5.889 -5.987 1.00 0.00 C ATOM 348 O GLU A 23 -0.087 -4.671 -6.060 1.00 0.00 O ATOM 349 CB GLU A 23 -2.135 -7.311 -6.776 1.00 0.00 C ATOM 350 CG GLU A 23 -2.596 -8.424 -7.718 1.00 0.00 C ATOM 351 CD GLU A 23 -2.754 -7.991 -9.168 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.748 -7.284 -9.485 1.00 0.00 O ATOM 353 OE2 GLU A 23 -1.909 -8.381 -10.017 1.00 0.00 O ATOM 0 H GLU A 23 0.034 -8.552 -7.023 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.970 -6.015 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.073 -7.714 -5.765 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.896 -6.530 -6.762 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.879 -9.244 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.549 -8.814 -7.362 1.00 0.00 H new ATOM 360 N LEU A 24 0.132 -6.581 -4.896 1.00 0.00 N ATOM 361 CA LEU A 24 0.654 -6.086 -3.659 1.00 0.00 C ATOM 362 C LEU A 24 1.669 -5.000 -3.745 1.00 0.00 C ATOM 363 O LEU A 24 1.565 -4.002 -3.032 1.00 0.00 O ATOM 364 CB LEU A 24 1.236 -7.296 -2.909 1.00 0.00 C ATOM 365 CG LEU A 24 1.156 -7.248 -1.374 1.00 0.00 C ATOM 366 CD1 LEU A 24 1.378 -8.682 -0.863 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.168 -6.281 -0.736 1.00 0.00 C ATOM 0 H LEU A 24 0.057 -7.598 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.175 -5.605 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.718 -8.192 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.282 -7.404 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 24 0.177 -6.864 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.329 -8.692 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.605 -9.336 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.357 -9.036 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.055 -6.299 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.180 -6.587 -1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.987 -5.271 -1.103 1.00 0.00 H new ATOM 379 N LEU A 25 2.667 -5.115 -4.639 1.00 0.00 N ATOM 380 CA LEU A 25 3.649 -4.114 -4.919 1.00 0.00 C ATOM 381 C LEU A 25 3.124 -2.748 -5.200 1.00 0.00 C ATOM 382 O LEU A 25 3.463 -1.774 -4.530 1.00 0.00 O ATOM 383 CB LEU A 25 4.463 -4.546 -6.150 1.00 0.00 C ATOM 384 CG LEU A 25 5.301 -5.823 -5.968 1.00 0.00 C ATOM 385 CD1 LEU A 25 6.002 -6.149 -7.298 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.311 -5.695 -4.815 1.00 0.00 C ATOM 0 H LEU A 25 2.796 -5.957 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 25 4.237 -4.040 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.777 -4.697 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.130 -3.730 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 25 4.637 -6.643 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.600 -7.053 -7.182 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.254 -6.306 -8.075 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.650 -5.319 -7.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.879 -6.621 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.993 -4.869 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.778 -5.505 -3.884 1.00 0.00 H new ATOM 398 N GLU A 26 2.240 -2.629 -6.207 1.00 0.00 N ATOM 399 CA GLU A 26 1.618 -1.394 -6.569 1.00 0.00 C ATOM 400 C GLU A 26 0.604 -0.947 -5.572 1.00 0.00 C ATOM 401 O GLU A 26 0.471 0.238 -5.272 1.00 0.00 O ATOM 402 CB GLU A 26 1.005 -1.497 -7.975 1.00 0.00 C ATOM 403 CG GLU A 26 0.498 -0.160 -8.519 1.00 0.00 C ATOM 404 CD GLU A 26 0.179 -0.232 -10.006 1.00 0.00 C ATOM 405 OE1 GLU A 26 1.123 -0.382 -10.827 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.022 -0.119 -10.369 1.00 0.00 O ATOM 0 H GLU A 26 1.949 -3.416 -6.787 1.00 0.00 H new ATOM 0 HA GLU A 26 2.396 -0.631 -6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.752 -1.899 -8.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.179 -2.207 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.395 0.139 -7.971 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.250 0.610 -8.347 1.00 0.00 H new ATOM 413 N LEU A 27 -0.131 -1.890 -4.958 1.00 0.00 N ATOM 414 CA LEU A 27 -1.100 -1.611 -3.943 1.00 0.00 C ATOM 415 C LEU A 27 -0.500 -1.041 -2.704 1.00 0.00 C ATOM 416 O LEU A 27 -1.016 -0.077 -2.141 1.00 0.00 O ATOM 417 CB LEU A 27 -1.930 -2.869 -3.631 1.00 0.00 C ATOM 418 CG LEU A 27 -3.173 -3.057 -4.516 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.243 -2.000 -4.192 1.00 0.00 C ATOM 420 CD2 LEU A 27 -2.904 -3.093 -6.029 1.00 0.00 C ATOM 0 H LEU A 27 -0.048 -2.883 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.761 -0.841 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.290 -3.745 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.246 -2.829 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.538 -4.053 -4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.112 -2.154 -4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.540 -2.091 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.836 -1.004 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.845 -3.229 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.443 -2.155 -6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.233 -3.920 -6.260 1.00 0.00 H new ATOM 432 N TYR A 28 0.657 -1.564 -2.261 1.00 0.00 N ATOM 433 CA TYR A 28 1.513 -1.008 -1.260 1.00 0.00 C ATOM 434 C TYR A 28 1.877 0.405 -1.564 1.00 0.00 C ATOM 435 O TYR A 28 1.730 1.267 -0.697 1.00 0.00 O ATOM 436 CB TYR A 28 2.762 -1.887 -1.078 1.00 0.00 C ATOM 437 CG TYR A 28 3.871 -1.297 -0.278 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.774 -0.469 -0.901 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.027 -1.568 1.061 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.804 0.111 -0.198 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.101 -1.059 1.753 1.00 0.00 C ATOM 442 CZ TYR A 28 5.982 -0.208 1.127 1.00 0.00 C ATOM 443 OH TYR A 28 7.070 0.361 1.822 1.00 0.00 O ATOM 0 H TYR A 28 1.020 -2.442 -2.632 1.00 0.00 H new ATOM 0 HA TYR A 28 0.965 -0.993 -0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.458 -2.821 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.149 -2.141 -2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.673 -0.271 -1.958 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.302 -2.184 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.468 0.811 -0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.253 -1.327 2.788 1.00 0.00 H new ATOM 0 HH TYR A 28 7.051 1.335 1.718 1.00 0.00 H new ATOM 453 N ALA A 29 2.344 0.711 -2.787 1.00 0.00 N ATOM 454 CA ALA A 29 2.758 2.024 -3.175 1.00 0.00 C ATOM 455 C ALA A 29 1.719 3.070 -2.963 1.00 0.00 C ATOM 456 O ALA A 29 1.968 4.114 -2.361 1.00 0.00 O ATOM 457 CB ALA A 29 3.219 1.989 -4.642 1.00 0.00 C ATOM 0 H ALA A 29 2.437 0.021 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 29 3.585 2.311 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.537 2.986 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.053 1.295 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.394 1.661 -5.275 1.00 0.00 H new ATOM 463 N LEU A 30 0.471 2.800 -3.386 1.00 0.00 N ATOM 464 CA LEU A 30 -0.649 3.642 -3.102 1.00 0.00 C ATOM 465 C LEU A 30 -1.035 3.709 -1.664 1.00 0.00 C ATOM 466 O LEU A 30 -1.201 4.804 -1.128 1.00 0.00 O ATOM 467 CB LEU A 30 -1.908 3.192 -3.862 1.00 0.00 C ATOM 468 CG LEU A 30 -1.965 3.696 -5.314 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.288 2.725 -6.296 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.448 3.860 -5.688 1.00 0.00 C ATOM 0 H LEU A 30 0.235 1.976 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.303 4.625 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.952 2.103 -3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.790 3.546 -3.329 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.425 4.641 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.355 3.125 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.240 2.603 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.789 1.758 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.527 4.217 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.954 2.899 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.915 4.580 -5.016 1.00 0.00 H new ATOM 482 N TYR A 31 -1.190 2.555 -0.991 1.00 0.00 N ATOM 483 CA TYR A 31 -1.529 2.427 0.392 1.00 0.00 C ATOM 484 C TYR A 31 -0.625 3.244 1.251 1.00 0.00 C ATOM 485 O TYR A 31 -1.033 4.066 2.070 1.00 0.00 O ATOM 486 CB TYR A 31 -1.522 0.964 0.866 1.00 0.00 C ATOM 487 CG TYR A 31 -1.756 0.860 2.334 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.774 1.547 2.953 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.815 0.221 3.107 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.910 1.519 4.321 1.00 0.00 C ATOM 491 CE2 TYR A 31 -0.910 0.238 4.479 1.00 0.00 C ATOM 492 CZ TYR A 31 -1.964 0.879 5.086 1.00 0.00 C ATOM 493 OH TYR A 31 -2.051 0.946 6.493 1.00 0.00 O ATOM 0 H TYR A 31 -1.070 1.650 -1.446 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.547 2.804 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.292 0.405 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.565 0.505 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.474 2.115 2.358 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.005 -0.298 2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.756 1.997 4.792 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.157 -0.252 5.079 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.310 0.442 6.891 1.00 0.00 H new ATOM 503 N LYS A 32 0.695 3.058 1.078 1.00 0.00 N ATOM 504 CA LYS A 32 1.704 3.829 1.738 1.00 0.00 C ATOM 505 C LYS A 32 1.754 5.244 1.273 1.00 0.00 C ATOM 506 O LYS A 32 2.123 6.115 2.060 1.00 0.00 O ATOM 507 CB LYS A 32 3.052 3.094 1.667 1.00 0.00 C ATOM 508 CG LYS A 32 3.054 1.682 2.255 1.00 0.00 C ATOM 509 CD LYS A 32 2.646 1.533 3.723 1.00 0.00 C ATOM 510 CE LYS A 32 3.422 2.445 4.675 1.00 0.00 C ATOM 511 NZ LYS A 32 3.196 2.061 6.086 1.00 0.00 N ATOM 0 H LYS A 32 1.075 2.345 0.456 1.00 0.00 H new ATOM 0 HA LYS A 32 1.440 3.916 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.362 3.037 0.624 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.801 3.689 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.385 1.065 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.057 1.270 2.140 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.581 1.746 3.818 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.792 0.497 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.487 2.392 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.115 3.480 4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.734 2.696 6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.183 2.135 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.512 1.081 6.234 1.00 0.00 H new ATOM 525 N GLN A 33 1.327 5.597 0.048 1.00 0.00 N ATOM 526 CA GLN A 33 1.220 6.971 -0.334 1.00 0.00 C ATOM 527 C GLN A 33 0.243 7.789 0.437 1.00 0.00 C ATOM 528 O GLN A 33 0.611 8.832 0.977 1.00 0.00 O ATOM 529 CB GLN A 33 0.929 7.211 -1.825 1.00 0.00 C ATOM 530 CG GLN A 33 2.191 7.488 -2.644 1.00 0.00 C ATOM 531 CD GLN A 33 2.884 8.792 -2.277 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.433 9.890 -2.603 1.00 0.00 O ATOM 533 NE2 GLN A 33 4.043 8.695 -1.572 1.00 0.00 N ATOM 0 H GLN A 33 1.056 4.933 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 33 2.229 7.306 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.421 6.338 -2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.246 8.054 -1.925 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.891 6.664 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.929 7.511 -3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.405 7.778 -1.309 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.551 9.539 -1.306 1.00 0.00 H new ATOM 542 N ALA A 34 -1.038 7.393 0.542 1.00 0.00 N ATOM 543 CA ALA A 34 -1.985 8.190 1.259 1.00 0.00 C ATOM 544 C ALA A 34 -2.130 7.770 2.681 1.00 0.00 C ATOM 545 O ALA A 34 -2.840 8.404 3.459 1.00 0.00 O ATOM 546 CB ALA A 34 -3.321 8.402 0.524 1.00 0.00 C ATOM 0 H ALA A 34 -1.414 6.535 0.138 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.553 9.190 1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.980 9.016 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.138 8.903 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.792 7.437 0.340 1.00 0.00 H new ATOM 552 N THR A 35 -1.396 6.735 3.129 1.00 0.00 N ATOM 553 CA THR A 35 -1.106 6.564 4.519 1.00 0.00 C ATOM 554 C THR A 35 -0.120 7.576 4.991 1.00 0.00 C ATOM 555 O THR A 35 -0.411 8.368 5.886 1.00 0.00 O ATOM 556 CB THR A 35 -0.636 5.189 4.889 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.692 4.264 4.679 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.312 5.098 6.391 1.00 0.00 C ATOM 0 H THR A 35 -1.002 6.014 2.525 1.00 0.00 H new ATOM 0 HA THR A 35 -2.061 6.710 5.024 1.00 0.00 H new ATOM 0 HB THR A 35 0.245 4.974 4.284 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.695 3.978 3.742 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.026 4.090 6.630 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.474 5.812 6.638 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.206 5.328 6.971 1.00 0.00 H new ATOM 566 N VAL A 36 1.097 7.624 4.418 1.00 0.00 N ATOM 567 CA VAL A 36 2.150 8.490 4.850 1.00 0.00 C ATOM 568 C VAL A 36 2.076 9.853 4.253 1.00 0.00 C ATOM 569 O VAL A 36 1.967 10.862 4.948 1.00 0.00 O ATOM 570 CB VAL A 36 3.491 7.904 4.524 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.610 8.721 5.191 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.571 6.433 4.965 1.00 0.00 C ATOM 0 H VAL A 36 1.357 7.038 3.625 1.00 0.00 H new ATOM 0 HA VAL A 36 2.023 8.586 5.928 1.00 0.00 H new ATOM 0 HB VAL A 36 3.623 7.944 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.577 8.283 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.575 9.749 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.472 8.712 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.554 6.032 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.413 6.367 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.803 5.856 4.449 1.00 0.00 H new ATOM 582 N GLY A 37 2.179 9.945 2.914 1.00 0.00 N ATOM 583 CA GLY A 37 2.221 11.146 2.139 1.00 0.00 C ATOM 584 C GLY A 37 3.577 11.502 1.635 1.00 0.00 C ATOM 585 O GLY A 37 3.729 12.402 0.810 1.00 0.00 O ATOM 0 H GLY A 37 2.237 9.112 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.546 11.040 1.289 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.844 11.969 2.745 1.00 0.00 H new ATOM 589 N ASP A 38 4.608 10.779 2.110 1.00 0.00 N ATOM 590 CA ASP A 38 5.955 10.805 1.635 1.00 0.00 C ATOM 591 C ASP A 38 6.322 9.372 1.450 1.00 0.00 C ATOM 592 O ASP A 38 5.739 8.512 2.107 1.00 0.00 O ATOM 593 CB ASP A 38 6.919 11.368 2.694 1.00 0.00 C ATOM 594 CG ASP A 38 6.739 12.865 2.907 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.932 13.264 3.789 1.00 0.00 O ATOM 596 OD2 ASP A 38 7.443 13.658 2.228 1.00 0.00 O ATOM 0 H ASP A 38 4.488 10.127 2.885 1.00 0.00 H new ATOM 0 HA ASP A 38 6.025 11.419 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.760 10.848 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.946 11.168 2.389 1.00 0.00 H new ATOM 601 N ASN A 39 7.331 9.016 0.634 1.00 0.00 N ATOM 602 CA ASN A 39 8.064 7.817 0.895 1.00 0.00 C ATOM 603 C ASN A 39 8.725 7.803 2.231 1.00 0.00 C ATOM 604 O ASN A 39 9.498 8.699 2.567 1.00 0.00 O ATOM 605 CB ASN A 39 8.999 7.388 -0.249 1.00 0.00 C ATOM 606 CG ASN A 39 10.147 8.296 -0.661 1.00 0.00 C ATOM 607 OD1 ASN A 39 10.829 8.024 -1.649 1.00 0.00 O ATOM 608 ND2 ASN A 39 10.414 9.422 0.054 1.00 0.00 N ATOM 0 H ASN A 39 7.633 9.543 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 39 7.303 7.038 0.937 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.428 6.424 0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.381 7.223 -1.131 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.177 10.037 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.851 9.651 0.873 1.00 0.00 H new ATOM 615 N ASP A 40 8.398 6.833 3.102 1.00 0.00 N ATOM 616 CA ASP A 40 8.719 6.877 4.496 1.00 0.00 C ATOM 617 C ASP A 40 10.005 6.199 4.822 1.00 0.00 C ATOM 618 O ASP A 40 11.045 6.833 4.988 1.00 0.00 O ATOM 619 CB ASP A 40 7.538 6.274 5.273 1.00 0.00 C ATOM 620 CG ASP A 40 7.475 6.602 6.759 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.317 7.377 7.285 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.546 6.065 7.419 1.00 0.00 O ATOM 0 H ASP A 40 7.894 5.990 2.828 1.00 0.00 H new ATOM 0 HA ASP A 40 8.872 7.915 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.612 6.613 4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.572 5.190 5.162 1.00 0.00 H new ATOM 627 N LYS A 41 9.982 4.860 4.947 1.00 0.00 N ATOM 628 CA LYS A 41 11.054 4.064 5.458 1.00 0.00 C ATOM 629 C LYS A 41 12.137 3.830 4.462 1.00 0.00 C ATOM 630 O LYS A 41 12.179 2.809 3.777 1.00 0.00 O ATOM 631 CB LYS A 41 10.515 2.711 5.954 1.00 0.00 C ATOM 632 CG LYS A 41 9.521 2.921 7.098 1.00 0.00 C ATOM 633 CD LYS A 41 9.078 1.640 7.808 1.00 0.00 C ATOM 634 CE LYS A 41 8.230 0.744 6.903 1.00 0.00 C ATOM 635 NZ LYS A 41 7.447 -0.223 7.704 1.00 0.00 N ATOM 0 H LYS A 41 9.171 4.303 4.677 1.00 0.00 H new ATOM 0 HA LYS A 41 11.492 4.626 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.029 2.183 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.341 2.085 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.970 3.590 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.638 3.426 6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.957 1.089 8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.506 1.899 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.556 1.357 6.305 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.875 0.208 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.879 -0.820 7.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.094 -0.821 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.816 0.292 8.351 1.00 0.00 H new ATOM 649 N GLU A 42 13.095 4.771 4.390 1.00 0.00 N ATOM 650 CA GLU A 42 14.174 4.816 3.452 1.00 0.00 C ATOM 651 C GLU A 42 15.283 3.890 3.817 1.00 0.00 C ATOM 652 O GLU A 42 16.467 4.221 3.858 1.00 0.00 O ATOM 653 CB GLU A 42 14.604 6.290 3.371 1.00 0.00 C ATOM 654 CG GLU A 42 15.477 6.670 2.173 1.00 0.00 C ATOM 655 CD GLU A 42 15.922 8.120 2.294 1.00 0.00 C ATOM 656 OE1 GLU A 42 16.558 8.486 3.319 1.00 0.00 O ATOM 657 OE2 GLU A 42 15.624 8.925 1.372 1.00 0.00 O ATOM 0 H GLU A 42 13.116 5.559 5.037 1.00 0.00 H new ATOM 0 HA GLU A 42 13.862 4.462 2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.707 6.909 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.145 6.541 4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.348 6.016 2.125 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.920 6.528 1.247 1.00 0.00 H new ATOM 664 N LYS A 43 14.878 2.641 4.113 1.00 0.00 N ATOM 665 CA LYS A 43 15.682 1.470 4.281 1.00 0.00 C ATOM 666 C LYS A 43 14.789 0.289 4.117 1.00 0.00 C ATOM 667 O LYS A 43 14.273 -0.220 5.110 1.00 0.00 O ATOM 668 CB LYS A 43 16.393 1.426 5.643 1.00 0.00 C ATOM 669 CG LYS A 43 17.376 0.262 5.782 1.00 0.00 C ATOM 670 CD LYS A 43 18.143 0.291 7.105 1.00 0.00 C ATOM 671 CE LYS A 43 19.119 -0.870 7.300 1.00 0.00 C ATOM 672 NZ LYS A 43 20.085 -0.927 6.180 1.00 0.00 N ATOM 0 H LYS A 43 13.888 2.434 4.247 1.00 0.00 H new ATOM 0 HA LYS A 43 16.475 1.473 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.928 2.363 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.645 1.355 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.832 -0.679 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.085 0.290 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.696 1.228 7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.426 0.288 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.653 -0.750 8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.569 -1.809 7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.840 -1.606 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.595 -1.230 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 20.500 0.015 6.031 1.00 0.00 H new ATOM 878 N TRP A 55 9.241 -0.740 -2.144 1.00 0.00 N ATOM 879 CA TRP A 55 9.715 0.571 -1.827 1.00 0.00 C ATOM 880 C TRP A 55 10.125 1.344 -3.033 1.00 0.00 C ATOM 881 O TRP A 55 9.895 2.549 -3.109 1.00 0.00 O ATOM 882 CB TRP A 55 10.798 0.537 -0.736 1.00 0.00 C ATOM 883 CG TRP A 55 10.810 1.759 0.152 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.083 2.002 1.282 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.519 2.978 -0.135 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.159 3.328 1.617 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.089 3.927 0.800 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.430 3.307 -1.101 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.586 5.201 0.773 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.891 4.602 -1.141 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.483 5.532 -0.215 1.00 0.00 C ATOM 0 HA TRP A 55 8.871 1.119 -1.408 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.649 -0.348 -0.118 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.774 0.434 -1.210 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.528 1.256 1.832 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.618 3.792 2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.777 2.571 -1.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.281 5.929 1.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.586 4.894 -1.914 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.873 6.538 -0.264 1.00 0.00 H new ATOM 902 N GLU A 56 10.661 0.704 -4.087 1.00 0.00 N ATOM 903 CA GLU A 56 10.915 1.330 -5.348 1.00 0.00 C ATOM 904 C GLU A 56 9.658 1.686 -6.064 1.00 0.00 C ATOM 905 O GLU A 56 9.562 2.731 -6.706 1.00 0.00 O ATOM 906 CB GLU A 56 11.804 0.485 -6.277 1.00 0.00 C ATOM 907 CG GLU A 56 13.296 0.575 -5.954 1.00 0.00 C ATOM 908 CD GLU A 56 14.173 -0.044 -7.033 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.926 0.209 -8.242 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.149 -0.768 -6.697 1.00 0.00 O ATOM 0 H GLU A 56 10.926 -0.281 -4.062 1.00 0.00 H new ATOM 0 HA GLU A 56 11.456 2.243 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.491 -0.557 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.645 0.805 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.572 1.621 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.488 0.074 -5.005 1.00 0.00 H new ATOM 917 N ALA A 57 8.599 0.866 -5.938 1.00 0.00 N ATOM 918 CA ALA A 57 7.309 1.136 -6.493 1.00 0.00 C ATOM 919 C ALA A 57 6.642 2.305 -5.853 1.00 0.00 C ATOM 920 O ALA A 57 5.863 3.020 -6.483 1.00 0.00 O ATOM 921 CB ALA A 57 6.416 -0.112 -6.384 1.00 0.00 C ATOM 0 H ALA A 57 8.643 -0.018 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 57 7.458 1.391 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.436 0.104 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.875 -0.937 -6.930 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.304 -0.389 -5.336 1.00 0.00 H new ATOM 927 N TRP A 58 6.971 2.560 -4.575 1.00 0.00 N ATOM 928 CA TRP A 58 6.535 3.678 -3.798 1.00 0.00 C ATOM 929 C TRP A 58 7.299 4.918 -4.114 1.00 0.00 C ATOM 930 O TRP A 58 6.736 6.007 -4.209 1.00 0.00 O ATOM 931 CB TRP A 58 6.634 3.331 -2.302 1.00 0.00 C ATOM 932 CG TRP A 58 5.990 4.297 -1.336 1.00 0.00 C ATOM 933 CD1 TRP A 58 4.994 5.210 -1.529 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.246 4.269 0.081 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.665 5.816 -0.346 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.430 5.254 0.651 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.039 3.459 0.846 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.427 5.439 2.006 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.943 3.587 2.211 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.145 4.553 2.775 1.00 0.00 C ATOM 0 H TRP A 58 7.586 1.940 -4.048 1.00 0.00 H new ATOM 0 HA TRP A 58 5.496 3.885 -4.053 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.186 2.349 -2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.689 3.243 -2.042 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.531 5.424 -2.481 1.00 0.00 H new ATOM 0 HE1 TRP A 58 3.973 6.556 -0.225 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.714 2.747 0.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.879 6.253 2.457 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.503 2.919 2.849 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.080 4.618 3.851 1.00 0.00 H new ATOM 951 N GLU A 59 8.620 4.808 -4.340 1.00 0.00 N ATOM 952 CA GLU A 59 9.491 5.865 -4.752 1.00 0.00 C ATOM 953 C GLU A 59 9.203 6.377 -6.122 1.00 0.00 C ATOM 954 O GLU A 59 9.596 7.477 -6.510 1.00 0.00 O ATOM 955 CB GLU A 59 10.948 5.404 -4.583 1.00 0.00 C ATOM 956 CG GLU A 59 12.030 6.486 -4.603 1.00 0.00 C ATOM 957 CD GLU A 59 12.401 6.995 -5.988 1.00 0.00 C ATOM 958 OE1 GLU A 59 12.702 6.158 -6.880 1.00 0.00 O ATOM 959 OE2 GLU A 59 12.435 8.236 -6.200 1.00 0.00 O ATOM 0 H GLU A 59 9.112 3.921 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 59 9.311 6.725 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.025 4.867 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.170 4.689 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.692 7.329 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.926 6.092 -4.124 1.00 0.00 H new ATOM 966 N ASN A 60 8.411 5.669 -6.946 1.00 0.00 N ATOM 967 CA ASN A 60 7.861 6.235 -8.139 1.00 0.00 C ATOM 968 C ASN A 60 6.747 7.193 -7.892 1.00 0.00 C ATOM 969 O ASN A 60 6.375 7.962 -8.776 1.00 0.00 O ATOM 970 CB ASN A 60 7.329 5.146 -9.085 1.00 0.00 C ATOM 971 CG ASN A 60 8.452 4.389 -9.779 1.00 0.00 C ATOM 972 OD1 ASN A 60 9.627 4.753 -9.786 1.00 0.00 O ATOM 973 ND2 ASN A 60 8.044 3.284 -10.459 1.00 0.00 N ATOM 0 H ASN A 60 8.150 4.696 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 60 8.693 6.776 -8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.715 4.444 -8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.683 5.602 -9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.719 2.735 -10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.063 3.004 -10.436 1.00 0.00 H new ATOM 980 N LEU A 61 6.137 7.202 -6.693 1.00 0.00 N ATOM 981 CA LEU A 61 5.020 8.035 -6.372 1.00 0.00 C ATOM 982 C LEU A 61 5.334 9.110 -5.390 1.00 0.00 C ATOM 983 O LEU A 61 4.549 10.041 -5.216 1.00 0.00 O ATOM 984 CB LEU A 61 3.904 7.191 -5.732 1.00 0.00 C ATOM 985 CG LEU A 61 3.454 5.980 -6.567 1.00 0.00 C ATOM 986 CD1 LEU A 61 2.303 5.324 -5.787 1.00 0.00 C ATOM 987 CD2 LEU A 61 2.992 6.339 -7.990 1.00 0.00 C ATOM 0 H LEU A 61 6.433 6.607 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 61 4.724 8.490 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.247 6.837 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.041 7.832 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 61 4.304 5.313 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.941 4.454 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.660 5.012 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.490 6.040 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.691 5.432 -8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.146 7.025 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.811 6.815 -8.529 1.00 0.00 H new ATOM 999 N LYS A 62 6.491 8.978 -4.716 1.00 0.00 N ATOM 1000 CA LYS A 62 6.923 9.464 -3.442 1.00 0.00 C ATOM 1001 C LYS A 62 6.410 10.705 -2.796 1.00 0.00 C ATOM 1002 O LYS A 62 6.347 10.714 -1.567 1.00 0.00 O ATOM 1003 CB LYS A 62 8.456 9.457 -3.315 1.00 0.00 C ATOM 1004 CG LYS A 62 9.263 9.785 -4.572 1.00 0.00 C ATOM 1005 CD LYS A 62 9.326 11.241 -5.040 1.00 0.00 C ATOM 1006 CE LYS A 62 10.517 11.490 -5.969 1.00 0.00 C ATOM 1007 NZ LYS A 62 10.661 10.419 -6.980 1.00 0.00 N ATOM 0 H LYS A 62 7.243 8.439 -5.144 1.00 0.00 H new ATOM 0 HA LYS A 62 6.384 8.712 -2.865 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.734 10.171 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.761 8.471 -2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.286 9.445 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.857 9.191 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.402 11.496 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.398 11.898 -4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.391 12.449 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.431 11.557 -5.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.067 10.816 -7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.290 9.677 -6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.728 10.010 -7.188 1.00 0.00 H new ATOM 1021 N GLY A 63 6.040 11.769 -3.530 1.00 0.00 N ATOM 1022 CA GLY A 63 5.467 12.921 -2.908 1.00 0.00 C ATOM 1023 C GLY A 63 4.412 13.521 -3.773 1.00 0.00 C ATOM 1024 O GLY A 63 4.004 14.659 -3.545 1.00 0.00 O ATOM 0 H GLY A 63 6.136 11.832 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.039 12.644 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.245 13.659 -2.712 1.00 0.00 H new ATOM 1028 N LYS A 64 3.931 12.790 -4.794 1.00 0.00 N ATOM 1029 CA LYS A 64 2.941 13.318 -5.680 1.00 0.00 C ATOM 1030 C LYS A 64 1.652 12.611 -5.433 1.00 0.00 C ATOM 1031 O LYS A 64 0.627 13.183 -5.067 1.00 0.00 O ATOM 1032 CB LYS A 64 3.293 13.146 -7.168 1.00 0.00 C ATOM 1033 CG LYS A 64 2.592 14.181 -8.050 1.00 0.00 C ATOM 1034 CD LYS A 64 2.375 13.758 -9.504 1.00 0.00 C ATOM 1035 CE LYS A 64 3.647 13.524 -10.320 1.00 0.00 C ATOM 1036 NZ LYS A 64 3.328 13.242 -11.738 1.00 0.00 N ATOM 0 H LYS A 64 4.226 11.837 -5.006 1.00 0.00 H new ATOM 0 HA LYS A 64 2.878 14.387 -5.477 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.372 13.232 -7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.012 12.144 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.623 14.415 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.178 15.100 -8.039 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.785 12.841 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.781 14.524 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.290 14.402 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.205 12.689 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.209 13.087 -12.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.734 12.390 -11.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.816 14.050 -12.146 1.00 0.00 H new ATOM 1050 N SER A 65 1.683 11.286 -5.659 1.00 0.00 N ATOM 1051 CA SER A 65 0.514 10.496 -5.897 1.00 0.00 C ATOM 1052 C SER A 65 -0.123 9.984 -4.651 1.00 0.00 C ATOM 1053 O SER A 65 -0.628 8.862 -4.626 1.00 0.00 O ATOM 1054 CB SER A 65 0.823 9.361 -6.886 1.00 0.00 C ATOM 1055 OG SER A 65 1.056 9.898 -8.180 1.00 0.00 O ATOM 0 H SER A 65 2.549 10.747 -5.677 1.00 0.00 H new ATOM 0 HA SER A 65 -0.225 11.159 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.698 8.803 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.010 8.659 -6.919 1.00 0.00 H new ATOM 0 HG SER A 65 0.241 10.336 -8.504 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.247 10.827 -3.610 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.187 10.705 -2.540 1.00 0.00 C ATOM 1063 C GLN A 66 -2.514 11.130 -3.068 1.00 0.00 C ATOM 1064 O GLN A 66 -3.551 10.541 -2.767 1.00 0.00 O ATOM 1065 CB GLN A 66 -0.741 11.596 -1.368 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.906 12.084 -0.504 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.518 12.869 0.741 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.844 14.048 0.865 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -0.877 12.188 1.729 1.00 0.00 N ATOM 0 H GLN A 66 0.350 11.648 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.248 9.681 -2.172 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.042 11.040 -0.743 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.202 12.458 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.554 12.709 -1.119 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.495 11.219 -0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.621 11.210 1.591 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.652 12.655 2.607 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.485 12.160 -3.932 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.575 12.796 -4.603 1.00 0.00 C ATOM 1080 C GLU A 67 -4.197 11.895 -5.615 1.00 0.00 C ATOM 1081 O GLU A 67 -5.382 11.995 -5.926 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.050 14.085 -5.258 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.810 15.179 -4.217 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.608 16.555 -4.836 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -1.609 16.760 -5.578 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.450 17.454 -4.574 1.00 0.00 O ATOM 0 H GLU A 67 -1.597 12.593 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.356 13.036 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.121 13.874 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.767 14.437 -6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.658 15.215 -3.534 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.933 14.922 -3.623 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.393 10.950 -6.134 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.840 9.816 -6.883 1.00 0.00 C ATOM 1095 C ASP A 68 -4.187 8.671 -5.996 1.00 0.00 C ATOM 1096 O ASP A 68 -5.280 8.131 -6.161 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.785 9.350 -7.902 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.451 10.484 -8.860 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.356 10.927 -9.616 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.275 10.939 -8.873 1.00 0.00 O ATOM 0 H ASP A 68 -2.379 10.978 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.733 10.142 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.884 9.025 -7.382 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.159 8.491 -8.459 1.00 0.00 H new ATOM 1105 N ALA A 69 -3.333 8.289 -5.028 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.575 7.216 -4.115 1.00 0.00 C ATOM 1107 C ALA A 69 -4.955 7.149 -3.557 1.00 0.00 C ATOM 1108 O ALA A 69 -5.690 6.195 -3.804 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.580 7.212 -2.942 1.00 0.00 C ATOM 0 H ALA A 69 -2.435 8.749 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.437 6.334 -4.740 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.805 6.379 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.565 7.106 -3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.663 8.149 -2.391 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.425 8.196 -2.853 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.768 8.320 -2.380 1.00 0.00 C ATOM 1117 C GLU A 70 -7.902 8.056 -3.310 1.00 0.00 C ATOM 1118 O GLU A 70 -8.987 7.691 -2.859 1.00 0.00 O ATOM 1119 CB GLU A 70 -6.923 9.717 -1.754 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.776 10.859 -2.761 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.867 11.907 -2.596 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -7.751 12.832 -1.746 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.884 11.793 -3.330 1.00 0.00 O ATOM 0 H GLU A 70 -4.840 8.993 -2.603 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.868 7.493 -1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.901 9.786 -1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.178 9.839 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.800 11.329 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.810 10.457 -3.773 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.779 8.277 -4.631 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.725 7.932 -5.646 1.00 0.00 C ATOM 1132 C LYS A 71 -8.525 6.568 -6.211 1.00 0.00 C ATOM 1133 O LYS A 71 -9.411 5.717 -6.162 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.690 8.962 -6.788 1.00 0.00 C ATOM 1135 CG LYS A 71 -9.134 10.354 -6.331 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.493 11.432 -7.206 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.816 12.872 -6.804 1.00 0.00 C ATOM 1138 NZ LYS A 71 -8.165 13.226 -5.522 1.00 0.00 N ATOM 0 H LYS A 71 -6.953 8.733 -5.018 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.699 7.938 -5.156 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.679 9.020 -7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.337 8.625 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.220 10.432 -6.384 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.854 10.508 -5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.411 11.299 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.813 11.279 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.482 13.555 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.895 12.994 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.107 14.261 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.723 12.844 -4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.207 12.822 -5.496 1.00 0.00 H new ATOM 1152 N GLU A 72 -7.345 6.346 -6.818 1.00 0.00 N ATOM 1153 CA GLU A 72 -7.045 5.190 -7.604 1.00 0.00 C ATOM 1154 C GLU A 72 -6.930 3.963 -6.766 1.00 0.00 C ATOM 1155 O GLU A 72 -7.094 2.855 -7.273 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.789 5.393 -8.468 1.00 0.00 C ATOM 1157 CG GLU A 72 -5.962 6.510 -9.498 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.887 6.566 -10.575 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -3.927 5.750 -10.570 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -5.011 7.435 -11.479 1.00 0.00 O ATOM 0 H GLU A 72 -6.566 7.002 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.887 5.046 -8.281 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.942 5.626 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.551 4.462 -8.983 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.932 6.391 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.981 7.466 -8.975 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.728 4.099 -5.443 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.654 2.967 -4.573 1.00 0.00 C ATOM 1169 C TYR A 73 -7.919 2.181 -4.549 1.00 0.00 C ATOM 1170 O TYR A 73 -7.882 0.975 -4.784 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.308 3.378 -3.132 1.00 0.00 C ATOM 1172 CG TYR A 73 -5.938 2.214 -2.278 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.778 1.522 -2.540 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.745 1.836 -1.231 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.379 0.492 -1.721 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.355 0.790 -0.429 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.167 0.133 -0.653 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.763 -0.929 0.185 1.00 0.00 O ATOM 0 H TYR A 73 -6.615 4.998 -4.974 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.859 2.342 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.482 4.089 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.161 3.892 -2.690 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.176 1.790 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.673 2.354 -1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.454 -0.031 -1.915 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.990 0.480 0.388 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.351 -0.566 0.997 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.089 2.800 -4.313 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.302 2.045 -4.376 1.00 0.00 C ATOM 1190 C ILE A 74 -10.596 1.388 -5.681 1.00 0.00 C ATOM 1191 O ILE A 74 -11.122 0.277 -5.727 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.498 2.787 -3.856 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.577 1.795 -3.393 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -12.032 3.814 -4.869 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.771 2.410 -2.664 1.00 0.00 C ATOM 0 H ILE A 74 -9.196 3.789 -4.086 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.095 1.223 -3.691 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.187 3.369 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.946 1.254 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.112 1.061 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -12.897 4.325 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.253 4.543 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -12.324 3.302 -5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.470 1.623 -2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.424 2.925 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -14.271 3.122 -3.321 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.198 1.992 -6.816 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.358 1.373 -8.096 1.00 0.00 C ATOM 1209 C ALA A 75 -9.544 0.143 -8.301 1.00 0.00 C ATOM 1210 O ALA A 75 -10.007 -0.832 -8.890 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.057 2.398 -9.202 1.00 0.00 C ATOM 0 H ALA A 75 -9.763 2.914 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.395 1.041 -8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.179 1.927 -10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.746 3.238 -9.116 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.033 2.756 -9.097 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.309 0.101 -7.770 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.492 -1.072 -7.743 1.00 0.00 C ATOM 1219 C LEU A 76 -8.021 -2.105 -6.809 1.00 0.00 C ATOM 1220 O LEU A 76 -8.058 -3.296 -7.119 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.085 -0.779 -7.193 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.214 0.182 -8.020 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -3.983 0.494 -7.152 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.816 -0.402 -9.387 1.00 0.00 C ATOM 0 H LEU A 76 -7.863 0.914 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.479 -1.412 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.189 -0.367 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.552 -1.725 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.771 1.088 -8.261 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.323 1.176 -7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.304 0.958 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.449 -0.430 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.202 0.320 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.249 -1.321 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.714 -0.619 -9.965 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.436 -1.668 -5.607 1.00 0.00 N ATOM 1237 CA VAL A 77 -8.877 -2.471 -4.509 1.00 0.00 C ATOM 1238 C VAL A 77 -10.188 -3.111 -4.813 1.00 0.00 C ATOM 1239 O VAL A 77 -10.463 -4.208 -4.330 1.00 0.00 O ATOM 1240 CB VAL A 77 -8.853 -1.689 -3.230 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.679 -2.354 -2.115 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.371 -1.609 -2.823 1.00 0.00 C ATOM 0 H VAL A 77 -8.465 -0.672 -5.387 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.178 -3.294 -4.359 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.300 -0.706 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.627 -1.746 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.718 -2.441 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.278 -3.346 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.279 -1.049 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.978 -2.616 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.805 -1.106 -3.607 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.019 -2.546 -5.708 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.185 -3.225 -6.181 1.00 0.00 C ATOM 1254 C ASP A 78 -11.868 -4.479 -6.921 1.00 0.00 C ATOM 1255 O ASP A 78 -12.540 -5.497 -6.765 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.006 -2.264 -7.059 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.443 -2.740 -7.214 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.159 -2.871 -6.185 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.866 -3.008 -8.370 1.00 0.00 O ATOM 0 H ASP A 78 -10.882 -1.616 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 78 -12.769 -3.529 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.997 -1.268 -6.616 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.541 -2.180 -8.041 1.00 0.00 H new ATOM 1264 N GLN A 79 -10.776 -4.472 -7.707 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.279 -5.615 -8.408 1.00 0.00 C ATOM 1266 C GLN A 79 -9.585 -6.594 -7.524 1.00 0.00 C ATOM 1267 O GLN A 79 -9.454 -7.768 -7.866 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.348 -5.186 -9.555 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.027 -4.427 -10.696 1.00 0.00 C ATOM 1270 CD GLN A 79 -10.709 -5.369 -11.678 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -11.383 -6.328 -11.308 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -10.513 -5.139 -13.004 1.00 0.00 N ATOM 0 H GLN A 79 -10.216 -3.634 -7.860 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.152 -6.124 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.556 -4.560 -9.144 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.870 -6.075 -9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.763 -3.736 -10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.286 -3.826 -11.224 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.953 -4.342 -13.306 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.926 -5.764 -13.696 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.149 -6.180 -6.321 1.00 0.00 N ATOM 1282 CA LEU A 80 -8.668 -7.023 -5.272 1.00 0.00 C ATOM 1283 C LEU A 80 -9.829 -7.699 -4.628 1.00 0.00 C ATOM 1284 O LEU A 80 -9.948 -8.923 -4.660 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.848 -6.257 -4.221 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.349 -6.145 -4.548 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.020 -5.174 -5.696 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.558 -5.780 -3.280 1.00 0.00 C ATOM 0 H LEU A 80 -9.132 -5.193 -6.066 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.994 -7.757 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.261 -5.254 -4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.962 -6.752 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.044 -7.128 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.943 -5.156 -5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.520 -5.504 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.364 -4.173 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.498 -5.703 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.912 -4.825 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.703 -6.553 -2.526 1.00 0.00 H new ATOM 1300 N ILE A 81 -10.770 -6.924 -4.059 1.00 0.00 N ATOM 1301 CA ILE A 81 -11.957 -7.327 -3.369 1.00 0.00 C ATOM 1302 C ILE A 81 -12.818 -8.256 -4.153 1.00 0.00 C ATOM 1303 O ILE A 81 -13.368 -9.210 -3.606 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.702 -6.083 -2.985 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.076 -5.405 -1.754 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.223 -6.231 -2.821 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.435 -6.053 -0.417 1.00 0.00 C ATOM 0 H ILE A 81 -10.688 -5.908 -4.087 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.670 -7.899 -2.486 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.587 -5.435 -3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -10.992 -5.410 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -12.389 -4.361 -1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.654 -5.269 -2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.660 -6.566 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.435 -6.963 -2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.949 -5.509 0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -13.516 -6.024 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.096 -7.089 -0.412 1.00 0.00 H new ATOM 1319 N ALA A 82 -12.906 -8.057 -5.481 1.00 0.00 N ATOM 1320 CA ALA A 82 -13.547 -8.934 -6.412 1.00 0.00 C ATOM 1321 C ALA A 82 -13.129 -10.361 -6.331 1.00 0.00 C ATOM 1322 O ALA A 82 -13.936 -11.267 -6.533 1.00 0.00 O ATOM 1323 CB ALA A 82 -13.318 -8.430 -7.848 1.00 0.00 C ATOM 0 H ALA A 82 -12.505 -7.234 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 82 -14.602 -8.913 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.809 -9.102 -8.552 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.734 -7.428 -7.953 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.249 -8.402 -8.058 1.00 0.00 H new ATOM 1329 N LYS A 83 -11.847 -10.635 -6.026 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.392 -11.916 -5.583 1.00 0.00 C ATOM 1331 C LYS A 83 -11.496 -12.067 -4.105 1.00 0.00 C ATOM 1332 O LYS A 83 -12.011 -13.059 -3.591 1.00 0.00 O ATOM 1333 CB LYS A 83 -9.946 -12.153 -6.050 1.00 0.00 C ATOM 1334 CG LYS A 83 -9.862 -12.514 -7.535 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.419 -12.647 -8.025 1.00 0.00 C ATOM 1336 CE LYS A 83 -8.197 -13.787 -9.021 1.00 0.00 C ATOM 1337 NZ LYS A 83 -9.038 -13.640 -10.231 1.00 0.00 N ATOM 0 H LYS A 83 -11.102 -9.941 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.042 -12.669 -6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.356 -11.256 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.503 -12.955 -5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.389 -13.452 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.372 -11.749 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.117 -11.709 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.768 -12.799 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.147 -13.815 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.420 -14.738 -8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.831 -14.415 -10.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.042 -13.673 -9.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.832 -12.729 -10.688 1.00 0.00 H new ATOM 1351 N TYR A 84 -10.957 -11.091 -3.351 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.413 -11.286 -2.043 1.00 0.00 C ATOM 1353 C TYR A 84 -11.373 -11.129 -0.914 1.00 0.00 C ATOM 1354 O TYR A 84 -11.060 -11.534 0.204 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.229 -10.330 -1.814 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.069 -10.504 -2.734 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.814 -11.656 -3.441 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.178 -9.463 -2.845 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.716 -11.761 -4.263 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.071 -9.556 -3.656 1.00 0.00 C ATOM 1361 CZ TYR A 84 -5.844 -10.705 -4.376 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.720 -10.790 -5.225 1.00 0.00 O ATOM 0 H TYR A 84 -10.898 -10.123 -3.668 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.104 -12.331 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.590 -9.306 -1.905 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.878 -10.455 -0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.489 -12.494 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.350 -8.556 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.540 -12.671 -4.818 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.381 -8.728 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.335 -11.689 -5.169 1.00 0.00 H new ATOM 1372 N SER A 85 -12.564 -10.553 -1.150 1.00 0.00 N ATOM 1373 CA SER A 85 -13.625 -10.398 -0.204 1.00 0.00 C ATOM 1374 C SER A 85 -13.953 -11.639 0.551 1.00 0.00 C ATOM 1375 O SER A 85 -13.935 -11.673 1.780 1.00 0.00 O ATOM 1376 CB SER A 85 -14.898 -9.886 -0.899 1.00 0.00 C ATOM 1377 OG SER A 85 -15.907 -9.446 -0.002 1.00 0.00 O ATOM 0 H SER A 85 -12.802 -10.169 -2.065 1.00 0.00 H new ATOM 0 HA SER A 85 -13.259 -9.670 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.632 -9.063 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.303 -10.681 -1.524 1.00 0.00 H new ATOM 0 HG SER A 85 -16.684 -9.134 -0.511 1.00 0.00 H new ATOM 1383 N SER A 86 -14.243 -12.727 -0.185 1.00 0.00 N ATOM 1384 CA SER A 86 -14.434 -14.032 0.367 1.00 0.00 C ATOM 1385 C SER A 86 -14.299 -15.045 -0.760 1.00 0.00 C ATOM 1386 O SER A 86 -15.086 -14.953 -1.740 1.00 0.00 O ATOM 1387 CB SER A 86 -15.822 -14.234 0.999 1.00 0.00 C ATOM 1388 OG SER A 86 -16.853 -13.990 0.054 1.00 0.00 O ATOM 1389 OXT SER A 86 -13.429 -15.954 -0.689 1.00 0.00 O ATOM 0 H SER A 86 -14.348 -12.697 -1.199 1.00 0.00 H new ATOM 0 HA SER A 86 -13.689 -14.159 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.907 -15.252 1.380 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.939 -13.564 1.851 1.00 0.00 H new ATOM 0 HG SER A 86 -16.514 -14.158 -0.850 1.00 0.00 H new