USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 61:sc= 1.16 USER MOD Set 1.2: A 42 ASN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0501 X(o=-0.05,f=-0.16) USER MOD Single : A 35 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.024) USER MOD Single : A 37 THR OG1 : rot -180:sc= 0.0934 USER MOD Single : A 44 GLN : amide:sc= 0.279 X(o=0.28,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ -148:sc= 0.91 (180deg=0.349) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.38) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 172:sc= -5.81! (180deg=-6.08!) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= 1.11 (180deg=-0.158) USER MOD Single : A 62 HIS : no HE2:sc= -3.41 K(o=-3.4,f=-4.8) USER MOD Single : A 63 CYS SG : rot 70:sc= -1.3! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 82:sc= 0.223 USER MOD Single : A 76 MET CE :methyl -156:sc= -1.26 (180deg=-1.8!) USER MOD Single : A 77 HIS : no HD1:sc= -0.646 K(o=-0.65,f=-2.6!) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.0965 USER MOD Single : A 82 THR OG1 : rot 54:sc=0.000199 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -165:sc= -1.54 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot -121:sc= 0.236 USER MOD Single : A 95 LYS NZ :NH3+ -133:sc= -0.295 (180deg=-2.06!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 169:sc= -2.31! (180deg=-2.64!) USER MOD Single : A 102 TYR OH : rot -58:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -5.349 13.153 -6.080 1.00 0.00 N ATOM 21 CA LEU A 2 -4.780 11.787 -6.058 1.00 0.00 C ATOM 22 C LEU A 2 -5.711 10.714 -6.655 1.00 0.00 C ATOM 23 O LEU A 2 -5.282 9.574 -6.788 1.00 0.00 O ATOM 24 CB LEU A 2 -4.389 11.354 -4.618 1.00 0.00 C ATOM 25 CG LEU A 2 -5.518 10.756 -3.710 1.00 0.00 C ATOM 26 CD1 LEU A 2 -4.902 10.011 -2.520 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.522 11.833 -3.238 1.00 0.00 C ATOM 0 HA LEU A 2 -3.893 11.850 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.592 10.615 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.971 12.222 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.085 10.046 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.697 9.600 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.272 9.200 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.299 10.702 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -7.285 11.370 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.995 12.595 -2.664 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.995 12.294 -4.105 1.00 0.00 H new ATOM 39 N GLU A 3 -6.982 11.044 -6.959 1.00 0.00 N ATOM 40 CA GLU A 3 -7.992 10.013 -7.349 1.00 0.00 C ATOM 41 C GLU A 3 -7.613 9.288 -8.669 1.00 0.00 C ATOM 42 O GLU A 3 -8.053 8.160 -8.910 1.00 0.00 O ATOM 43 CB GLU A 3 -9.445 10.577 -7.420 1.00 0.00 C ATOM 44 CG GLU A 3 -9.690 11.701 -8.446 1.00 0.00 C ATOM 45 CD GLU A 3 -9.117 13.062 -8.018 1.00 0.00 C ATOM 46 OE1 GLU A 3 -9.729 13.730 -7.154 1.00 0.00 O ATOM 47 OE2 GLU A 3 -8.044 13.446 -8.512 1.00 0.00 O ATOM 0 H GLU A 3 -7.340 11.999 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.977 9.275 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.122 9.753 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -9.716 10.950 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.247 11.414 -9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.763 11.804 -8.611 1.00 0.00 H new ATOM 54 N ASP A 4 -6.765 9.932 -9.490 1.00 0.00 N ATOM 55 CA ASP A 4 -6.210 9.335 -10.729 1.00 0.00 C ATOM 56 C ASP A 4 -5.169 8.222 -10.423 1.00 0.00 C ATOM 57 O ASP A 4 -4.893 7.363 -11.266 1.00 0.00 O ATOM 58 CB ASP A 4 -5.574 10.444 -11.602 1.00 0.00 C ATOM 59 CG ASP A 4 -6.598 11.484 -12.089 1.00 0.00 C ATOM 60 OD1 ASP A 4 -7.233 11.259 -13.147 1.00 0.00 O ATOM 61 OD2 ASP A 4 -6.778 12.527 -11.420 1.00 0.00 O ATOM 0 H ASP A 4 -6.441 10.884 -9.317 1.00 0.00 H new ATOM 0 HA ASP A 4 -7.030 8.867 -11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.796 10.948 -11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.089 9.987 -12.465 1.00 0.00 H new ATOM 66 N TYR A 5 -4.606 8.257 -9.200 1.00 0.00 N ATOM 67 CA TYR A 5 -3.620 7.269 -8.700 1.00 0.00 C ATOM 68 C TYR A 5 -4.328 6.019 -8.105 1.00 0.00 C ATOM 69 O TYR A 5 -3.672 5.173 -7.478 1.00 0.00 O ATOM 70 CB TYR A 5 -2.699 7.929 -7.620 1.00 0.00 C ATOM 71 CG TYR A 5 -1.831 9.109 -8.119 1.00 0.00 C ATOM 72 CD1 TYR A 5 -2.416 10.275 -8.626 1.00 0.00 C ATOM 73 CD2 TYR A 5 -0.432 9.060 -8.074 1.00 0.00 C ATOM 74 CE1 TYR A 5 -1.647 11.332 -9.066 1.00 0.00 C ATOM 75 CE2 TYR A 5 0.340 10.118 -8.519 1.00 0.00 C ATOM 76 CZ TYR A 5 -0.274 11.251 -9.013 1.00 0.00 C ATOM 77 OH TYR A 5 0.486 12.320 -9.437 1.00 0.00 O ATOM 0 H TYR A 5 -4.825 8.983 -8.518 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.010 6.943 -9.543 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.325 8.282 -6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.040 7.163 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.492 10.349 -8.674 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.054 8.178 -7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.122 12.222 -9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.418 10.058 -8.480 1.00 0.00 H new ATOM 0 HH TYR A 5 1.437 12.106 -9.335 1.00 0.00 H new ATOM 87 N ALA A 6 -5.670 5.929 -8.286 1.00 0.00 N ATOM 88 CA ALA A 6 -6.480 4.781 -7.821 1.00 0.00 C ATOM 89 C ALA A 6 -6.249 3.557 -8.716 1.00 0.00 C ATOM 90 O ALA A 6 -6.822 3.451 -9.810 1.00 0.00 O ATOM 91 CB ALA A 6 -7.980 5.143 -7.773 1.00 0.00 C ATOM 0 H ALA A 6 -6.217 6.650 -8.757 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.160 4.533 -6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.551 4.281 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.131 5.977 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.318 5.427 -8.770 1.00 0.00 H new ATOM 97 N ILE A 7 -5.377 2.658 -8.258 1.00 0.00 N ATOM 98 CA ILE A 7 -5.081 1.401 -8.951 1.00 0.00 C ATOM 99 C ILE A 7 -5.976 0.291 -8.372 1.00 0.00 C ATOM 100 O ILE A 7 -6.049 0.134 -7.149 1.00 0.00 O ATOM 101 CB ILE A 7 -3.561 1.014 -8.784 1.00 0.00 C ATOM 102 CG1 ILE A 7 -2.636 2.211 -9.187 1.00 0.00 C ATOM 103 CG2 ILE A 7 -3.219 -0.243 -9.616 1.00 0.00 C ATOM 104 CD1 ILE A 7 -1.146 1.952 -9.030 1.00 0.00 C ATOM 0 H ILE A 7 -4.853 2.781 -7.392 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.282 1.522 -10.015 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.384 0.785 -7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.837 2.472 -10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.905 3.078 -8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.166 -0.491 -9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.833 -1.079 -9.281 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.417 -0.047 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.589 2.838 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.924 1.723 -7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.855 1.108 -9.656 1.00 0.00 H new ATOM 116 N SER A 8 -6.684 -0.440 -9.245 1.00 0.00 N ATOM 117 CA SER A 8 -7.467 -1.622 -8.839 1.00 0.00 C ATOM 118 C SER A 8 -6.569 -2.878 -8.850 1.00 0.00 C ATOM 119 O SER A 8 -5.558 -2.923 -9.564 1.00 0.00 O ATOM 120 CB SER A 8 -8.677 -1.808 -9.776 1.00 0.00 C ATOM 121 OG SER A 8 -9.495 -0.650 -9.802 1.00 0.00 O ATOM 0 H SER A 8 -6.732 -0.234 -10.243 1.00 0.00 H new ATOM 0 HA SER A 8 -7.840 -1.471 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.327 -2.031 -10.784 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.266 -2.664 -9.446 1.00 0.00 H new ATOM 0 HG SER A 8 -10.253 -0.798 -10.406 1.00 0.00 H new ATOM 127 N LEU A 9 -6.942 -3.893 -8.050 1.00 0.00 N ATOM 128 CA LEU A 9 -6.186 -5.161 -7.925 1.00 0.00 C ATOM 129 C LEU A 9 -6.106 -5.930 -9.269 1.00 0.00 C ATOM 130 O LEU A 9 -5.087 -6.568 -9.575 1.00 0.00 O ATOM 131 CB LEU A 9 -6.821 -6.019 -6.799 1.00 0.00 C ATOM 132 CG LEU A 9 -6.325 -7.487 -6.649 1.00 0.00 C ATOM 133 CD1 LEU A 9 -4.792 -7.580 -6.510 1.00 0.00 C ATOM 134 CD2 LEU A 9 -7.038 -8.175 -5.474 1.00 0.00 C ATOM 0 H LEU A 9 -7.779 -3.861 -7.468 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.155 -4.932 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.652 -5.508 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.899 -6.043 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.581 -8.014 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.499 -8.625 -6.408 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.320 -7.155 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.472 -7.026 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.681 -9.201 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.827 -7.633 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.113 -8.180 -5.653 1.00 0.00 H new ATOM 146 N GLU A 10 -7.169 -5.827 -10.070 1.00 0.00 N ATOM 147 CA GLU A 10 -7.251 -6.473 -11.398 1.00 0.00 C ATOM 148 C GLU A 10 -6.216 -5.914 -12.405 1.00 0.00 C ATOM 149 O GLU A 10 -5.905 -6.570 -13.401 1.00 0.00 O ATOM 150 CB GLU A 10 -8.688 -6.318 -11.954 1.00 0.00 C ATOM 151 CG GLU A 10 -9.166 -4.855 -12.082 1.00 0.00 C ATOM 152 CD GLU A 10 -10.585 -4.736 -12.646 1.00 0.00 C ATOM 153 OE1 GLU A 10 -11.557 -4.804 -11.862 1.00 0.00 O ATOM 154 OE2 GLU A 10 -10.736 -4.600 -13.883 1.00 0.00 O ATOM 0 H GLU A 10 -8.003 -5.294 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.011 -7.528 -11.267 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.739 -6.791 -12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.377 -6.857 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.130 -4.380 -11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.478 -4.309 -12.727 1.00 0.00 H new ATOM 161 N GLU A 11 -5.677 -4.712 -12.128 1.00 0.00 N ATOM 162 CA GLU A 11 -4.764 -3.993 -13.047 1.00 0.00 C ATOM 163 C GLU A 11 -3.452 -3.581 -12.357 1.00 0.00 C ATOM 164 O GLU A 11 -2.617 -2.919 -12.980 1.00 0.00 O ATOM 165 CB GLU A 11 -5.487 -2.744 -13.622 1.00 0.00 C ATOM 166 CG GLU A 11 -6.072 -1.802 -12.546 1.00 0.00 C ATOM 167 CD GLU A 11 -6.813 -0.579 -13.102 1.00 0.00 C ATOM 168 OE1 GLU A 11 -7.745 -0.764 -13.922 1.00 0.00 O ATOM 169 OE2 GLU A 11 -6.475 0.564 -12.721 1.00 0.00 O ATOM 0 H GLU A 11 -5.860 -4.208 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.499 -4.673 -13.857 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.785 -2.182 -14.238 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.293 -3.074 -14.278 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.757 -2.371 -11.918 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.261 -1.458 -11.903 1.00 0.00 H new ATOM 176 N VAL A 12 -3.260 -3.968 -11.081 1.00 0.00 N ATOM 177 CA VAL A 12 -2.028 -3.625 -10.340 1.00 0.00 C ATOM 178 C VAL A 12 -0.866 -4.537 -10.769 1.00 0.00 C ATOM 179 O VAL A 12 -1.080 -5.645 -11.273 1.00 0.00 O ATOM 180 CB VAL A 12 -2.226 -3.692 -8.773 1.00 0.00 C ATOM 181 CG1 VAL A 12 -2.379 -5.136 -8.256 1.00 0.00 C ATOM 182 CG2 VAL A 12 -1.095 -2.940 -8.018 1.00 0.00 C ATOM 0 H VAL A 12 -3.935 -4.513 -10.545 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.786 -2.592 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.165 -3.181 -8.561 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.512 -5.123 -7.174 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.248 -5.599 -8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.485 -5.708 -8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.266 -3.009 -6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.133 -3.391 -8.261 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.091 -1.892 -8.318 1.00 0.00 H new ATOM 192 N ASN A 13 0.356 -4.028 -10.611 1.00 0.00 N ATOM 193 CA ASN A 13 1.596 -4.780 -10.809 1.00 0.00 C ATOM 194 C ASN A 13 2.541 -4.376 -9.671 1.00 0.00 C ATOM 195 O ASN A 13 3.255 -3.398 -9.794 1.00 0.00 O ATOM 196 CB ASN A 13 2.216 -4.465 -12.208 1.00 0.00 C ATOM 197 CG ASN A 13 1.299 -4.833 -13.387 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.363 -5.937 -13.930 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.422 -3.919 -13.779 1.00 0.00 N ATOM 0 H ASN A 13 0.515 -3.059 -10.335 1.00 0.00 H new ATOM 0 HA ASN A 13 1.414 -5.854 -10.789 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.452 -3.402 -12.260 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.157 -5.005 -12.309 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.219 -4.123 -14.546 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.388 -3.012 -13.314 1.00 0.00 H new ATOM 206 N PHE A 14 2.486 -5.102 -8.536 1.00 0.00 N ATOM 207 CA PHE A 14 3.198 -4.717 -7.288 1.00 0.00 C ATOM 208 C PHE A 14 4.725 -4.548 -7.500 1.00 0.00 C ATOM 209 O PHE A 14 5.334 -3.640 -6.929 1.00 0.00 O ATOM 210 CB PHE A 14 2.906 -5.741 -6.153 1.00 0.00 C ATOM 211 CG PHE A 14 1.452 -5.743 -5.667 1.00 0.00 C ATOM 212 CD1 PHE A 14 0.887 -4.593 -5.120 1.00 0.00 C ATOM 213 CD2 PHE A 14 0.658 -6.888 -5.748 1.00 0.00 C ATOM 214 CE1 PHE A 14 -0.424 -4.585 -4.680 1.00 0.00 C ATOM 215 CE2 PHE A 14 -0.654 -6.878 -5.307 1.00 0.00 C ATOM 216 CZ PHE A 14 -1.193 -5.728 -4.770 1.00 0.00 C ATOM 0 H PHE A 14 1.952 -5.967 -8.453 1.00 0.00 H new ATOM 0 HA PHE A 14 2.814 -3.741 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.161 -6.740 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.560 -5.526 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.481 -3.695 -5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.073 -7.795 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.847 -3.682 -4.265 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.256 -7.771 -5.384 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.215 -5.721 -4.420 1.00 0.00 H new ATOM 226 N ASN A 15 5.312 -5.399 -8.354 1.00 0.00 N ATOM 227 CA ASN A 15 6.762 -5.371 -8.671 1.00 0.00 C ATOM 228 C ASN A 15 7.158 -4.117 -9.487 1.00 0.00 C ATOM 229 O ASN A 15 8.337 -3.744 -9.521 1.00 0.00 O ATOM 230 CB ASN A 15 7.169 -6.656 -9.438 1.00 0.00 C ATOM 231 CG ASN A 15 6.948 -7.941 -8.632 1.00 0.00 C ATOM 232 OD1 ASN A 15 7.099 -7.963 -7.405 1.00 0.00 O ATOM 233 ND2 ASN A 15 6.576 -9.014 -9.316 1.00 0.00 N ATOM 0 H ASN A 15 4.801 -6.130 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 15 7.299 -5.327 -7.724 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.597 -6.714 -10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.221 -6.587 -9.716 1.00 0.00 H new ATOM 0 HD21 ASN A 15 6.405 -9.894 -8.830 1.00 0.00 H new ATOM 0 HD22 ASN A 15 6.461 -8.959 -10.328 1.00 0.00 H new ATOM 240 N ASP A 16 6.163 -3.493 -10.142 1.00 0.00 N ATOM 241 CA ASP A 16 6.342 -2.256 -10.939 1.00 0.00 C ATOM 242 C ASP A 16 6.642 -1.047 -10.025 1.00 0.00 C ATOM 243 O ASP A 16 7.293 -0.089 -10.447 1.00 0.00 O ATOM 244 CB ASP A 16 5.064 -1.985 -11.792 1.00 0.00 C ATOM 245 CG ASP A 16 5.214 -0.843 -12.808 1.00 0.00 C ATOM 246 OD1 ASP A 16 5.927 -1.031 -13.815 1.00 0.00 O ATOM 247 OD2 ASP A 16 4.615 0.235 -12.618 1.00 0.00 O ATOM 0 H ASP A 16 5.201 -3.833 -10.136 1.00 0.00 H new ATOM 0 HA ASP A 16 7.194 -2.395 -11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.797 -2.897 -12.325 1.00 0.00 H new ATOM 0 HB3 ASP A 16 4.236 -1.753 -11.122 1.00 0.00 H new ATOM 252 N PHE A 17 6.171 -1.113 -8.760 1.00 0.00 N ATOM 253 CA PHE A 17 6.327 -0.023 -7.762 1.00 0.00 C ATOM 254 C PHE A 17 7.118 -0.546 -6.533 1.00 0.00 C ATOM 255 O PHE A 17 7.403 -1.744 -6.442 1.00 0.00 O ATOM 256 CB PHE A 17 4.922 0.499 -7.296 1.00 0.00 C ATOM 257 CG PHE A 17 3.827 0.508 -8.377 1.00 0.00 C ATOM 258 CD1 PHE A 17 3.642 1.603 -9.212 1.00 0.00 C ATOM 259 CD2 PHE A 17 2.992 -0.599 -8.559 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.673 1.593 -10.200 1.00 0.00 C ATOM 261 CE2 PHE A 17 2.021 -0.605 -9.544 1.00 0.00 C ATOM 262 CZ PHE A 17 1.865 0.487 -10.365 1.00 0.00 C ATOM 0 H PHE A 17 5.670 -1.924 -8.398 1.00 0.00 H new ATOM 0 HA PHE A 17 6.873 0.798 -8.226 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.582 -0.118 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.039 1.513 -6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.265 2.477 -9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.107 -1.462 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.549 2.452 -10.843 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.384 -1.469 -9.668 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.111 0.479 -11.138 1.00 0.00 H new ATOM 272 N ILE A 18 7.494 0.365 -5.610 1.00 0.00 N ATOM 273 CA ILE A 18 7.940 0.004 -4.245 1.00 0.00 C ATOM 274 C ILE A 18 6.683 -0.022 -3.364 1.00 0.00 C ATOM 275 O ILE A 18 6.049 1.022 -3.182 1.00 0.00 O ATOM 276 CB ILE A 18 8.963 1.045 -3.637 1.00 0.00 C ATOM 277 CG1 ILE A 18 10.181 1.287 -4.585 1.00 0.00 C ATOM 278 CG2 ILE A 18 9.445 0.585 -2.234 1.00 0.00 C ATOM 279 CD1 ILE A 18 11.159 2.351 -4.095 1.00 0.00 C ATOM 0 H ILE A 18 7.497 1.369 -5.788 1.00 0.00 H new ATOM 0 HA ILE A 18 8.453 -0.957 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 18 8.437 1.994 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.719 0.348 -4.713 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.809 1.577 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.148 1.315 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 18 8.589 0.501 -1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.937 -0.384 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 18 11.973 2.455 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 18 10.640 3.304 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 18 11.564 2.055 -3.127 1.00 0.00 H new ATOM 291 N VAL A 19 6.306 -1.190 -2.824 1.00 0.00 N ATOM 292 CA VAL A 19 5.005 -1.333 -2.154 1.00 0.00 C ATOM 293 C VAL A 19 5.145 -1.037 -0.649 1.00 0.00 C ATOM 294 O VAL A 19 6.201 -1.270 -0.047 1.00 0.00 O ATOM 295 CB VAL A 19 4.393 -2.767 -2.395 1.00 0.00 C ATOM 296 CG1 VAL A 19 2.938 -2.866 -1.896 1.00 0.00 C ATOM 297 CG2 VAL A 19 4.479 -3.166 -3.881 1.00 0.00 C ATOM 0 H VAL A 19 6.873 -2.038 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 19 4.316 -0.607 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 19 4.991 -3.467 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.557 -3.870 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.905 -2.658 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.321 -2.140 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.050 -4.159 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.926 -2.446 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.523 -3.176 -4.195 1.00 0.00 H new ATOM 307 N VAL A 20 4.087 -0.459 -0.072 1.00 0.00 N ATOM 308 CA VAL A 20 3.941 -0.255 1.374 1.00 0.00 C ATOM 309 C VAL A 20 2.579 -0.808 1.798 1.00 0.00 C ATOM 310 O VAL A 20 1.562 -0.539 1.150 1.00 0.00 O ATOM 311 CB VAL A 20 4.043 1.265 1.775 1.00 0.00 C ATOM 312 CG1 VAL A 20 3.774 1.488 3.283 1.00 0.00 C ATOM 313 CG2 VAL A 20 5.409 1.865 1.373 1.00 0.00 C ATOM 0 H VAL A 20 3.291 -0.112 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 20 4.754 -0.775 1.882 1.00 0.00 H new ATOM 0 HB VAL A 20 3.264 1.787 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.855 2.550 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.771 1.139 3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.506 0.932 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.445 2.915 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.208 1.321 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.539 1.783 0.294 1.00 0.00 H new ATOM 323 N ASP A 21 2.576 -1.608 2.867 1.00 0.00 N ATOM 324 CA ASP A 21 1.346 -2.099 3.489 1.00 0.00 C ATOM 325 C ASP A 21 0.909 -1.062 4.531 1.00 0.00 C ATOM 326 O ASP A 21 1.577 -0.937 5.548 1.00 0.00 O ATOM 327 CB ASP A 21 1.597 -3.492 4.158 1.00 0.00 C ATOM 328 CG ASP A 21 0.347 -4.381 4.185 1.00 0.00 C ATOM 329 OD1 ASP A 21 -0.776 -3.850 4.272 1.00 0.00 O ATOM 330 OD2 ASP A 21 0.480 -5.617 3.989 1.00 0.00 O ATOM 0 H ASP A 21 3.427 -1.933 3.325 1.00 0.00 H new ATOM 0 HA ASP A 21 0.562 -2.232 2.743 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.392 -4.009 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.950 -3.340 5.178 1.00 0.00 H new ATOM 335 N VAL A 22 -0.166 -0.286 4.242 1.00 0.00 N ATOM 336 CA VAL A 22 -0.634 0.806 5.139 1.00 0.00 C ATOM 337 C VAL A 22 -1.822 0.354 6.011 1.00 0.00 C ATOM 338 O VAL A 22 -2.983 0.676 5.719 1.00 0.00 O ATOM 339 CB VAL A 22 -1.007 2.118 4.325 1.00 0.00 C ATOM 340 CG1 VAL A 22 0.264 2.863 3.857 1.00 0.00 C ATOM 341 CG2 VAL A 22 -1.925 1.798 3.110 1.00 0.00 C ATOM 0 H VAL A 22 -0.726 -0.395 3.396 1.00 0.00 H new ATOM 0 HA VAL A 22 0.198 1.048 5.800 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.560 2.769 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.022 3.757 3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.859 3.149 4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.853 2.209 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.159 2.720 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.412 1.111 2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.848 1.339 3.463 1.00 0.00 H new ATOM 351 N ARG A 23 -1.529 -0.372 7.117 1.00 0.00 N ATOM 352 CA ARG A 23 -2.571 -0.878 8.046 1.00 0.00 C ATOM 353 C ARG A 23 -2.023 -1.057 9.491 1.00 0.00 C ATOM 354 O ARG A 23 -2.271 -0.185 10.326 1.00 0.00 O ATOM 355 CB ARG A 23 -3.206 -2.202 7.538 1.00 0.00 C ATOM 356 CG ARG A 23 -4.085 -2.108 6.274 1.00 0.00 C ATOM 357 CD ARG A 23 -4.561 -3.475 5.791 1.00 0.00 C ATOM 358 NE ARG A 23 -3.464 -4.312 5.291 1.00 0.00 N ATOM 359 CZ ARG A 23 -3.515 -5.638 5.096 1.00 0.00 C ATOM 360 NH1 ARG A 23 -4.576 -6.332 5.472 1.00 0.00 N ATOM 361 NH2 ARG A 23 -2.473 -6.269 4.588 1.00 0.00 N ATOM 0 H ARG A 23 -0.578 -0.621 7.389 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.353 -0.119 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.402 -2.912 7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.811 -2.620 8.343 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.950 -1.478 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.521 -1.621 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.062 -3.991 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.299 -3.340 5.000 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.585 -3.844 5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.364 -5.859 5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.606 -7.340 5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.630 -5.748 4.344 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.510 -7.277 4.439 1.00 0.00 H new ATOM 375 N GLU A 24 -1.275 -2.168 9.786 1.00 0.00 N ATOM 376 CA GLU A 24 -0.899 -2.529 11.194 1.00 0.00 C ATOM 377 C GLU A 24 0.044 -3.777 11.277 1.00 0.00 C ATOM 378 O GLU A 24 0.261 -4.487 10.297 1.00 0.00 O ATOM 379 CB GLU A 24 -2.202 -2.793 12.023 1.00 0.00 C ATOM 380 CG GLU A 24 -2.033 -2.801 13.559 1.00 0.00 C ATOM 381 CD GLU A 24 -3.356 -3.032 14.306 1.00 0.00 C ATOM 382 OE1 GLU A 24 -4.123 -2.063 14.498 1.00 0.00 O ATOM 383 OE2 GLU A 24 -3.653 -4.187 14.675 1.00 0.00 O ATOM 0 H GLU A 24 -0.926 -2.818 9.081 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.342 -1.688 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.937 -2.032 11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.616 -3.754 11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.324 -3.581 13.837 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.603 -1.851 13.877 1.00 0.00 H new ATOM 390 N LEU A 25 0.612 -4.023 12.479 1.00 0.00 N ATOM 391 CA LEU A 25 1.407 -5.234 12.771 1.00 0.00 C ATOM 392 C LEU A 25 0.551 -6.515 12.651 1.00 0.00 C ATOM 393 O LEU A 25 1.012 -7.502 12.103 1.00 0.00 O ATOM 394 CB LEU A 25 2.017 -5.160 14.197 1.00 0.00 C ATOM 395 CG LEU A 25 2.824 -6.422 14.667 1.00 0.00 C ATOM 396 CD1 LEU A 25 4.116 -6.628 13.840 1.00 0.00 C ATOM 397 CD2 LEU A 25 3.121 -6.361 16.181 1.00 0.00 C ATOM 0 H LEU A 25 0.531 -3.387 13.272 1.00 0.00 H new ATOM 0 HA LEU A 25 2.209 -5.278 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.677 -4.293 14.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.209 -4.985 14.907 1.00 0.00 H new ATOM 0 HG LEU A 25 2.195 -7.293 14.487 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.642 -7.512 14.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.858 -6.762 12.789 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.760 -5.755 13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.681 -7.248 16.478 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.709 -5.470 16.401 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.183 -6.322 16.735 1.00 0.00 H new ATOM 409 N ASP A 26 -0.685 -6.484 13.181 1.00 0.00 N ATOM 410 CA ASP A 26 -1.584 -7.671 13.220 1.00 0.00 C ATOM 411 C ASP A 26 -1.852 -8.252 11.812 1.00 0.00 C ATOM 412 O ASP A 26 -1.812 -9.476 11.620 1.00 0.00 O ATOM 413 CB ASP A 26 -2.909 -7.306 13.925 1.00 0.00 C ATOM 414 CG ASP A 26 -4.002 -8.393 13.837 1.00 0.00 C ATOM 415 OD1 ASP A 26 -3.845 -9.469 14.460 1.00 0.00 O ATOM 416 OD2 ASP A 26 -5.032 -8.167 13.156 1.00 0.00 O ATOM 0 H ASP A 26 -1.094 -5.646 13.594 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.077 -8.450 13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.702 -7.101 14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -3.295 -6.384 13.490 1.00 0.00 H new ATOM 421 N GLU A 27 -2.116 -7.368 10.836 1.00 0.00 N ATOM 422 CA GLU A 27 -2.337 -7.780 9.438 1.00 0.00 C ATOM 423 C GLU A 27 -1.038 -8.330 8.828 1.00 0.00 C ATOM 424 O GLU A 27 -1.075 -9.297 8.065 1.00 0.00 O ATOM 425 CB GLU A 27 -2.944 -6.622 8.607 1.00 0.00 C ATOM 426 CG GLU A 27 -2.151 -5.301 8.586 1.00 0.00 C ATOM 427 CD GLU A 27 -0.997 -5.160 7.548 1.00 0.00 C ATOM 428 OE1 GLU A 27 -0.730 -6.100 6.777 1.00 0.00 O ATOM 429 OE2 GLU A 27 -0.372 -4.077 7.502 1.00 0.00 O ATOM 0 H GLU A 27 -2.182 -6.362 10.989 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.067 -8.589 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.062 -6.965 7.579 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.943 -6.414 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.858 -4.489 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.728 -5.149 9.579 1.00 0.00 H new ATOM 436 N TYR A 28 0.102 -7.693 9.181 1.00 0.00 N ATOM 437 CA TYR A 28 1.448 -8.180 8.818 1.00 0.00 C ATOM 438 C TYR A 28 1.651 -9.625 9.304 1.00 0.00 C ATOM 439 O TYR A 28 2.258 -10.418 8.602 1.00 0.00 O ATOM 440 CB TYR A 28 2.526 -7.225 9.403 1.00 0.00 C ATOM 441 CG TYR A 28 3.995 -7.722 9.374 1.00 0.00 C ATOM 442 CD1 TYR A 28 4.826 -7.492 8.277 1.00 0.00 C ATOM 443 CD2 TYR A 28 4.557 -8.384 10.477 1.00 0.00 C ATOM 444 CE1 TYR A 28 6.145 -7.914 8.277 1.00 0.00 C ATOM 445 CE2 TYR A 28 5.874 -8.804 10.477 1.00 0.00 C ATOM 446 CZ TYR A 28 6.663 -8.564 9.379 1.00 0.00 C ATOM 447 OH TYR A 28 7.980 -8.984 9.369 1.00 0.00 O ATOM 0 H TYR A 28 0.112 -6.830 9.724 1.00 0.00 H new ATOM 0 HA TYR A 28 1.548 -8.185 7.733 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.476 -6.283 8.858 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.262 -7.009 10.438 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.434 -6.976 7.413 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.945 -8.570 11.347 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.769 -7.734 7.414 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.280 -9.318 11.336 1.00 0.00 H new ATOM 0 HH TYR A 28 8.190 -9.423 10.220 1.00 0.00 H new ATOM 457 N GLU A 29 1.107 -9.941 10.506 1.00 0.00 N ATOM 458 CA GLU A 29 1.233 -11.269 11.145 1.00 0.00 C ATOM 459 C GLU A 29 0.451 -12.355 10.376 1.00 0.00 C ATOM 460 O GLU A 29 0.911 -13.502 10.270 1.00 0.00 O ATOM 461 CB GLU A 29 0.725 -11.234 12.621 1.00 0.00 C ATOM 462 CG GLU A 29 1.446 -10.262 13.571 1.00 0.00 C ATOM 463 CD GLU A 29 2.911 -10.635 13.852 1.00 0.00 C ATOM 464 OE1 GLU A 29 3.159 -11.479 14.749 1.00 0.00 O ATOM 465 OE2 GLU A 29 3.819 -10.098 13.193 1.00 0.00 O ATOM 0 H GLU A 29 0.567 -9.276 11.059 1.00 0.00 H new ATOM 0 HA GLU A 29 2.294 -11.520 11.128 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.335 -10.979 12.611 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.807 -12.239 13.034 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.412 -9.260 13.143 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.904 -10.224 14.516 1.00 0.00 H new ATOM 472 N GLU A 30 -0.763 -12.006 9.895 1.00 0.00 N ATOM 473 CA GLU A 30 -1.679 -12.990 9.264 1.00 0.00 C ATOM 474 C GLU A 30 -1.346 -13.244 7.771 1.00 0.00 C ATOM 475 O GLU A 30 -1.272 -14.408 7.351 1.00 0.00 O ATOM 476 CB GLU A 30 -3.166 -12.600 9.484 1.00 0.00 C ATOM 477 CG GLU A 30 -3.561 -11.200 9.011 1.00 0.00 C ATOM 478 CD GLU A 30 -5.037 -10.873 9.268 1.00 0.00 C ATOM 479 OE1 GLU A 30 -5.911 -11.460 8.590 1.00 0.00 O ATOM 480 OE2 GLU A 30 -5.336 -10.062 10.166 1.00 0.00 O ATOM 0 H GLU A 30 -1.132 -11.056 9.930 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.519 -13.943 9.768 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.793 -13.328 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.390 -12.681 10.548 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.938 -10.463 9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.356 -11.112 7.944 1.00 0.00 H new ATOM 487 N LEU A 31 -1.119 -12.170 6.992 1.00 0.00 N ATOM 488 CA LEU A 31 -0.711 -12.261 5.563 1.00 0.00 C ATOM 489 C LEU A 31 -0.377 -10.859 5.029 1.00 0.00 C ATOM 490 O LEU A 31 -1.130 -9.905 5.264 1.00 0.00 O ATOM 491 CB LEU A 31 -1.778 -12.959 4.635 1.00 0.00 C ATOM 492 CG LEU A 31 -3.071 -12.156 4.232 1.00 0.00 C ATOM 493 CD1 LEU A 31 -3.827 -12.837 3.071 1.00 0.00 C ATOM 494 CD2 LEU A 31 -4.018 -11.957 5.421 1.00 0.00 C ATOM 0 H LEU A 31 -1.211 -11.211 7.328 1.00 0.00 H new ATOM 0 HA LEU A 31 0.172 -12.900 5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.273 -13.255 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.099 -13.875 5.131 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.729 -11.176 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.713 -12.253 2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.176 -12.898 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.127 -13.841 3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.896 -11.398 5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.328 -12.929 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.504 -11.402 6.206 1.00 0.00 H new ATOM 506 N HIS A 32 0.744 -10.735 4.303 1.00 0.00 N ATOM 507 CA HIS A 32 1.155 -9.454 3.688 1.00 0.00 C ATOM 508 C HIS A 32 2.049 -9.718 2.462 1.00 0.00 C ATOM 509 O HIS A 32 2.452 -10.859 2.207 1.00 0.00 O ATOM 510 CB HIS A 32 1.872 -8.550 4.739 1.00 0.00 C ATOM 511 CG HIS A 32 3.294 -8.942 5.051 1.00 0.00 C ATOM 512 ND1 HIS A 32 3.641 -10.125 5.660 1.00 0.00 N ATOM 513 CD2 HIS A 32 4.460 -8.307 4.791 1.00 0.00 C ATOM 514 CE1 HIS A 32 4.953 -10.200 5.752 1.00 0.00 C ATOM 515 NE2 HIS A 32 5.473 -9.110 5.233 1.00 0.00 N ATOM 0 H HIS A 32 1.387 -11.506 4.124 1.00 0.00 H new ATOM 0 HA HIS A 32 0.268 -8.921 3.347 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.865 -7.522 4.377 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.295 -8.566 5.664 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.570 -7.341 4.320 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.509 -11.020 6.182 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.469 -8.899 5.171 1.00 0.00 H new ATOM 524 N LEU A 33 2.346 -8.654 1.703 1.00 0.00 N ATOM 525 CA LEU A 33 3.233 -8.731 0.525 1.00 0.00 C ATOM 526 C LEU A 33 4.712 -8.655 0.946 1.00 0.00 C ATOM 527 O LEU A 33 5.053 -7.883 1.843 1.00 0.00 O ATOM 528 CB LEU A 33 2.906 -7.581 -0.456 1.00 0.00 C ATOM 529 CG LEU A 33 1.525 -7.666 -1.152 1.00 0.00 C ATOM 530 CD1 LEU A 33 1.196 -6.354 -1.884 1.00 0.00 C ATOM 531 CD2 LEU A 33 1.445 -8.868 -2.124 1.00 0.00 C ATOM 0 H LEU A 33 1.982 -7.718 1.884 1.00 0.00 H new ATOM 0 HA LEU A 33 3.065 -9.688 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.961 -6.638 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.679 -7.552 -1.224 1.00 0.00 H new ATOM 0 HG LEU A 33 0.779 -7.823 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.221 -6.440 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.176 -5.533 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.957 -6.158 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.461 -8.893 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.210 -8.765 -2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.608 -9.794 -1.572 1.00 0.00 H new ATOM 543 N PRO A 34 5.623 -9.413 0.258 1.00 0.00 N ATOM 544 CA PRO A 34 7.070 -9.420 0.589 1.00 0.00 C ATOM 545 C PRO A 34 7.757 -8.095 0.178 1.00 0.00 C ATOM 546 O PRO A 34 8.782 -7.713 0.745 1.00 0.00 O ATOM 547 CB PRO A 34 7.606 -10.629 -0.220 1.00 0.00 C ATOM 548 CG PRO A 34 6.686 -10.732 -1.397 1.00 0.00 C ATOM 549 CD PRO A 34 5.318 -10.296 -0.906 1.00 0.00 C ATOM 0 HA PRO A 34 7.266 -9.505 1.658 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.637 -10.469 -0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.592 -11.542 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.027 -10.096 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.655 -11.753 -1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.767 -9.762 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.708 -11.150 -0.612 1.00 0.00 H new ATOM 557 N ASN A 35 7.147 -7.403 -0.806 1.00 0.00 N ATOM 558 CA ASN A 35 7.638 -6.122 -1.345 1.00 0.00 C ATOM 559 C ASN A 35 6.980 -4.924 -0.624 1.00 0.00 C ATOM 560 O ASN A 35 7.166 -3.767 -1.046 1.00 0.00 O ATOM 561 CB ASN A 35 7.347 -6.050 -2.871 1.00 0.00 C ATOM 562 CG ASN A 35 7.973 -7.208 -3.658 1.00 0.00 C ATOM 563 OD1 ASN A 35 9.143 -7.150 -4.043 1.00 0.00 O ATOM 564 ND2 ASN A 35 7.195 -8.255 -3.923 1.00 0.00 N ATOM 0 H ASN A 35 6.288 -7.724 -1.253 1.00 0.00 H new ATOM 0 HA ASN A 35 8.713 -6.068 -1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.269 -6.052 -3.030 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.725 -5.106 -3.263 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.563 -9.041 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.231 -8.272 -3.590 1.00 0.00 H new ATOM 571 N ALA A 36 6.214 -5.205 0.459 1.00 0.00 N ATOM 572 CA ALA A 36 5.469 -4.180 1.216 1.00 0.00 C ATOM 573 C ALA A 36 6.198 -3.808 2.519 1.00 0.00 C ATOM 574 O ALA A 36 6.610 -4.690 3.278 1.00 0.00 O ATOM 575 CB ALA A 36 4.040 -4.664 1.509 1.00 0.00 C ATOM 0 H ALA A 36 6.098 -6.149 0.828 1.00 0.00 H new ATOM 0 HA ALA A 36 5.412 -3.281 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.504 -3.897 2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.522 -4.858 0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.080 -5.581 2.097 1.00 0.00 H new ATOM 581 N THR A 37 6.377 -2.494 2.743 1.00 0.00 N ATOM 582 CA THR A 37 6.918 -1.947 3.999 1.00 0.00 C ATOM 583 C THR A 37 5.801 -1.892 5.059 1.00 0.00 C ATOM 584 O THR A 37 4.711 -1.389 4.772 1.00 0.00 O ATOM 585 CB THR A 37 7.494 -0.507 3.768 1.00 0.00 C ATOM 586 OG1 THR A 37 8.499 -0.541 2.748 1.00 0.00 O ATOM 587 CG2 THR A 37 8.102 0.105 5.041 1.00 0.00 C ATOM 0 H THR A 37 6.149 -1.778 2.053 1.00 0.00 H new ATOM 0 HA THR A 37 7.723 -2.594 4.346 1.00 0.00 H new ATOM 0 HB THR A 37 6.655 0.119 3.465 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.856 0.361 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.484 1.101 4.819 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.336 0.174 5.813 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.918 -0.526 5.394 1.00 0.00 H new ATOM 595 N LEU A 38 6.070 -2.416 6.271 1.00 0.00 N ATOM 596 CA LEU A 38 5.108 -2.373 7.393 1.00 0.00 C ATOM 597 C LEU A 38 5.053 -0.924 7.931 1.00 0.00 C ATOM 598 O LEU A 38 5.971 -0.475 8.627 1.00 0.00 O ATOM 599 CB LEU A 38 5.532 -3.367 8.530 1.00 0.00 C ATOM 600 CG LEU A 38 4.418 -3.930 9.503 1.00 0.00 C ATOM 601 CD1 LEU A 38 5.061 -4.584 10.749 1.00 0.00 C ATOM 602 CD2 LEU A 38 3.362 -2.885 9.925 1.00 0.00 C ATOM 0 H LEU A 38 6.951 -2.877 6.500 1.00 0.00 H new ATOM 0 HA LEU A 38 4.122 -2.678 7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.020 -4.220 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.283 -2.868 9.142 1.00 0.00 H new ATOM 0 HG LEU A 38 3.879 -4.684 8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.278 -4.965 11.405 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.705 -5.406 10.437 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.654 -3.842 11.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.635 -3.350 10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.853 -2.061 10.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.852 -2.505 9.040 1.00 0.00 H new ATOM 614 N ILE A 39 4.000 -0.199 7.540 1.00 0.00 N ATOM 615 CA ILE A 39 3.663 1.137 8.067 1.00 0.00 C ATOM 616 C ILE A 39 2.150 1.160 8.327 1.00 0.00 C ATOM 617 O ILE A 39 1.384 0.586 7.569 1.00 0.00 O ATOM 618 CB ILE A 39 4.060 2.298 7.061 1.00 0.00 C ATOM 619 CG1 ILE A 39 5.599 2.292 6.780 1.00 0.00 C ATOM 620 CG2 ILE A 39 3.606 3.690 7.575 1.00 0.00 C ATOM 621 CD1 ILE A 39 6.088 3.306 5.753 1.00 0.00 C ATOM 0 H ILE A 39 3.341 -0.527 6.834 1.00 0.00 H new ATOM 0 HA ILE A 39 4.227 1.314 8.982 1.00 0.00 H new ATOM 0 HB ILE A 39 3.535 2.106 6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.122 2.473 7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.884 1.295 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.898 4.456 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.523 3.698 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.079 3.895 8.536 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.168 3.214 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.603 3.117 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.844 4.313 6.091 1.00 0.00 H new ATOM 633 N SER A 40 1.711 1.795 9.402 1.00 0.00 N ATOM 634 CA SER A 40 0.273 1.953 9.655 1.00 0.00 C ATOM 635 C SER A 40 -0.259 3.175 8.885 1.00 0.00 C ATOM 636 O SER A 40 0.478 4.131 8.630 1.00 0.00 O ATOM 637 CB SER A 40 -0.014 2.085 11.164 1.00 0.00 C ATOM 638 OG SER A 40 -1.398 2.264 11.420 1.00 0.00 O ATOM 0 H SER A 40 2.316 2.208 10.111 1.00 0.00 H new ATOM 0 HA SER A 40 -0.244 1.061 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.340 1.193 11.681 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.543 2.930 11.568 1.00 0.00 H new ATOM 0 HG SER A 40 -1.894 1.483 11.096 1.00 0.00 H new ATOM 644 N VAL A 41 -1.544 3.111 8.499 1.00 0.00 N ATOM 645 CA VAL A 41 -2.309 4.274 7.994 1.00 0.00 C ATOM 646 C VAL A 41 -2.292 5.445 9.022 1.00 0.00 C ATOM 647 O VAL A 41 -2.435 6.607 8.652 1.00 0.00 O ATOM 648 CB VAL A 41 -3.792 3.846 7.666 1.00 0.00 C ATOM 649 CG1 VAL A 41 -4.513 3.313 8.930 1.00 0.00 C ATOM 650 CG2 VAL A 41 -4.595 4.993 6.983 1.00 0.00 C ATOM 0 H VAL A 41 -2.088 2.249 8.527 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.833 4.626 7.079 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.742 3.029 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.533 3.026 8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.978 2.445 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.536 4.093 9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.610 4.653 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.630 5.857 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.108 5.272 6.049 1.00 0.00 H new ATOM 660 N ASN A 42 -2.092 5.093 10.312 1.00 0.00 N ATOM 661 CA ASN A 42 -1.984 6.051 11.431 1.00 0.00 C ATOM 662 C ASN A 42 -0.615 6.768 11.430 1.00 0.00 C ATOM 663 O ASN A 42 -0.503 7.911 11.888 1.00 0.00 O ATOM 664 CB ASN A 42 -2.145 5.313 12.785 1.00 0.00 C ATOM 665 CG ASN A 42 -3.404 4.451 12.888 1.00 0.00 C ATOM 666 OD1 ASN A 42 -4.445 4.761 12.310 1.00 0.00 O ATOM 667 ND2 ASN A 42 -3.311 3.353 13.626 1.00 0.00 N ATOM 0 H ASN A 42 -2.000 4.121 10.607 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.776 6.789 11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.272 4.681 12.946 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.157 6.050 13.588 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.117 2.737 13.727 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.433 3.125 14.092 1.00 0.00 H new ATOM 674 N ASP A 43 0.422 6.060 10.939 1.00 0.00 N ATOM 675 CA ASP A 43 1.817 6.535 10.965 1.00 0.00 C ATOM 676 C ASP A 43 2.087 7.501 9.802 1.00 0.00 C ATOM 677 O ASP A 43 2.557 7.089 8.742 1.00 0.00 O ATOM 678 CB ASP A 43 2.820 5.334 10.926 1.00 0.00 C ATOM 679 CG ASP A 43 2.733 4.386 12.135 1.00 0.00 C ATOM 680 OD1 ASP A 43 2.501 4.857 13.271 1.00 0.00 O ATOM 681 OD2 ASP A 43 2.911 3.161 11.953 1.00 0.00 O ATOM 0 H ASP A 43 0.313 5.140 10.512 1.00 0.00 H new ATOM 0 HA ASP A 43 1.969 7.074 11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.643 4.759 10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.835 5.727 10.862 1.00 0.00 H new ATOM 686 N GLN A 44 1.741 8.787 10.001 1.00 0.00 N ATOM 687 CA GLN A 44 2.075 9.866 9.049 1.00 0.00 C ATOM 688 C GLN A 44 3.583 10.142 9.079 1.00 0.00 C ATOM 689 O GLN A 44 4.187 10.379 8.041 1.00 0.00 O ATOM 690 CB GLN A 44 1.291 11.186 9.352 1.00 0.00 C ATOM 691 CG GLN A 44 -0.181 11.213 8.896 1.00 0.00 C ATOM 692 CD GLN A 44 -1.063 10.189 9.611 1.00 0.00 C ATOM 693 OE1 GLN A 44 -1.629 10.462 10.671 1.00 0.00 O ATOM 694 NE2 GLN A 44 -1.205 9.012 9.029 1.00 0.00 N ATOM 0 H GLN A 44 1.225 9.107 10.821 1.00 0.00 H new ATOM 0 HA GLN A 44 1.778 9.527 8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.322 11.366 10.427 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.814 12.015 8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.587 12.210 9.065 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.223 11.030 7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.723 8.816 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.796 8.299 9.457 1.00 0.00 H new ATOM 703 N GLU A 45 4.176 10.100 10.286 1.00 0.00 N ATOM 704 CA GLU A 45 5.604 10.414 10.487 1.00 0.00 C ATOM 705 C GLU A 45 6.529 9.374 9.816 1.00 0.00 C ATOM 706 O GLU A 45 7.543 9.746 9.231 1.00 0.00 O ATOM 707 CB GLU A 45 5.935 10.641 12.003 1.00 0.00 C ATOM 708 CG GLU A 45 5.219 9.717 13.015 1.00 0.00 C ATOM 709 CD GLU A 45 5.665 8.252 12.974 1.00 0.00 C ATOM 710 OE1 GLU A 45 6.802 7.950 13.393 1.00 0.00 O ATOM 711 OE2 GLU A 45 4.884 7.401 12.504 1.00 0.00 O ATOM 0 H GLU A 45 3.684 9.850 11.144 1.00 0.00 H new ATOM 0 HA GLU A 45 5.805 11.359 9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.010 10.525 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.692 11.674 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.385 10.105 14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.146 9.761 12.830 1.00 0.00 H new ATOM 718 N LYS A 46 6.154 8.084 9.870 1.00 0.00 N ATOM 719 CA LYS A 46 6.937 7.000 9.242 1.00 0.00 C ATOM 720 C LYS A 46 6.668 6.938 7.733 1.00 0.00 C ATOM 721 O LYS A 46 7.590 6.708 6.942 1.00 0.00 O ATOM 722 CB LYS A 46 6.618 5.632 9.900 1.00 0.00 C ATOM 723 CG LYS A 46 7.411 4.399 9.358 1.00 0.00 C ATOM 724 CD LYS A 46 8.947 4.423 9.640 1.00 0.00 C ATOM 725 CE LYS A 46 9.789 5.098 8.534 1.00 0.00 C ATOM 726 NZ LYS A 46 11.226 5.195 8.905 1.00 0.00 N ATOM 0 H LYS A 46 5.310 7.764 10.344 1.00 0.00 H new ATOM 0 HA LYS A 46 7.993 7.219 9.398 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.806 5.716 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.553 5.434 9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.991 3.494 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.256 4.332 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.123 4.943 10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.296 3.399 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.692 4.531 7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.397 6.096 8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.637 6.052 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.315 5.243 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.733 4.358 8.553 1.00 0.00 H new ATOM 740 N LEU A 47 5.406 7.156 7.338 1.00 0.00 N ATOM 741 CA LEU A 47 4.997 7.052 5.923 1.00 0.00 C ATOM 742 C LEU A 47 5.649 8.171 5.096 1.00 0.00 C ATOM 743 O LEU A 47 6.270 7.915 4.064 1.00 0.00 O ATOM 744 CB LEU A 47 3.460 7.100 5.796 1.00 0.00 C ATOM 745 CG LEU A 47 2.867 6.751 4.396 1.00 0.00 C ATOM 746 CD1 LEU A 47 3.345 5.364 3.901 1.00 0.00 C ATOM 747 CD2 LEU A 47 1.330 6.820 4.430 1.00 0.00 C ATOM 0 H LEU A 47 4.649 7.405 7.974 1.00 0.00 H new ATOM 0 HA LEU A 47 5.338 6.093 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.035 6.413 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.126 8.101 6.068 1.00 0.00 H new ATOM 0 HG LEU A 47 3.234 7.493 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.911 5.157 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.432 5.360 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.029 4.597 4.608 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.933 6.574 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.950 6.108 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.017 7.827 4.706 1.00 0.00 H new ATOM 759 N ALA A 48 5.523 9.402 5.610 1.00 0.00 N ATOM 760 CA ALA A 48 6.111 10.601 5.004 1.00 0.00 C ATOM 761 C ALA A 48 7.644 10.539 5.030 1.00 0.00 C ATOM 762 O ALA A 48 8.283 11.017 4.097 1.00 0.00 O ATOM 763 CB ALA A 48 5.607 11.858 5.719 1.00 0.00 C ATOM 0 H ALA A 48 5.004 9.594 6.467 1.00 0.00 H new ATOM 0 HA ALA A 48 5.798 10.644 3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.051 12.741 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.522 11.913 5.636 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.889 11.816 6.771 1.00 0.00 H new ATOM 769 N ASP A 49 8.218 9.943 6.107 1.00 0.00 N ATOM 770 CA ASP A 49 9.680 9.710 6.207 1.00 0.00 C ATOM 771 C ASP A 49 10.160 8.791 5.074 1.00 0.00 C ATOM 772 O ASP A 49 11.145 9.102 4.421 1.00 0.00 O ATOM 773 CB ASP A 49 10.076 9.097 7.578 1.00 0.00 C ATOM 774 CG ASP A 49 11.586 8.796 7.706 1.00 0.00 C ATOM 775 OD1 ASP A 49 12.378 9.736 7.940 1.00 0.00 O ATOM 776 OD2 ASP A 49 11.994 7.627 7.536 1.00 0.00 O ATOM 0 H ASP A 49 7.690 9.616 6.916 1.00 0.00 H new ATOM 0 HA ASP A 49 10.166 10.682 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.782 9.783 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.516 8.174 7.730 1.00 0.00 H new ATOM 781 N PHE A 50 9.433 7.682 4.841 1.00 0.00 N ATOM 782 CA PHE A 50 9.769 6.688 3.790 1.00 0.00 C ATOM 783 C PHE A 50 9.757 7.348 2.396 1.00 0.00 C ATOM 784 O PHE A 50 10.640 7.108 1.560 1.00 0.00 O ATOM 785 CB PHE A 50 8.767 5.497 3.839 1.00 0.00 C ATOM 786 CG PHE A 50 9.063 4.375 2.830 1.00 0.00 C ATOM 787 CD1 PHE A 50 10.086 3.455 3.071 1.00 0.00 C ATOM 788 CD2 PHE A 50 8.333 4.249 1.646 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.364 2.446 2.165 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.615 3.238 0.742 1.00 0.00 C ATOM 791 CZ PHE A 50 9.631 2.339 1.001 1.00 0.00 C ATOM 0 H PHE A 50 8.596 7.445 5.373 1.00 0.00 H new ATOM 0 HA PHE A 50 10.773 6.308 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.772 5.075 4.844 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.761 5.876 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.668 3.532 3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.539 4.949 1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.156 1.741 2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.039 3.153 -0.168 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.851 1.553 0.293 1.00 0.00 H new ATOM 801 N LEU A 51 8.750 8.208 2.186 1.00 0.00 N ATOM 802 CA LEU A 51 8.585 8.976 0.947 1.00 0.00 C ATOM 803 C LEU A 51 9.654 10.076 0.827 1.00 0.00 C ATOM 804 O LEU A 51 10.013 10.454 -0.280 1.00 0.00 O ATOM 805 CB LEU A 51 7.162 9.577 0.879 1.00 0.00 C ATOM 806 CG LEU A 51 5.990 8.549 0.972 1.00 0.00 C ATOM 807 CD1 LEU A 51 4.635 9.261 1.030 1.00 0.00 C ATOM 808 CD2 LEU A 51 6.014 7.518 -0.177 1.00 0.00 C ATOM 0 H LEU A 51 8.023 8.390 2.877 1.00 0.00 H new ATOM 0 HA LEU A 51 8.717 8.299 0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.053 10.299 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.064 10.129 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 51 6.134 7.997 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.837 8.521 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.601 9.908 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.501 9.862 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.178 6.828 -0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.930 8.036 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.951 6.961 -0.147 1.00 0.00 H new ATOM 820 N SER A 52 10.147 10.564 1.984 1.00 0.00 N ATOM 821 CA SER A 52 11.181 11.611 2.058 1.00 0.00 C ATOM 822 C SER A 52 12.600 11.034 1.839 1.00 0.00 C ATOM 823 O SER A 52 13.476 11.737 1.327 1.00 0.00 O ATOM 824 CB SER A 52 11.094 12.348 3.412 1.00 0.00 C ATOM 825 OG SER A 52 11.999 13.442 3.490 1.00 0.00 O ATOM 0 H SER A 52 9.835 10.238 2.899 1.00 0.00 H new ATOM 0 HA SER A 52 10.994 12.323 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.077 12.710 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.305 11.647 4.219 1.00 0.00 H new ATOM 0 HG SER A 52 11.909 13.880 4.362 1.00 0.00 H new ATOM 831 N GLN A 53 12.815 9.749 2.233 1.00 0.00 N ATOM 832 CA GLN A 53 14.127 9.050 2.094 1.00 0.00 C ATOM 833 C GLN A 53 14.579 9.040 0.627 1.00 0.00 C ATOM 834 O GLN A 53 15.762 9.209 0.314 1.00 0.00 O ATOM 835 CB GLN A 53 14.038 7.585 2.633 1.00 0.00 C ATOM 836 CG GLN A 53 13.831 7.466 4.154 1.00 0.00 C ATOM 837 CD GLN A 53 14.988 8.037 4.980 1.00 0.00 C ATOM 838 OE1 GLN A 53 16.149 7.998 4.567 1.00 0.00 O ATOM 839 NE2 GLN A 53 14.688 8.568 6.151 1.00 0.00 N ATOM 0 H GLN A 53 12.089 9.170 2.654 1.00 0.00 H new ATOM 0 HA GLN A 53 14.862 9.595 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.216 7.077 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.953 7.058 2.363 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.911 7.983 4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.696 6.416 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.719 8.587 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.425 8.959 6.738 1.00 0.00 H new ATOM 848 N HIS A 54 13.595 8.829 -0.245 1.00 0.00 N ATOM 849 CA HIS A 54 13.742 8.887 -1.693 1.00 0.00 C ATOM 850 C HIS A 54 12.486 9.550 -2.230 1.00 0.00 C ATOM 851 O HIS A 54 11.430 8.928 -2.251 1.00 0.00 O ATOM 852 CB HIS A 54 13.931 7.472 -2.314 1.00 0.00 C ATOM 853 CG HIS A 54 15.241 6.813 -1.937 1.00 0.00 C ATOM 854 ND1 HIS A 54 16.448 7.177 -2.489 1.00 0.00 N ATOM 855 CD2 HIS A 54 15.527 5.844 -1.028 1.00 0.00 C ATOM 856 CE1 HIS A 54 17.415 6.464 -1.946 1.00 0.00 C ATOM 857 NE2 HIS A 54 16.883 5.653 -1.052 1.00 0.00 N ATOM 0 H HIS A 54 12.644 8.606 0.049 1.00 0.00 H new ATOM 0 HA HIS A 54 14.634 9.453 -1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.108 6.832 -1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.873 7.550 -3.400 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.817 5.322 -0.403 1.00 0.00 H new ATOM 0 HE1 HIS A 54 18.465 6.532 -2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 54 17.398 4.991 -0.472 1.00 0.00 H new ATOM 866 N LYS A 55 12.588 10.848 -2.551 1.00 0.00 N ATOM 867 CA LYS A 55 11.498 11.627 -3.196 1.00 0.00 C ATOM 868 C LYS A 55 11.586 11.559 -4.735 1.00 0.00 C ATOM 869 O LYS A 55 10.931 12.334 -5.439 1.00 0.00 O ATOM 870 CB LYS A 55 11.518 13.101 -2.684 1.00 0.00 C ATOM 871 CG LYS A 55 11.177 13.218 -1.186 1.00 0.00 C ATOM 872 CD LYS A 55 11.107 14.661 -0.635 1.00 0.00 C ATOM 873 CE LYS A 55 10.139 15.566 -1.404 1.00 0.00 C ATOM 874 NZ LYS A 55 9.928 16.870 -0.721 1.00 0.00 N ATOM 0 H LYS A 55 13.429 11.398 -2.374 1.00 0.00 H new ATOM 0 HA LYS A 55 10.544 11.180 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.505 13.529 -2.862 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.806 13.691 -3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.217 12.732 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.923 12.665 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.805 14.627 0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.104 15.101 -0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.528 15.742 -2.407 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.181 15.058 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.267 17.450 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.533 16.706 0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.837 17.368 -0.635 1.00 0.00 H new ATOM 888 N ASP A 56 12.397 10.611 -5.237 1.00 0.00 N ATOM 889 CA ASP A 56 12.561 10.328 -6.667 1.00 0.00 C ATOM 890 C ASP A 56 12.369 8.811 -6.869 1.00 0.00 C ATOM 891 O ASP A 56 13.335 8.054 -6.946 1.00 0.00 O ATOM 892 CB ASP A 56 13.959 10.824 -7.132 1.00 0.00 C ATOM 893 CG ASP A 56 14.238 10.582 -8.627 1.00 0.00 C ATOM 894 OD1 ASP A 56 13.693 11.330 -9.470 1.00 0.00 O ATOM 895 OD2 ASP A 56 15.011 9.658 -8.968 1.00 0.00 O ATOM 0 H ASP A 56 12.968 10.009 -4.643 1.00 0.00 H new ATOM 0 HA ASP A 56 11.823 10.853 -7.273 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.044 11.891 -6.924 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.727 10.323 -6.543 1.00 0.00 H new ATOM 900 N LYS A 57 11.096 8.378 -6.843 1.00 0.00 N ATOM 901 CA LYS A 57 10.715 6.947 -6.915 1.00 0.00 C ATOM 902 C LYS A 57 9.237 6.790 -7.378 1.00 0.00 C ATOM 903 O LYS A 57 8.584 7.769 -7.751 1.00 0.00 O ATOM 904 CB LYS A 57 10.944 6.273 -5.521 1.00 0.00 C ATOM 905 CG LYS A 57 9.835 6.475 -4.453 1.00 0.00 C ATOM 906 CD LYS A 57 9.388 7.944 -4.236 1.00 0.00 C ATOM 907 CE LYS A 57 8.396 8.083 -3.087 1.00 0.00 C ATOM 908 NZ LYS A 57 8.950 7.515 -1.836 1.00 0.00 N ATOM 0 H LYS A 57 10.297 9.008 -6.771 1.00 0.00 H new ATOM 0 HA LYS A 57 11.343 6.448 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.072 5.202 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.882 6.649 -5.112 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.964 5.886 -4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.191 6.076 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.263 8.562 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.935 8.323 -5.152 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.153 9.135 -2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.466 7.574 -3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.317 7.741 -1.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.032 6.483 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.890 7.922 -1.656 1.00 0.00 H new ATOM 922 N LYS A 58 8.729 5.548 -7.351 1.00 0.00 N ATOM 923 CA LYS A 58 7.314 5.241 -7.592 1.00 0.00 C ATOM 924 C LYS A 58 6.804 4.284 -6.492 1.00 0.00 C ATOM 925 O LYS A 58 7.097 3.091 -6.545 1.00 0.00 O ATOM 926 CB LYS A 58 7.153 4.630 -9.000 1.00 0.00 C ATOM 927 CG LYS A 58 5.717 4.709 -9.544 1.00 0.00 C ATOM 928 CD LYS A 58 5.637 4.382 -11.042 1.00 0.00 C ATOM 929 CE LYS A 58 6.163 2.975 -11.385 1.00 0.00 C ATOM 930 NZ LYS A 58 6.037 2.669 -12.833 1.00 0.00 N ATOM 0 H LYS A 58 9.296 4.722 -7.159 1.00 0.00 H new ATOM 0 HA LYS A 58 6.716 6.151 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.823 5.145 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.465 3.586 -8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.083 4.016 -8.990 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.321 5.710 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.601 4.466 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.209 5.123 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.209 2.897 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.612 2.232 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.532 1.768 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.507 3.430 -13.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.984 2.594 -13.256 1.00 0.00 H new ATOM 944 N VAL A 59 6.098 4.814 -5.468 1.00 0.00 N ATOM 945 CA VAL A 59 5.561 3.987 -4.347 1.00 0.00 C ATOM 946 C VAL A 59 4.048 3.739 -4.509 1.00 0.00 C ATOM 947 O VAL A 59 3.316 4.605 -4.988 1.00 0.00 O ATOM 948 CB VAL A 59 5.889 4.640 -2.938 1.00 0.00 C ATOM 949 CG1 VAL A 59 5.106 3.993 -1.765 1.00 0.00 C ATOM 950 CG2 VAL A 59 7.404 4.563 -2.648 1.00 0.00 C ATOM 0 H VAL A 59 5.883 5.808 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 59 6.060 3.019 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 59 5.570 5.680 -3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.377 4.486 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.035 4.104 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.355 2.934 -1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.612 5.015 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.720 3.520 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.951 5.100 -3.423 1.00 0.00 H new ATOM 960 N LEU A 60 3.622 2.529 -4.098 1.00 0.00 N ATOM 961 CA LEU A 60 2.224 2.067 -4.112 1.00 0.00 C ATOM 962 C LEU A 60 1.820 1.680 -2.667 1.00 0.00 C ATOM 963 O LEU A 60 2.419 0.785 -2.074 1.00 0.00 O ATOM 964 CB LEU A 60 2.114 0.867 -5.123 1.00 0.00 C ATOM 965 CG LEU A 60 0.729 0.145 -5.327 1.00 0.00 C ATOM 966 CD1 LEU A 60 0.460 -0.927 -4.248 1.00 0.00 C ATOM 967 CD2 LEU A 60 -0.414 1.163 -5.419 1.00 0.00 C ATOM 0 H LEU A 60 4.264 1.824 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 60 1.536 2.844 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.438 1.231 -6.098 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.833 0.110 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 60 0.779 -0.385 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.507 -1.395 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.243 -1.684 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.454 -0.459 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.359 0.638 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.457 1.746 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.240 1.830 -6.264 1.00 0.00 H new ATOM 979 N LEU A 61 0.798 2.359 -2.113 1.00 0.00 N ATOM 980 CA LEU A 61 0.273 2.085 -0.755 1.00 0.00 C ATOM 981 C LEU A 61 -0.933 1.136 -0.862 1.00 0.00 C ATOM 982 O LEU A 61 -2.032 1.577 -1.194 1.00 0.00 O ATOM 983 CB LEU A 61 -0.154 3.415 -0.050 1.00 0.00 C ATOM 984 CG LEU A 61 0.891 4.575 -0.023 1.00 0.00 C ATOM 985 CD1 LEU A 61 0.362 5.784 0.780 1.00 0.00 C ATOM 986 CD2 LEU A 61 2.249 4.110 0.530 1.00 0.00 C ATOM 0 H LEU A 61 0.310 3.115 -2.593 1.00 0.00 H new ATOM 0 HA LEU A 61 1.056 1.619 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.055 3.783 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.425 3.180 0.979 1.00 0.00 H new ATOM 0 HG LEU A 61 1.045 4.889 -1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.111 6.576 0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.555 6.153 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.156 5.478 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.947 4.947 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.121 3.742 1.548 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.643 3.310 -0.097 1.00 0.00 H new ATOM 998 N HIS A 62 -0.738 -0.168 -0.615 1.00 0.00 N ATOM 999 CA HIS A 62 -1.833 -1.154 -0.743 1.00 0.00 C ATOM 1000 C HIS A 62 -2.584 -1.320 0.591 1.00 0.00 C ATOM 1001 O HIS A 62 -1.994 -1.186 1.674 1.00 0.00 O ATOM 1002 CB HIS A 62 -1.310 -2.523 -1.268 1.00 0.00 C ATOM 1003 CG HIS A 62 -0.820 -3.495 -0.221 1.00 0.00 C ATOM 1004 ND1 HIS A 62 -1.631 -4.462 0.327 1.00 0.00 N ATOM 1005 CD2 HIS A 62 0.394 -3.678 0.331 1.00 0.00 C ATOM 1006 CE1 HIS A 62 -0.933 -5.202 1.154 1.00 0.00 C ATOM 1007 NE2 HIS A 62 0.302 -4.750 1.170 1.00 0.00 N ATOM 0 H HIS A 62 0.156 -0.566 -0.328 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.538 -0.770 -1.480 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.110 -3.002 -1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.496 -2.333 -1.967 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.623 -4.584 0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.278 -3.086 0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -1.308 -6.039 1.724 1.00 0.00 H new ATOM 1016 N CYS A 63 -3.883 -1.639 0.487 1.00 0.00 N ATOM 1017 CA CYS A 63 -4.770 -1.867 1.647 1.00 0.00 C ATOM 1018 C CYS A 63 -5.658 -3.096 1.418 1.00 0.00 C ATOM 1019 O CYS A 63 -5.848 -3.522 0.283 1.00 0.00 O ATOM 1020 CB CYS A 63 -5.629 -0.620 1.919 1.00 0.00 C ATOM 1021 SG CYS A 63 -6.906 -0.818 3.179 1.00 0.00 S ATOM 0 H CYS A 63 -4.355 -1.748 -0.411 1.00 0.00 H new ATOM 0 HA CYS A 63 -4.149 -2.056 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.971 0.195 2.218 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.106 -0.318 0.987 1.00 0.00 H new ATOM 0 HG CYS A 63 -6.349 -0.928 4.348 1.00 0.00 H new ATOM 1027 N ARG A 64 -6.132 -3.671 2.535 1.00 0.00 N ATOM 1028 CA ARG A 64 -7.042 -4.847 2.584 1.00 0.00 C ATOM 1029 C ARG A 64 -8.403 -4.568 1.913 1.00 0.00 C ATOM 1030 O ARG A 64 -9.099 -5.499 1.500 1.00 0.00 O ATOM 1031 CB ARG A 64 -7.224 -5.224 4.069 1.00 0.00 C ATOM 1032 CG ARG A 64 -8.052 -6.484 4.381 1.00 0.00 C ATOM 1033 CD ARG A 64 -7.926 -6.864 5.863 1.00 0.00 C ATOM 1034 NE ARG A 64 -8.777 -7.985 6.266 1.00 0.00 N ATOM 1035 CZ ARG A 64 -8.878 -8.440 7.530 1.00 0.00 C ATOM 1036 NH1 ARG A 64 -8.183 -7.883 8.517 1.00 0.00 N ATOM 1037 NH2 ARG A 64 -9.693 -9.438 7.812 1.00 0.00 N ATOM 0 H ARG A 64 -5.890 -3.326 3.464 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.602 -5.671 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.235 -5.353 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.690 -4.380 4.577 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.099 -6.308 4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.712 -7.312 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.887 -7.116 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.175 -5.995 6.472 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.328 -8.451 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.561 -7.098 8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.272 -8.240 9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.249 -9.867 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.767 -9.781 8.770 1.00 0.00 H new ATOM 1051 N ALA A 65 -8.781 -3.284 1.845 1.00 0.00 N ATOM 1052 CA ALA A 65 -9.978 -2.832 1.115 1.00 0.00 C ATOM 1053 C ALA A 65 -9.571 -1.767 0.091 1.00 0.00 C ATOM 1054 O ALA A 65 -9.734 -1.948 -1.117 1.00 0.00 O ATOM 1055 CB ALA A 65 -11.033 -2.280 2.090 1.00 0.00 C ATOM 0 H ALA A 65 -8.266 -2.527 2.295 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.423 -3.679 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.909 -1.952 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.323 -3.061 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.615 -1.436 2.638 1.00 0.00 H new ATOM 1061 N GLY A 66 -9.007 -0.666 0.605 1.00 0.00 N ATOM 1062 CA GLY A 66 -8.630 0.489 -0.215 1.00 0.00 C ATOM 1063 C GLY A 66 -8.951 1.808 0.462 1.00 0.00 C ATOM 1064 O GLY A 66 -8.558 2.871 -0.031 1.00 0.00 O ATOM 0 H GLY A 66 -8.801 -0.553 1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.563 0.445 -0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.151 0.438 -1.171 1.00 0.00 H new ATOM 1068 N ARG A 67 -9.679 1.737 1.594 1.00 0.00 N ATOM 1069 CA ARG A 67 -10.045 2.915 2.403 1.00 0.00 C ATOM 1070 C ARG A 67 -8.757 3.511 3.015 1.00 0.00 C ATOM 1071 O ARG A 67 -8.520 4.715 2.933 1.00 0.00 O ATOM 1072 CB ARG A 67 -11.077 2.498 3.507 1.00 0.00 C ATOM 1073 CG ARG A 67 -12.103 3.569 3.977 1.00 0.00 C ATOM 1074 CD ARG A 67 -11.495 4.819 4.657 1.00 0.00 C ATOM 1075 NE ARG A 67 -11.133 5.881 3.692 1.00 0.00 N ATOM 1076 CZ ARG A 67 -10.725 7.115 4.023 1.00 0.00 C ATOM 1077 NH1 ARG A 67 -10.629 7.483 5.300 1.00 0.00 N ATOM 1078 NH2 ARG A 67 -10.431 7.987 3.069 1.00 0.00 N ATOM 0 H ARG A 67 -10.030 0.858 1.974 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.520 3.676 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -11.635 1.638 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.517 2.163 4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -12.685 3.893 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.799 3.100 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.209 5.218 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.607 4.526 5.217 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.199 5.657 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.867 6.823 6.040 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.317 8.425 5.537 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.516 7.718 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.120 8.927 3.315 1.00 0.00 H new ATOM 1092 N ARG A 68 -7.922 2.625 3.601 1.00 0.00 N ATOM 1093 CA ARG A 68 -6.638 3.018 4.225 1.00 0.00 C ATOM 1094 C ARG A 68 -5.617 3.431 3.156 1.00 0.00 C ATOM 1095 O ARG A 68 -4.787 4.305 3.394 1.00 0.00 O ATOM 1096 CB ARG A 68 -6.053 1.859 5.077 1.00 0.00 C ATOM 1097 CG ARG A 68 -7.032 1.240 6.096 1.00 0.00 C ATOM 1098 CD ARG A 68 -7.713 2.271 7.015 1.00 0.00 C ATOM 1099 NE ARG A 68 -8.615 1.622 7.983 1.00 0.00 N ATOM 1100 CZ ARG A 68 -9.333 2.252 8.935 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -9.259 3.569 9.093 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -10.113 1.547 9.743 1.00 0.00 N ATOM 0 H ARG A 68 -8.116 1.625 3.655 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.838 3.868 4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.707 1.073 4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.179 2.228 5.614 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.800 0.686 5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.493 0.520 6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.953 2.840 7.550 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.277 2.981 6.411 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.704 0.607 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.651 4.122 8.488 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.810 4.027 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.168 0.533 9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.658 2.018 10.465 1.00 0.00 H new ATOM 1116 N ALA A 69 -5.687 2.759 1.986 1.00 0.00 N ATOM 1117 CA ALA A 69 -4.820 3.050 0.828 1.00 0.00 C ATOM 1118 C ALA A 69 -5.010 4.499 0.385 1.00 0.00 C ATOM 1119 O ALA A 69 -4.047 5.270 0.311 1.00 0.00 O ATOM 1120 CB ALA A 69 -5.128 2.083 -0.330 1.00 0.00 C ATOM 0 H ALA A 69 -6.347 2.000 1.820 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.780 2.909 1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.480 2.311 -1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.952 1.058 -0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.170 2.195 -0.630 1.00 0.00 H new ATOM 1126 N LEU A 70 -6.286 4.841 0.127 1.00 0.00 N ATOM 1127 CA LEU A 70 -6.714 6.190 -0.244 1.00 0.00 C ATOM 1128 C LEU A 70 -6.273 7.196 0.822 1.00 0.00 C ATOM 1129 O LEU A 70 -5.476 8.075 0.530 1.00 0.00 O ATOM 1130 CB LEU A 70 -8.261 6.225 -0.439 1.00 0.00 C ATOM 1131 CG LEU A 70 -8.904 7.624 -0.729 1.00 0.00 C ATOM 1132 CD1 LEU A 70 -8.352 8.259 -2.021 1.00 0.00 C ATOM 1133 CD2 LEU A 70 -10.447 7.536 -0.780 1.00 0.00 C ATOM 0 H LEU A 70 -7.055 4.173 0.173 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.244 6.467 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -8.515 5.557 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.726 5.817 0.458 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.627 8.275 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.826 9.227 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.274 8.393 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.565 7.606 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.861 8.524 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.746 6.848 -1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.823 7.175 0.177 1.00 0.00 H new ATOM 1145 N ASP A 71 -6.741 6.983 2.065 1.00 0.00 N ATOM 1146 CA ASP A 71 -6.581 7.931 3.198 1.00 0.00 C ATOM 1147 C ASP A 71 -5.115 8.305 3.464 1.00 0.00 C ATOM 1148 O ASP A 71 -4.776 9.496 3.586 1.00 0.00 O ATOM 1149 CB ASP A 71 -7.192 7.319 4.479 1.00 0.00 C ATOM 1150 CG ASP A 71 -7.181 8.274 5.687 1.00 0.00 C ATOM 1151 OD1 ASP A 71 -8.010 9.208 5.719 1.00 0.00 O ATOM 1152 OD2 ASP A 71 -6.351 8.093 6.610 1.00 0.00 O ATOM 0 H ASP A 71 -7.250 6.137 2.321 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.104 8.846 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.220 7.019 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.642 6.414 4.737 1.00 0.00 H new ATOM 1157 N ALA A 72 -4.271 7.274 3.571 1.00 0.00 N ATOM 1158 CA ALA A 72 -2.832 7.431 3.809 1.00 0.00 C ATOM 1159 C ALA A 72 -2.184 8.243 2.678 1.00 0.00 C ATOM 1160 O ALA A 72 -1.447 9.203 2.930 1.00 0.00 O ATOM 1161 CB ALA A 72 -2.186 6.048 3.950 1.00 0.00 C ATOM 0 H ALA A 72 -4.568 6.301 3.495 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.674 7.983 4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.117 6.162 4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.638 5.519 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.343 5.478 3.034 1.00 0.00 H new ATOM 1167 N ALA A 73 -2.534 7.881 1.430 1.00 0.00 N ATOM 1168 CA ALA A 73 -2.036 8.560 0.230 1.00 0.00 C ATOM 1169 C ALA A 73 -2.547 10.011 0.137 1.00 0.00 C ATOM 1170 O ALA A 73 -1.828 10.860 -0.382 1.00 0.00 O ATOM 1171 CB ALA A 73 -2.405 7.764 -1.029 1.00 0.00 C ATOM 0 H ALA A 73 -3.170 7.109 1.230 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.950 8.608 0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.028 8.282 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.961 6.770 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.489 7.673 -1.098 1.00 0.00 H new ATOM 1177 N LYS A 74 -3.778 10.296 0.649 1.00 0.00 N ATOM 1178 CA LYS A 74 -4.351 11.667 0.629 1.00 0.00 C ATOM 1179 C LYS A 74 -3.464 12.576 1.447 1.00 0.00 C ATOM 1180 O LYS A 74 -2.946 13.552 0.923 1.00 0.00 O ATOM 1181 CB LYS A 74 -5.813 11.743 1.169 1.00 0.00 C ATOM 1182 CG LYS A 74 -6.822 10.822 0.459 1.00 0.00 C ATOM 1183 CD LYS A 74 -8.297 11.145 0.777 1.00 0.00 C ATOM 1184 CE LYS A 74 -8.797 12.412 0.064 1.00 0.00 C ATOM 1185 NZ LYS A 74 -10.221 12.696 0.380 1.00 0.00 N ATOM 0 H LYS A 74 -4.386 9.598 1.077 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.392 11.982 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.805 11.496 2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.162 12.772 1.084 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.669 10.894 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.618 9.789 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.920 10.300 0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.413 11.270 1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.182 13.262 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.680 12.293 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.522 13.557 -0.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.811 11.895 0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.328 12.834 1.405 1.00 0.00 H new ATOM 1199 N SER A 75 -3.243 12.161 2.707 1.00 0.00 N ATOM 1200 CA SER A 75 -2.402 12.868 3.680 1.00 0.00 C ATOM 1201 C SER A 75 -1.025 13.213 3.084 1.00 0.00 C ATOM 1202 O SER A 75 -0.556 14.335 3.215 1.00 0.00 O ATOM 1203 CB SER A 75 -2.236 11.989 4.940 1.00 0.00 C ATOM 1204 OG SER A 75 -3.503 11.599 5.465 1.00 0.00 O ATOM 0 H SER A 75 -3.654 11.306 3.082 1.00 0.00 H new ATOM 0 HA SER A 75 -2.889 13.806 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.652 11.102 4.694 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.678 12.537 5.699 1.00 0.00 H new ATOM 0 HG SER A 75 -3.839 10.825 4.967 1.00 0.00 H new ATOM 1210 N MET A 76 -0.431 12.246 2.369 1.00 0.00 N ATOM 1211 CA MET A 76 0.912 12.387 1.776 1.00 0.00 C ATOM 1212 C MET A 76 0.915 13.315 0.543 1.00 0.00 C ATOM 1213 O MET A 76 1.880 14.048 0.323 1.00 0.00 O ATOM 1214 CB MET A 76 1.466 11.000 1.422 1.00 0.00 C ATOM 1215 CG MET A 76 1.572 10.068 2.627 1.00 0.00 C ATOM 1216 SD MET A 76 2.581 10.776 3.953 1.00 0.00 S ATOM 1217 CE MET A 76 1.542 10.533 5.395 1.00 0.00 C ATOM 0 H MET A 76 -0.867 11.342 2.184 1.00 0.00 H new ATOM 0 HA MET A 76 1.559 12.857 2.517 1.00 0.00 H new ATOM 0 HB2 MET A 76 0.824 10.540 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.452 11.114 0.971 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.573 9.854 3.008 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.004 9.118 2.312 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.808 11.260 6.162 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.496 10.665 5.117 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.689 9.525 5.784 1.00 0.00 H new ATOM 1227 N HIS A 77 -0.160 13.268 -0.264 1.00 0.00 N ATOM 1228 CA HIS A 77 -0.361 14.213 -1.388 1.00 0.00 C ATOM 1229 C HIS A 77 -0.564 15.659 -0.870 1.00 0.00 C ATOM 1230 O HIS A 77 -0.167 16.622 -1.533 1.00 0.00 O ATOM 1231 CB HIS A 77 -1.532 13.759 -2.303 1.00 0.00 C ATOM 1232 CG HIS A 77 -1.173 12.696 -3.325 1.00 0.00 C ATOM 1233 ND1 HIS A 77 -1.136 12.940 -4.684 1.00 0.00 N ATOM 1234 CD2 HIS A 77 -0.885 11.378 -3.190 1.00 0.00 C ATOM 1235 CE1 HIS A 77 -0.854 11.826 -5.324 1.00 0.00 C ATOM 1236 NE2 HIS A 77 -0.696 10.866 -4.444 1.00 0.00 N ATOM 0 H HIS A 77 -0.909 12.583 -0.161 1.00 0.00 H new ATOM 0 HA HIS A 77 0.543 14.209 -1.996 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.338 13.380 -1.675 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.921 14.631 -2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.817 10.832 -2.261 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -0.767 11.719 -6.395 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.469 9.895 -4.660 1.00 0.00 H new ATOM 1245 N GLU A 78 -1.154 15.785 0.338 1.00 0.00 N ATOM 1246 CA GLU A 78 -1.323 17.079 1.031 1.00 0.00 C ATOM 1247 C GLU A 78 0.040 17.582 1.560 1.00 0.00 C ATOM 1248 O GLU A 78 0.258 18.788 1.686 1.00 0.00 O ATOM 1249 CB GLU A 78 -2.337 16.932 2.198 1.00 0.00 C ATOM 1250 CG GLU A 78 -3.713 16.374 1.783 1.00 0.00 C ATOM 1251 CD GLU A 78 -4.525 17.315 0.884 1.00 0.00 C ATOM 1252 OE1 GLU A 78 -5.161 18.249 1.415 1.00 0.00 O ATOM 1253 OE2 GLU A 78 -4.551 17.114 -0.353 1.00 0.00 O ATOM 0 H GLU A 78 -1.526 14.992 0.860 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.712 17.811 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.907 16.277 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.480 17.907 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.567 15.427 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.291 16.158 2.681 1.00 0.00 H new ATOM 1260 N LEU A 79 0.951 16.628 1.864 1.00 0.00 N ATOM 1261 CA LEU A 79 2.343 16.931 2.287 1.00 0.00 C ATOM 1262 C LEU A 79 3.256 17.215 1.075 1.00 0.00 C ATOM 1263 O LEU A 79 4.443 17.513 1.245 1.00 0.00 O ATOM 1264 CB LEU A 79 2.932 15.770 3.132 1.00 0.00 C ATOM 1265 CG LEU A 79 2.122 15.376 4.395 1.00 0.00 C ATOM 1266 CD1 LEU A 79 2.772 14.203 5.153 1.00 0.00 C ATOM 1267 CD2 LEU A 79 1.877 16.583 5.331 1.00 0.00 C ATOM 0 H LEU A 79 0.745 15.630 1.824 1.00 0.00 H new ATOM 0 HA LEU A 79 2.303 17.830 2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.024 14.891 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.940 16.046 3.441 1.00 0.00 H new ATOM 0 HG LEU A 79 1.147 15.038 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.172 13.960 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.827 13.333 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.777 14.485 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.306 16.259 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.834 16.991 5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.318 17.351 4.796 1.00 0.00 H new ATOM 1279 N GLY A 80 2.701 17.094 -0.144 1.00 0.00 N ATOM 1280 CA GLY A 80 3.413 17.431 -1.379 1.00 0.00 C ATOM 1281 C GLY A 80 3.981 16.225 -2.109 1.00 0.00 C ATOM 1282 O GLY A 80 4.468 16.371 -3.236 1.00 0.00 O ATOM 0 H GLY A 80 1.749 16.760 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.733 17.961 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.226 18.117 -1.143 1.00 0.00 H new ATOM 1286 N TYR A 81 3.958 15.037 -1.465 1.00 0.00 N ATOM 1287 CA TYR A 81 4.427 13.779 -2.101 1.00 0.00 C ATOM 1288 C TYR A 81 3.362 13.275 -3.097 1.00 0.00 C ATOM 1289 O TYR A 81 2.249 13.804 -3.142 1.00 0.00 O ATOM 1290 CB TYR A 81 4.705 12.679 -1.040 1.00 0.00 C ATOM 1291 CG TYR A 81 5.628 13.093 0.122 1.00 0.00 C ATOM 1292 CD1 TYR A 81 7.007 13.286 -0.058 1.00 0.00 C ATOM 1293 CD2 TYR A 81 5.115 13.276 1.410 1.00 0.00 C ATOM 1294 CE1 TYR A 81 7.819 13.643 1.001 1.00 0.00 C ATOM 1295 CE2 TYR A 81 5.931 13.631 2.467 1.00 0.00 C ATOM 1296 CZ TYR A 81 7.281 13.811 2.257 1.00 0.00 C ATOM 1297 OH TYR A 81 8.103 14.167 3.306 1.00 0.00 O ATOM 0 H TYR A 81 3.622 14.920 -0.509 1.00 0.00 H new ATOM 0 HA TYR A 81 5.359 13.991 -2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.752 12.351 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.147 11.818 -1.542 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.439 13.153 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.058 13.137 1.582 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.877 13.790 0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.513 13.767 3.453 1.00 0.00 H new ATOM 0 HH TYR A 81 7.572 14.247 4.125 1.00 0.00 H new ATOM 1307 N THR A 82 3.691 12.231 -3.881 1.00 0.00 N ATOM 1308 CA THR A 82 2.736 11.609 -4.826 1.00 0.00 C ATOM 1309 C THR A 82 2.883 10.058 -4.837 1.00 0.00 C ATOM 1310 O THR A 82 3.355 9.479 -5.826 1.00 0.00 O ATOM 1311 CB THR A 82 2.890 12.190 -6.288 1.00 0.00 C ATOM 1312 OG1 THR A 82 4.281 12.226 -6.654 1.00 0.00 O ATOM 1313 CG2 THR A 82 2.283 13.599 -6.450 1.00 0.00 C ATOM 0 H THR A 82 4.614 11.797 -3.880 1.00 0.00 H new ATOM 0 HA THR A 82 1.735 11.858 -4.475 1.00 0.00 H new ATOM 0 HB THR A 82 2.335 11.524 -6.948 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.675 11.338 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.422 13.939 -7.476 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.218 13.565 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.779 14.290 -5.768 1.00 0.00 H new ATOM 1321 N PRO A 83 2.524 9.347 -3.716 1.00 0.00 N ATOM 1322 CA PRO A 83 2.379 7.874 -3.735 1.00 0.00 C ATOM 1323 C PRO A 83 1.022 7.440 -4.346 1.00 0.00 C ATOM 1324 O PRO A 83 -0.011 8.089 -4.124 1.00 0.00 O ATOM 1325 CB PRO A 83 2.470 7.497 -2.236 1.00 0.00 C ATOM 1326 CG PRO A 83 1.888 8.681 -1.527 1.00 0.00 C ATOM 1327 CD PRO A 83 2.303 9.890 -2.340 1.00 0.00 C ATOM 0 HA PRO A 83 3.132 7.380 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.910 6.587 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.501 7.317 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.802 8.605 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.262 8.749 -0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.530 10.658 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.209 10.346 -1.941 1.00 0.00 H new ATOM 1335 N TYR A 84 1.050 6.356 -5.128 1.00 0.00 N ATOM 1336 CA TYR A 84 -0.155 5.667 -5.628 1.00 0.00 C ATOM 1337 C TYR A 84 -0.808 4.881 -4.479 1.00 0.00 C ATOM 1338 O TYR A 84 -0.248 4.807 -3.375 1.00 0.00 O ATOM 1339 CB TYR A 84 0.220 4.710 -6.794 1.00 0.00 C ATOM 1340 CG TYR A 84 0.786 5.418 -8.041 1.00 0.00 C ATOM 1341 CD1 TYR A 84 2.105 5.888 -8.072 1.00 0.00 C ATOM 1342 CD2 TYR A 84 0.001 5.622 -9.182 1.00 0.00 C ATOM 1343 CE1 TYR A 84 2.610 6.532 -9.186 1.00 0.00 C ATOM 1344 CE2 TYR A 84 0.507 6.264 -10.297 1.00 0.00 C ATOM 1345 CZ TYR A 84 1.809 6.716 -10.294 1.00 0.00 C ATOM 1346 OH TYR A 84 2.315 7.353 -11.408 1.00 0.00 O ATOM 0 H TYR A 84 1.920 5.923 -5.438 1.00 0.00 H new ATOM 0 HA TYR A 84 -0.863 6.405 -6.004 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.955 3.990 -6.435 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.666 4.144 -7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.739 5.745 -7.210 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.020 5.271 -9.191 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.629 6.890 -9.189 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.116 6.411 -11.167 1.00 0.00 H new ATOM 0 HH TYR A 84 1.623 7.401 -12.100 1.00 0.00 H new ATOM 1356 N TYR A 85 -1.983 4.292 -4.733 1.00 0.00 N ATOM 1357 CA TYR A 85 -2.687 3.492 -3.725 1.00 0.00 C ATOM 1358 C TYR A 85 -3.512 2.381 -4.392 1.00 0.00 C ATOM 1359 O TYR A 85 -4.123 2.593 -5.449 1.00 0.00 O ATOM 1360 CB TYR A 85 -3.553 4.391 -2.815 1.00 0.00 C ATOM 1361 CG TYR A 85 -4.661 5.196 -3.513 1.00 0.00 C ATOM 1362 CD1 TYR A 85 -4.379 6.409 -4.137 1.00 0.00 C ATOM 1363 CD2 TYR A 85 -5.986 4.750 -3.524 1.00 0.00 C ATOM 1364 CE1 TYR A 85 -5.370 7.141 -4.741 1.00 0.00 C ATOM 1365 CE2 TYR A 85 -6.977 5.485 -4.132 1.00 0.00 C ATOM 1366 CZ TYR A 85 -6.665 6.680 -4.737 1.00 0.00 C ATOM 1367 OH TYR A 85 -7.652 7.415 -5.346 1.00 0.00 O ATOM 0 H TYR A 85 -2.466 4.355 -5.629 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.947 3.008 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.014 3.764 -2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.895 5.090 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -3.364 6.779 -4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.235 3.813 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.133 8.080 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -7.995 5.125 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 85 -8.529 7.087 -5.057 1.00 0.00 H new ATOM 1377 N LEU A 86 -3.486 1.189 -3.772 1.00 0.00 N ATOM 1378 CA LEU A 86 -4.144 -0.013 -4.287 1.00 0.00 C ATOM 1379 C LEU A 86 -5.437 -0.276 -3.500 1.00 0.00 C ATOM 1380 O LEU A 86 -5.404 -0.541 -2.275 1.00 0.00 O ATOM 1381 CB LEU A 86 -3.170 -1.230 -4.204 1.00 0.00 C ATOM 1382 CG LEU A 86 -3.634 -2.615 -4.794 1.00 0.00 C ATOM 1383 CD1 LEU A 86 -4.507 -3.437 -3.820 1.00 0.00 C ATOM 1384 CD2 LEU A 86 -4.344 -2.427 -6.143 1.00 0.00 C ATOM 0 H LEU A 86 -3.000 1.036 -2.888 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.409 0.135 -5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.246 -0.949 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.924 -1.385 -3.153 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.726 -3.197 -4.951 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.791 -4.378 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.943 -3.642 -2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.405 -2.871 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.654 -3.398 -6.529 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.220 -1.793 -6.008 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.662 -1.956 -6.851 1.00 0.00 H new ATOM 1396 N GLU A 87 -6.557 -0.216 -4.227 1.00 0.00 N ATOM 1397 CA GLU A 87 -7.872 -0.620 -3.740 1.00 0.00 C ATOM 1398 C GLU A 87 -8.163 -2.059 -4.224 1.00 0.00 C ATOM 1399 O GLU A 87 -8.414 -2.288 -5.418 1.00 0.00 O ATOM 1400 CB GLU A 87 -8.950 0.378 -4.236 1.00 0.00 C ATOM 1401 CG GLU A 87 -8.733 1.837 -3.774 1.00 0.00 C ATOM 1402 CD GLU A 87 -9.888 2.781 -4.158 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -10.990 2.639 -3.581 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -9.710 3.645 -5.045 1.00 0.00 O ATOM 0 H GLU A 87 -6.571 0.122 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.892 -0.608 -2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.975 0.355 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.927 0.041 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.607 1.852 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.807 2.213 -4.208 1.00 0.00 H new ATOM 1411 N GLY A 88 -8.080 -3.012 -3.285 1.00 0.00 N ATOM 1412 CA GLY A 88 -8.308 -4.431 -3.562 1.00 0.00 C ATOM 1413 C GLY A 88 -8.072 -5.277 -2.319 1.00 0.00 C ATOM 1414 O GLY A 88 -7.331 -4.864 -1.428 1.00 0.00 O ATOM 0 H GLY A 88 -7.852 -2.816 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.329 -4.576 -3.916 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.644 -4.760 -4.361 1.00 0.00 H new ATOM 1418 N ASN A 89 -8.680 -6.470 -2.268 1.00 0.00 N ATOM 1419 CA ASN A 89 -8.643 -7.344 -1.075 1.00 0.00 C ATOM 1420 C ASN A 89 -7.296 -8.073 -0.966 1.00 0.00 C ATOM 1421 O ASN A 89 -6.860 -8.695 -1.935 1.00 0.00 O ATOM 1422 CB ASN A 89 -9.805 -8.357 -1.114 1.00 0.00 C ATOM 1423 CG ASN A 89 -11.176 -7.681 -1.031 1.00 0.00 C ATOM 1424 OD1 ASN A 89 -11.790 -7.350 -2.051 1.00 0.00 O ATOM 1425 ND2 ASN A 89 -11.661 -7.448 0.186 1.00 0.00 N ATOM 0 H ASN A 89 -9.211 -6.860 -3.047 1.00 0.00 H new ATOM 0 HA ASN A 89 -8.758 -6.716 -0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.745 -8.938 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.699 -9.059 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.563 -6.984 0.295 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.131 -7.733 1.009 1.00 0.00 H new ATOM 1432 N VAL A 90 -6.659 -8.007 0.231 1.00 0.00 N ATOM 1433 CA VAL A 90 -5.287 -8.528 0.454 1.00 0.00 C ATOM 1434 C VAL A 90 -5.195 -10.054 0.220 1.00 0.00 C ATOM 1435 O VAL A 90 -4.183 -10.552 -0.262 1.00 0.00 O ATOM 1436 CB VAL A 90 -4.720 -8.127 1.882 1.00 0.00 C ATOM 1437 CG1 VAL A 90 -5.504 -8.784 3.036 1.00 0.00 C ATOM 1438 CG2 VAL A 90 -3.207 -8.432 2.000 1.00 0.00 C ATOM 0 H VAL A 90 -7.079 -7.594 1.063 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.653 -8.049 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.858 -7.050 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.074 -8.476 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.548 -8.472 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.445 -9.869 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.854 -8.145 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.038 -9.498 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.662 -7.868 1.243 1.00 0.00 H new ATOM 1448 N TYR A 91 -6.294 -10.765 0.503 1.00 0.00 N ATOM 1449 CA TYR A 91 -6.383 -12.234 0.322 1.00 0.00 C ATOM 1450 C TYR A 91 -6.449 -12.585 -1.179 1.00 0.00 C ATOM 1451 O TYR A 91 -5.928 -13.615 -1.627 1.00 0.00 O ATOM 1452 CB TYR A 91 -7.640 -12.789 1.043 1.00 0.00 C ATOM 1453 CG TYR A 91 -7.750 -12.417 2.536 1.00 0.00 C ATOM 1454 CD1 TYR A 91 -8.164 -11.141 2.929 1.00 0.00 C ATOM 1455 CD2 TYR A 91 -7.443 -13.331 3.542 1.00 0.00 C ATOM 1456 CE1 TYR A 91 -8.264 -10.794 4.257 1.00 0.00 C ATOM 1457 CE2 TYR A 91 -7.546 -12.985 4.877 1.00 0.00 C ATOM 1458 CZ TYR A 91 -7.956 -11.719 5.227 1.00 0.00 C ATOM 1459 OH TYR A 91 -8.059 -11.375 6.551 1.00 0.00 O ATOM 0 H TYR A 91 -7.151 -10.345 0.864 1.00 0.00 H new ATOM 0 HA TYR A 91 -5.493 -12.689 0.756 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -8.528 -12.424 0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.642 -13.875 0.953 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.411 -10.410 2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.119 -14.326 3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.583 -9.801 4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.305 -13.707 5.643 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.188 -11.487 6.987 1.00 0.00 H new ATOM 1469 N ASP A 92 -7.091 -11.683 -1.937 1.00 0.00 N ATOM 1470 CA ASP A 92 -7.354 -11.853 -3.376 1.00 0.00 C ATOM 1471 C ASP A 92 -6.112 -11.584 -4.242 1.00 0.00 C ATOM 1472 O ASP A 92 -6.122 -11.909 -5.426 1.00 0.00 O ATOM 1473 CB ASP A 92 -8.549 -10.954 -3.818 1.00 0.00 C ATOM 1474 CG ASP A 92 -9.913 -11.512 -3.394 1.00 0.00 C ATOM 1475 OD1 ASP A 92 -10.194 -11.559 -2.184 1.00 0.00 O ATOM 1476 OD2 ASP A 92 -10.703 -11.931 -4.266 1.00 0.00 O ATOM 0 H ASP A 92 -7.447 -10.803 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.619 -12.898 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.423 -9.958 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.530 -10.843 -4.902 1.00 0.00 H new ATOM 1481 N PHE A 93 -5.047 -11.004 -3.658 1.00 0.00 N ATOM 1482 CA PHE A 93 -3.773 -10.775 -4.378 1.00 0.00 C ATOM 1483 C PHE A 93 -3.225 -12.099 -4.935 1.00 0.00 C ATOM 1484 O PHE A 93 -2.926 -12.219 -6.125 1.00 0.00 O ATOM 1485 CB PHE A 93 -2.692 -10.152 -3.450 1.00 0.00 C ATOM 1486 CG PHE A 93 -2.999 -8.778 -2.856 1.00 0.00 C ATOM 1487 CD1 PHE A 93 -4.109 -8.034 -3.237 1.00 0.00 C ATOM 1488 CD2 PHE A 93 -2.147 -8.221 -1.916 1.00 0.00 C ATOM 1489 CE1 PHE A 93 -4.356 -6.787 -2.708 1.00 0.00 C ATOM 1490 CE2 PHE A 93 -2.395 -6.980 -1.386 1.00 0.00 C ATOM 1491 CZ PHE A 93 -3.497 -6.258 -1.777 1.00 0.00 C ATOM 0 H PHE A 93 -5.040 -10.684 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.989 -10.081 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.511 -10.844 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.762 -10.078 -4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.794 -8.443 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.275 -8.772 -1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.223 -6.227 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.717 -6.566 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.686 -5.282 -1.355 1.00 0.00 H new ATOM 1501 N GLU A 94 -3.157 -13.095 -4.043 1.00 0.00 N ATOM 1502 CA GLU A 94 -2.495 -14.370 -4.317 1.00 0.00 C ATOM 1503 C GLU A 94 -3.258 -15.188 -5.387 1.00 0.00 C ATOM 1504 O GLU A 94 -2.636 -15.795 -6.266 1.00 0.00 O ATOM 1505 CB GLU A 94 -2.340 -15.182 -3.005 1.00 0.00 C ATOM 1506 CG GLU A 94 -1.280 -16.296 -3.092 1.00 0.00 C ATOM 1507 CD GLU A 94 -1.311 -17.306 -1.935 1.00 0.00 C ATOM 1508 OE1 GLU A 94 -2.418 -17.643 -1.444 1.00 0.00 O ATOM 1509 OE2 GLU A 94 -0.231 -17.783 -1.520 1.00 0.00 O ATOM 0 H GLU A 94 -3.562 -13.036 -3.109 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.504 -14.159 -4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.075 -14.502 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.301 -15.626 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.416 -16.835 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.292 -15.836 -3.128 1.00 0.00 H new ATOM 1516 N LYS A 95 -4.609 -15.175 -5.313 1.00 0.00 N ATOM 1517 CA LYS A 95 -5.468 -15.929 -6.262 1.00 0.00 C ATOM 1518 C LYS A 95 -5.499 -15.256 -7.657 1.00 0.00 C ATOM 1519 O LYS A 95 -5.744 -15.928 -8.665 1.00 0.00 O ATOM 1520 CB LYS A 95 -6.910 -16.113 -5.704 1.00 0.00 C ATOM 1521 CG LYS A 95 -7.693 -14.805 -5.482 1.00 0.00 C ATOM 1522 CD LYS A 95 -9.150 -14.998 -4.970 1.00 0.00 C ATOM 1523 CE LYS A 95 -9.253 -15.586 -3.545 1.00 0.00 C ATOM 1524 NZ LYS A 95 -9.031 -17.058 -3.503 1.00 0.00 N ATOM 0 H LYS A 95 -5.129 -14.652 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.026 -16.919 -6.378 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.472 -16.743 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.851 -16.649 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.149 -14.189 -4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.723 -14.251 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.660 -14.035 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.681 -15.654 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -8.522 -15.096 -2.902 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.238 -15.361 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -9.772 -17.505 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -9.065 -17.442 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -8.100 -17.257 -3.084 1.00 0.00 H new ATOM 1538 N TYR A 96 -5.262 -13.923 -7.699 1.00 0.00 N ATOM 1539 CA TYR A 96 -5.068 -13.175 -8.967 1.00 0.00 C ATOM 1540 C TYR A 96 -3.705 -13.547 -9.597 1.00 0.00 C ATOM 1541 O TYR A 96 -3.555 -13.534 -10.823 1.00 0.00 O ATOM 1542 CB TYR A 96 -5.174 -11.633 -8.730 1.00 0.00 C ATOM 1543 CG TYR A 96 -6.614 -11.064 -8.687 1.00 0.00 C ATOM 1544 CD1 TYR A 96 -7.639 -11.706 -7.984 1.00 0.00 C ATOM 1545 CD2 TYR A 96 -6.942 -9.879 -9.358 1.00 0.00 C ATOM 1546 CE1 TYR A 96 -8.922 -11.189 -7.950 1.00 0.00 C ATOM 1547 CE2 TYR A 96 -8.226 -9.365 -9.322 1.00 0.00 C ATOM 1548 CZ TYR A 96 -9.208 -10.021 -8.619 1.00 0.00 C ATOM 1549 OH TYR A 96 -10.488 -9.502 -8.581 1.00 0.00 O ATOM 0 H TYR A 96 -5.200 -13.340 -6.864 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.860 -13.456 -9.661 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.678 -11.392 -7.789 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.623 -11.123 -9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.425 -12.624 -7.457 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.178 -9.356 -9.914 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.697 -11.701 -7.400 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.456 -8.449 -9.846 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.521 -8.674 -9.104 1.00 0.00 H new ATOM 1559 N GLY A 97 -2.722 -13.874 -8.736 1.00 0.00 N ATOM 1560 CA GLY A 97 -1.414 -14.385 -9.179 1.00 0.00 C ATOM 1561 C GLY A 97 -0.238 -13.530 -8.729 1.00 0.00 C ATOM 1562 O GLY A 97 0.824 -13.548 -9.366 1.00 0.00 O ATOM 0 H GLY A 97 -2.812 -13.792 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.282 -15.398 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.409 -14.450 -10.267 1.00 0.00 H new ATOM 1566 N PHE A 98 -0.424 -12.776 -7.636 1.00 0.00 N ATOM 1567 CA PHE A 98 0.630 -11.926 -7.043 1.00 0.00 C ATOM 1568 C PHE A 98 1.284 -12.654 -5.861 1.00 0.00 C ATOM 1569 O PHE A 98 0.595 -13.331 -5.085 1.00 0.00 O ATOM 1570 CB PHE A 98 0.047 -10.565 -6.591 1.00 0.00 C ATOM 1571 CG PHE A 98 -0.565 -9.756 -7.736 1.00 0.00 C ATOM 1572 CD1 PHE A 98 0.247 -9.009 -8.593 1.00 0.00 C ATOM 1573 CD2 PHE A 98 -1.939 -9.751 -7.962 1.00 0.00 C ATOM 1574 CE1 PHE A 98 -0.300 -8.291 -9.636 1.00 0.00 C ATOM 1575 CE2 PHE A 98 -2.483 -9.032 -9.006 1.00 0.00 C ATOM 1576 CZ PHE A 98 -1.665 -8.303 -9.842 1.00 0.00 C ATOM 0 H PHE A 98 -1.311 -12.735 -7.134 1.00 0.00 H new ATOM 0 HA PHE A 98 1.390 -11.731 -7.800 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.715 -10.739 -5.831 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.837 -9.978 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.316 -8.994 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.588 -10.318 -7.311 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.340 -7.719 -10.292 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.551 -9.040 -9.168 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.092 -7.741 -10.659 1.00 0.00 H new ATOM 1586 N ARG A 99 2.617 -12.519 -5.758 1.00 0.00 N ATOM 1587 CA ARG A 99 3.425 -13.139 -4.695 1.00 0.00 C ATOM 1588 C ARG A 99 3.072 -12.542 -3.323 1.00 0.00 C ATOM 1589 O ARG A 99 3.113 -11.325 -3.132 1.00 0.00 O ATOM 1590 CB ARG A 99 4.936 -12.965 -5.023 1.00 0.00 C ATOM 1591 CG ARG A 99 5.928 -13.238 -3.864 1.00 0.00 C ATOM 1592 CD ARG A 99 5.865 -14.665 -3.304 1.00 0.00 C ATOM 1593 NE ARG A 99 6.732 -14.829 -2.124 1.00 0.00 N ATOM 1594 CZ ARG A 99 6.637 -15.824 -1.228 1.00 0.00 C ATOM 1595 NH1 ARG A 99 5.750 -16.803 -1.386 1.00 0.00 N ATOM 1596 NH2 ARG A 99 7.443 -15.840 -0.179 1.00 0.00 N ATOM 0 H ARG A 99 3.169 -11.971 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 99 3.202 -14.205 -4.648 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.185 -13.630 -5.850 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.094 -11.946 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.941 -13.042 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.728 -12.534 -3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.836 -14.905 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.166 -15.372 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 99 7.462 -14.132 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.131 -16.804 -2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.689 -17.552 -0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 99 8.132 -15.099 -0.054 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.375 -16.594 0.505 1.00 0.00 H new ATOM 1610 N MET A 100 2.740 -13.437 -2.384 1.00 0.00 N ATOM 1611 CA MET A 100 2.364 -13.098 -0.999 1.00 0.00 C ATOM 1612 C MET A 100 3.131 -13.975 -0.001 1.00 0.00 C ATOM 1613 O MET A 100 3.735 -14.976 -0.385 1.00 0.00 O ATOM 1614 CB MET A 100 0.840 -13.276 -0.768 1.00 0.00 C ATOM 1615 CG MET A 100 -0.063 -12.337 -1.581 1.00 0.00 C ATOM 1616 SD MET A 100 -1.710 -12.186 -0.864 1.00 0.00 S ATOM 1617 CE MET A 100 -1.319 -11.463 0.734 1.00 0.00 C ATOM 0 H MET A 100 2.724 -14.440 -2.567 1.00 0.00 H new ATOM 0 HA MET A 100 2.624 -12.051 -0.839 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.572 -14.306 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 100 0.630 -13.127 0.291 1.00 0.00 H new ATOM 0 HG2 MET A 100 0.398 -11.351 -1.638 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.146 -12.709 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 100 -2.237 -11.129 1.217 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.830 -12.209 1.361 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.652 -10.612 0.595 1.00 0.00 H new ATOM 1627 N VAL A 101 3.079 -13.588 1.284 1.00 0.00 N ATOM 1628 CA VAL A 101 3.708 -14.331 2.400 1.00 0.00 C ATOM 1629 C VAL A 101 2.635 -14.619 3.474 1.00 0.00 C ATOM 1630 O VAL A 101 1.755 -13.777 3.719 1.00 0.00 O ATOM 1631 CB VAL A 101 4.915 -13.531 3.035 1.00 0.00 C ATOM 1632 CG1 VAL A 101 5.657 -14.365 4.108 1.00 0.00 C ATOM 1633 CG2 VAL A 101 5.903 -13.041 1.953 1.00 0.00 C ATOM 0 H VAL A 101 2.595 -12.742 1.586 1.00 0.00 H new ATOM 0 HA VAL A 101 4.113 -15.265 2.010 1.00 0.00 H new ATOM 0 HB VAL A 101 4.488 -12.657 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.479 -13.780 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.964 -14.629 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.051 -15.274 3.654 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.719 -12.495 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.305 -13.898 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.383 -12.384 1.256 1.00 0.00 H new ATOM 1643 N TYR A 102 2.700 -15.828 4.073 1.00 0.00 N ATOM 1644 CA TYR A 102 1.746 -16.308 5.100 1.00 0.00 C ATOM 1645 C TYR A 102 2.521 -16.895 6.296 1.00 0.00 C ATOM 1646 O TYR A 102 3.729 -17.145 6.185 1.00 0.00 O ATOM 1647 CB TYR A 102 0.789 -17.378 4.499 1.00 0.00 C ATOM 1648 CG TYR A 102 -0.163 -16.826 3.421 1.00 0.00 C ATOM 1649 CD1 TYR A 102 0.295 -16.538 2.135 1.00 0.00 C ATOM 1650 CD2 TYR A 102 -1.503 -16.554 3.700 1.00 0.00 C ATOM 1651 CE1 TYR A 102 -0.535 -16.005 1.182 1.00 0.00 C ATOM 1652 CE2 TYR A 102 -2.337 -16.018 2.739 1.00 0.00 C ATOM 1653 CZ TYR A 102 -1.844 -15.746 1.484 1.00 0.00 C ATOM 1654 OH TYR A 102 -2.663 -15.196 0.526 1.00 0.00 O ATOM 0 H TYR A 102 3.427 -16.509 3.854 1.00 0.00 H new ATOM 0 HA TYR A 102 1.145 -15.466 5.443 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.384 -18.183 4.067 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.197 -17.815 5.303 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.326 -16.739 1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.894 -16.766 4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.156 -15.790 0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -3.372 -15.813 2.972 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.289 -14.341 0.228 1.00 0.00 H new