USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 884 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: B 9 GLN : amide:sc= -5.58! C(o=-4!,f=-5.7!) USER MOD Set 1.2: B 11 THR OG1 : rot 156:sc= 1.59 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -179:sc= 2.03 (180deg=1.04) USER MOD Set 2.2: A 86 THR OG1 : rot 77:sc= 0.81 USER MOD Set 3.1: A 71 ASN : amide:sc= -3.78 K(o=-4.7,f=-8.4!) USER MOD Set 3.2: A 90 SER OG : rot -29:sc= -0.924 USER MOD Set 4.1: A 31 LYS NZ :NH3+ 160:sc= -0.103 (180deg=-0.515) USER MOD Set 4.2: A 33 ASN : amide:sc= -4.9 K(o=-5,f=-7!) USER MOD Set 4.3: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -160:sc= -2.71 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.64 K(o=-1.6,f=-0.31) USER MOD Single : A 21 SER OG : rot 120:sc= -1.66 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 71:sc= 1.19 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -126:sc= 0.167 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.67 K(o=-2.7,f=-8.8!) USER MOD Single : A 39 HIS : no HD1:sc= -0.0203 K(o=-0.02,f=-1.2) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.512 K(o=0.51,f=-0.94) USER MOD Single : A 56 SER OG : rot -140:sc= -0.332 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.88! C(o=-2.9!,f=-3.1!) USER MOD Single : A 66 GLN : amide:sc= -6.3! K(o=-6.3!,f=-2.9) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -5.18! C(o=-5.2!,f=-14!) USER MOD Single : A 81 GLN : amide:sc= -5.09! K(o=-5.1!,f=-0.38) USER MOD Single : A 84 MET CE :methyl 177:sc= -2.98 (180deg=-3.13) USER MOD Single : A 91 MET CE :methyl 178:sc= -7.11! (180deg=-7.35!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.91) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -165:sc= -2.42 (180deg=-3.28) USER MOD Single : A 102 GLN : amide:sc= -7.41! C(o=-7.4!,f=-17!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : B 6 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.097) USER MOD Single : B 7 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 8 SER OG : rot 112:sc= 1.05 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -6.948 -9.617 -9.931 1.00 0.00 N ATOM 2 CA GLY A 7 -8.049 -8.707 -10.183 1.00 0.00 C ATOM 3 C GLY A 7 -8.139 -7.603 -9.147 1.00 0.00 C ATOM 4 O GLY A 7 -8.467 -6.463 -9.474 1.00 0.00 O ATOM 0 HA2 GLY A 7 -7.931 -8.264 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.984 -9.267 -10.194 1.00 0.00 H new ATOM 8 N THR A 8 -7.848 -7.942 -7.896 1.00 0.00 N ATOM 9 CA THR A 8 -7.899 -6.970 -6.811 1.00 0.00 C ATOM 10 C THR A 8 -6.564 -6.247 -6.659 1.00 0.00 C ATOM 11 O THR A 8 -6.514 -5.108 -6.196 1.00 0.00 O ATOM 12 CB THR A 8 -8.275 -7.658 -5.498 1.00 0.00 C ATOM 13 OG1 THR A 8 -7.318 -8.644 -5.156 1.00 0.00 O ATOM 14 CG2 THR A 8 -9.630 -8.329 -5.538 1.00 0.00 C ATOM 0 H THR A 8 -7.575 -8.882 -7.609 1.00 0.00 H new ATOM 0 HA THR A 8 -8.662 -6.231 -7.057 1.00 0.00 H new ATOM 0 HB THR A 8 -8.305 -6.861 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.712 -9.275 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.833 -8.797 -4.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.398 -7.585 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.637 -9.089 -6.319 1.00 0.00 H new ATOM 22 N ARG A 9 -5.483 -6.910 -7.053 1.00 0.00 N ATOM 23 CA ARG A 9 -4.154 -6.317 -6.959 1.00 0.00 C ATOM 24 C ARG A 9 -3.939 -5.302 -8.076 1.00 0.00 C ATOM 25 O ARG A 9 -3.891 -5.660 -9.253 1.00 0.00 O ATOM 26 CB ARG A 9 -3.080 -7.405 -7.020 1.00 0.00 C ATOM 27 CG ARG A 9 -2.056 -7.308 -5.900 1.00 0.00 C ATOM 28 CD ARG A 9 -1.011 -8.406 -6.005 1.00 0.00 C ATOM 29 NE ARG A 9 0.106 -8.186 -5.090 1.00 0.00 N ATOM 30 CZ ARG A 9 1.302 -8.756 -5.228 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.539 -9.578 -6.242 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.262 -8.500 -4.351 1.00 0.00 N ATOM 0 H ARG A 9 -5.500 -7.854 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.076 -5.800 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.561 -8.382 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.565 -7.343 -7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.567 -6.334 -5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.561 -7.376 -4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.473 -9.369 -5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.638 -8.455 -7.028 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.038 -7.559 -4.299 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.804 -9.776 -6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.457 -10.012 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.085 -7.867 -3.571 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.178 -8.936 -4.456 1.00 0.00 H new ATOM 46 N GLU A 10 -3.819 -4.031 -7.704 1.00 0.00 N ATOM 47 CA GLU A 10 -3.619 -2.967 -8.682 1.00 0.00 C ATOM 48 C GLU A 10 -2.449 -2.066 -8.300 1.00 0.00 C ATOM 49 O GLU A 10 -2.072 -1.977 -7.131 1.00 0.00 O ATOM 50 CB GLU A 10 -4.894 -2.134 -8.822 1.00 0.00 C ATOM 51 CG GLU A 10 -5.417 -1.592 -7.501 1.00 0.00 C ATOM 52 CD GLU A 10 -6.522 -0.572 -7.687 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.638 -0.970 -8.081 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.271 0.627 -7.437 1.00 0.00 O ATOM 0 H GLU A 10 -3.857 -3.714 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.384 -3.435 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.700 -1.300 -9.496 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.668 -2.745 -9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.788 -2.418 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.595 -1.136 -6.949 1.00 0.00 H new ATOM 61 N PHE A 11 -1.883 -1.396 -9.301 1.00 0.00 N ATOM 62 CA PHE A 11 -0.757 -0.495 -9.088 1.00 0.00 C ATOM 63 C PHE A 11 -1.239 0.946 -8.944 1.00 0.00 C ATOM 64 O PHE A 11 -2.272 1.322 -9.496 1.00 0.00 O ATOM 65 CB PHE A 11 0.233 -0.599 -10.250 1.00 0.00 C ATOM 66 CG PHE A 11 1.268 -1.672 -10.064 1.00 0.00 C ATOM 67 CD1 PHE A 11 0.939 -3.007 -10.228 1.00 0.00 C ATOM 68 CD2 PHE A 11 2.571 -1.342 -9.725 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.889 -3.996 -10.058 1.00 0.00 C ATOM 70 CE2 PHE A 11 3.526 -2.326 -9.554 1.00 0.00 C ATOM 71 CZ PHE A 11 3.185 -3.655 -9.720 1.00 0.00 C ATOM 0 H PHE A 11 -2.189 -1.462 -10.272 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.255 -0.788 -8.166 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.318 -0.793 -11.170 1.00 0.00 H new ATOM 0 HB3 PHE A 11 0.735 0.360 -10.376 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.072 -3.279 -10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.843 -0.305 -9.593 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.619 -5.034 -10.189 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.538 -2.057 -9.291 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.930 -4.426 -9.586 1.00 0.00 H new ATOM 81 N LEU A 12 -0.486 1.746 -8.195 1.00 0.00 N ATOM 82 CA LEU A 12 -0.838 3.144 -7.973 1.00 0.00 C ATOM 83 C LEU A 12 0.395 4.039 -8.077 1.00 0.00 C ATOM 84 O LEU A 12 1.279 3.994 -7.222 1.00 0.00 O ATOM 85 CB LEU A 12 -1.494 3.326 -6.600 1.00 0.00 C ATOM 86 CG LEU A 12 -2.333 2.142 -6.102 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.904 1.731 -4.700 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.816 2.489 -6.126 1.00 0.00 C ATOM 0 H LEU A 12 0.373 1.449 -7.731 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.549 3.434 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.712 3.527 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.131 4.210 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.166 1.299 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.511 0.890 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.854 1.438 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.039 2.570 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.395 1.637 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.999 3.348 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.117 2.731 -7.145 1.00 0.00 H new ATOM 100 N THR A 13 0.443 4.852 -9.126 1.00 0.00 N ATOM 101 CA THR A 13 1.564 5.763 -9.340 1.00 0.00 C ATOM 102 C THR A 13 1.225 7.161 -8.833 1.00 0.00 C ATOM 103 O THR A 13 0.164 7.703 -9.144 1.00 0.00 O ATOM 104 CB THR A 13 1.925 5.813 -10.826 1.00 0.00 C ATOM 105 OG1 THR A 13 2.308 4.532 -11.293 1.00 0.00 O ATOM 106 CG2 THR A 13 3.053 6.770 -11.136 1.00 0.00 C ATOM 0 H THR A 13 -0.281 4.900 -9.843 1.00 0.00 H new ATOM 0 HA THR A 13 2.422 5.393 -8.780 1.00 0.00 H new ATOM 0 HB THR A 13 1.024 6.164 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.533 4.585 -12.245 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.258 6.756 -12.206 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.768 7.778 -10.834 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.947 6.467 -10.592 1.00 0.00 H new ATOM 114 N PHE A 14 2.124 7.743 -8.039 1.00 0.00 N ATOM 115 CA PHE A 14 1.894 9.076 -7.486 1.00 0.00 C ATOM 116 C PHE A 14 3.163 9.925 -7.466 1.00 0.00 C ATOM 117 O PHE A 14 4.258 9.441 -7.740 1.00 0.00 O ATOM 118 CB PHE A 14 1.332 8.969 -6.068 1.00 0.00 C ATOM 119 CG PHE A 14 0.107 8.107 -5.972 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.000 8.367 -6.763 1.00 0.00 C ATOM 121 CD2 PHE A 14 0.064 7.038 -5.095 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.129 7.577 -6.679 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.062 6.241 -5.006 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.160 6.512 -5.799 1.00 0.00 C ATOM 0 H PHE A 14 3.010 7.317 -7.767 1.00 0.00 H new ATOM 0 HA PHE A 14 1.174 9.570 -8.138 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.102 8.566 -5.410 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.093 9.968 -5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.980 9.197 -7.453 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.920 6.824 -4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.986 7.791 -7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.083 5.409 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.042 5.892 -5.731 1.00 0.00 H new ATOM 134 N GLU A 15 2.988 11.197 -7.121 1.00 0.00 N ATOM 135 CA GLU A 15 4.092 12.148 -7.030 1.00 0.00 C ATOM 136 C GLU A 15 4.062 12.816 -5.659 1.00 0.00 C ATOM 137 O GLU A 15 3.130 13.557 -5.343 1.00 0.00 O ATOM 138 CB GLU A 15 3.991 13.198 -8.140 1.00 0.00 C ATOM 139 CG GLU A 15 3.187 12.740 -9.348 1.00 0.00 C ATOM 140 CD GLU A 15 1.734 13.172 -9.282 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.434 14.311 -9.695 1.00 0.00 O ATOM 142 OE2 GLU A 15 0.898 12.370 -8.814 1.00 0.00 O ATOM 0 H GLU A 15 2.077 11.598 -6.897 1.00 0.00 H new ATOM 0 HA GLU A 15 5.036 11.618 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.535 14.101 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.996 13.467 -8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.640 13.141 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.236 11.654 -9.421 1.00 0.00 H new ATOM 149 N VAL A 16 5.057 12.517 -4.831 1.00 0.00 N ATOM 150 CA VAL A 16 5.105 13.060 -3.480 1.00 0.00 C ATOM 151 C VAL A 16 6.124 14.187 -3.326 1.00 0.00 C ATOM 152 O VAL A 16 7.327 13.966 -3.456 1.00 0.00 O ATOM 153 CB VAL A 16 5.446 11.952 -2.463 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.357 12.481 -1.040 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.536 10.749 -2.655 1.00 0.00 C ATOM 0 H VAL A 16 5.837 11.905 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 16 4.114 13.469 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 16 6.473 11.630 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.601 11.683 -0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.061 13.304 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.345 12.836 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.793 9.979 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.498 11.051 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.663 10.354 -3.663 1.00 0.00 H new ATOM 165 N PRO A 17 5.659 15.412 -3.006 1.00 0.00 N ATOM 166 CA PRO A 17 6.539 16.551 -2.796 1.00 0.00 C ATOM 167 C PRO A 17 6.988 16.629 -1.340 1.00 0.00 C ATOM 168 O PRO A 17 6.160 16.619 -0.432 1.00 0.00 O ATOM 169 CB PRO A 17 5.638 17.729 -3.149 1.00 0.00 C ATOM 170 CG PRO A 17 4.263 17.292 -2.753 1.00 0.00 C ATOM 171 CD PRO A 17 4.248 15.779 -2.794 1.00 0.00 C ATOM 0 HA PRO A 17 7.456 16.510 -3.384 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.936 18.630 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.688 17.960 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.017 17.653 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.517 17.703 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.862 15.359 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.614 15.408 -3.599 1.00 0.00 H new ATOM 179 N LEU A 18 8.296 16.692 -1.119 1.00 0.00 N ATOM 180 CA LEU A 18 8.836 16.744 0.237 1.00 0.00 C ATOM 181 C LEU A 18 9.564 18.052 0.498 1.00 0.00 C ATOM 182 O LEU A 18 10.491 18.105 1.305 1.00 0.00 O ATOM 183 CB LEU A 18 9.793 15.585 0.452 1.00 0.00 C ATOM 184 CG LEU A 18 10.790 15.413 -0.683 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.171 15.078 -0.144 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.315 14.345 -1.656 1.00 0.00 C ATOM 0 H LEU A 18 9.000 16.708 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 18 8.000 16.674 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.337 15.739 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.220 14.665 0.566 1.00 0.00 H new ATOM 0 HG LEU A 18 10.859 16.358 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.867 14.960 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.514 15.884 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.124 14.150 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.042 14.237 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.211 13.395 -1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.351 14.636 -2.074 1.00 0.00 H new ATOM 198 N ASN A 19 9.132 19.101 -0.182 1.00 0.00 N ATOM 199 CA ASN A 19 9.725 20.428 -0.027 1.00 0.00 C ATOM 200 C ASN A 19 10.087 20.711 1.430 1.00 0.00 C ATOM 201 O ASN A 19 11.053 21.416 1.721 1.00 0.00 O ATOM 202 CB ASN A 19 8.748 21.487 -0.534 1.00 0.00 C ATOM 203 CG ASN A 19 7.620 21.774 0.447 1.00 0.00 C ATOM 204 OD1 ASN A 19 7.401 22.923 0.833 1.00 0.00 O ATOM 205 ND2 ASN A 19 6.896 20.734 0.857 1.00 0.00 N ATOM 0 H ASN A 19 8.366 19.063 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 19 10.643 20.461 -0.613 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.292 22.410 -0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.323 21.157 -1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.129 20.874 1.514 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.109 19.797 0.514 1.00 0.00 H new ATOM 212 N ASP A 20 9.302 20.143 2.337 1.00 0.00 N ATOM 213 CA ASP A 20 9.523 20.312 3.766 1.00 0.00 C ATOM 214 C ASP A 20 9.954 18.995 4.393 1.00 0.00 C ATOM 215 O ASP A 20 10.721 18.971 5.355 1.00 0.00 O ATOM 216 CB ASP A 20 8.252 20.818 4.450 1.00 0.00 C ATOM 217 CG ASP A 20 7.738 22.106 3.837 1.00 0.00 C ATOM 218 OD1 ASP A 20 8.507 23.089 3.792 1.00 0.00 O ATOM 219 OD2 ASP A 20 6.568 22.132 3.403 1.00 0.00 O ATOM 0 H ASP A 20 8.500 19.557 2.104 1.00 0.00 H new ATOM 0 HA ASP A 20 10.314 21.049 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.478 20.053 4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.452 20.978 5.509 1.00 0.00 H new ATOM 224 N SER A 21 9.451 17.900 3.835 1.00 0.00 N ATOM 225 CA SER A 21 9.779 16.572 4.328 1.00 0.00 C ATOM 226 C SER A 21 11.197 16.169 3.927 1.00 0.00 C ATOM 227 O SER A 21 11.686 15.119 4.341 1.00 0.00 O ATOM 228 CB SER A 21 8.773 15.552 3.796 1.00 0.00 C ATOM 229 OG SER A 21 8.662 14.442 4.670 1.00 0.00 O ATOM 0 H SER A 21 8.813 17.908 3.039 1.00 0.00 H new ATOM 0 HA SER A 21 9.728 16.593 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.798 16.025 3.678 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.083 15.212 2.808 1.00 0.00 H new ATOM 0 HG SER A 21 7.738 14.367 4.988 1.00 0.00 H new ATOM 235 N GLY A 22 11.854 17.007 3.120 1.00 0.00 N ATOM 236 CA GLY A 22 13.212 16.711 2.686 1.00 0.00 C ATOM 237 C GLY A 22 14.096 16.203 3.812 1.00 0.00 C ATOM 238 O GLY A 22 15.032 15.439 3.577 1.00 0.00 O ATOM 0 H GLY A 22 11.471 17.881 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.180 15.965 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.656 17.611 2.260 1.00 0.00 H new ATOM 242 N SER A 23 13.796 16.626 5.036 1.00 0.00 N ATOM 243 CA SER A 23 14.568 16.204 6.199 1.00 0.00 C ATOM 244 C SER A 23 14.012 14.907 6.780 1.00 0.00 C ATOM 245 O SER A 23 14.759 14.080 7.302 1.00 0.00 O ATOM 246 CB SER A 23 14.559 17.300 7.268 1.00 0.00 C ATOM 247 OG SER A 23 13.288 17.397 7.887 1.00 0.00 O ATOM 0 H SER A 23 13.025 17.260 5.248 1.00 0.00 H new ATOM 0 HA SER A 23 15.594 16.027 5.878 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.318 17.085 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.821 18.256 6.815 1.00 0.00 H new ATOM 0 HG SER A 23 13.308 18.102 8.567 1.00 0.00 H new ATOM 253 N ALA A 24 12.698 14.736 6.682 1.00 0.00 N ATOM 254 CA ALA A 24 12.041 13.539 7.197 1.00 0.00 C ATOM 255 C ALA A 24 11.977 12.437 6.142 1.00 0.00 C ATOM 256 O ALA A 24 11.308 11.421 6.336 1.00 0.00 O ATOM 257 CB ALA A 24 10.638 13.876 7.685 1.00 0.00 C ATOM 0 H ALA A 24 12.066 15.411 6.251 1.00 0.00 H new ATOM 0 HA ALA A 24 12.634 13.169 8.034 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.159 12.974 8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.698 14.619 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.051 14.276 6.858 1.00 0.00 H new ATOM 263 N GLY A 25 12.665 12.638 5.019 1.00 0.00 N ATOM 264 CA GLY A 25 12.656 11.649 3.958 1.00 0.00 C ATOM 265 C GLY A 25 11.445 11.794 3.058 1.00 0.00 C ATOM 266 O GLY A 25 11.577 11.925 1.841 1.00 0.00 O ATOM 0 H GLY A 25 13.227 13.467 4.827 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.564 11.747 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.667 10.650 4.393 1.00 0.00 H new ATOM 270 N LEU A 26 10.263 11.780 3.663 1.00 0.00 N ATOM 271 CA LEU A 26 9.018 11.919 2.921 1.00 0.00 C ATOM 272 C LEU A 26 7.828 11.989 3.869 1.00 0.00 C ATOM 273 O LEU A 26 6.877 12.730 3.627 1.00 0.00 O ATOM 274 CB LEU A 26 8.840 10.764 1.936 1.00 0.00 C ATOM 275 CG LEU A 26 8.102 11.123 0.646 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.726 12.349 -0.008 1.00 0.00 C ATOM 277 CD2 LEU A 26 8.103 9.945 -0.314 1.00 0.00 C ATOM 0 H LEU A 26 10.142 11.673 4.670 1.00 0.00 H new ATOM 0 HA LEU A 26 9.067 12.850 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.824 10.372 1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.298 9.961 2.435 1.00 0.00 H new ATOM 0 HG LEU A 26 7.068 11.360 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.186 12.587 -0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.670 13.195 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.770 12.143 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.573 10.219 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.131 9.675 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.606 9.095 0.153 1.00 0.00 H new ATOM 289 N GLY A 27 7.889 11.225 4.955 1.00 0.00 N ATOM 290 CA GLY A 27 6.809 11.237 5.922 1.00 0.00 C ATOM 291 C GLY A 27 6.078 9.914 6.020 1.00 0.00 C ATOM 292 O GLY A 27 4.848 9.886 6.059 1.00 0.00 O ATOM 0 H GLY A 27 8.663 10.601 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.211 11.496 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.098 12.018 5.653 1.00 0.00 H new ATOM 296 N VAL A 28 6.826 8.817 6.069 1.00 0.00 N ATOM 297 CA VAL A 28 6.218 7.494 6.172 1.00 0.00 C ATOM 298 C VAL A 28 7.184 6.474 6.758 1.00 0.00 C ATOM 299 O VAL A 28 8.400 6.663 6.738 1.00 0.00 O ATOM 300 CB VAL A 28 5.734 6.978 4.803 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.697 7.914 4.211 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.905 6.801 3.847 1.00 0.00 C ATOM 0 H VAL A 28 7.846 8.816 6.039 1.00 0.00 H new ATOM 0 HA VAL A 28 5.363 7.608 6.838 1.00 0.00 H new ATOM 0 HB VAL A 28 5.268 6.004 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.370 7.530 3.245 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.842 7.981 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.134 8.904 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.539 6.436 2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.406 7.758 3.704 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.610 6.082 4.264 1.00 0.00 H new ATOM 312 N SER A 29 6.625 5.379 7.257 1.00 0.00 N ATOM 313 CA SER A 29 7.415 4.301 7.828 1.00 0.00 C ATOM 314 C SER A 29 7.202 3.033 7.011 1.00 0.00 C ATOM 315 O SER A 29 6.114 2.457 7.021 1.00 0.00 O ATOM 316 CB SER A 29 7.025 4.063 9.290 1.00 0.00 C ATOM 317 OG SER A 29 6.314 5.173 9.814 1.00 0.00 O ATOM 0 H SER A 29 5.618 5.216 7.277 1.00 0.00 H new ATOM 0 HA SER A 29 8.469 4.577 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.411 3.165 9.365 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.921 3.887 9.885 1.00 0.00 H new ATOM 0 HG SER A 29 5.422 5.211 9.409 1.00 0.00 H new ATOM 323 N VAL A 30 8.234 2.618 6.287 1.00 0.00 N ATOM 324 CA VAL A 30 8.144 1.432 5.445 1.00 0.00 C ATOM 325 C VAL A 30 8.918 0.260 6.037 1.00 0.00 C ATOM 326 O VAL A 30 10.033 0.423 6.531 1.00 0.00 O ATOM 327 CB VAL A 30 8.670 1.712 4.026 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.655 2.514 3.227 1.00 0.00 C ATOM 329 CG2 VAL A 30 10.006 2.440 4.086 1.00 0.00 C ATOM 0 H VAL A 30 9.141 3.084 6.266 1.00 0.00 H new ATOM 0 HA VAL A 30 7.087 1.169 5.394 1.00 0.00 H new ATOM 0 HB VAL A 30 8.823 0.758 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.046 2.702 2.227 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.724 1.952 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.467 3.464 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.363 2.630 3.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.881 3.387 4.610 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.732 1.825 4.617 1.00 0.00 H new ATOM 339 N LYS A 31 8.320 -0.923 5.970 1.00 0.00 N ATOM 340 CA LYS A 31 8.950 -2.131 6.486 1.00 0.00 C ATOM 341 C LYS A 31 8.663 -3.315 5.568 1.00 0.00 C ATOM 342 O LYS A 31 7.514 -3.564 5.203 1.00 0.00 O ATOM 343 CB LYS A 31 8.452 -2.431 7.901 1.00 0.00 C ATOM 344 CG LYS A 31 6.967 -2.755 7.970 1.00 0.00 C ATOM 345 CD LYS A 31 6.728 -4.250 8.119 1.00 0.00 C ATOM 346 CE LYS A 31 5.293 -4.624 7.779 1.00 0.00 C ATOM 347 NZ LYS A 31 4.641 -5.380 8.883 1.00 0.00 N ATOM 0 H LYS A 31 7.397 -1.071 5.562 1.00 0.00 H new ATOM 0 HA LYS A 31 10.027 -1.968 6.521 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.017 -3.271 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.658 -1.571 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.517 -2.228 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.473 -2.395 7.068 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.411 -4.795 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.952 -4.555 9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.721 -3.719 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.280 -5.225 6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.608 -5.325 8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.940 -6.375 8.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.919 -4.969 9.797 1.00 0.00 H new ATOM 361 N GLY A 32 9.713 -4.036 5.189 1.00 0.00 N ATOM 362 CA GLY A 32 9.545 -5.176 4.309 1.00 0.00 C ATOM 363 C GLY A 32 9.288 -6.468 5.055 1.00 0.00 C ATOM 364 O GLY A 32 9.643 -6.600 6.226 1.00 0.00 O ATOM 0 H GLY A 32 10.675 -3.851 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.714 -4.984 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.439 -5.289 3.696 1.00 0.00 H new ATOM 368 N ASN A 33 8.669 -7.425 4.370 1.00 0.00 N ATOM 369 CA ASN A 33 8.362 -8.719 4.967 1.00 0.00 C ATOM 370 C ASN A 33 8.867 -9.857 4.089 1.00 0.00 C ATOM 371 O ASN A 33 8.848 -9.763 2.861 1.00 0.00 O ATOM 372 CB ASN A 33 6.855 -8.862 5.182 1.00 0.00 C ATOM 373 CG ASN A 33 6.285 -7.749 6.040 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.280 -7.131 5.689 1.00 0.00 O ATOM 375 ND2 ASN A 33 6.927 -7.489 7.174 1.00 0.00 N ATOM 0 H ASN A 33 8.370 -7.328 3.400 1.00 0.00 H new ATOM 0 HA ASN A 33 8.868 -8.773 5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.352 -8.866 4.215 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.648 -9.823 5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.590 -6.752 7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.756 -8.027 7.425 1.00 0.00 H new ATOM 382 N ARG A 34 9.311 -10.934 4.725 1.00 0.00 N ATOM 383 CA ARG A 34 9.816 -12.093 4.002 1.00 0.00 C ATOM 384 C ARG A 34 8.724 -13.146 3.844 1.00 0.00 C ATOM 385 O ARG A 34 7.857 -13.288 4.706 1.00 0.00 O ATOM 386 CB ARG A 34 11.019 -12.696 4.729 1.00 0.00 C ATOM 387 CG ARG A 34 12.034 -11.664 5.188 1.00 0.00 C ATOM 388 CD ARG A 34 13.223 -12.318 5.873 1.00 0.00 C ATOM 389 NE ARG A 34 14.061 -11.342 6.566 1.00 0.00 N ATOM 390 CZ ARG A 34 13.757 -10.810 7.748 1.00 0.00 C ATOM 391 NH1 ARG A 34 12.636 -11.155 8.370 1.00 0.00 N ATOM 392 NH2 ARG A 34 14.576 -9.932 8.310 1.00 0.00 N ATOM 0 H ARG A 34 9.331 -11.028 5.740 1.00 0.00 H new ATOM 0 HA ARG A 34 10.131 -11.764 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.666 -13.256 5.595 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.512 -13.409 4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.379 -11.086 4.331 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.558 -10.964 5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.867 -13.061 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.821 -12.848 5.132 1.00 0.00 H new ATOM 0 HE ARG A 34 14.930 -11.051 6.118 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.003 -11.831 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.408 -10.744 9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.439 -9.664 7.837 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.343 -9.524 9.216 1.00 0.00 H new ATOM 406 N SER A 35 8.771 -13.879 2.736 1.00 0.00 N ATOM 407 CA SER A 35 7.787 -14.920 2.457 1.00 0.00 C ATOM 408 C SER A 35 7.538 -15.795 3.684 1.00 0.00 C ATOM 409 O SER A 35 8.462 -16.104 4.437 1.00 0.00 O ATOM 410 CB SER A 35 8.253 -15.790 1.286 1.00 0.00 C ATOM 411 OG SER A 35 7.214 -16.641 0.836 1.00 0.00 O ATOM 0 H SER A 35 9.483 -13.771 2.014 1.00 0.00 H new ATOM 0 HA SER A 35 6.850 -14.429 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.586 -15.153 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.110 -16.389 1.593 1.00 0.00 H new ATOM 0 HG SER A 35 7.537 -17.184 0.087 1.00 0.00 H new ATOM 417 N LYS A 36 6.284 -16.187 3.880 1.00 0.00 N ATOM 418 CA LYS A 36 5.911 -17.022 5.016 1.00 0.00 C ATOM 419 C LYS A 36 6.665 -18.349 4.992 1.00 0.00 C ATOM 420 O LYS A 36 6.861 -18.978 6.032 1.00 0.00 O ATOM 421 CB LYS A 36 4.401 -17.279 5.016 1.00 0.00 C ATOM 422 CG LYS A 36 3.832 -17.594 3.642 1.00 0.00 C ATOM 423 CD LYS A 36 3.172 -16.373 3.018 1.00 0.00 C ATOM 424 CE LYS A 36 1.848 -16.727 2.359 1.00 0.00 C ATOM 425 NZ LYS A 36 1.140 -15.520 1.850 1.00 0.00 N ATOM 0 H LYS A 36 5.508 -15.940 3.266 1.00 0.00 H new ATOM 0 HA LYS A 36 6.182 -16.489 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.183 -18.109 5.688 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.893 -16.402 5.417 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.629 -17.951 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.103 -18.400 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.006 -15.617 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.842 -15.935 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.026 -17.418 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.212 -17.245 3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.176 -15.493 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.656 -14.666 2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.093 -15.557 0.812 1.00 0.00 H new ATOM 439 N GLU A 37 7.086 -18.770 3.803 1.00 0.00 N ATOM 440 CA GLU A 37 7.818 -20.022 3.653 1.00 0.00 C ATOM 441 C GLU A 37 9.311 -19.816 3.896 1.00 0.00 C ATOM 442 O GLU A 37 9.848 -20.242 4.919 1.00 0.00 O ATOM 443 CB GLU A 37 7.593 -20.604 2.256 1.00 0.00 C ATOM 444 CG GLU A 37 6.138 -20.940 1.965 1.00 0.00 C ATOM 445 CD GLU A 37 5.988 -22.029 0.923 1.00 0.00 C ATOM 446 OE1 GLU A 37 6.414 -23.173 1.192 1.00 0.00 O ATOM 447 OE2 GLU A 37 5.446 -21.740 -0.164 1.00 0.00 O ATOM 0 H GLU A 37 6.933 -18.263 2.931 1.00 0.00 H new ATOM 0 HA GLU A 37 7.442 -20.723 4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.948 -19.891 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.195 -21.506 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.650 -21.255 2.887 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.623 -20.042 1.623 1.00 0.00 H new ATOM 454 N ASN A 38 9.975 -19.163 2.949 1.00 0.00 N ATOM 455 CA ASN A 38 11.406 -18.902 3.058 1.00 0.00 C ATOM 456 C ASN A 38 11.665 -17.430 3.379 1.00 0.00 C ATOM 457 O ASN A 38 10.766 -16.717 3.822 1.00 0.00 O ATOM 458 CB ASN A 38 12.114 -19.300 1.757 1.00 0.00 C ATOM 459 CG ASN A 38 11.755 -18.393 0.597 1.00 0.00 C ATOM 460 OD1 ASN A 38 12.504 -17.479 0.253 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.602 -18.643 -0.015 1.00 0.00 N ATOM 0 H ASN A 38 9.545 -18.804 2.096 1.00 0.00 H new ATOM 0 HA ASN A 38 11.807 -19.503 3.875 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.193 -19.275 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.852 -20.327 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.307 -18.066 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.012 -19.411 0.304 1.00 0.00 H new ATOM 468 N HIS A 39 12.897 -16.981 3.153 1.00 0.00 N ATOM 469 CA HIS A 39 13.263 -15.593 3.418 1.00 0.00 C ATOM 470 C HIS A 39 13.116 -14.739 2.162 1.00 0.00 C ATOM 471 O HIS A 39 13.873 -13.791 1.953 1.00 0.00 O ATOM 472 CB HIS A 39 14.700 -15.513 3.936 1.00 0.00 C ATOM 473 CG HIS A 39 14.860 -16.024 5.335 1.00 0.00 C ATOM 474 ND1 HIS A 39 14.040 -15.641 6.376 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.755 -16.894 5.864 1.00 0.00 C ATOM 476 CE1 HIS A 39 14.424 -16.253 7.483 1.00 0.00 C ATOM 477 NE2 HIS A 39 15.461 -17.017 7.199 1.00 0.00 N ATOM 0 H HIS A 39 13.656 -17.556 2.788 1.00 0.00 H new ATOM 0 HA HIS A 39 12.586 -15.206 4.179 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.349 -16.084 3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.035 -14.477 3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.551 -17.396 5.334 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.966 -16.146 8.455 1.00 0.00 H new ATOM 0 HE2 HIS A 39 15.963 -17.605 7.864 1.00 0.00 H new ATOM 486 N ALA A 40 12.137 -15.081 1.330 1.00 0.00 N ATOM 487 CA ALA A 40 11.891 -14.346 0.096 1.00 0.00 C ATOM 488 C ALA A 40 11.252 -12.993 0.385 1.00 0.00 C ATOM 489 O ALA A 40 10.069 -12.911 0.715 1.00 0.00 O ATOM 490 CB ALA A 40 11.008 -15.165 -0.836 1.00 0.00 C ATOM 0 H ALA A 40 11.501 -15.863 1.489 1.00 0.00 H new ATOM 0 HA ALA A 40 12.849 -14.168 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.831 -14.606 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 11.504 -16.106 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.056 -15.371 -0.347 1.00 0.00 H new ATOM 496 N ASP A 41 12.042 -11.931 0.261 1.00 0.00 N ATOM 497 CA ASP A 41 11.557 -10.580 0.510 1.00 0.00 C ATOM 498 C ASP A 41 10.323 -10.274 -0.333 1.00 0.00 C ATOM 499 O ASP A 41 10.420 -10.069 -1.543 1.00 0.00 O ATOM 500 CB ASP A 41 12.658 -9.562 0.208 1.00 0.00 C ATOM 501 CG ASP A 41 13.939 -9.852 0.966 1.00 0.00 C ATOM 502 OD1 ASP A 41 14.657 -10.798 0.577 1.00 0.00 O ATOM 503 OD2 ASP A 41 14.223 -9.136 1.948 1.00 0.00 O ATOM 0 H ASP A 41 13.024 -11.982 -0.011 1.00 0.00 H new ATOM 0 HA ASP A 41 11.279 -10.510 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.865 -9.562 -0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.306 -8.563 0.465 1.00 0.00 H new ATOM 508 N LEU A 42 9.164 -10.242 0.316 1.00 0.00 N ATOM 509 CA LEU A 42 7.910 -9.956 -0.371 1.00 0.00 C ATOM 510 C LEU A 42 7.877 -8.510 -0.859 1.00 0.00 C ATOM 511 O LEU A 42 7.177 -8.184 -1.817 1.00 0.00 O ATOM 512 CB LEU A 42 6.722 -10.216 0.558 1.00 0.00 C ATOM 513 CG LEU A 42 6.784 -11.529 1.341 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.615 -11.626 2.309 1.00 0.00 C ATOM 515 CD2 LEU A 42 6.792 -12.718 0.387 1.00 0.00 C ATOM 0 H LEU A 42 9.067 -10.411 1.317 1.00 0.00 H new ATOM 0 HA LEU A 42 7.839 -10.618 -1.234 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.648 -9.392 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.808 -10.208 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 42 7.709 -11.546 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.674 -12.566 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.654 -10.793 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.678 -11.589 1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.836 -13.644 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.884 -12.707 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.662 -12.654 -0.267 1.00 0.00 H new ATOM 527 N GLY A 43 8.635 -7.651 -0.188 1.00 0.00 N ATOM 528 CA GLY A 43 8.678 -6.248 -0.557 1.00 0.00 C ATOM 529 C GLY A 43 8.440 -5.340 0.631 1.00 0.00 C ATOM 530 O GLY A 43 8.263 -5.815 1.753 1.00 0.00 O ATOM 0 H GLY A 43 9.222 -7.902 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.648 -6.019 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.925 -6.051 -1.320 1.00 0.00 H new ATOM 534 N ILE A 44 8.432 -4.034 0.390 1.00 0.00 N ATOM 535 CA ILE A 44 8.213 -3.062 1.457 1.00 0.00 C ATOM 536 C ILE A 44 6.803 -2.484 1.399 1.00 0.00 C ATOM 537 O ILE A 44 6.324 -2.092 0.336 1.00 0.00 O ATOM 538 CB ILE A 44 9.233 -1.905 1.398 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.481 -1.477 -0.053 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.535 -2.312 2.074 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.610 -2.228 -0.725 1.00 0.00 C ATOM 0 H ILE A 44 8.574 -3.623 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 44 8.345 -3.600 2.396 1.00 0.00 H new ATOM 0 HB ILE A 44 8.821 -1.051 1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.566 -1.624 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.703 -0.410 -0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.244 -1.486 2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.341 -2.561 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.953 -3.180 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.726 -1.871 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.536 -2.061 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.382 -3.294 -0.736 1.00 0.00 H new ATOM 553 N PHE A 45 6.142 -2.439 2.553 1.00 0.00 N ATOM 554 CA PHE A 45 4.784 -1.911 2.639 1.00 0.00 C ATOM 555 C PHE A 45 4.713 -0.757 3.632 1.00 0.00 C ATOM 556 O PHE A 45 5.407 -0.754 4.650 1.00 0.00 O ATOM 557 CB PHE A 45 3.798 -3.009 3.056 1.00 0.00 C ATOM 558 CG PHE A 45 4.245 -4.401 2.703 1.00 0.00 C ATOM 559 CD1 PHE A 45 5.270 -5.011 3.407 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.641 -5.098 1.668 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.684 -6.290 3.088 1.00 0.00 C ATOM 562 CE2 PHE A 45 4.051 -6.376 1.343 1.00 0.00 C ATOM 563 CZ PHE A 45 5.074 -6.974 2.054 1.00 0.00 C ATOM 0 H PHE A 45 6.525 -2.762 3.441 1.00 0.00 H new ATOM 0 HA PHE A 45 4.509 -1.544 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.641 -2.951 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.835 -2.817 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.752 -4.480 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.840 -4.636 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.483 -6.755 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.573 -6.908 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.396 -7.974 1.802 1.00 0.00 H new ATOM 573 N VAL A 46 3.862 0.218 3.331 1.00 0.00 N ATOM 574 CA VAL A 46 3.688 1.374 4.198 1.00 0.00 C ATOM 575 C VAL A 46 3.192 0.946 5.572 1.00 0.00 C ATOM 576 O VAL A 46 2.024 0.597 5.738 1.00 0.00 O ATOM 577 CB VAL A 46 2.692 2.382 3.589 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.594 3.634 4.450 1.00 0.00 C ATOM 579 CG2 VAL A 46 3.097 2.740 2.167 1.00 0.00 C ATOM 0 H VAL A 46 3.282 0.229 2.492 1.00 0.00 H new ATOM 0 HA VAL A 46 4.661 1.856 4.298 1.00 0.00 H new ATOM 0 HB VAL A 46 1.708 1.913 3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.886 4.330 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.252 3.363 5.449 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.574 4.107 4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.383 3.452 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.092 3.186 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.107 1.839 1.554 1.00 0.00 H new ATOM 589 N LYS A 47 4.088 0.967 6.555 1.00 0.00 N ATOM 590 CA LYS A 47 3.736 0.577 7.914 1.00 0.00 C ATOM 591 C LYS A 47 2.952 1.685 8.607 1.00 0.00 C ATOM 592 O LYS A 47 2.016 1.415 9.362 1.00 0.00 O ATOM 593 CB LYS A 47 4.998 0.237 8.718 1.00 0.00 C ATOM 594 CG LYS A 47 4.750 0.050 10.207 1.00 0.00 C ATOM 595 CD LYS A 47 3.732 -1.049 10.470 1.00 0.00 C ATOM 596 CE LYS A 47 4.395 -2.414 10.563 1.00 0.00 C ATOM 597 NZ LYS A 47 3.825 -3.236 11.667 1.00 0.00 N ATOM 0 H LYS A 47 5.061 1.250 6.435 1.00 0.00 H new ATOM 0 HA LYS A 47 3.105 -0.310 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.438 -0.676 8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.730 1.032 8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.688 -0.195 10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.395 0.986 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.199 -0.838 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.990 -1.058 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.273 -2.942 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.466 -2.287 10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.304 -4.159 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.964 -2.745 12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.808 -3.379 11.504 1.00 0.00 H new ATOM 611 N SER A 48 3.331 2.930 8.345 1.00 0.00 N ATOM 612 CA SER A 48 2.652 4.071 8.946 1.00 0.00 C ATOM 613 C SER A 48 3.075 5.380 8.289 1.00 0.00 C ATOM 614 O SER A 48 4.259 5.719 8.260 1.00 0.00 O ATOM 615 CB SER A 48 2.935 4.126 10.449 1.00 0.00 C ATOM 616 OG SER A 48 1.786 4.536 11.169 1.00 0.00 O ATOM 0 H SER A 48 4.102 3.175 7.723 1.00 0.00 H new ATOM 0 HA SER A 48 1.582 3.942 8.786 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.256 3.144 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.755 4.817 10.643 1.00 0.00 H new ATOM 0 HG SER A 48 1.992 4.562 12.127 1.00 0.00 H new ATOM 622 N ILE A 49 2.098 6.114 7.767 1.00 0.00 N ATOM 623 CA ILE A 49 2.360 7.390 7.112 1.00 0.00 C ATOM 624 C ILE A 49 2.312 8.541 8.110 1.00 0.00 C ATOM 625 O ILE A 49 1.334 8.703 8.842 1.00 0.00 O ATOM 626 CB ILE A 49 1.344 7.664 5.986 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.344 6.514 4.983 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.651 8.981 5.283 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.299 6.665 3.900 1.00 0.00 C ATOM 0 H ILE A 49 1.114 5.846 7.785 1.00 0.00 H new ATOM 0 HA ILE A 49 3.360 7.324 6.683 1.00 0.00 H new ATOM 0 HB ILE A 49 0.353 7.742 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.329 6.444 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.174 5.578 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.920 9.151 4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.603 9.798 6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.650 8.938 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.353 5.814 3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.692 6.705 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.481 7.585 3.344 1.00 0.00 H new ATOM 641 N ILE A 50 3.367 9.342 8.124 1.00 0.00 N ATOM 642 CA ILE A 50 3.445 10.487 9.022 1.00 0.00 C ATOM 643 C ILE A 50 2.396 11.531 8.650 1.00 0.00 C ATOM 644 O ILE A 50 2.514 12.199 7.624 1.00 0.00 O ATOM 645 CB ILE A 50 4.851 11.135 8.989 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.846 10.284 9.778 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.817 12.553 9.550 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.800 9.495 8.908 1.00 0.00 C ATOM 0 H ILE A 50 4.182 9.221 7.523 1.00 0.00 H new ATOM 0 HA ILE A 50 3.254 10.124 10.032 1.00 0.00 H new ATOM 0 HB ILE A 50 5.172 11.187 7.949 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.423 10.933 10.437 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.294 9.593 10.415 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.818 12.983 9.514 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.138 13.164 8.954 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.470 12.527 10.583 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.474 8.917 9.539 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.234 8.819 8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.380 10.180 8.290 1.00 0.00 H new ATOM 660 N ASN A 51 1.375 11.669 9.490 1.00 0.00 N ATOM 661 CA ASN A 51 0.312 12.639 9.246 1.00 0.00 C ATOM 662 C ASN A 51 0.869 14.058 9.291 1.00 0.00 C ATOM 663 O ASN A 51 0.693 14.779 10.273 1.00 0.00 O ATOM 664 CB ASN A 51 -0.817 12.481 10.271 1.00 0.00 C ATOM 665 CG ASN A 51 -0.305 12.216 11.675 1.00 0.00 C ATOM 666 OD1 ASN A 51 -0.493 11.129 12.222 1.00 0.00 O ATOM 667 ND2 ASN A 51 0.347 13.210 12.266 1.00 0.00 N ATOM 0 H ASN A 51 1.261 11.123 10.344 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.098 12.452 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.426 13.385 10.276 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.467 11.661 9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.715 13.089 13.210 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.480 14.095 11.776 1.00 0.00 H new ATOM 674 N GLY A 52 1.549 14.446 8.219 1.00 0.00 N ATOM 675 CA GLY A 52 2.138 15.764 8.142 1.00 0.00 C ATOM 676 C GLY A 52 3.240 15.818 7.105 1.00 0.00 C ATOM 677 O GLY A 52 3.518 16.874 6.537 1.00 0.00 O ATOM 0 H GLY A 52 1.702 13.863 7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.368 16.494 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.540 16.042 9.116 1.00 0.00 H new ATOM 681 N GLY A 53 3.865 14.669 6.851 1.00 0.00 N ATOM 682 CA GLY A 53 4.927 14.608 5.873 1.00 0.00 C ATOM 683 C GLY A 53 4.403 14.615 4.452 1.00 0.00 C ATOM 684 O GLY A 53 3.195 14.573 4.225 1.00 0.00 O ATOM 0 H GLY A 53 3.651 13.782 7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.597 15.456 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.516 13.706 6.036 1.00 0.00 H new ATOM 688 N ALA A 54 5.322 14.676 3.501 1.00 0.00 N ATOM 689 CA ALA A 54 4.987 14.704 2.081 1.00 0.00 C ATOM 690 C ALA A 54 3.961 13.648 1.686 1.00 0.00 C ATOM 691 O ALA A 54 3.012 13.939 0.956 1.00 0.00 O ATOM 692 CB ALA A 54 6.250 14.522 1.259 1.00 0.00 C ATOM 0 H ALA A 54 6.324 14.708 3.690 1.00 0.00 H new ATOM 0 HA ALA A 54 4.534 15.675 1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.000 14.543 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.949 15.328 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.709 13.564 1.505 1.00 0.00 H new ATOM 698 N ALA A 55 4.163 12.423 2.142 1.00 0.00 N ATOM 699 CA ALA A 55 3.260 11.329 1.800 1.00 0.00 C ATOM 700 C ALA A 55 1.849 11.584 2.305 1.00 0.00 C ATOM 701 O ALA A 55 0.871 11.257 1.632 1.00 0.00 O ATOM 702 CB ALA A 55 3.787 10.013 2.341 1.00 0.00 C ATOM 0 H ALA A 55 4.940 12.158 2.748 1.00 0.00 H new ATOM 0 HA ALA A 55 3.215 11.270 0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.100 9.209 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.767 9.809 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.873 10.074 3.426 1.00 0.00 H new ATOM 708 N SER A 56 1.744 12.163 3.489 1.00 0.00 N ATOM 709 CA SER A 56 0.444 12.453 4.074 1.00 0.00 C ATOM 710 C SER A 56 -0.253 13.581 3.321 1.00 0.00 C ATOM 711 O SER A 56 -1.450 13.508 3.047 1.00 0.00 O ATOM 712 CB SER A 56 0.593 12.825 5.545 1.00 0.00 C ATOM 713 OG SER A 56 -0.642 13.261 6.089 1.00 0.00 O ATOM 0 H SER A 56 2.540 12.441 4.063 1.00 0.00 H new ATOM 0 HA SER A 56 -0.168 11.554 3.995 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.957 11.964 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.339 13.613 5.650 1.00 0.00 H new ATOM 0 HG SER A 56 -0.486 14.020 6.688 1.00 0.00 H new ATOM 719 N LYS A 57 0.502 14.624 2.987 1.00 0.00 N ATOM 720 CA LYS A 57 -0.062 15.764 2.264 1.00 0.00 C ATOM 721 C LYS A 57 -0.489 15.361 0.855 1.00 0.00 C ATOM 722 O LYS A 57 -1.375 15.980 0.266 1.00 0.00 O ATOM 723 CB LYS A 57 0.907 16.952 2.185 1.00 0.00 C ATOM 724 CG LYS A 57 2.375 16.604 2.367 1.00 0.00 C ATOM 725 CD LYS A 57 2.935 17.211 3.641 1.00 0.00 C ATOM 726 CE LYS A 57 2.729 18.719 3.684 1.00 0.00 C ATOM 727 NZ LYS A 57 4.011 19.451 3.883 1.00 0.00 N ATOM 0 H LYS A 57 1.496 14.705 3.202 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.935 16.083 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.783 17.438 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.626 17.680 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.493 15.521 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.945 16.964 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.453 16.753 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.999 16.987 3.714 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.264 19.048 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.040 18.968 4.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.826 20.474 3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.443 19.156 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.660 19.234 3.100 1.00 0.00 H new ATOM 741 N ASP A 58 0.147 14.323 0.317 1.00 0.00 N ATOM 742 CA ASP A 58 -0.166 13.845 -1.026 1.00 0.00 C ATOM 743 C ASP A 58 -1.650 13.525 -1.169 1.00 0.00 C ATOM 744 O ASP A 58 -2.313 14.005 -2.088 1.00 0.00 O ATOM 745 CB ASP A 58 0.661 12.601 -1.353 1.00 0.00 C ATOM 746 CG ASP A 58 1.940 12.939 -2.088 1.00 0.00 C ATOM 747 OD1 ASP A 58 2.857 13.493 -1.451 1.00 0.00 O ATOM 748 OD2 ASP A 58 2.023 12.652 -3.300 1.00 0.00 O ATOM 0 H ASP A 58 0.882 13.797 0.791 1.00 0.00 H new ATOM 0 HA ASP A 58 0.083 14.641 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.903 12.075 -0.429 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.065 11.920 -1.960 1.00 0.00 H new ATOM 753 N GLY A 59 -2.162 12.704 -0.262 1.00 0.00 N ATOM 754 CA GLY A 59 -3.561 12.324 -0.314 1.00 0.00 C ATOM 755 C GLY A 59 -3.788 11.061 -1.127 1.00 0.00 C ATOM 756 O GLY A 59 -4.928 10.649 -1.338 1.00 0.00 O ATOM 0 H GLY A 59 -1.634 12.294 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.931 12.172 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.141 13.140 -0.746 1.00 0.00 H new ATOM 760 N ARG A 60 -2.698 10.443 -1.580 1.00 0.00 N ATOM 761 CA ARG A 60 -2.782 9.220 -2.367 1.00 0.00 C ATOM 762 C ARG A 60 -2.005 8.091 -1.693 1.00 0.00 C ATOM 763 O ARG A 60 -1.936 6.977 -2.212 1.00 0.00 O ATOM 764 CB ARG A 60 -2.234 9.456 -3.778 1.00 0.00 C ATOM 765 CG ARG A 60 -2.671 10.776 -4.397 1.00 0.00 C ATOM 766 CD ARG A 60 -1.595 11.348 -5.306 1.00 0.00 C ATOM 767 NE ARG A 60 -0.828 12.406 -4.652 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.118 13.323 -5.309 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.066 13.310 -6.635 1.00 0.00 N ATOM 770 NH2 ARG A 60 0.548 14.251 -4.636 1.00 0.00 N ATOM 0 H ARG A 60 -1.747 10.772 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.831 8.931 -2.436 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.145 9.425 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.556 8.639 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.588 10.626 -4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.900 11.491 -3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.920 10.550 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.057 11.742 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.836 12.445 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.571 12.595 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.479 14.015 -7.131 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.517 14.263 -3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.092 14.953 -5.138 1.00 0.00 H new ATOM 784 N LEU A 61 -1.419 8.388 -0.535 1.00 0.00 N ATOM 785 CA LEU A 61 -0.645 7.405 0.208 1.00 0.00 C ATOM 786 C LEU A 61 -1.462 6.821 1.356 1.00 0.00 C ATOM 787 O LEU A 61 -2.143 7.546 2.081 1.00 0.00 O ATOM 788 CB LEU A 61 0.635 8.047 0.748 1.00 0.00 C ATOM 789 CG LEU A 61 1.896 7.747 -0.065 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.510 9.030 -0.605 1.00 0.00 C ATOM 791 CD2 LEU A 61 2.905 6.979 0.777 1.00 0.00 C ATOM 0 H LEU A 61 -1.468 9.306 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.382 6.593 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.494 9.127 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.791 7.708 1.772 1.00 0.00 H new ATOM 0 HG LEU A 61 1.614 7.125 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.405 8.791 -1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.790 9.535 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.776 9.684 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.795 6.775 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.180 7.574 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.464 6.038 1.105 1.00 0.00 H new ATOM 803 N ARG A 62 -1.380 5.507 1.517 1.00 0.00 N ATOM 804 CA ARG A 62 -2.103 4.818 2.580 1.00 0.00 C ATOM 805 C ARG A 62 -1.306 3.626 3.093 1.00 0.00 C ATOM 806 O ARG A 62 -0.624 2.945 2.328 1.00 0.00 O ATOM 807 CB ARG A 62 -3.479 4.355 2.095 1.00 0.00 C ATOM 808 CG ARG A 62 -3.505 3.915 0.642 1.00 0.00 C ATOM 809 CD ARG A 62 -4.462 4.764 -0.177 1.00 0.00 C ATOM 810 NE ARG A 62 -4.078 4.823 -1.584 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.502 5.757 -2.429 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.329 6.711 -2.018 1.00 0.00 N ATOM 813 NH2 ARG A 62 -4.098 5.739 -3.692 1.00 0.00 N ATOM 0 H ARG A 62 -0.819 4.895 0.924 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.242 5.525 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.814 3.528 2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.193 5.167 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.502 3.986 0.221 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.803 2.868 0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.469 4.356 -0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.492 5.774 0.233 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.447 4.105 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.643 6.730 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.650 7.424 -2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.463 5.009 -4.014 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.423 6.455 -4.342 1.00 0.00 H new ATOM 827 N VAL A 63 -1.396 3.381 4.394 1.00 0.00 N ATOM 828 CA VAL A 63 -0.684 2.273 5.016 1.00 0.00 C ATOM 829 C VAL A 63 -1.097 0.939 4.397 1.00 0.00 C ATOM 830 O VAL A 63 -2.264 0.738 4.061 1.00 0.00 O ATOM 831 CB VAL A 63 -0.942 2.239 6.537 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.186 1.094 7.199 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.551 3.569 7.166 1.00 0.00 C ATOM 0 H VAL A 63 -1.957 3.937 5.040 1.00 0.00 H new ATOM 0 HA VAL A 63 0.380 2.428 4.840 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.007 2.072 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.388 1.096 8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.512 0.147 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.884 1.219 7.031 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.738 3.533 8.239 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.508 3.758 6.988 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.143 4.369 6.722 1.00 0.00 H new ATOM 843 N ASN A 64 -0.124 0.034 4.256 1.00 0.00 N ATOM 844 CA ASN A 64 -0.349 -1.300 3.684 1.00 0.00 C ATOM 845 C ASN A 64 -0.145 -1.307 2.170 1.00 0.00 C ATOM 846 O ASN A 64 -0.497 -2.276 1.497 1.00 0.00 O ATOM 847 CB ASN A 64 -1.748 -1.831 4.025 1.00 0.00 C ATOM 848 CG ASN A 64 -2.110 -1.624 5.482 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.367 -2.018 6.381 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.259 -1.002 5.723 1.00 0.00 N ATOM 0 H ASN A 64 0.842 0.204 4.535 1.00 0.00 H new ATOM 0 HA ASN A 64 0.392 -1.961 4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.485 -1.332 3.397 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.796 -2.894 3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.556 -0.834 6.684 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.844 -0.692 4.947 1.00 0.00 H new ATOM 857 N ASP A 65 0.435 -0.235 1.639 1.00 0.00 N ATOM 858 CA ASP A 65 0.693 -0.139 0.207 1.00 0.00 C ATOM 859 C ASP A 65 2.107 -0.619 -0.109 1.00 0.00 C ATOM 860 O ASP A 65 3.085 -0.073 0.401 1.00 0.00 O ATOM 861 CB ASP A 65 0.502 1.300 -0.278 1.00 0.00 C ATOM 862 CG ASP A 65 -0.570 1.414 -1.344 1.00 0.00 C ATOM 863 OD1 ASP A 65 -0.500 0.662 -2.338 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.479 2.256 -1.184 1.00 0.00 O ATOM 0 H ASP A 65 0.735 0.578 2.178 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.019 -0.778 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.237 1.934 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.446 1.675 -0.674 1.00 0.00 H new ATOM 869 N GLN A 66 2.208 -1.641 -0.952 1.00 0.00 N ATOM 870 CA GLN A 66 3.503 -2.193 -1.330 1.00 0.00 C ATOM 871 C GLN A 66 4.183 -1.309 -2.368 1.00 0.00 C ATOM 872 O GLN A 66 3.544 -0.837 -3.304 1.00 0.00 O ATOM 873 CB GLN A 66 3.333 -3.612 -1.875 1.00 0.00 C ATOM 874 CG GLN A 66 4.629 -4.241 -2.363 1.00 0.00 C ATOM 875 CD GLN A 66 5.005 -5.486 -1.584 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.537 -6.584 -1.884 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.853 -5.320 -0.577 1.00 0.00 N ATOM 0 H GLN A 66 1.409 -2.103 -1.386 1.00 0.00 H new ATOM 0 HA GLN A 66 4.134 -2.229 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.905 -4.242 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.617 -3.592 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.530 -4.494 -3.419 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.435 -3.511 -2.284 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.216 -4.391 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.142 -6.121 -0.016 1.00 0.00 H new ATOM 886 N LEU A 67 5.481 -1.087 -2.197 1.00 0.00 N ATOM 887 CA LEU A 67 6.240 -0.257 -3.124 1.00 0.00 C ATOM 888 C LEU A 67 6.897 -1.107 -4.208 1.00 0.00 C ATOM 889 O LEU A 67 7.385 -2.205 -3.938 1.00 0.00 O ATOM 890 CB LEU A 67 7.303 0.541 -2.369 1.00 0.00 C ATOM 891 CG LEU A 67 6.805 1.246 -1.106 1.00 0.00 C ATOM 892 CD1 LEU A 67 7.953 1.471 -0.133 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.132 2.565 -1.462 1.00 0.00 C ATOM 0 H LEU A 67 6.029 -1.470 -1.426 1.00 0.00 H new ATOM 0 HA LEU A 67 5.548 0.435 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.115 -0.132 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.722 1.288 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 67 6.067 0.607 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.580 1.974 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.387 0.511 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.715 2.090 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.784 3.053 -0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.846 3.212 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.283 2.375 -2.119 1.00 0.00 H new ATOM 905 N ILE A 68 6.902 -0.593 -5.433 1.00 0.00 N ATOM 906 CA ILE A 68 7.496 -1.307 -6.557 1.00 0.00 C ATOM 907 C ILE A 68 8.547 -0.458 -7.262 1.00 0.00 C ATOM 908 O ILE A 68 9.603 -0.958 -7.647 1.00 0.00 O ATOM 909 CB ILE A 68 6.430 -1.730 -7.584 1.00 0.00 C ATOM 910 CG1 ILE A 68 5.300 -2.491 -6.893 1.00 0.00 C ATOM 911 CG2 ILE A 68 7.054 -2.583 -8.681 1.00 0.00 C ATOM 912 CD1 ILE A 68 4.220 -1.592 -6.334 1.00 0.00 C ATOM 0 H ILE A 68 6.502 0.314 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 68 7.969 -2.197 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 68 6.015 -0.832 -8.042 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.852 -3.185 -7.604 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.718 -3.090 -6.084 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.286 -2.873 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.829 -2.010 -9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.495 -3.477 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.451 -2.200 -5.858 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.655 -0.915 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.775 -1.012 -7.142 1.00 0.00 H new ATOM 924 N ALA A 69 8.252 0.826 -7.437 1.00 0.00 N ATOM 925 CA ALA A 69 9.180 1.730 -8.106 1.00 0.00 C ATOM 926 C ALA A 69 9.233 3.084 -7.412 1.00 0.00 C ATOM 927 O ALA A 69 8.258 3.523 -6.803 1.00 0.00 O ATOM 928 CB ALA A 69 8.792 1.897 -9.568 1.00 0.00 C ATOM 0 H ALA A 69 7.383 1.262 -7.127 1.00 0.00 H new ATOM 0 HA ALA A 69 10.176 1.289 -8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.493 2.574 -10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.819 0.927 -10.065 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.785 2.309 -9.632 1.00 0.00 H new ATOM 934 N VAL A 70 10.381 3.744 -7.509 1.00 0.00 N ATOM 935 CA VAL A 70 10.567 5.054 -6.897 1.00 0.00 C ATOM 936 C VAL A 70 11.372 5.974 -7.808 1.00 0.00 C ATOM 937 O VAL A 70 12.514 5.678 -8.154 1.00 0.00 O ATOM 938 CB VAL A 70 11.277 4.942 -5.532 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.687 4.395 -5.698 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.302 6.293 -4.833 1.00 0.00 C ATOM 0 H VAL A 70 11.199 3.392 -8.007 1.00 0.00 H new ATOM 0 HA VAL A 70 9.575 5.478 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 70 10.716 4.244 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.167 4.325 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.642 3.405 -6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.263 5.062 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.806 6.196 -3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.837 7.013 -5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.281 6.639 -4.674 1.00 0.00 H new ATOM 950 N ASN A 71 10.763 7.089 -8.200 1.00 0.00 N ATOM 951 CA ASN A 71 11.421 8.050 -9.078 1.00 0.00 C ATOM 952 C ASN A 71 11.773 7.405 -10.413 1.00 0.00 C ATOM 953 O ASN A 71 12.733 7.803 -11.074 1.00 0.00 O ATOM 954 CB ASN A 71 12.687 8.599 -8.416 1.00 0.00 C ATOM 955 CG ASN A 71 12.382 9.541 -7.267 1.00 0.00 C ATOM 956 OD1 ASN A 71 11.805 10.610 -7.462 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.768 9.143 -6.061 1.00 0.00 N ATOM 0 H ASN A 71 9.816 7.349 -7.924 1.00 0.00 H new ATOM 0 HA ASN A 71 10.730 8.873 -9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.291 7.769 -8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.285 9.123 -9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.589 9.732 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.244 8.248 -5.947 1.00 0.00 H new ATOM 964 N GLY A 72 10.994 6.400 -10.800 1.00 0.00 N ATOM 965 CA GLY A 72 11.243 5.708 -12.050 1.00 0.00 C ATOM 966 C GLY A 72 12.289 4.621 -11.903 1.00 0.00 C ATOM 967 O GLY A 72 12.923 4.224 -12.881 1.00 0.00 O ATOM 0 H GLY A 72 10.195 6.053 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 72 10.313 5.269 -12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.570 6.426 -12.802 1.00 0.00 H new ATOM 971 N GLU A 73 12.473 4.143 -10.676 1.00 0.00 N ATOM 972 CA GLU A 73 13.451 3.097 -10.400 1.00 0.00 C ATOM 973 C GLU A 73 12.796 1.918 -9.690 1.00 0.00 C ATOM 974 O GLU A 73 12.318 2.046 -8.562 1.00 0.00 O ATOM 975 CB GLU A 73 14.596 3.651 -9.545 1.00 0.00 C ATOM 976 CG GLU A 73 14.906 5.117 -9.806 1.00 0.00 C ATOM 977 CD GLU A 73 16.388 5.378 -9.998 1.00 0.00 C ATOM 978 OE1 GLU A 73 17.201 4.543 -9.547 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.736 6.417 -10.599 1.00 0.00 O ATOM 0 H GLU A 73 11.957 4.464 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 73 13.854 2.749 -11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.344 3.525 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.494 3.061 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.366 5.446 -10.694 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.541 5.715 -8.971 1.00 0.00 H new ATOM 986 N SER A 74 12.772 0.771 -10.359 1.00 0.00 N ATOM 987 CA SER A 74 12.168 -0.431 -9.794 1.00 0.00 C ATOM 988 C SER A 74 12.862 -0.838 -8.498 1.00 0.00 C ATOM 989 O SER A 74 14.056 -0.593 -8.316 1.00 0.00 O ATOM 990 CB SER A 74 12.229 -1.578 -10.802 1.00 0.00 C ATOM 991 OG SER A 74 13.499 -2.207 -10.786 1.00 0.00 O ATOM 0 H SER A 74 13.163 0.648 -11.293 1.00 0.00 H new ATOM 0 HA SER A 74 11.125 -0.209 -9.568 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.455 -2.310 -10.571 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.021 -1.198 -11.802 1.00 0.00 H new ATOM 0 HG SER A 74 13.510 -2.938 -11.439 1.00 0.00 H new ATOM 997 N LEU A 75 12.105 -1.461 -7.603 1.00 0.00 N ATOM 998 CA LEU A 75 12.639 -1.906 -6.320 1.00 0.00 C ATOM 999 C LEU A 75 12.601 -3.429 -6.208 1.00 0.00 C ATOM 1000 O LEU A 75 13.431 -4.030 -5.528 1.00 0.00 O ATOM 1001 CB LEU A 75 11.842 -1.284 -5.171 1.00 0.00 C ATOM 1002 CG LEU A 75 11.959 0.235 -5.044 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.700 0.812 -4.413 1.00 0.00 C ATOM 1004 CD2 LEU A 75 13.184 0.606 -4.226 1.00 0.00 C ATOM 0 H LEU A 75 11.116 -1.670 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 75 13.677 -1.581 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.791 -1.542 -5.298 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.170 -1.737 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 75 12.071 0.660 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.798 1.894 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.838 0.573 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.560 0.382 -3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.253 1.691 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 75 13.101 0.172 -3.229 1.00 0.00 H new ATOM 0 HD23 LEU A 75 14.079 0.221 -4.716 1.00 0.00 H new ATOM 1016 N LEU A 76 11.628 -4.046 -6.876 1.00 0.00 N ATOM 1017 CA LEU A 76 11.478 -5.498 -6.846 1.00 0.00 C ATOM 1018 C LEU A 76 12.789 -6.196 -7.192 1.00 0.00 C ATOM 1019 O LEU A 76 13.105 -7.253 -6.647 1.00 0.00 O ATOM 1020 CB LEU A 76 10.380 -5.938 -7.817 1.00 0.00 C ATOM 1021 CG LEU A 76 8.961 -5.909 -7.243 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.957 -6.390 -8.278 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.879 -6.758 -5.983 1.00 0.00 C ATOM 0 H LEU A 76 10.932 -3.562 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 76 11.197 -5.784 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.414 -5.294 -8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.599 -6.951 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 76 8.716 -4.880 -6.981 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.954 -6.363 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.998 -5.741 -9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.199 -7.411 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.864 -6.726 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.144 -7.788 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.571 -6.369 -5.236 1.00 0.00 H new ATOM 1035 N GLY A 77 13.553 -5.594 -8.098 1.00 0.00 N ATOM 1036 CA GLY A 77 14.825 -6.171 -8.496 1.00 0.00 C ATOM 1037 C GLY A 77 15.769 -6.351 -7.322 1.00 0.00 C ATOM 1038 O GLY A 77 16.697 -7.157 -7.381 1.00 0.00 O ATOM 0 H GLY A 77 13.315 -4.718 -8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.651 -7.137 -8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.295 -5.530 -9.242 1.00 0.00 H new ATOM 1042 N LYS A 78 15.527 -5.599 -6.252 1.00 0.00 N ATOM 1043 CA LYS A 78 16.358 -5.676 -5.056 1.00 0.00 C ATOM 1044 C LYS A 78 15.533 -6.072 -3.846 1.00 0.00 C ATOM 1045 O LYS A 78 14.305 -5.976 -3.848 1.00 0.00 O ATOM 1046 CB LYS A 78 17.049 -4.336 -4.799 1.00 0.00 C ATOM 1047 CG LYS A 78 16.094 -3.155 -4.762 1.00 0.00 C ATOM 1048 CD LYS A 78 16.832 -1.849 -4.516 1.00 0.00 C ATOM 1049 CE LYS A 78 17.758 -1.504 -5.671 1.00 0.00 C ATOM 1050 NZ LYS A 78 19.055 -0.947 -5.196 1.00 0.00 N ATOM 0 H LYS A 78 14.761 -4.929 -6.189 1.00 0.00 H new ATOM 0 HA LYS A 78 17.116 -6.441 -5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.584 -4.389 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.794 -4.166 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 78 15.551 -3.095 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.353 -3.309 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.111 -1.044 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.410 -1.925 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.943 -2.398 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.270 -0.781 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.651 -0.709 -6.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.880 -0.090 -4.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.541 -1.653 -4.607 1.00 0.00 H new ATOM 1064 N ALA A 79 16.225 -6.523 -2.815 1.00 0.00 N ATOM 1065 CA ALA A 79 15.586 -6.946 -1.584 1.00 0.00 C ATOM 1066 C ALA A 79 14.787 -5.807 -0.959 1.00 0.00 C ATOM 1067 O ALA A 79 14.993 -4.640 -1.290 1.00 0.00 O ATOM 1068 CB ALA A 79 16.640 -7.456 -0.620 1.00 0.00 C ATOM 0 H ALA A 79 17.242 -6.606 -2.808 1.00 0.00 H new ATOM 0 HA ALA A 79 14.885 -7.750 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.162 -7.775 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.164 -8.301 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.353 -6.660 -0.405 1.00 0.00 H new ATOM 1074 N ASN A 80 13.870 -6.153 -0.059 1.00 0.00 N ATOM 1075 CA ASN A 80 13.039 -5.151 0.602 1.00 0.00 C ATOM 1076 C ASN A 80 13.895 -4.110 1.316 1.00 0.00 C ATOM 1077 O ASN A 80 13.626 -2.912 1.232 1.00 0.00 O ATOM 1078 CB ASN A 80 12.081 -5.815 1.594 1.00 0.00 C ATOM 1079 CG ASN A 80 12.752 -6.876 2.443 1.00 0.00 C ATOM 1080 OD1 ASN A 80 13.899 -6.722 2.862 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.037 -7.963 2.704 1.00 0.00 N ATOM 0 H ASN A 80 13.684 -7.114 0.228 1.00 0.00 H new ATOM 0 HA ASN A 80 12.455 -4.644 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.654 -5.052 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.253 -6.265 1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.435 -8.711 3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.089 -8.050 2.337 1.00 0.00 H new ATOM 1088 N GLN A 81 14.928 -4.570 2.016 1.00 0.00 N ATOM 1089 CA GLN A 81 15.822 -3.672 2.738 1.00 0.00 C ATOM 1090 C GLN A 81 16.572 -2.768 1.766 1.00 0.00 C ATOM 1091 O GLN A 81 16.709 -1.563 1.993 1.00 0.00 O ATOM 1092 CB GLN A 81 16.814 -4.469 3.588 1.00 0.00 C ATOM 1093 CG GLN A 81 17.468 -5.621 2.845 1.00 0.00 C ATOM 1094 CD GLN A 81 18.851 -5.276 2.337 1.00 0.00 C ATOM 1095 OE1 GLN A 81 19.735 -4.903 3.108 1.00 0.00 O ATOM 1096 NE2 GLN A 81 19.044 -5.400 1.031 1.00 0.00 N ATOM 0 H GLN A 81 15.166 -5.558 2.098 1.00 0.00 H new ATOM 0 HA GLN A 81 15.218 -3.050 3.399 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.590 -3.796 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.296 -4.860 4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.533 -6.485 3.507 1.00 0.00 H new ATOM 0 HG3 GLN A 81 16.838 -5.910 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 81 18.281 -5.713 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 81 19.955 -5.183 0.627 1.00 0.00 H new ATOM 1105 N GLU A 82 17.036 -3.355 0.670 1.00 0.00 N ATOM 1106 CA GLU A 82 17.754 -2.605 -0.348 1.00 0.00 C ATOM 1107 C GLU A 82 16.794 -1.669 -1.066 1.00 0.00 C ATOM 1108 O GLU A 82 17.172 -0.581 -1.498 1.00 0.00 O ATOM 1109 CB GLU A 82 18.415 -3.558 -1.348 1.00 0.00 C ATOM 1110 CG GLU A 82 19.930 -3.593 -1.245 1.00 0.00 C ATOM 1111 CD GLU A 82 20.613 -2.893 -2.404 1.00 0.00 C ATOM 1112 OE1 GLU A 82 20.020 -1.939 -2.953 1.00 0.00 O ATOM 1113 OE2 GLU A 82 21.739 -3.296 -2.763 1.00 0.00 O ATOM 0 H GLU A 82 16.927 -4.348 0.465 1.00 0.00 H new ATOM 0 HA GLU A 82 18.536 -2.016 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.025 -4.564 -1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 82 18.135 -3.262 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.237 -3.123 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.263 -4.630 -1.205 1.00 0.00 H new ATOM 1120 N ALA A 83 15.546 -2.106 -1.178 1.00 0.00 N ATOM 1121 CA ALA A 83 14.520 -1.315 -1.831 1.00 0.00 C ATOM 1122 C ALA A 83 14.171 -0.091 -0.995 1.00 0.00 C ATOM 1123 O ALA A 83 14.135 1.030 -1.501 1.00 0.00 O ATOM 1124 CB ALA A 83 13.283 -2.161 -2.085 1.00 0.00 C ATOM 0 H ALA A 83 15.223 -3.006 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 83 14.907 -0.971 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.522 -1.554 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.544 -3.004 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.895 -2.533 -1.136 1.00 0.00 H new ATOM 1130 N MET A 84 13.924 -0.313 0.291 1.00 0.00 N ATOM 1131 CA MET A 84 13.586 0.776 1.200 1.00 0.00 C ATOM 1132 C MET A 84 14.711 1.801 1.245 1.00 0.00 C ATOM 1133 O MET A 84 14.470 2.997 1.397 1.00 0.00 O ATOM 1134 CB MET A 84 13.304 0.245 2.602 1.00 0.00 C ATOM 1135 CG MET A 84 14.438 -0.578 3.185 1.00 0.00 C ATOM 1136 SD MET A 84 14.083 -1.152 4.857 1.00 0.00 S ATOM 1137 CE MET A 84 12.351 -1.579 4.700 1.00 0.00 C ATOM 0 H MET A 84 13.951 -1.235 0.727 1.00 0.00 H new ATOM 0 HA MET A 84 12.684 1.260 0.827 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.100 1.086 3.265 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.401 -0.365 2.574 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.628 -1.437 2.542 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.349 0.020 3.195 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.994 -2.002 5.639 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.776 -0.684 4.463 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.228 -2.311 3.902 1.00 0.00 H new ATOM 1147 N GLU A 85 15.945 1.325 1.097 1.00 0.00 N ATOM 1148 CA GLU A 85 17.101 2.211 1.102 1.00 0.00 C ATOM 1149 C GLU A 85 17.225 2.908 -0.250 1.00 0.00 C ATOM 1150 O GLU A 85 17.691 4.043 -0.342 1.00 0.00 O ATOM 1151 CB GLU A 85 18.382 1.425 1.433 1.00 0.00 C ATOM 1152 CG GLU A 85 19.248 1.094 0.223 1.00 0.00 C ATOM 1153 CD GLU A 85 20.151 -0.101 0.461 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.386 -0.442 1.641 1.00 0.00 O ATOM 1155 OE2 GLU A 85 20.625 -0.696 -0.529 1.00 0.00 O ATOM 0 H GLU A 85 16.167 0.337 0.973 1.00 0.00 H new ATOM 0 HA GLU A 85 16.964 2.969 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.975 2.003 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.105 0.496 1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.606 0.894 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.858 1.961 -0.030 1.00 0.00 H new ATOM 1162 N THR A 86 16.794 2.209 -1.296 1.00 0.00 N ATOM 1163 CA THR A 86 16.839 2.742 -2.650 1.00 0.00 C ATOM 1164 C THR A 86 15.824 3.870 -2.815 1.00 0.00 C ATOM 1165 O THR A 86 16.085 4.856 -3.501 1.00 0.00 O ATOM 1166 CB THR A 86 16.568 1.617 -3.661 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.761 0.911 -3.952 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.987 2.094 -4.977 1.00 0.00 C ATOM 0 H THR A 86 16.408 1.267 -1.229 1.00 0.00 H new ATOM 0 HA THR A 86 17.832 3.151 -2.837 1.00 0.00 H new ATOM 0 HB THR A 86 15.829 0.979 -3.177 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.971 0.304 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.825 1.240 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.037 2.596 -4.795 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.680 2.790 -5.450 1.00 0.00 H new ATOM 1176 N LEU A 87 14.673 3.724 -2.166 1.00 0.00 N ATOM 1177 CA LEU A 87 13.633 4.740 -2.229 1.00 0.00 C ATOM 1178 C LEU A 87 13.985 5.883 -1.295 1.00 0.00 C ATOM 1179 O LEU A 87 13.709 7.050 -1.576 1.00 0.00 O ATOM 1180 CB LEU A 87 12.268 4.148 -1.860 1.00 0.00 C ATOM 1181 CG LEU A 87 12.175 3.529 -0.464 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.052 4.612 0.599 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.997 2.568 -0.392 1.00 0.00 C ATOM 0 H LEU A 87 14.439 2.914 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 87 13.569 5.116 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.517 4.934 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.012 3.385 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 87 13.091 2.970 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.987 4.149 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.927 5.261 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.154 5.202 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.942 2.134 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.074 3.107 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.130 1.773 -1.126 1.00 0.00 H new ATOM 1195 N ARG A 88 14.612 5.525 -0.181 1.00 0.00 N ATOM 1196 CA ARG A 88 15.034 6.487 0.820 1.00 0.00 C ATOM 1197 C ARG A 88 16.034 7.477 0.223 1.00 0.00 C ATOM 1198 O ARG A 88 15.908 8.690 0.400 1.00 0.00 O ATOM 1199 CB ARG A 88 15.640 5.727 2.008 1.00 0.00 C ATOM 1200 CG ARG A 88 16.967 6.275 2.504 1.00 0.00 C ATOM 1201 CD ARG A 88 17.459 5.520 3.729 1.00 0.00 C ATOM 1202 NE ARG A 88 18.350 6.332 4.553 1.00 0.00 N ATOM 1203 CZ ARG A 88 19.210 5.826 5.437 1.00 0.00 C ATOM 1204 NH1 ARG A 88 19.297 4.514 5.613 1.00 0.00 N ATOM 1205 NH2 ARG A 88 19.984 6.636 6.146 1.00 0.00 N ATOM 0 H ARG A 88 14.841 4.558 0.050 1.00 0.00 H new ATOM 0 HA ARG A 88 14.177 7.064 1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.927 5.740 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.777 4.684 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.710 6.205 1.710 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.858 7.332 2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.604 5.201 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.981 4.617 3.412 1.00 0.00 H new ATOM 0 HE ARG A 88 18.312 7.346 4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.704 3.886 5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 88 19.957 4.133 6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 88 19.921 7.646 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 88 20.642 6.250 6.823 1.00 0.00 H new ATOM 1219 N ARG A 89 17.024 6.951 -0.488 1.00 0.00 N ATOM 1220 CA ARG A 89 18.037 7.787 -1.118 1.00 0.00 C ATOM 1221 C ARG A 89 17.452 8.512 -2.330 1.00 0.00 C ATOM 1222 O ARG A 89 17.699 9.699 -2.537 1.00 0.00 O ATOM 1223 CB ARG A 89 19.262 6.932 -1.501 1.00 0.00 C ATOM 1224 CG ARG A 89 19.516 6.789 -3.000 1.00 0.00 C ATOM 1225 CD ARG A 89 18.706 5.649 -3.595 1.00 0.00 C ATOM 1226 NE ARG A 89 19.506 4.821 -4.494 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.803 5.160 -5.747 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.364 6.304 -6.254 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.541 4.349 -6.494 1.00 0.00 N ATOM 0 H ARG A 89 17.146 5.950 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 89 18.367 8.547 -0.410 1.00 0.00 H new ATOM 0 HB2 ARG A 89 20.148 7.369 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.138 5.937 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 89 19.260 7.721 -3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.577 6.613 -3.175 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.306 5.030 -2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.853 6.055 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 89 19.858 3.931 -4.141 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.795 6.930 -5.683 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.595 6.558 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.880 3.468 -6.108 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.770 4.607 -7.454 1.00 0.00 H new ATOM 1243 N SER A 90 16.678 7.784 -3.128 1.00 0.00 N ATOM 1244 CA SER A 90 16.059 8.350 -4.322 1.00 0.00 C ATOM 1245 C SER A 90 15.112 9.493 -3.969 1.00 0.00 C ATOM 1246 O SER A 90 14.911 10.411 -4.764 1.00 0.00 O ATOM 1247 CB SER A 90 15.300 7.265 -5.088 1.00 0.00 C ATOM 1248 OG SER A 90 14.056 6.977 -4.473 1.00 0.00 O ATOM 0 H SER A 90 16.464 6.799 -2.970 1.00 0.00 H new ATOM 0 HA SER A 90 16.854 8.749 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.134 7.590 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.904 6.359 -5.134 1.00 0.00 H new ATOM 0 HG SER A 90 14.120 7.146 -3.510 1.00 0.00 H new ATOM 1254 N MET A 91 14.522 9.427 -2.780 1.00 0.00 N ATOM 1255 CA MET A 91 13.585 10.452 -2.332 1.00 0.00 C ATOM 1256 C MET A 91 14.301 11.623 -1.664 1.00 0.00 C ATOM 1257 O MET A 91 13.870 12.770 -1.778 1.00 0.00 O ATOM 1258 CB MET A 91 12.569 9.848 -1.365 1.00 0.00 C ATOM 1259 CG MET A 91 13.154 9.468 -0.014 1.00 0.00 C ATOM 1260 SD MET A 91 11.904 8.890 1.150 1.00 0.00 S ATOM 1261 CE MET A 91 10.708 8.159 0.035 1.00 0.00 C ATOM 0 H MET A 91 14.676 8.674 -2.109 1.00 0.00 H new ATOM 0 HA MET A 91 13.070 10.834 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.760 10.562 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 91 12.130 8.961 -1.822 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.902 8.688 -0.154 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.668 10.331 0.410 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.891 7.726 0.611 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.315 8.927 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 91 11.190 7.379 -0.555 1.00 0.00 H new ATOM 1271 N SER A 92 15.384 11.328 -0.953 1.00 0.00 N ATOM 1272 CA SER A 92 16.141 12.363 -0.253 1.00 0.00 C ATOM 1273 C SER A 92 17.418 12.735 -1.000 1.00 0.00 C ATOM 1274 O SER A 92 18.384 13.197 -0.394 1.00 0.00 O ATOM 1275 CB SER A 92 16.488 11.892 1.161 1.00 0.00 C ATOM 1276 OG SER A 92 16.285 12.927 2.107 1.00 0.00 O ATOM 0 H SER A 92 15.757 10.385 -0.846 1.00 0.00 H new ATOM 0 HA SER A 92 15.513 13.252 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.873 11.031 1.422 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.527 11.564 1.194 1.00 0.00 H new ATOM 0 HG SER A 92 16.512 12.601 3.003 1.00 0.00 H new ATOM 1282 N THR A 93 17.426 12.532 -2.313 1.00 0.00 N ATOM 1283 CA THR A 93 18.602 12.852 -3.114 1.00 0.00 C ATOM 1284 C THR A 93 18.235 13.196 -4.555 1.00 0.00 C ATOM 1285 O THR A 93 18.857 14.059 -5.171 1.00 0.00 O ATOM 1286 CB THR A 93 19.587 11.678 -3.070 1.00 0.00 C ATOM 1287 OG1 THR A 93 20.914 12.142 -2.907 1.00 0.00 O ATOM 1288 CG2 THR A 93 19.559 10.793 -4.301 1.00 0.00 C ATOM 0 H THR A 93 16.640 12.151 -2.841 1.00 0.00 H new ATOM 0 HA THR A 93 19.073 13.737 -2.687 1.00 0.00 H new ATOM 0 HB THR A 93 19.262 11.080 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.527 11.378 -2.880 1.00 0.00 H new ATOM 0 HG21 THR A 93 20.285 9.988 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 93 18.562 10.368 -4.421 1.00 0.00 H new ATOM 0 HG23 THR A 93 19.809 11.386 -5.181 1.00 0.00 H new ATOM 1296 N GLU A 94 17.235 12.508 -5.094 1.00 0.00 N ATOM 1297 CA GLU A 94 16.808 12.742 -6.469 1.00 0.00 C ATOM 1298 C GLU A 94 15.426 13.381 -6.521 1.00 0.00 C ATOM 1299 O GLU A 94 15.260 14.480 -7.045 1.00 0.00 O ATOM 1300 CB GLU A 94 16.810 11.430 -7.251 1.00 0.00 C ATOM 1301 CG GLU A 94 18.050 10.587 -7.005 1.00 0.00 C ATOM 1302 CD GLU A 94 18.497 9.834 -8.241 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.821 8.855 -8.619 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.527 10.223 -8.834 1.00 0.00 O ATOM 0 H GLU A 94 16.707 11.787 -4.603 1.00 0.00 H new ATOM 0 HA GLU A 94 17.515 13.434 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 94 15.926 10.852 -6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.733 11.649 -8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.861 11.231 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.848 9.876 -6.204 1.00 0.00 H new ATOM 1311 N GLY A 95 14.439 12.689 -5.974 1.00 0.00 N ATOM 1312 CA GLY A 95 13.085 13.210 -5.971 1.00 0.00 C ATOM 1313 C GLY A 95 12.994 14.575 -5.322 1.00 0.00 C ATOM 1314 O GLY A 95 12.113 15.371 -5.648 1.00 0.00 O ATOM 0 H GLY A 95 14.549 11.776 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.720 13.273 -6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.432 12.515 -5.443 1.00 0.00 H new ATOM 1318 N ASN A 96 13.912 14.845 -4.403 1.00 0.00 N ATOM 1319 CA ASN A 96 13.944 16.121 -3.701 1.00 0.00 C ATOM 1320 C ASN A 96 14.535 17.211 -4.595 1.00 0.00 C ATOM 1321 O ASN A 96 14.132 18.372 -4.521 1.00 0.00 O ATOM 1322 CB ASN A 96 14.748 15.973 -2.402 1.00 0.00 C ATOM 1323 CG ASN A 96 15.344 17.278 -1.913 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.479 17.319 -1.438 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.578 18.352 -2.026 1.00 0.00 N ATOM 0 H ASN A 96 14.647 14.194 -4.126 1.00 0.00 H new ATOM 0 HA ASN A 96 12.926 16.418 -3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.100 15.565 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.550 15.252 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.923 19.260 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.643 18.272 -2.426 1.00 0.00 H new ATOM 1332 N LYS A 97 15.490 16.826 -5.440 1.00 0.00 N ATOM 1333 CA LYS A 97 16.147 17.762 -6.355 1.00 0.00 C ATOM 1334 C LYS A 97 15.158 18.765 -6.941 1.00 0.00 C ATOM 1335 O LYS A 97 15.467 19.946 -7.084 1.00 0.00 O ATOM 1336 CB LYS A 97 16.844 17.003 -7.471 1.00 0.00 C ATOM 1337 CG LYS A 97 18.130 16.356 -7.008 1.00 0.00 C ATOM 1338 CD LYS A 97 18.727 15.489 -8.088 1.00 0.00 C ATOM 1339 CE LYS A 97 19.104 16.309 -9.307 1.00 0.00 C ATOM 1340 NZ LYS A 97 19.824 15.497 -10.327 1.00 0.00 N ATOM 0 H LYS A 97 15.829 15.866 -5.511 1.00 0.00 H new ATOM 0 HA LYS A 97 16.887 18.320 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.174 16.237 -7.860 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.059 17.686 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.845 17.127 -6.721 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.937 15.754 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.610 14.980 -7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.013 14.716 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.203 16.733 -9.751 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.732 17.146 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 20.063 16.096 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 20.697 15.113 -9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.216 14.713 -10.639 1.00 0.00 H new ATOM 1354 N ARG A 98 13.964 18.283 -7.266 1.00 0.00 N ATOM 1355 CA ARG A 98 12.919 19.137 -7.821 1.00 0.00 C ATOM 1356 C ARG A 98 11.927 19.530 -6.732 1.00 0.00 C ATOM 1357 O ARG A 98 11.290 20.580 -6.806 1.00 0.00 O ATOM 1358 CB ARG A 98 12.178 18.444 -8.977 1.00 0.00 C ATOM 1359 CG ARG A 98 12.685 17.048 -9.309 1.00 0.00 C ATOM 1360 CD ARG A 98 12.072 15.997 -8.398 1.00 0.00 C ATOM 1361 NE ARG A 98 11.494 14.888 -9.156 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.212 13.904 -9.694 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.531 13.887 -9.561 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.606 12.936 -10.369 1.00 0.00 N ATOM 0 H ARG A 98 13.695 17.305 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 98 13.398 20.033 -8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.119 18.381 -8.727 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.259 19.067 -9.868 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.449 16.812 -10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.771 17.023 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.835 15.615 -7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.300 16.457 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 98 10.482 14.867 -9.280 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.001 14.630 -9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.076 13.131 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.592 12.946 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.154 12.182 -10.782 1.00 0.00 H new ATOM 1378 N GLY A 99 11.802 18.675 -5.719 1.00 0.00 N ATOM 1379 CA GLY A 99 10.889 18.945 -4.628 1.00 0.00 C ATOM 1380 C GLY A 99 9.849 17.854 -4.451 1.00 0.00 C ATOM 1381 O GLY A 99 9.035 17.914 -3.530 1.00 0.00 O ATOM 0 H GLY A 99 12.319 17.800 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.456 19.054 -3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.386 19.895 -4.807 1.00 0.00 H new ATOM 1385 N MET A 100 9.870 16.858 -5.336 1.00 0.00 N ATOM 1386 CA MET A 100 8.914 15.760 -5.269 1.00 0.00 C ATOM 1387 C MET A 100 9.463 14.507 -5.943 1.00 0.00 C ATOM 1388 O MET A 100 10.155 14.585 -6.958 1.00 0.00 O ATOM 1389 CB MET A 100 7.606 16.169 -5.938 1.00 0.00 C ATOM 1390 CG MET A 100 7.749 16.403 -7.433 1.00 0.00 C ATOM 1391 SD MET A 100 6.600 15.424 -8.411 1.00 0.00 S ATOM 1392 CE MET A 100 7.455 13.851 -8.444 1.00 0.00 C ATOM 0 H MET A 100 10.537 16.791 -6.104 1.00 0.00 H new ATOM 0 HA MET A 100 8.735 15.533 -4.218 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.859 15.393 -5.767 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.233 17.079 -5.468 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.590 17.460 -7.646 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.769 16.166 -7.736 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.022 13.218 -9.218 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.511 14.015 -8.658 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.353 13.361 -7.476 1.00 0.00 H new ATOM 1402 N ILE A 101 9.147 13.353 -5.369 1.00 0.00 N ATOM 1403 CA ILE A 101 9.599 12.079 -5.906 1.00 0.00 C ATOM 1404 C ILE A 101 8.423 11.262 -6.444 1.00 0.00 C ATOM 1405 O ILE A 101 7.326 11.296 -5.887 1.00 0.00 O ATOM 1406 CB ILE A 101 10.373 11.260 -4.840 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.783 9.855 -4.668 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.395 11.993 -3.504 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.471 9.031 -3.606 1.00 0.00 C ATOM 0 H ILE A 101 8.576 13.275 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 101 10.278 12.297 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 101 11.398 11.151 -5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.726 9.943 -4.418 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.843 9.327 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.943 11.399 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.884 12.959 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.373 12.145 -3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.998 8.051 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.523 8.910 -3.864 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.389 9.536 -2.644 1.00 0.00 H new ATOM 1421 N GLN A 102 8.670 10.520 -7.518 1.00 0.00 N ATOM 1422 CA GLN A 102 7.643 9.680 -8.119 1.00 0.00 C ATOM 1423 C GLN A 102 7.544 8.364 -7.357 1.00 0.00 C ATOM 1424 O GLN A 102 8.551 7.842 -6.884 1.00 0.00 O ATOM 1425 CB GLN A 102 7.973 9.418 -9.591 1.00 0.00 C ATOM 1426 CG GLN A 102 6.826 8.803 -10.376 1.00 0.00 C ATOM 1427 CD GLN A 102 6.777 7.293 -10.251 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.733 6.721 -9.941 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.909 6.638 -10.493 1.00 0.00 N ATOM 0 H GLN A 102 9.574 10.484 -7.990 1.00 0.00 H new ATOM 0 HA GLN A 102 6.683 10.194 -8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.261 10.358 -10.062 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.837 8.755 -9.648 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.884 9.224 -10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.924 9.074 -11.427 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.752 7.153 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.934 5.621 -10.424 1.00 0.00 H new ATOM 1438 N LEU A 103 6.334 7.834 -7.219 1.00 0.00 N ATOM 1439 CA LEU A 103 6.141 6.585 -6.491 1.00 0.00 C ATOM 1440 C LEU A 103 5.237 5.621 -7.243 1.00 0.00 C ATOM 1441 O LEU A 103 4.325 6.028 -7.959 1.00 0.00 O ATOM 1442 CB LEU A 103 5.533 6.849 -5.108 1.00 0.00 C ATOM 1443 CG LEU A 103 6.461 7.498 -4.079 1.00 0.00 C ATOM 1444 CD1 LEU A 103 7.858 6.892 -4.143 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.510 9.000 -4.293 1.00 0.00 C ATOM 0 H LEU A 103 5.480 8.244 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 103 7.127 6.132 -6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.659 7.488 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.179 5.901 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 103 6.063 7.303 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.497 7.371 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.801 5.823 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 103 8.277 7.047 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.173 9.451 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.883 9.213 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.509 9.416 -4.183 1.00 0.00 H new ATOM 1457 N ILE A 104 5.489 4.338 -7.036 1.00 0.00 N ATOM 1458 CA ILE A 104 4.698 3.284 -7.646 1.00 0.00 C ATOM 1459 C ILE A 104 4.467 2.174 -6.630 1.00 0.00 C ATOM 1460 O ILE A 104 5.405 1.491 -6.220 1.00 0.00 O ATOM 1461 CB ILE A 104 5.381 2.707 -8.900 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.646 3.824 -9.908 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.521 1.616 -9.524 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.485 3.387 -11.090 1.00 0.00 C ATOM 0 H ILE A 104 6.246 4.000 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 104 3.746 3.714 -7.957 1.00 0.00 H new ATOM 0 HB ILE A 104 6.333 2.263 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.693 4.208 -10.272 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.149 4.648 -9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.020 1.221 -10.409 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.372 0.813 -8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.555 2.032 -9.808 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.632 4.231 -11.764 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.453 3.031 -10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.975 2.584 -11.621 1.00 0.00 H new ATOM 1476 N VAL A 105 3.221 2.015 -6.214 1.00 0.00 N ATOM 1477 CA VAL A 105 2.873 1.004 -5.226 1.00 0.00 C ATOM 1478 C VAL A 105 1.798 0.060 -5.749 1.00 0.00 C ATOM 1479 O VAL A 105 1.234 0.272 -6.818 1.00 0.00 O ATOM 1480 CB VAL A 105 2.384 1.653 -3.916 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.490 2.490 -3.288 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.145 2.500 -4.164 1.00 0.00 C ATOM 0 H VAL A 105 2.433 2.572 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 105 3.779 0.431 -5.027 1.00 0.00 H new ATOM 0 HB VAL A 105 2.118 0.858 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.126 2.940 -2.364 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.347 1.854 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.790 3.276 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.817 2.948 -3.226 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.380 3.287 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.349 1.872 -4.564 1.00 0.00 H new ATOM 1492 N ALA A 106 1.517 -0.983 -4.979 1.00 0.00 N ATOM 1493 CA ALA A 106 0.509 -1.961 -5.353 1.00 0.00 C ATOM 1494 C ALA A 106 -0.171 -2.524 -4.112 1.00 0.00 C ATOM 1495 O ALA A 106 0.494 -2.902 -3.148 1.00 0.00 O ATOM 1496 CB ALA A 106 1.131 -3.078 -6.176 1.00 0.00 C ATOM 0 H ALA A 106 1.976 -1.172 -4.088 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.246 -1.465 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.362 -3.801 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.572 -2.661 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.905 -3.574 -5.590 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.498 -2.573 -4.136 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.252 -3.090 -2.999 1.00 0.00 C ATOM 1504 C ARG A 107 -3.406 -3.967 -3.463 1.00 0.00 C ATOM 1505 O ARG A 107 -3.604 -4.170 -4.660 1.00 0.00 O ATOM 1506 CB ARG A 107 -2.777 -1.947 -2.122 1.00 0.00 C ATOM 1507 CG ARG A 107 -2.968 -0.632 -2.860 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.200 -0.667 -3.750 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.436 -0.624 -2.974 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.617 -0.268 -3.477 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -6.727 0.073 -4.755 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.692 -0.255 -2.700 1.00 0.00 N ATOM 0 H ARG A 107 -2.070 -2.264 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.573 -3.699 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.730 -2.247 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.083 -1.790 -1.296 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.061 0.181 -2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.086 -0.422 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.174 0.178 -4.438 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.184 -1.573 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.393 -0.882 -1.988 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.904 0.063 -5.358 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.634 0.345 -5.134 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.614 -0.518 -1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.596 0.018 -3.085 1.00 0.00 H new ATOM 1526 N ARG A 108 -4.159 -4.490 -2.504 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.293 -5.356 -2.806 1.00 0.00 C ATOM 1528 C ARG A 108 -6.602 -4.724 -2.344 1.00 0.00 C ATOM 1529 O ARG A 108 -6.708 -4.249 -1.213 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.107 -6.717 -2.133 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.885 -7.838 -2.803 1.00 0.00 C ATOM 1532 CD ARG A 108 -4.970 -8.753 -3.602 1.00 0.00 C ATOM 1533 NE ARG A 108 -3.954 -9.382 -2.760 1.00 0.00 N ATOM 1534 CZ ARG A 108 -4.184 -10.436 -1.982 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -5.394 -10.982 -1.933 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -3.204 -10.947 -1.251 1.00 0.00 N ATOM 0 H ARG A 108 -4.005 -4.330 -1.508 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.340 -5.491 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.047 -6.971 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.417 -6.643 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.412 -8.419 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.642 -7.413 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.565 -9.525 -4.090 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.483 -8.180 -4.391 1.00 0.00 H new ATOM 0 HE ARG A 108 -3.013 -8.989 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.152 -10.593 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.565 -11.790 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.273 -10.532 -1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -3.381 -11.755 -0.654 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.597 -4.729 -3.224 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.900 -4.161 -2.906 1.00 0.00 C ATOM 1552 C ILE A 109 -9.524 -4.865 -1.703 1.00 0.00 C ATOM 1553 O ILE A 109 -10.344 -4.286 -0.989 1.00 0.00 O ATOM 1554 CB ILE A 109 -9.864 -4.259 -4.106 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -9.248 -3.586 -5.335 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -11.210 -3.632 -3.766 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -10.149 -3.603 -6.552 1.00 0.00 C ATOM 0 H ILE A 109 -7.525 -5.120 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.740 -3.110 -2.666 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.030 -5.312 -4.334 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.004 -2.553 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.311 -4.085 -5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.876 -3.711 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.650 -4.154 -2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -11.068 -2.581 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -9.647 -3.109 -7.384 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.373 -4.634 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.077 -3.078 -6.325 1.00 0.00 H new ATOM 1569 N SER A 110 -9.130 -6.115 -1.484 1.00 0.00 N ATOM 1570 CA SER A 110 -9.650 -6.899 -0.369 1.00 0.00 C ATOM 1571 C SER A 110 -11.151 -7.128 -0.520 1.00 0.00 C ATOM 1572 O SER A 110 -11.956 -6.557 0.217 1.00 0.00 O ATOM 1573 CB SER A 110 -9.358 -6.194 0.958 1.00 0.00 C ATOM 1574 OG SER A 110 -9.103 -7.133 1.989 1.00 0.00 O ATOM 0 H SER A 110 -8.451 -6.608 -2.065 1.00 0.00 H new ATOM 0 HA SER A 110 -9.151 -7.868 -0.373 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.498 -5.535 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.206 -5.567 1.234 1.00 0.00 H new ATOM 0 HG SER A 110 -8.918 -6.658 2.826 1.00 0.00 H new TER 1580 SER A 110 ATOM 1581 N ASP B 3 2.210 -11.169 6.738 1.00 0.00 N ATOM 1582 CA ASP B 3 3.070 -11.824 5.761 1.00 0.00 C ATOM 1583 C ASP B 3 4.524 -11.823 6.225 1.00 0.00 C ATOM 1584 O ASP B 3 5.447 -11.788 5.411 1.00 0.00 O ATOM 1585 CB ASP B 3 2.947 -11.131 4.402 1.00 0.00 C ATOM 1586 CG ASP B 3 2.175 -11.963 3.396 1.00 0.00 C ATOM 1587 OD1 ASP B 3 2.756 -12.927 2.852 1.00 0.00 O ATOM 1588 OD2 ASP B 3 0.991 -11.653 3.154 1.00 0.00 O ATOM 0 HA ASP B 3 2.746 -12.860 5.662 1.00 0.00 H new ATOM 0 HB2 ASP B 3 2.450 -10.169 4.531 1.00 0.00 H new ATOM 0 HB3 ASP B 3 3.943 -10.925 4.011 1.00 0.00 H new ATOM 1593 N GLU B 4 4.718 -11.862 7.539 1.00 0.00 N ATOM 1594 CA GLU B 4 6.059 -11.868 8.116 1.00 0.00 C ATOM 1595 C GLU B 4 6.494 -13.289 8.458 1.00 0.00 C ATOM 1596 O GLU B 4 5.691 -14.222 8.410 1.00 0.00 O ATOM 1597 CB GLU B 4 6.100 -10.995 9.371 1.00 0.00 C ATOM 1598 CG GLU B 4 5.834 -9.523 9.098 1.00 0.00 C ATOM 1599 CD GLU B 4 4.925 -8.892 10.135 1.00 0.00 C ATOM 1600 OE1 GLU B 4 3.924 -9.535 10.517 1.00 0.00 O ATOM 1601 OE2 GLU B 4 5.214 -7.757 10.565 1.00 0.00 O ATOM 0 H GLU B 4 3.964 -11.890 8.225 1.00 0.00 H new ATOM 0 HA GLU B 4 6.749 -11.462 7.377 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.362 -11.363 10.084 1.00 0.00 H new ATOM 0 HB3 GLU B 4 7.077 -11.098 9.843 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.781 -8.985 9.075 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.383 -9.416 8.112 1.00 0.00 H new ATOM 1608 N ASP B 5 7.768 -13.450 8.800 1.00 0.00 N ATOM 1609 CA ASP B 5 8.303 -14.761 9.148 1.00 0.00 C ATOM 1610 C ASP B 5 8.953 -14.741 10.528 1.00 0.00 C ATOM 1611 O ASP B 5 8.666 -15.590 11.374 1.00 0.00 O ATOM 1612 CB ASP B 5 9.316 -15.223 8.096 1.00 0.00 C ATOM 1613 CG ASP B 5 10.431 -14.219 7.879 1.00 0.00 C ATOM 1614 OD1 ASP B 5 10.156 -13.002 7.939 1.00 0.00 O ATOM 1615 OD2 ASP B 5 11.582 -14.651 7.650 1.00 0.00 O ATOM 0 H ASP B 5 8.448 -12.691 8.844 1.00 0.00 H new ATOM 0 HA ASP B 5 7.472 -15.466 9.172 1.00 0.00 H new ATOM 0 HB2 ASP B 5 9.745 -16.176 8.405 1.00 0.00 H new ATOM 0 HB3 ASP B 5 8.800 -15.397 7.152 1.00 0.00 H new ATOM 1620 N GLN B 6 9.827 -13.768 10.747 1.00 0.00 N ATOM 1621 CA GLN B 6 10.519 -13.635 12.024 1.00 0.00 C ATOM 1622 C GLN B 6 10.974 -12.195 12.246 1.00 0.00 C ATOM 1623 O GLN B 6 12.056 -11.802 11.812 1.00 0.00 O ATOM 1624 CB GLN B 6 11.722 -14.578 12.079 1.00 0.00 C ATOM 1625 CG GLN B 6 11.460 -15.850 12.868 1.00 0.00 C ATOM 1626 CD GLN B 6 11.736 -17.106 12.064 1.00 0.00 C ATOM 1627 OE1 GLN B 6 12.331 -18.060 12.565 1.00 0.00 O ATOM 1628 NE2 GLN B 6 11.304 -17.111 10.808 1.00 0.00 N ATOM 0 H GLN B 6 10.074 -13.058 10.057 1.00 0.00 H new ATOM 0 HA GLN B 6 9.822 -13.904 12.817 1.00 0.00 H new ATOM 0 HB2 GLN B 6 12.012 -14.844 11.062 1.00 0.00 H new ATOM 0 HB3 GLN B 6 12.566 -14.051 12.524 1.00 0.00 H new ATOM 0 HG2 GLN B 6 12.083 -15.852 13.763 1.00 0.00 H new ATOM 0 HG3 GLN B 6 10.422 -15.858 13.202 1.00 0.00 H new ATOM 0 HE21 GLN B 6 10.815 -16.298 10.434 1.00 0.00 H new ATOM 0 HE22 GLN B 6 11.461 -17.928 10.218 1.00 0.00 H new ATOM 1637 N HIS B 7 10.138 -11.414 12.922 1.00 0.00 N ATOM 1638 CA HIS B 7 10.455 -10.018 13.199 1.00 0.00 C ATOM 1639 C HIS B 7 10.626 -9.234 11.902 1.00 0.00 C ATOM 1640 O HIS B 7 10.411 -9.764 10.811 1.00 0.00 O ATOM 1641 CB HIS B 7 11.730 -9.920 14.040 1.00 0.00 C ATOM 1642 CG HIS B 7 11.471 -9.874 15.514 1.00 0.00 C ATOM 1643 ND1 HIS B 7 10.750 -8.866 16.121 1.00 0.00 N ATOM 1644 CD2 HIS B 7 11.839 -10.720 16.505 1.00 0.00 C ATOM 1645 CE1 HIS B 7 10.688 -9.094 17.420 1.00 0.00 C ATOM 1646 NE2 HIS B 7 11.340 -10.212 17.679 1.00 0.00 N ATOM 0 H HIS B 7 9.237 -11.723 13.288 1.00 0.00 H new ATOM 0 HA HIS B 7 9.625 -9.586 13.759 1.00 0.00 H new ATOM 0 HB2 HIS B 7 12.369 -10.775 13.818 1.00 0.00 H new ATOM 0 HB3 HIS B 7 12.281 -9.026 13.748 1.00 0.00 H new ATOM 0 HD2 HIS B 7 12.417 -11.625 16.393 1.00 0.00 H new ATOM 0 HE1 HIS B 7 10.188 -8.471 18.147 1.00 0.00 H new ATOM 0 HE2 HIS B 7 11.455 -10.631 18.602 1.00 0.00 H new ATOM 1655 N SER B 8 11.011 -7.968 12.026 1.00 0.00 N ATOM 1656 CA SER B 8 11.208 -7.113 10.862 1.00 0.00 C ATOM 1657 C SER B 8 11.955 -5.835 11.251 1.00 0.00 C ATOM 1658 O SER B 8 12.671 -5.807 12.252 1.00 0.00 O ATOM 1659 CB SER B 8 9.859 -6.776 10.222 1.00 0.00 C ATOM 1660 OG SER B 8 10.028 -6.015 9.039 1.00 0.00 O ATOM 0 H SER B 8 11.193 -7.512 12.920 1.00 0.00 H new ATOM 0 HA SER B 8 11.815 -7.651 10.133 1.00 0.00 H new ATOM 0 HB2 SER B 8 9.323 -7.697 9.992 1.00 0.00 H new ATOM 0 HB3 SER B 8 9.246 -6.219 10.931 1.00 0.00 H new ATOM 0 HG SER B 8 9.766 -6.554 8.263 1.00 0.00 H new ATOM 1666 N GLN B 9 11.786 -4.779 10.457 1.00 0.00 N ATOM 1667 CA GLN B 9 12.443 -3.509 10.721 1.00 0.00 C ATOM 1668 C GLN B 9 11.732 -2.401 9.961 1.00 0.00 C ATOM 1669 O GLN B 9 11.482 -2.523 8.762 1.00 0.00 O ATOM 1670 CB GLN B 9 13.920 -3.585 10.316 1.00 0.00 C ATOM 1671 CG GLN B 9 14.677 -2.270 10.459 1.00 0.00 C ATOM 1672 CD GLN B 9 14.270 -1.233 9.426 1.00 0.00 C ATOM 1673 OE1 GLN B 9 14.207 -0.040 9.722 1.00 0.00 O ATOM 1674 NE2 GLN B 9 13.992 -1.681 8.205 1.00 0.00 N ATOM 0 H GLN B 9 11.197 -4.782 9.624 1.00 0.00 H new ATOM 0 HA GLN B 9 12.394 -3.290 11.788 1.00 0.00 H new ATOM 0 HB2 GLN B 9 14.413 -4.343 10.925 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.984 -3.917 9.280 1.00 0.00 H new ATOM 0 HG2 GLN B 9 14.507 -1.866 11.457 1.00 0.00 H new ATOM 0 HG3 GLN B 9 15.746 -2.462 10.371 1.00 0.00 H new ATOM 0 HE21 GLN B 9 14.056 -2.678 8.001 1.00 0.00 H new ATOM 0 HE22 GLN B 9 13.714 -1.027 7.473 1.00 0.00 H new ATOM 1683 N ILE B 10 11.397 -1.325 10.659 1.00 0.00 N ATOM 1684 CA ILE B 10 10.703 -0.211 10.035 1.00 0.00 C ATOM 1685 C ILE B 10 11.648 0.944 9.748 1.00 0.00 C ATOM 1686 O ILE B 10 12.267 1.502 10.655 1.00 0.00 O ATOM 1687 CB ILE B 10 9.530 0.298 10.894 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.963 -0.828 11.761 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.449 0.883 10.000 1.00 0.00 C ATOM 1690 CD1 ILE B 10 8.150 -1.847 10.990 1.00 0.00 C ATOM 0 H ILE B 10 11.594 -1.201 11.652 1.00 0.00 H new ATOM 0 HA ILE B 10 10.305 -0.593 9.095 1.00 0.00 H new ATOM 0 HB ILE B 10 9.898 1.080 11.559 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.786 -1.338 12.261 1.00 0.00 H new ATOM 0 HG13 ILE B 10 8.337 -0.393 12.540 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.623 1.241 10.614 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.861 1.713 9.427 1.00 0.00 H new ATOM 0 HG23 ILE B 10 8.087 0.115 9.317 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.783 -2.612 11.674 1.00 0.00 H new ATOM 0 HD12 ILE B 10 7.305 -1.352 10.512 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.776 -2.311 10.228 1.00 0.00 H new ATOM 1702 N THR B 11 11.746 1.293 8.476 1.00 0.00 N ATOM 1703 CA THR B 11 12.606 2.384 8.037 1.00 0.00 C ATOM 1704 C THR B 11 11.795 3.664 7.853 1.00 0.00 C ATOM 1705 O THR B 11 11.086 3.823 6.860 1.00 0.00 O ATOM 1706 CB THR B 11 13.305 2.005 6.726 1.00 0.00 C ATOM 1707 OG1 THR B 11 14.214 0.940 6.933 1.00 0.00 O ATOM 1708 CG2 THR B 11 14.076 3.148 6.097 1.00 0.00 C ATOM 0 H THR B 11 11.236 0.833 7.722 1.00 0.00 H new ATOM 0 HA THR B 11 13.361 2.563 8.802 1.00 0.00 H new ATOM 0 HB THR B 11 12.501 1.717 6.048 1.00 0.00 H new ATOM 0 HG1 THR B 11 14.354 0.461 6.090 1.00 0.00 H new ATOM 0 HG21 THR B 11 14.544 2.807 5.174 1.00 0.00 H new ATOM 0 HG22 THR B 11 13.394 3.969 5.876 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.846 3.492 6.788 1.00 0.00 H new ATOM 1716 N LYS B 12 11.906 4.573 8.815 1.00 0.00 N ATOM 1717 CA LYS B 12 11.182 5.835 8.756 1.00 0.00 C ATOM 1718 C LYS B 12 11.729 6.717 7.638 1.00 0.00 C ATOM 1719 O LYS B 12 12.786 7.331 7.778 1.00 0.00 O ATOM 1720 CB LYS B 12 11.277 6.569 10.096 1.00 0.00 C ATOM 1721 CG LYS B 12 9.972 7.220 10.526 1.00 0.00 C ATOM 1722 CD LYS B 12 10.163 8.688 10.870 1.00 0.00 C ATOM 1723 CE LYS B 12 10.594 9.494 9.656 1.00 0.00 C ATOM 1724 NZ LYS B 12 11.491 10.622 10.028 1.00 0.00 N ATOM 0 H LYS B 12 12.490 4.459 9.644 1.00 0.00 H new ATOM 0 HA LYS B 12 10.135 5.617 8.547 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.593 5.864 10.865 1.00 0.00 H new ATOM 0 HB3 LYS B 12 12.050 7.334 10.028 1.00 0.00 H new ATOM 0 HG2 LYS B 12 9.238 7.126 9.726 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.570 6.693 11.391 1.00 0.00 H new ATOM 0 HD2 LYS B 12 9.232 9.094 11.266 1.00 0.00 H new ATOM 0 HD3 LYS B 12 10.912 8.784 11.656 1.00 0.00 H new ATOM 0 HE2 LYS B 12 11.106 8.841 8.950 1.00 0.00 H new ATOM 0 HE3 LYS B 12 9.712 9.884 9.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 11.762 11.147 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 10.994 11.260 10.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 12.345 10.249 10.490 1.00 0.00 H new ATOM 1738 N VAL B 13 11.002 6.770 6.527 1.00 0.00 N ATOM 1739 CA VAL B 13 11.413 7.573 5.383 1.00 0.00 C ATOM 1740 C VAL B 13 10.464 8.747 5.162 1.00 0.00 C ATOM 1741 O VAL B 13 9.833 9.189 6.146 1.00 0.00 O ATOM 1742 CB VAL B 13 11.474 6.723 4.099 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.498 5.608 4.243 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.102 6.155 3.763 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.360 9.214 4.008 1.00 0.00 O ATOM 0 H VAL B 13 10.125 6.266 6.395 1.00 0.00 H new ATOM 0 HA VAL B 13 12.409 7.957 5.605 1.00 0.00 H new ATOM 0 HB VAL B 13 11.785 7.368 3.277 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.526 5.019 3.326 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.482 6.039 4.428 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.221 4.965 5.079 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.168 5.558 2.853 1.00 0.00 H new ATOM 0 HG22 VAL B 13 9.757 5.527 4.584 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.397 6.972 3.610 1.00 0.00 H new TER 1755 VAL B 13