USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 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 44 HIS : no HD1:sc= -1.42! C(o=-2.2!,f=-5.2!) USER MOD Set 1.2: A 93 MET CE :methyl 165:sc= -0.735 (180deg=-0.804) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 93:sc= -1.13! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.1) USER MOD Single : A 29 ASN : amide:sc= 0.715 K(o=0.71,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -46:sc= -2.35! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-6.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000865 USER MOD Single : A 53 GLN :FLIP amide:sc= 0.277 F(o=-1.9,f=0.28) USER MOD Single : A 54 SER OG : rot -152:sc= -3.21! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 43:sc= 0.466 USER MOD Single : A 78 MET CE :methyl -156:sc= -0.66 (180deg=-2.29) USER MOD Single : A 80 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.011) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 149:sc= -0.016 USER MOD Single : A 89 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-5.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-5.5!) USER MOD Single : A 100 SER OG : rot -73:sc= 0.698 USER MOD Single : A 103 ASN : amide:sc= -0.216 X(o=-0.22,f=-0.0024) USER MOD Single : A 104 SER OG : rot -66:sc= 0.423 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 1.230 21.525 -1.986 1.00 0.00 N ATOM 2 CA GLY A -6 1.221 22.315 -0.769 1.00 0.00 C ATOM 3 C GLY A -6 2.575 22.925 -0.464 1.00 0.00 C ATOM 4 O GLY A -6 2.935 23.963 -1.020 1.00 0.00 O ATOM 0 H1 GLY A -6 0.282 21.130 -2.150 1.00 0.00 H new ATOM 0 H2 GLY A -6 1.498 22.128 -2.790 1.00 0.00 H new ATOM 0 H3 GLY A -6 1.917 20.750 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A -6 0.480 23.109 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A -6 0.913 21.686 0.066 1.00 0.00 H new ATOM 8 N SER A -5 3.327 22.281 0.422 1.00 0.00 N ATOM 9 CA SER A -5 4.647 22.770 0.804 1.00 0.00 C ATOM 10 C SER A -5 5.687 22.404 -0.251 1.00 0.00 C ATOM 11 O SER A -5 6.520 23.228 -0.628 1.00 0.00 O ATOM 12 CB SER A -5 5.055 22.193 2.161 1.00 0.00 C ATOM 13 OG SER A -5 4.157 22.600 3.179 1.00 0.00 O ATOM 0 H SER A -5 3.045 21.419 0.889 1.00 0.00 H new ATOM 0 HA SER A -5 4.598 23.856 0.880 1.00 0.00 H new ATOM 0 HB2 SER A -5 5.077 21.105 2.105 1.00 0.00 H new ATOM 0 HB3 SER A -5 6.064 22.520 2.410 1.00 0.00 H new ATOM 0 HG SER A -5 4.439 22.217 4.036 1.00 0.00 H new ATOM 19 N SER A -4 5.633 21.162 -0.721 1.00 0.00 N ATOM 20 CA SER A -4 6.572 20.685 -1.729 1.00 0.00 C ATOM 21 C SER A -4 5.847 19.900 -2.819 1.00 0.00 C ATOM 22 O SER A -4 5.038 19.020 -2.531 1.00 0.00 O ATOM 23 CB SER A -4 7.645 19.808 -1.082 1.00 0.00 C ATOM 24 OG SER A -4 8.685 20.597 -0.531 1.00 0.00 O ATOM 0 H SER A -4 4.949 20.468 -0.420 1.00 0.00 H new ATOM 0 HA SER A -4 7.048 21.553 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A -4 7.196 19.196 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A -4 8.057 19.125 -1.825 1.00 0.00 H new ATOM 0 HG SER A -4 9.357 20.013 -0.122 1.00 0.00 H new ATOM 30 N GLY A -3 6.145 20.228 -4.073 1.00 0.00 N ATOM 31 CA GLY A -3 5.514 19.545 -5.187 1.00 0.00 C ATOM 32 C GLY A -3 5.899 18.081 -5.264 1.00 0.00 C ATOM 33 O GLY A -3 6.219 17.463 -4.248 1.00 0.00 O ATOM 0 H GLY A -3 6.811 20.954 -4.337 1.00 0.00 H new ATOM 0 HA2 GLY A -3 4.431 19.628 -5.094 1.00 0.00 H new ATOM 0 HA3 GLY A -3 5.793 20.040 -6.117 1.00 0.00 H new ATOM 37 N SER A -2 5.866 17.524 -6.470 1.00 0.00 N ATOM 38 CA SER A -2 6.208 16.121 -6.674 1.00 0.00 C ATOM 39 C SER A -2 7.570 15.987 -7.348 1.00 0.00 C ATOM 40 O SER A -2 8.428 15.230 -6.893 1.00 0.00 O ATOM 41 CB SER A -2 5.137 15.431 -7.521 1.00 0.00 C ATOM 42 OG SER A -2 5.485 14.083 -7.784 1.00 0.00 O ATOM 0 H SER A -2 5.606 18.023 -7.321 1.00 0.00 H new ATOM 0 HA SER A -2 6.256 15.638 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A -2 4.179 15.468 -7.002 1.00 0.00 H new ATOM 0 HB3 SER A -2 5.011 15.968 -8.461 1.00 0.00 H new ATOM 0 HG SER A -2 4.784 13.664 -8.325 1.00 0.00 H new ATOM 48 N SER A -1 7.761 16.727 -8.435 1.00 0.00 N ATOM 49 CA SER A -1 9.017 16.689 -9.175 1.00 0.00 C ATOM 50 C SER A -1 10.209 16.776 -8.227 1.00 0.00 C ATOM 51 O SER A -1 10.284 17.672 -7.386 1.00 0.00 O ATOM 52 CB SER A -1 9.072 17.834 -10.188 1.00 0.00 C ATOM 53 OG SER A -1 8.312 17.529 -11.344 1.00 0.00 O ATOM 0 H SER A -1 7.062 17.360 -8.823 1.00 0.00 H new ATOM 0 HA SER A -1 9.067 15.739 -9.708 1.00 0.00 H new ATOM 0 HB2 SER A -1 8.692 18.747 -9.730 1.00 0.00 H new ATOM 0 HB3 SER A -1 10.107 18.025 -10.470 1.00 0.00 H new ATOM 0 HG SER A -1 8.362 18.277 -11.975 1.00 0.00 H new ATOM 59 N GLY A 0 11.140 15.837 -8.368 1.00 0.00 N ATOM 60 CA GLY A 0 12.317 15.825 -7.519 1.00 0.00 C ATOM 61 C GLY A 0 13.600 15.658 -8.308 1.00 0.00 C ATOM 62 O GLY A 0 14.114 16.618 -8.880 1.00 0.00 O ATOM 0 H GLY A 0 11.100 15.084 -9.055 1.00 0.00 H new ATOM 0 HA2 GLY A 0 12.361 16.755 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 0 12.231 15.014 -6.796 1.00 0.00 H new ATOM 66 N MET A 1 14.119 14.435 -8.337 1.00 0.00 N ATOM 67 CA MET A 1 15.352 14.146 -9.062 1.00 0.00 C ATOM 68 C MET A 1 15.200 14.471 -10.544 1.00 0.00 C ATOM 69 O MET A 1 14.823 13.613 -11.342 1.00 0.00 O ATOM 70 CB MET A 1 15.738 12.676 -8.887 1.00 0.00 C ATOM 71 CG MET A 1 17.215 12.403 -9.122 1.00 0.00 C ATOM 72 SD MET A 1 17.626 12.262 -10.872 1.00 0.00 S ATOM 73 CE MET A 1 17.817 10.488 -11.032 1.00 0.00 C ATOM 0 H MET A 1 13.706 13.629 -7.868 1.00 0.00 H new ATOM 0 HA MET A 1 16.142 14.774 -8.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.474 12.357 -7.879 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.151 12.070 -9.577 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.804 13.206 -8.678 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.496 11.482 -8.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.073 10.241 -12.062 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.611 10.146 -10.369 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.883 9.996 -10.763 1.00 0.00 H new ATOM 83 N MET A 2 15.495 15.715 -10.906 1.00 0.00 N ATOM 84 CA MET A 2 15.392 16.152 -12.293 1.00 0.00 C ATOM 85 C MET A 2 16.761 16.155 -12.965 1.00 0.00 C ATOM 86 O MET A 2 17.037 15.332 -13.839 1.00 0.00 O ATOM 87 CB MET A 2 14.773 17.549 -12.365 1.00 0.00 C ATOM 88 CG MET A 2 14.442 17.995 -13.780 1.00 0.00 C ATOM 89 SD MET A 2 12.985 17.169 -14.446 1.00 0.00 S ATOM 90 CE MET A 2 13.285 17.319 -16.206 1.00 0.00 C ATOM 0 H MET A 2 15.807 16.438 -10.258 1.00 0.00 H new ATOM 0 HA MET A 2 14.748 15.449 -12.822 1.00 0.00 H new ATOM 0 HB2 MET A 2 13.863 17.565 -11.765 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.462 18.266 -11.919 1.00 0.00 H new ATOM 0 HG2 MET A 2 14.279 19.073 -13.788 1.00 0.00 H new ATOM 0 HG3 MET A 2 15.295 17.796 -14.428 1.00 0.00 H new ATOM 0 HE1 MET A 2 12.467 16.853 -16.756 1.00 0.00 H new ATOM 0 HE2 MET A 2 13.350 18.373 -16.476 1.00 0.00 H new ATOM 0 HE3 MET A 2 14.221 16.822 -16.459 1.00 0.00 H new ATOM 100 N LEU A 3 17.616 17.086 -12.554 1.00 0.00 N ATOM 101 CA LEU A 3 18.957 17.196 -13.117 1.00 0.00 C ATOM 102 C LEU A 3 19.987 16.542 -12.202 1.00 0.00 C ATOM 103 O LEU A 3 21.137 16.975 -12.135 1.00 0.00 O ATOM 104 CB LEU A 3 19.318 18.665 -13.342 1.00 0.00 C ATOM 105 CG LEU A 3 18.440 19.427 -14.337 1.00 0.00 C ATOM 106 CD1 LEU A 3 18.476 20.919 -14.046 1.00 0.00 C ATOM 107 CD2 LEU A 3 18.888 19.149 -15.764 1.00 0.00 C ATOM 0 H LEU A 3 17.404 17.775 -11.833 1.00 0.00 H new ATOM 0 HA LEU A 3 18.966 16.675 -14.074 1.00 0.00 H new ATOM 0 HB2 LEU A 3 19.276 19.180 -12.382 1.00 0.00 H new ATOM 0 HB3 LEU A 3 20.351 18.716 -13.686 1.00 0.00 H new ATOM 0 HG LEU A 3 17.412 19.081 -14.226 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.846 21.445 -14.763 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.107 21.102 -13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 3 19.501 21.281 -14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.253 19.699 -16.458 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.923 19.467 -15.889 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.810 18.081 -15.968 1.00 0.00 H new ATOM 119 N GLY A 4 19.567 15.495 -11.499 1.00 0.00 N ATOM 120 CA GLY A 4 20.465 14.796 -10.598 1.00 0.00 C ATOM 121 C GLY A 4 20.760 15.591 -9.341 1.00 0.00 C ATOM 122 O GLY A 4 21.901 15.678 -8.889 1.00 0.00 O ATOM 0 H GLY A 4 18.620 15.118 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.025 13.837 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.400 14.581 -11.116 1.00 0.00 H new ATOM 126 N PRO A 5 19.712 16.190 -8.756 1.00 0.00 N ATOM 127 CA PRO A 5 19.838 16.993 -7.537 1.00 0.00 C ATOM 128 C PRO A 5 20.160 16.142 -6.313 1.00 0.00 C ATOM 129 O PRO A 5 20.576 14.991 -6.439 1.00 0.00 O ATOM 130 CB PRO A 5 18.458 17.638 -7.392 1.00 0.00 C ATOM 131 CG PRO A 5 17.531 16.714 -8.103 1.00 0.00 C ATOM 132 CD PRO A 5 18.322 16.129 -9.241 1.00 0.00 C ATOM 0 HA PRO A 5 20.654 17.712 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.181 17.748 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 5 18.439 18.635 -7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.171 15.932 -7.435 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.654 17.247 -8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.017 15.105 -9.459 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.191 16.703 -10.159 1.00 0.00 H new ATOM 140 N GLU A 6 19.963 16.717 -5.130 1.00 0.00 N ATOM 141 CA GLU A 6 20.233 16.009 -3.884 1.00 0.00 C ATOM 142 C GLU A 6 19.398 14.735 -3.790 1.00 0.00 C ATOM 143 O GLU A 6 19.773 13.783 -3.107 1.00 0.00 O ATOM 144 CB GLU A 6 19.941 16.913 -2.685 1.00 0.00 C ATOM 145 CG GLU A 6 20.989 17.990 -2.465 1.00 0.00 C ATOM 146 CD GLU A 6 20.530 19.063 -1.496 1.00 0.00 C ATOM 147 OE1 GLU A 6 20.538 18.803 -0.275 1.00 0.00 O ATOM 148 OE2 GLU A 6 20.162 20.162 -1.960 1.00 0.00 O ATOM 0 H GLU A 6 19.618 17.669 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 6 21.287 15.733 -3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 6 18.970 17.387 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.869 16.299 -1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 6 21.902 17.531 -2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 6 21.237 18.451 -3.421 1.00 0.00 H new ATOM 155 N GLY A 7 18.262 14.726 -4.481 1.00 0.00 N ATOM 156 CA GLY A 7 17.391 13.566 -4.462 1.00 0.00 C ATOM 157 C GLY A 7 16.938 13.204 -3.061 1.00 0.00 C ATOM 158 O GLY A 7 16.615 14.080 -2.260 1.00 0.00 O ATOM 0 H GLY A 7 17.930 15.502 -5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.517 13.761 -5.084 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.913 12.716 -4.903 1.00 0.00 H new ATOM 162 N GLY A 8 16.912 11.908 -2.765 1.00 0.00 N ATOM 163 CA GLY A 8 16.492 11.455 -1.452 1.00 0.00 C ATOM 164 C GLY A 8 15.614 10.221 -1.518 1.00 0.00 C ATOM 165 O GLY A 8 15.522 9.465 -0.552 1.00 0.00 O ATOM 0 H GLY A 8 17.174 11.164 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.372 11.239 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.950 12.257 -0.951 1.00 0.00 H new ATOM 169 N GLU A 9 14.965 10.019 -2.661 1.00 0.00 N ATOM 170 CA GLU A 9 14.087 8.870 -2.847 1.00 0.00 C ATOM 171 C GLU A 9 14.768 7.585 -2.384 1.00 0.00 C ATOM 172 O GLU A 9 15.952 7.582 -2.051 1.00 0.00 O ATOM 173 CB GLU A 9 13.679 8.743 -4.316 1.00 0.00 C ATOM 174 CG GLU A 9 14.856 8.754 -5.277 1.00 0.00 C ATOM 175 CD GLU A 9 15.646 7.460 -5.247 1.00 0.00 C ATOM 176 OE1 GLU A 9 15.066 6.419 -4.874 1.00 0.00 O ATOM 177 OE2 GLU A 9 16.845 7.489 -5.596 1.00 0.00 O ATOM 0 H GLU A 9 15.031 10.636 -3.471 1.00 0.00 H new ATOM 0 HA GLU A 9 13.194 9.026 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.120 7.817 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.006 9.562 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 9 14.492 8.930 -6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.516 9.584 -5.027 1.00 0.00 H new ATOM 184 N GLY A 10 14.009 6.493 -2.367 1.00 0.00 N ATOM 185 CA GLY A 10 14.555 5.217 -1.943 1.00 0.00 C ATOM 186 C GLY A 10 13.780 4.040 -2.502 1.00 0.00 C ATOM 187 O GLY A 10 12.779 4.221 -3.195 1.00 0.00 O ATOM 0 H GLY A 10 13.026 6.470 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.595 5.147 -2.261 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.550 5.167 -0.854 1.00 0.00 H new ATOM 191 N TYR A 11 14.244 2.832 -2.202 1.00 0.00 N ATOM 192 CA TYR A 11 13.589 1.621 -2.683 1.00 0.00 C ATOM 193 C TYR A 11 12.185 1.493 -2.100 1.00 0.00 C ATOM 194 O TYR A 11 12.010 1.397 -0.885 1.00 0.00 O ATOM 195 CB TYR A 11 14.419 0.389 -2.318 1.00 0.00 C ATOM 196 CG TYR A 11 15.845 0.449 -2.819 1.00 0.00 C ATOM 197 CD1 TYR A 11 16.124 0.462 -4.180 1.00 0.00 C ATOM 198 CD2 TYR A 11 16.913 0.492 -1.931 1.00 0.00 C ATOM 199 CE1 TYR A 11 17.425 0.517 -4.642 1.00 0.00 C ATOM 200 CE2 TYR A 11 18.216 0.548 -2.383 1.00 0.00 C ATOM 201 CZ TYR A 11 18.467 0.560 -3.740 1.00 0.00 C ATOM 202 OH TYR A 11 19.765 0.615 -4.195 1.00 0.00 O ATOM 0 H TYR A 11 15.071 2.665 -1.628 1.00 0.00 H new ATOM 0 HA TYR A 11 13.507 1.688 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 11 14.428 0.276 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.936 -0.498 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.310 0.429 -4.889 1.00 0.00 H new ATOM 0 HD2 TYR A 11 16.720 0.481 -0.868 1.00 0.00 H new ATOM 0 HE1 TYR A 11 17.625 0.526 -5.703 1.00 0.00 H new ATOM 0 HE2 TYR A 11 19.034 0.582 -1.679 1.00 0.00 H new ATOM 0 HH TYR A 11 20.379 0.641 -3.431 1.00 0.00 H new ATOM 212 N VAL A 12 11.186 1.491 -2.977 1.00 0.00 N ATOM 213 CA VAL A 12 9.796 1.373 -2.552 1.00 0.00 C ATOM 214 C VAL A 12 8.978 0.577 -3.563 1.00 0.00 C ATOM 215 O VAL A 12 9.333 0.497 -4.739 1.00 0.00 O ATOM 216 CB VAL A 12 9.148 2.757 -2.360 1.00 0.00 C ATOM 217 CG1 VAL A 12 7.676 2.613 -2.007 1.00 0.00 C ATOM 218 CG2 VAL A 12 9.887 3.547 -1.289 1.00 0.00 C ATOM 0 H VAL A 12 11.313 1.570 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 12 9.801 0.847 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 12 9.220 3.306 -3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.235 3.601 -1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.159 2.089 -2.811 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.578 2.045 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.416 4.522 -1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.848 3.004 -0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 12 10.927 3.681 -1.588 1.00 0.00 H new ATOM 228 N VAL A 13 7.881 -0.010 -3.097 1.00 0.00 N ATOM 229 CA VAL A 13 7.010 -0.799 -3.960 1.00 0.00 C ATOM 230 C VAL A 13 5.542 -0.548 -3.637 1.00 0.00 C ATOM 231 O VAL A 13 5.173 -0.356 -2.478 1.00 0.00 O ATOM 232 CB VAL A 13 7.303 -2.305 -3.827 1.00 0.00 C ATOM 233 CG1 VAL A 13 8.676 -2.635 -4.393 1.00 0.00 C ATOM 234 CG2 VAL A 13 7.198 -2.742 -2.373 1.00 0.00 C ATOM 0 H VAL A 13 7.574 0.046 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 13 7.212 -0.486 -4.984 1.00 0.00 H new ATOM 0 HB VAL A 13 6.558 -2.854 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.865 -3.704 -4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.711 -2.360 -5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.438 -2.078 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.408 -3.809 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.919 -2.187 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.191 -2.544 -2.005 1.00 0.00 H new ATOM 244 N LYS A 14 4.706 -0.551 -4.670 1.00 0.00 N ATOM 245 CA LYS A 14 3.275 -0.325 -4.498 1.00 0.00 C ATOM 246 C LYS A 14 2.490 -1.613 -4.726 1.00 0.00 C ATOM 247 O LYS A 14 2.671 -2.291 -5.738 1.00 0.00 O ATOM 248 CB LYS A 14 2.790 0.759 -5.462 1.00 0.00 C ATOM 249 CG LYS A 14 1.293 0.719 -5.718 1.00 0.00 C ATOM 250 CD LYS A 14 0.899 1.636 -6.864 1.00 0.00 C ATOM 251 CE LYS A 14 0.638 3.054 -6.378 1.00 0.00 C ATOM 252 NZ LYS A 14 -0.175 3.833 -7.352 1.00 0.00 N ATOM 0 H LYS A 14 4.995 -0.708 -5.636 1.00 0.00 H new ATOM 0 HA LYS A 14 3.105 0.007 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.055 1.737 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.316 0.651 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.989 -0.302 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.760 1.015 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.692 1.647 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.005 1.247 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.121 3.020 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.588 3.561 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.331 4.793 -6.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.329 3.887 -8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.092 3.363 -7.493 1.00 0.00 H new ATOM 266 N LEU A 15 1.618 -1.944 -3.780 1.00 0.00 N ATOM 267 CA LEU A 15 0.803 -3.150 -3.879 1.00 0.00 C ATOM 268 C LEU A 15 -0.648 -2.802 -4.198 1.00 0.00 C ATOM 269 O LEU A 15 -1.375 -2.290 -3.347 1.00 0.00 O ATOM 270 CB LEU A 15 0.874 -3.945 -2.575 1.00 0.00 C ATOM 271 CG LEU A 15 2.221 -4.594 -2.257 1.00 0.00 C ATOM 272 CD1 LEU A 15 2.184 -5.260 -0.890 1.00 0.00 C ATOM 273 CD2 LEU A 15 2.595 -5.603 -3.333 1.00 0.00 C ATOM 0 H LEU A 15 1.457 -1.394 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 15 1.198 -3.760 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.611 -3.280 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.115 -4.727 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 15 2.982 -3.814 -2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.152 -5.716 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.963 -4.513 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.411 -6.028 -0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.557 -6.055 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.832 -6.380 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.665 -5.098 -4.297 1.00 0.00 H new ATOM 285 N ARG A 16 -1.062 -3.086 -5.428 1.00 0.00 N ATOM 286 CA ARG A 16 -2.426 -2.804 -5.859 1.00 0.00 C ATOM 287 C ARG A 16 -3.234 -4.093 -5.982 1.00 0.00 C ATOM 288 O ARG A 16 -2.733 -5.109 -6.461 1.00 0.00 O ATOM 289 CB ARG A 16 -2.419 -2.065 -7.198 1.00 0.00 C ATOM 290 CG ARG A 16 -3.598 -1.124 -7.381 1.00 0.00 C ATOM 291 CD ARG A 16 -4.776 -1.828 -8.037 1.00 0.00 C ATOM 292 NE ARG A 16 -6.031 -1.115 -7.817 1.00 0.00 N ATOM 293 CZ ARG A 16 -7.228 -1.657 -8.013 1.00 0.00 C ATOM 294 NH1 ARG A 16 -7.332 -2.911 -8.431 1.00 0.00 N ATOM 295 NH2 ARG A 16 -8.325 -0.944 -7.791 1.00 0.00 N ATOM 0 H ARG A 16 -0.473 -3.511 -6.144 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.895 -2.171 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.494 -1.495 -7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.420 -2.796 -8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.903 -0.728 -6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.295 -0.274 -7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.594 -1.919 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.860 -2.840 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.986 -0.148 -7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.491 -3.463 -8.603 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.253 -3.324 -8.580 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.250 0.021 -7.470 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.244 -1.361 -7.942 1.00 0.00 H new ATOM 309 N GLY A 17 -4.489 -4.043 -5.545 1.00 0.00 N ATOM 310 CA GLY A 17 -5.346 -5.212 -5.614 1.00 0.00 C ATOM 311 C GLY A 17 -5.491 -5.905 -4.274 1.00 0.00 C ATOM 312 O GLY A 17 -5.871 -7.075 -4.210 1.00 0.00 O ATOM 0 H GLY A 17 -4.927 -3.214 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.331 -4.916 -5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.939 -5.915 -6.341 1.00 0.00 H new ATOM 316 N LEU A 18 -5.185 -5.184 -3.201 1.00 0.00 N ATOM 317 CA LEU A 18 -5.280 -5.738 -1.855 1.00 0.00 C ATOM 318 C LEU A 18 -6.724 -5.727 -1.363 1.00 0.00 C ATOM 319 O LEU A 18 -7.524 -4.865 -1.729 1.00 0.00 O ATOM 320 CB LEU A 18 -4.395 -4.945 -0.892 1.00 0.00 C ATOM 321 CG LEU A 18 -2.898 -4.941 -1.205 1.00 0.00 C ATOM 322 CD1 LEU A 18 -2.206 -3.794 -0.485 1.00 0.00 C ATOM 323 CD2 LEU A 18 -2.270 -6.272 -0.820 1.00 0.00 C ATOM 0 H LEU A 18 -4.869 -4.215 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.934 -6.771 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.745 -3.913 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.535 -5.346 0.112 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.770 -4.799 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.142 -3.807 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.638 -2.847 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.342 -3.905 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.205 -6.252 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.408 -6.444 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.747 -7.075 -1.382 1.00 0.00 H new ATOM 335 N PRO A 19 -7.067 -6.705 -0.512 1.00 0.00 N ATOM 336 CA PRO A 19 -8.415 -6.828 0.051 1.00 0.00 C ATOM 337 C PRO A 19 -8.731 -5.717 1.047 1.00 0.00 C ATOM 338 O PRO A 19 -7.827 -5.106 1.617 1.00 0.00 O ATOM 339 CB PRO A 19 -8.382 -8.185 0.758 1.00 0.00 C ATOM 340 CG PRO A 19 -6.945 -8.409 1.081 1.00 0.00 C ATOM 341 CD PRO A 19 -6.165 -7.766 -0.032 1.00 0.00 C ATOM 0 HA PRO A 19 -9.185 -6.750 -0.716 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.994 -8.176 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.771 -8.975 0.116 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.688 -7.967 2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.722 -9.474 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.219 -7.358 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.928 -8.480 -0.821 1.00 0.00 H new ATOM 349 N TRP A 20 -10.018 -5.460 1.250 1.00 0.00 N ATOM 350 CA TRP A 20 -10.453 -4.422 2.178 1.00 0.00 C ATOM 351 C TRP A 20 -10.108 -4.796 3.615 1.00 0.00 C ATOM 352 O TRP A 20 -10.319 -4.011 4.539 1.00 0.00 O ATOM 353 CB TRP A 20 -11.959 -4.190 2.046 1.00 0.00 C ATOM 354 CG TRP A 20 -12.317 -3.206 0.973 1.00 0.00 C ATOM 355 CD1 TRP A 20 -11.639 -2.980 -0.190 1.00 0.00 C ATOM 356 CD2 TRP A 20 -13.437 -2.315 0.967 1.00 0.00 C ATOM 357 NE1 TRP A 20 -12.270 -2.002 -0.920 1.00 0.00 N ATOM 358 CE2 TRP A 20 -13.376 -1.578 -0.233 1.00 0.00 C ATOM 359 CE3 TRP A 20 -14.487 -2.069 1.856 1.00 0.00 C ATOM 360 CZ2 TRP A 20 -14.325 -0.613 -0.562 1.00 0.00 C ATOM 361 CZ3 TRP A 20 -15.427 -1.110 1.528 1.00 0.00 C ATOM 362 CH2 TRP A 20 -15.341 -0.393 0.327 1.00 0.00 C ATOM 0 H TRP A 20 -10.778 -5.956 0.785 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.927 -3.501 1.926 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -12.449 -5.141 1.835 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -12.350 -3.835 3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.739 -3.494 -0.492 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -11.964 -1.649 -1.827 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -14.563 -2.618 2.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -14.261 -0.058 -1.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -16.241 -0.910 2.209 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -16.092 0.348 0.099 1.00 0.00 H new ATOM 373 N SER A 21 -9.575 -6.001 3.797 1.00 0.00 N ATOM 374 CA SER A 21 -9.204 -6.480 5.123 1.00 0.00 C ATOM 375 C SER A 21 -7.701 -6.726 5.210 1.00 0.00 C ATOM 376 O SER A 21 -7.223 -7.400 6.124 1.00 0.00 O ATOM 377 CB SER A 21 -9.963 -7.767 5.454 1.00 0.00 C ATOM 378 OG SER A 21 -10.169 -7.892 6.850 1.00 0.00 O ATOM 0 H SER A 21 -9.391 -6.663 3.043 1.00 0.00 H new ATOM 0 HA SER A 21 -9.472 -5.712 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.924 -7.769 4.940 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.404 -8.628 5.087 1.00 0.00 H new ATOM 0 HG SER A 21 -10.657 -8.721 7.036 1.00 0.00 H new ATOM 384 N CYS A 22 -6.961 -6.176 4.254 1.00 0.00 N ATOM 385 CA CYS A 22 -5.511 -6.335 4.221 1.00 0.00 C ATOM 386 C CYS A 22 -4.856 -5.590 5.379 1.00 0.00 C ATOM 387 O CYS A 22 -5.207 -4.447 5.673 1.00 0.00 O ATOM 388 CB CYS A 22 -4.952 -5.829 2.891 1.00 0.00 C ATOM 389 SG CYS A 22 -3.237 -6.312 2.580 1.00 0.00 S ATOM 0 H CYS A 22 -7.341 -5.616 3.491 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.284 -7.396 4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.577 -6.204 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.022 -4.741 2.870 1.00 0.00 H new ATOM 0 HG CYS A 22 -3.215 -7.423 1.906 1.00 0.00 H new ATOM 395 N SER A 23 -3.903 -6.245 6.034 1.00 0.00 N ATOM 396 CA SER A 23 -3.202 -5.647 7.165 1.00 0.00 C ATOM 397 C SER A 23 -1.692 -5.703 6.958 1.00 0.00 C ATOM 398 O SER A 23 -1.183 -6.573 6.251 1.00 0.00 O ATOM 399 CB SER A 23 -3.578 -6.364 8.463 1.00 0.00 C ATOM 400 OG SER A 23 -4.829 -5.910 8.952 1.00 0.00 O ATOM 0 H SER A 23 -3.598 -7.190 5.801 1.00 0.00 H new ATOM 0 HA SER A 23 -3.503 -4.602 7.236 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.620 -7.439 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.806 -6.193 9.214 1.00 0.00 H new ATOM 0 HG SER A 23 -5.048 -6.384 9.781 1.00 0.00 H new ATOM 406 N ILE A 24 -0.981 -4.770 7.581 1.00 0.00 N ATOM 407 CA ILE A 24 0.471 -4.713 7.468 1.00 0.00 C ATOM 408 C ILE A 24 1.076 -6.113 7.447 1.00 0.00 C ATOM 409 O ILE A 24 1.959 -6.406 6.642 1.00 0.00 O ATOM 410 CB ILE A 24 1.096 -3.913 8.626 1.00 0.00 C ATOM 411 CG1 ILE A 24 0.774 -2.424 8.478 1.00 0.00 C ATOM 412 CG2 ILE A 24 2.601 -4.132 8.670 1.00 0.00 C ATOM 413 CD1 ILE A 24 1.406 -1.560 9.547 1.00 0.00 C ATOM 0 H ILE A 24 -1.387 -4.043 8.170 1.00 0.00 H new ATOM 0 HA ILE A 24 0.694 -4.209 6.528 1.00 0.00 H new ATOM 0 HB ILE A 24 0.669 -4.267 9.564 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.112 -2.083 7.500 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.307 -2.290 8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.028 -3.560 9.494 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.810 -5.192 8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.044 -3.802 7.731 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.135 -0.518 9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.049 -1.875 10.527 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.490 -1.664 9.505 1.00 0.00 H new ATOM 425 N GLU A 25 0.593 -6.973 8.338 1.00 0.00 N ATOM 426 CA GLU A 25 1.086 -8.343 8.421 1.00 0.00 C ATOM 427 C GLU A 25 1.039 -9.022 7.055 1.00 0.00 C ATOM 428 O GLU A 25 2.058 -9.491 6.548 1.00 0.00 O ATOM 429 CB GLU A 25 0.261 -9.145 9.430 1.00 0.00 C ATOM 430 CG GLU A 25 0.627 -8.862 10.877 1.00 0.00 C ATOM 431 CD GLU A 25 -0.460 -9.284 11.847 1.00 0.00 C ATOM 432 OE1 GLU A 25 -0.484 -10.472 12.231 1.00 0.00 O ATOM 433 OE2 GLU A 25 -1.285 -8.426 12.222 1.00 0.00 O ATOM 0 H GLU A 25 -0.138 -6.746 9.012 1.00 0.00 H new ATOM 0 HA GLU A 25 2.123 -8.309 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.796 -8.923 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.394 -10.209 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.551 -9.385 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.822 -7.796 10.997 1.00 0.00 H new ATOM 440 N ASP A 26 -0.151 -9.071 6.466 1.00 0.00 N ATOM 441 CA ASP A 26 -0.332 -9.692 5.159 1.00 0.00 C ATOM 442 C ASP A 26 0.722 -9.199 4.173 1.00 0.00 C ATOM 443 O ASP A 26 1.227 -9.966 3.352 1.00 0.00 O ATOM 444 CB ASP A 26 -1.732 -9.394 4.619 1.00 0.00 C ATOM 445 CG ASP A 26 -2.752 -10.428 5.055 1.00 0.00 C ATOM 446 OD1 ASP A 26 -2.617 -11.601 4.651 1.00 0.00 O ATOM 447 OD2 ASP A 26 -3.686 -10.063 5.799 1.00 0.00 O ATOM 0 H ASP A 26 -1.004 -8.688 6.873 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.218 -10.770 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.048 -8.409 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.698 -9.357 3.530 1.00 0.00 H new ATOM 452 N VAL A 27 1.050 -7.913 4.257 1.00 0.00 N ATOM 453 CA VAL A 27 2.044 -7.318 3.373 1.00 0.00 C ATOM 454 C VAL A 27 3.446 -7.813 3.709 1.00 0.00 C ATOM 455 O VAL A 27 4.165 -8.307 2.841 1.00 0.00 O ATOM 456 CB VAL A 27 2.021 -5.780 3.457 1.00 0.00 C ATOM 457 CG1 VAL A 27 2.974 -5.175 2.438 1.00 0.00 C ATOM 458 CG2 VAL A 27 0.607 -5.257 3.252 1.00 0.00 C ATOM 0 H VAL A 27 0.641 -7.264 4.929 1.00 0.00 H new ATOM 0 HA VAL A 27 1.788 -7.623 2.359 1.00 0.00 H new ATOM 0 HB VAL A 27 2.354 -5.483 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.944 -4.088 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.987 -5.524 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.675 -5.478 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.609 -4.169 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.244 -5.563 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.047 -5.664 4.024 1.00 0.00 H new ATOM 468 N GLN A 28 3.828 -7.677 4.975 1.00 0.00 N ATOM 469 CA GLN A 28 5.145 -8.111 5.426 1.00 0.00 C ATOM 470 C GLN A 28 5.432 -9.539 4.973 1.00 0.00 C ATOM 471 O GLN A 28 6.500 -9.827 4.435 1.00 0.00 O ATOM 472 CB GLN A 28 5.242 -8.017 6.950 1.00 0.00 C ATOM 473 CG GLN A 28 5.426 -6.598 7.461 1.00 0.00 C ATOM 474 CD GLN A 28 5.591 -6.536 8.967 1.00 0.00 C ATOM 475 OE1 GLN A 28 4.649 -6.797 9.717 1.00 0.00 O ATOM 476 NE2 GLN A 28 6.791 -6.192 9.418 1.00 0.00 N ATOM 0 H GLN A 28 3.245 -7.270 5.706 1.00 0.00 H new ATOM 0 HA GLN A 28 5.890 -7.451 4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.338 -8.438 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.077 -8.628 7.291 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.301 -6.155 6.985 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.565 -5.996 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.543 -5.984 8.761 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.962 -6.135 10.422 1.00 0.00 H new ATOM 485 N ASN A 29 4.471 -10.430 5.196 1.00 0.00 N ATOM 486 CA ASN A 29 4.621 -11.829 4.812 1.00 0.00 C ATOM 487 C ASN A 29 4.535 -11.989 3.297 1.00 0.00 C ATOM 488 O ASN A 29 5.233 -12.815 2.709 1.00 0.00 O ATOM 489 CB ASN A 29 3.548 -12.683 5.488 1.00 0.00 C ATOM 490 CG ASN A 29 3.787 -12.840 6.978 1.00 0.00 C ATOM 491 OD1 ASN A 29 4.335 -13.847 7.427 1.00 0.00 O ATOM 492 ND2 ASN A 29 3.376 -11.842 7.751 1.00 0.00 N ATOM 0 H ASN A 29 3.580 -10.208 5.641 1.00 0.00 H new ATOM 0 HA ASN A 29 5.604 -12.167 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.571 -12.229 5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.524 -13.668 5.021 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.510 -11.891 8.761 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.926 -11.026 7.335 1.00 0.00 H new ATOM 499 N PHE A 30 3.675 -11.192 2.671 1.00 0.00 N ATOM 500 CA PHE A 30 3.497 -11.246 1.225 1.00 0.00 C ATOM 501 C PHE A 30 4.803 -10.924 0.504 1.00 0.00 C ATOM 502 O PHE A 30 5.132 -11.539 -0.512 1.00 0.00 O ATOM 503 CB PHE A 30 2.405 -10.266 0.788 1.00 0.00 C ATOM 504 CG PHE A 30 2.199 -10.223 -0.699 1.00 0.00 C ATOM 505 CD1 PHE A 30 3.137 -9.625 -1.525 1.00 0.00 C ATOM 506 CD2 PHE A 30 1.068 -10.782 -1.271 1.00 0.00 C ATOM 507 CE1 PHE A 30 2.949 -9.583 -2.894 1.00 0.00 C ATOM 508 CE2 PHE A 30 0.874 -10.744 -2.639 1.00 0.00 C ATOM 509 CZ PHE A 30 1.817 -10.145 -3.452 1.00 0.00 C ATOM 0 H PHE A 30 3.091 -10.501 3.142 1.00 0.00 H new ATOM 0 HA PHE A 30 3.195 -12.259 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.467 -10.542 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.662 -9.267 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.025 -9.187 -1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.329 -11.253 -0.640 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.686 -9.111 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.013 -11.182 -3.072 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.669 -10.116 -4.521 1.00 0.00 H new ATOM 519 N LEU A 31 5.542 -9.958 1.036 1.00 0.00 N ATOM 520 CA LEU A 31 6.813 -9.553 0.443 1.00 0.00 C ATOM 521 C LEU A 31 7.987 -10.063 1.273 1.00 0.00 C ATOM 522 O LEU A 31 8.965 -9.348 1.487 1.00 0.00 O ATOM 523 CB LEU A 31 6.881 -8.029 0.325 1.00 0.00 C ATOM 524 CG LEU A 31 5.754 -7.367 -0.469 1.00 0.00 C ATOM 525 CD1 LEU A 31 5.848 -5.852 -0.366 1.00 0.00 C ATOM 526 CD2 LEU A 31 5.797 -7.809 -1.924 1.00 0.00 C ATOM 0 H LEU A 31 5.284 -9.440 1.876 1.00 0.00 H new ATOM 0 HA LEU A 31 6.878 -9.991 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.887 -7.607 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.831 -7.762 -0.139 1.00 0.00 H new ATOM 0 HG LEU A 31 4.801 -7.681 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.038 -5.398 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.768 -5.553 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.806 -5.519 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.988 -7.328 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.753 -7.524 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.680 -8.891 -1.979 1.00 0.00 H new ATOM 538 N SER A 32 7.883 -11.305 1.735 1.00 0.00 N ATOM 539 CA SER A 32 8.936 -11.911 2.542 1.00 0.00 C ATOM 540 C SER A 32 10.257 -11.939 1.779 1.00 0.00 C ATOM 541 O SER A 32 11.332 -11.870 2.375 1.00 0.00 O ATOM 542 CB SER A 32 8.541 -13.331 2.951 1.00 0.00 C ATOM 543 OG SER A 32 8.187 -14.108 1.821 1.00 0.00 O ATOM 0 H SER A 32 7.081 -11.911 1.564 1.00 0.00 H new ATOM 0 HA SER A 32 9.067 -11.305 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.370 -13.805 3.477 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.703 -13.292 3.647 1.00 0.00 H new ATOM 0 HG SER A 32 7.940 -15.011 2.110 1.00 0.00 H new ATOM 549 N ASP A 33 10.168 -12.041 0.458 1.00 0.00 N ATOM 550 CA ASP A 33 11.355 -12.077 -0.388 1.00 0.00 C ATOM 551 C ASP A 33 12.139 -10.772 -0.282 1.00 0.00 C ATOM 552 O ASP A 33 13.332 -10.727 -0.581 1.00 0.00 O ATOM 553 CB ASP A 33 10.963 -12.332 -1.844 1.00 0.00 C ATOM 554 CG ASP A 33 10.760 -13.806 -2.139 1.00 0.00 C ATOM 555 OD1 ASP A 33 11.423 -14.638 -1.485 1.00 0.00 O ATOM 556 OD2 ASP A 33 9.940 -14.127 -3.025 1.00 0.00 O ATOM 0 H ASP A 33 9.286 -12.100 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 33 11.991 -12.892 -0.042 1.00 0.00 H new ATOM 0 HB2 ASP A 33 10.045 -11.789 -2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.738 -11.936 -2.501 1.00 0.00 H new ATOM 561 N CYS A 34 11.459 -9.714 0.146 1.00 0.00 N ATOM 562 CA CYS A 34 12.091 -8.407 0.290 1.00 0.00 C ATOM 563 C CYS A 34 12.392 -8.108 1.755 1.00 0.00 C ATOM 564 O CYS A 34 11.818 -8.720 2.657 1.00 0.00 O ATOM 565 CB CYS A 34 11.192 -7.315 -0.291 1.00 0.00 C ATOM 566 SG CYS A 34 9.946 -6.693 0.862 1.00 0.00 S ATOM 0 H CYS A 34 10.471 -9.735 0.399 1.00 0.00 H new ATOM 0 HA CYS A 34 13.032 -8.423 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.815 -6.483 -0.619 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.690 -7.706 -1.176 1.00 0.00 H new ATOM 0 HG CYS A 34 9.364 -7.694 1.453 1.00 0.00 H new ATOM 572 N THR A 35 13.299 -7.163 1.987 1.00 0.00 N ATOM 573 CA THR A 35 13.679 -6.784 3.342 1.00 0.00 C ATOM 574 C THR A 35 13.104 -5.422 3.714 1.00 0.00 C ATOM 575 O THR A 35 13.833 -4.433 3.799 1.00 0.00 O ATOM 576 CB THR A 35 15.210 -6.744 3.505 1.00 0.00 C ATOM 577 OG1 THR A 35 15.761 -8.045 3.272 1.00 0.00 O ATOM 578 CG2 THR A 35 15.593 -6.268 4.898 1.00 0.00 C ATOM 0 H THR A 35 13.784 -6.646 1.253 1.00 0.00 H new ATOM 0 HA THR A 35 13.269 -7.542 4.009 1.00 0.00 H new ATOM 0 HB THR A 35 15.613 -6.043 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 35 16.735 -8.011 3.376 1.00 0.00 H new ATOM 0 HG21 THR A 35 16.679 -6.248 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 35 15.196 -5.266 5.062 1.00 0.00 H new ATOM 0 HG23 THR A 35 15.179 -6.949 5.642 1.00 0.00 H new ATOM 586 N ILE A 36 11.795 -5.378 3.934 1.00 0.00 N ATOM 587 CA ILE A 36 11.123 -4.137 4.299 1.00 0.00 C ATOM 588 C ILE A 36 11.880 -3.407 5.404 1.00 0.00 C ATOM 589 O ILE A 36 12.343 -4.022 6.365 1.00 0.00 O ATOM 590 CB ILE A 36 9.678 -4.394 4.766 1.00 0.00 C ATOM 591 CG1 ILE A 36 8.883 -5.101 3.666 1.00 0.00 C ATOM 592 CG2 ILE A 36 9.006 -3.086 5.155 1.00 0.00 C ATOM 593 CD1 ILE A 36 7.554 -5.649 4.139 1.00 0.00 C ATOM 0 H ILE A 36 11.178 -6.187 3.866 1.00 0.00 H new ATOM 0 HA ILE A 36 11.101 -3.515 3.404 1.00 0.00 H new ATOM 0 HB ILE A 36 9.704 -5.041 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.708 -4.402 2.848 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.482 -5.918 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.986 -3.285 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.563 -2.618 5.967 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.987 -2.417 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.045 -6.137 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.722 -6.373 4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.937 -4.833 4.514 1.00 0.00 H new ATOM 605 N HIS A 37 12.000 -2.091 5.261 1.00 0.00 N ATOM 606 CA HIS A 37 12.698 -1.275 6.249 1.00 0.00 C ATOM 607 C HIS A 37 11.773 -0.913 7.407 1.00 0.00 C ATOM 608 O HIS A 37 10.671 -0.405 7.198 1.00 0.00 O ATOM 609 CB HIS A 37 13.242 -0.003 5.598 1.00 0.00 C ATOM 610 CG HIS A 37 13.595 1.069 6.582 1.00 0.00 C ATOM 611 ND1 HIS A 37 14.820 1.141 7.210 1.00 0.00 N ATOM 612 CD2 HIS A 37 12.875 2.118 7.045 1.00 0.00 C ATOM 613 CE1 HIS A 37 14.838 2.186 8.018 1.00 0.00 C ATOM 614 NE2 HIS A 37 13.670 2.797 7.935 1.00 0.00 N ATOM 0 H HIS A 37 11.623 -1.567 4.471 1.00 0.00 H new ATOM 0 HA HIS A 37 13.531 -1.858 6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.127 -0.254 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 37 12.499 0.385 4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.863 2.373 6.766 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.667 2.489 8.641 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.402 3.637 8.449 1.00 0.00 H new ATOM 623 N ASP A 38 12.227 -1.179 8.626 1.00 0.00 N ATOM 624 CA ASP A 38 11.441 -0.881 9.817 1.00 0.00 C ATOM 625 C ASP A 38 10.158 -1.706 9.842 1.00 0.00 C ATOM 626 O ASP A 38 9.168 -1.316 10.460 1.00 0.00 O ATOM 627 CB ASP A 38 11.104 0.610 9.872 1.00 0.00 C ATOM 628 CG ASP A 38 12.340 1.478 9.998 1.00 0.00 C ATOM 629 OD1 ASP A 38 13.455 0.919 10.058 1.00 0.00 O ATOM 630 OD2 ASP A 38 12.193 2.718 10.035 1.00 0.00 O ATOM 0 H ASP A 38 13.136 -1.601 8.816 1.00 0.00 H new ATOM 0 HA ASP A 38 12.038 -1.143 10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.557 0.890 8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.443 0.799 10.718 1.00 0.00 H new ATOM 635 N GLY A 39 10.182 -2.849 9.163 1.00 0.00 N ATOM 636 CA GLY A 39 9.015 -3.711 9.118 1.00 0.00 C ATOM 637 C GLY A 39 7.717 -2.928 9.100 1.00 0.00 C ATOM 638 O GLY A 39 7.534 -2.033 8.274 1.00 0.00 O ATOM 0 H GLY A 39 10.989 -3.194 8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.067 -4.342 8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.024 -4.375 9.983 1.00 0.00 H new ATOM 642 N VAL A 40 6.811 -3.266 10.013 1.00 0.00 N ATOM 643 CA VAL A 40 5.523 -2.589 10.098 1.00 0.00 C ATOM 644 C VAL A 40 5.681 -1.083 9.921 1.00 0.00 C ATOM 645 O VAL A 40 4.814 -0.420 9.350 1.00 0.00 O ATOM 646 CB VAL A 40 4.831 -2.866 11.446 1.00 0.00 C ATOM 647 CG1 VAL A 40 4.586 -4.357 11.624 1.00 0.00 C ATOM 648 CG2 VAL A 40 5.661 -2.313 12.594 1.00 0.00 C ATOM 0 H VAL A 40 6.946 -4.004 10.704 1.00 0.00 H new ATOM 0 HA VAL A 40 4.904 -2.984 9.292 1.00 0.00 H new ATOM 0 HB VAL A 40 3.865 -2.361 11.450 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.096 -4.533 12.582 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.948 -4.720 10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.538 -4.888 11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.157 -2.518 13.539 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.642 -2.788 12.596 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.779 -1.236 12.472 1.00 0.00 H new ATOM 658 N ALA A 41 6.793 -0.548 10.414 1.00 0.00 N ATOM 659 CA ALA A 41 7.066 0.880 10.308 1.00 0.00 C ATOM 660 C ALA A 41 7.636 1.230 8.937 1.00 0.00 C ATOM 661 O ALA A 41 8.320 2.240 8.778 1.00 0.00 O ATOM 662 CB ALA A 41 8.024 1.317 11.406 1.00 0.00 C ATOM 0 H ALA A 41 7.520 -1.082 10.891 1.00 0.00 H new ATOM 0 HA ALA A 41 6.124 1.414 10.428 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.219 2.386 11.315 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.580 1.111 12.380 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.961 0.768 11.311 1.00 0.00 H new ATOM 668 N GLY A 42 7.349 0.387 7.949 1.00 0.00 N ATOM 669 CA GLY A 42 7.841 0.625 6.605 1.00 0.00 C ATOM 670 C GLY A 42 6.763 0.453 5.554 1.00 0.00 C ATOM 671 O GLY A 42 6.983 0.737 4.376 1.00 0.00 O ATOM 0 H GLY A 42 6.785 -0.456 8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.246 1.635 6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.662 -0.061 6.395 1.00 0.00 H new ATOM 675 N VAL A 43 5.594 -0.016 5.978 1.00 0.00 N ATOM 676 CA VAL A 43 4.477 -0.226 5.065 1.00 0.00 C ATOM 677 C VAL A 43 3.472 0.917 5.153 1.00 0.00 C ATOM 678 O VAL A 43 2.948 1.215 6.226 1.00 0.00 O ATOM 679 CB VAL A 43 3.754 -1.554 5.359 1.00 0.00 C ATOM 680 CG1 VAL A 43 2.576 -1.742 4.415 1.00 0.00 C ATOM 681 CG2 VAL A 43 4.723 -2.722 5.253 1.00 0.00 C ATOM 0 H VAL A 43 5.396 -0.258 6.949 1.00 0.00 H new ATOM 0 HA VAL A 43 4.894 -0.262 4.059 1.00 0.00 H new ATOM 0 HB VAL A 43 3.370 -1.520 6.379 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.078 -2.686 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.872 -0.920 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.933 -1.755 3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.196 -3.652 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.138 -2.760 4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.530 -2.591 5.973 1.00 0.00 H new ATOM 691 N HIS A 44 3.207 1.553 4.017 1.00 0.00 N ATOM 692 CA HIS A 44 2.263 2.664 3.965 1.00 0.00 C ATOM 693 C HIS A 44 1.025 2.288 3.156 1.00 0.00 C ATOM 694 O HIS A 44 1.089 2.148 1.934 1.00 0.00 O ATOM 695 CB HIS A 44 2.929 3.899 3.356 1.00 0.00 C ATOM 696 CG HIS A 44 4.162 4.335 4.085 1.00 0.00 C ATOM 697 ND1 HIS A 44 4.147 5.275 5.094 1.00 0.00 N ATOM 698 CD2 HIS A 44 5.453 3.953 3.948 1.00 0.00 C ATOM 699 CE1 HIS A 44 5.375 5.454 5.545 1.00 0.00 C ATOM 700 NE2 HIS A 44 6.187 4.663 4.867 1.00 0.00 N ATOM 0 H HIS A 44 3.632 1.319 3.120 1.00 0.00 H new ATOM 0 HA HIS A 44 1.953 2.893 4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 44 3.186 3.688 2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.213 4.721 3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 44 5.835 3.226 3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.666 6.132 6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 44 7.195 4.591 5.004 1.00 0.00 H new ATOM 709 N PHE A 45 -0.099 2.124 3.845 1.00 0.00 N ATOM 710 CA PHE A 45 -1.351 1.762 3.191 1.00 0.00 C ATOM 711 C PHE A 45 -2.028 2.992 2.593 1.00 0.00 C ATOM 712 O PHE A 45 -1.803 4.117 3.042 1.00 0.00 O ATOM 713 CB PHE A 45 -2.292 1.081 4.186 1.00 0.00 C ATOM 714 CG PHE A 45 -2.066 -0.399 4.308 1.00 0.00 C ATOM 715 CD1 PHE A 45 -2.574 -1.272 3.359 1.00 0.00 C ATOM 716 CD2 PHE A 45 -1.347 -0.917 5.373 1.00 0.00 C ATOM 717 CE1 PHE A 45 -2.367 -2.634 3.469 1.00 0.00 C ATOM 718 CE2 PHE A 45 -1.137 -2.279 5.488 1.00 0.00 C ATOM 719 CZ PHE A 45 -1.649 -3.138 4.535 1.00 0.00 C ATOM 0 H PHE A 45 -0.169 2.236 4.856 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.122 1.067 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.167 1.542 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.323 1.259 3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.138 -0.883 2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.946 -0.250 6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.767 -3.303 2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.573 -2.671 6.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.488 -4.202 4.624 1.00 0.00 H new ATOM 729 N ILE A 46 -2.856 2.770 1.578 1.00 0.00 N ATOM 730 CA ILE A 46 -3.566 3.859 0.919 1.00 0.00 C ATOM 731 C ILE A 46 -5.053 3.828 1.254 1.00 0.00 C ATOM 732 O ILE A 46 -5.708 2.793 1.124 1.00 0.00 O ATOM 733 CB ILE A 46 -3.394 3.799 -0.610 1.00 0.00 C ATOM 734 CG1 ILE A 46 -1.917 3.632 -0.973 1.00 0.00 C ATOM 735 CG2 ILE A 46 -3.965 5.053 -1.256 1.00 0.00 C ATOM 736 CD1 ILE A 46 -1.094 4.882 -0.748 1.00 0.00 C ATOM 0 H ILE A 46 -3.052 1.846 1.194 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.132 4.788 1.289 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.942 2.936 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.496 2.818 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.839 3.339 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.836 4.996 -2.337 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.026 5.133 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.442 5.930 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.058 4.690 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.490 5.693 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.141 5.164 0.304 1.00 0.00 H new ATOM 748 N TYR A 47 -5.581 4.969 1.684 1.00 0.00 N ATOM 749 CA TYR A 47 -6.992 5.072 2.038 1.00 0.00 C ATOM 750 C TYR A 47 -7.748 5.918 1.018 1.00 0.00 C ATOM 751 O TYR A 47 -7.153 6.502 0.112 1.00 0.00 O ATOM 752 CB TYR A 47 -7.145 5.678 3.434 1.00 0.00 C ATOM 753 CG TYR A 47 -6.563 4.820 4.534 1.00 0.00 C ATOM 754 CD1 TYR A 47 -5.203 4.849 4.819 1.00 0.00 C ATOM 755 CD2 TYR A 47 -7.372 3.979 5.288 1.00 0.00 C ATOM 756 CE1 TYR A 47 -4.667 4.066 5.822 1.00 0.00 C ATOM 757 CE2 TYR A 47 -6.845 3.193 6.294 1.00 0.00 C ATOM 758 CZ TYR A 47 -5.492 3.240 6.558 1.00 0.00 C ATOM 759 OH TYR A 47 -4.962 2.458 7.558 1.00 0.00 O ATOM 0 H TYR A 47 -5.054 5.835 1.796 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.416 4.068 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.661 6.654 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.203 5.843 3.635 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.554 5.495 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.432 3.939 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.608 4.100 6.029 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.489 2.545 6.871 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.677 1.937 7.979 1.00 0.00 H new ATOM 769 N THR A 48 -9.067 5.980 1.173 1.00 0.00 N ATOM 770 CA THR A 48 -9.908 6.753 0.267 1.00 0.00 C ATOM 771 C THR A 48 -10.327 8.075 0.899 1.00 0.00 C ATOM 772 O THR A 48 -9.916 8.399 2.013 1.00 0.00 O ATOM 773 CB THR A 48 -11.169 5.967 -0.137 1.00 0.00 C ATOM 774 OG1 THR A 48 -12.066 5.874 0.975 1.00 0.00 O ATOM 775 CG2 THR A 48 -10.806 4.571 -0.620 1.00 0.00 C ATOM 0 H THR A 48 -9.576 5.504 1.918 1.00 0.00 H new ATOM 0 HA THR A 48 -9.313 6.952 -0.624 1.00 0.00 H new ATOM 0 HB THR A 48 -11.656 6.501 -0.953 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.866 5.374 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.713 4.035 -0.900 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.147 4.645 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.297 4.031 0.178 1.00 0.00 H new ATOM 783 N ARG A 49 -11.149 8.834 0.182 1.00 0.00 N ATOM 784 CA ARG A 49 -11.624 10.122 0.674 1.00 0.00 C ATOM 785 C ARG A 49 -12.585 9.936 1.844 1.00 0.00 C ATOM 786 O ARG A 49 -12.723 10.817 2.692 1.00 0.00 O ATOM 787 CB ARG A 49 -12.315 10.898 -0.449 1.00 0.00 C ATOM 788 CG ARG A 49 -13.430 11.809 0.036 1.00 0.00 C ATOM 789 CD ARG A 49 -14.723 11.038 0.257 1.00 0.00 C ATOM 790 NE ARG A 49 -15.901 11.880 0.069 1.00 0.00 N ATOM 791 CZ ARG A 49 -16.415 12.649 1.023 1.00 0.00 C ATOM 792 NH1 ARG A 49 -15.856 12.681 2.225 1.00 0.00 N ATOM 793 NH2 ARG A 49 -17.489 13.387 0.775 1.00 0.00 N ATOM 0 H ARG A 49 -11.500 8.580 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.761 10.690 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.572 11.496 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.724 10.190 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.129 12.291 0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.598 12.601 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.765 10.196 -0.434 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.730 10.624 1.265 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.354 11.878 -0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.030 12.115 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.252 13.272 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.921 13.364 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.883 13.977 1.508 1.00 0.00 H new ATOM 807 N GLU A 50 -13.248 8.784 1.882 1.00 0.00 N ATOM 808 CA GLU A 50 -14.197 8.484 2.947 1.00 0.00 C ATOM 809 C GLU A 50 -13.491 7.850 4.143 1.00 0.00 C ATOM 810 O GLU A 50 -14.003 7.868 5.261 1.00 0.00 O ATOM 811 CB GLU A 50 -15.295 7.549 2.435 1.00 0.00 C ATOM 812 CG GLU A 50 -16.072 8.111 1.257 1.00 0.00 C ATOM 813 CD GLU A 50 -17.278 7.266 0.896 1.00 0.00 C ATOM 814 OE1 GLU A 50 -17.102 6.051 0.664 1.00 0.00 O ATOM 815 OE2 GLU A 50 -18.397 7.818 0.846 1.00 0.00 O ATOM 0 H GLU A 50 -13.145 8.044 1.188 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.650 9.422 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.845 6.600 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -15.988 7.337 3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.400 9.123 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.412 8.183 0.393 1.00 0.00 H new ATOM 822 N GLY A 51 -12.311 7.289 3.896 1.00 0.00 N ATOM 823 CA GLY A 51 -11.554 6.657 4.961 1.00 0.00 C ATOM 824 C GLY A 51 -11.649 5.144 4.921 1.00 0.00 C ATOM 825 O GLY A 51 -12.027 4.513 5.908 1.00 0.00 O ATOM 0 H GLY A 51 -11.866 7.261 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.508 6.954 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.918 7.016 5.924 1.00 0.00 H new ATOM 829 N ARG A 52 -11.308 4.562 3.776 1.00 0.00 N ATOM 830 CA ARG A 52 -11.360 3.114 3.610 1.00 0.00 C ATOM 831 C ARG A 52 -10.156 2.614 2.817 1.00 0.00 C ATOM 832 O ARG A 52 -9.538 3.369 2.069 1.00 0.00 O ATOM 833 CB ARG A 52 -12.654 2.706 2.904 1.00 0.00 C ATOM 834 CG ARG A 52 -13.908 3.254 3.566 1.00 0.00 C ATOM 835 CD ARG A 52 -15.126 2.404 3.243 1.00 0.00 C ATOM 836 NE ARG A 52 -16.334 2.908 3.891 1.00 0.00 N ATOM 837 CZ ARG A 52 -17.552 2.442 3.639 1.00 0.00 C ATOM 838 NH1 ARG A 52 -17.724 1.467 2.757 1.00 0.00 N ATOM 839 NH2 ARG A 52 -18.602 2.952 4.271 1.00 0.00 N ATOM 0 H ARG A 52 -10.993 5.070 2.950 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.336 2.659 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.618 3.051 1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.715 1.618 2.875 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.764 3.290 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.079 4.278 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.276 2.382 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.946 1.377 3.561 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.237 3.659 4.574 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.920 1.072 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -18.661 1.112 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.474 3.702 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.537 2.594 4.077 1.00 0.00 H new ATOM 853 N GLN A 53 -9.830 1.337 2.989 1.00 0.00 N ATOM 854 CA GLN A 53 -8.700 0.737 2.290 1.00 0.00 C ATOM 855 C GLN A 53 -8.954 0.685 0.787 1.00 0.00 C ATOM 856 O GLN A 53 -9.588 -0.244 0.287 1.00 0.00 O ATOM 857 CB GLN A 53 -8.433 -0.672 2.823 1.00 0.00 C ATOM 858 CG GLN A 53 -7.555 -0.697 4.064 1.00 0.00 C ATOM 859 CD GLN A 53 -6.761 -1.981 4.192 1.00 0.00 C ATOM 860 OE1 GLN A 53 -7.450 -3.114 4.119 1.00 0.00 O flip ATOM 861 NE2 GLN A 53 -5.540 -1.957 4.354 1.00 0.00 N flip ATOM 0 H GLN A 53 -10.332 0.698 3.606 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.823 1.358 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.385 -1.151 3.052 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.958 -1.264 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.868 0.149 4.035 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.179 -0.571 4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.050 -1.064 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.019 -2.830 4.438 1.00 0.00 H new ATOM 870 N SER A 54 -8.455 1.688 0.073 1.00 0.00 N ATOM 871 CA SER A 54 -8.632 1.759 -1.373 1.00 0.00 C ATOM 872 C SER A 54 -8.092 0.503 -2.049 1.00 0.00 C ATOM 873 O SER A 54 -8.576 0.094 -3.103 1.00 0.00 O ATOM 874 CB SER A 54 -7.929 2.997 -1.934 1.00 0.00 C ATOM 875 OG SER A 54 -8.114 4.117 -1.087 1.00 0.00 O ATOM 0 H SER A 54 -7.925 2.463 0.472 1.00 0.00 H new ATOM 0 HA SER A 54 -9.700 1.831 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.864 2.794 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.318 3.221 -2.928 1.00 0.00 H new ATOM 0 HG SER A 54 -8.072 4.939 -1.618 1.00 0.00 H new ATOM 881 N GLY A 55 -7.083 -0.105 -1.433 1.00 0.00 N ATOM 882 CA GLY A 55 -6.491 -1.309 -1.988 1.00 0.00 C ATOM 883 C GLY A 55 -5.000 -1.169 -2.220 1.00 0.00 C ATOM 884 O GLY A 55 -4.254 -2.140 -2.102 1.00 0.00 O ATOM 0 H GLY A 55 -6.665 0.214 -0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.673 -2.144 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.981 -1.549 -2.931 1.00 0.00 H new ATOM 888 N GLU A 56 -4.566 0.043 -2.553 1.00 0.00 N ATOM 889 CA GLU A 56 -3.154 0.305 -2.805 1.00 0.00 C ATOM 890 C GLU A 56 -2.392 0.485 -1.495 1.00 0.00 C ATOM 891 O GLU A 56 -2.908 1.061 -0.538 1.00 0.00 O ATOM 892 CB GLU A 56 -2.991 1.551 -3.677 1.00 0.00 C ATOM 893 CG GLU A 56 -3.454 1.355 -5.111 1.00 0.00 C ATOM 894 CD GLU A 56 -3.826 2.660 -5.788 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.443 3.518 -5.122 1.00 0.00 O ATOM 896 OE2 GLU A 56 -3.501 2.824 -6.982 1.00 0.00 O ATOM 0 H GLU A 56 -5.171 0.858 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.740 -0.555 -3.332 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.553 2.372 -3.232 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.942 1.847 -3.680 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.663 0.867 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.314 0.686 -5.123 1.00 0.00 H new ATOM 903 N ALA A 57 -1.160 -0.013 -1.461 1.00 0.00 N ATOM 904 CA ALA A 57 -0.326 0.093 -0.270 1.00 0.00 C ATOM 905 C ALA A 57 1.155 0.033 -0.630 1.00 0.00 C ATOM 906 O ALA A 57 1.628 -0.954 -1.193 1.00 0.00 O ATOM 907 CB ALA A 57 -0.675 -1.009 0.719 1.00 0.00 C ATOM 0 H ALA A 57 -0.718 -0.494 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.522 1.059 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.044 -0.917 1.603 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.722 -0.919 1.009 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.509 -1.981 0.254 1.00 0.00 H new ATOM 913 N PHE A 58 1.882 1.096 -0.303 1.00 0.00 N ATOM 914 CA PHE A 58 3.309 1.165 -0.593 1.00 0.00 C ATOM 915 C PHE A 58 4.118 0.436 0.476 1.00 0.00 C ATOM 916 O PHE A 58 3.589 0.063 1.523 1.00 0.00 O ATOM 917 CB PHE A 58 3.762 2.624 -0.685 1.00 0.00 C ATOM 918 CG PHE A 58 3.225 3.344 -1.889 1.00 0.00 C ATOM 919 CD1 PHE A 58 1.882 3.674 -1.973 1.00 0.00 C ATOM 920 CD2 PHE A 58 4.063 3.691 -2.937 1.00 0.00 C ATOM 921 CE1 PHE A 58 1.385 4.336 -3.080 1.00 0.00 C ATOM 922 CE2 PHE A 58 3.572 4.353 -4.046 1.00 0.00 C ATOM 923 CZ PHE A 58 2.231 4.677 -4.117 1.00 0.00 C ATOM 0 H PHE A 58 1.506 1.922 0.163 1.00 0.00 H new ATOM 0 HA PHE A 58 3.483 0.676 -1.551 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.446 3.152 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.851 2.657 -0.708 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.216 3.411 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 58 5.112 3.441 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.336 4.586 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.236 4.617 -4.856 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.845 5.196 -4.982 1.00 0.00 H new ATOM 933 N VAL A 59 5.403 0.237 0.204 1.00 0.00 N ATOM 934 CA VAL A 59 6.286 -0.447 1.141 1.00 0.00 C ATOM 935 C VAL A 59 7.740 -0.044 0.921 1.00 0.00 C ATOM 936 O VAL A 59 8.217 -0.002 -0.212 1.00 0.00 O ATOM 937 CB VAL A 59 6.164 -1.977 1.013 1.00 0.00 C ATOM 938 CG1 VAL A 59 7.111 -2.671 1.980 1.00 0.00 C ATOM 939 CG2 VAL A 59 4.728 -2.419 1.251 1.00 0.00 C ATOM 0 H VAL A 59 5.856 0.540 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 59 5.977 -0.148 2.142 1.00 0.00 H new ATOM 0 HB VAL A 59 6.444 -2.263 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.011 -3.751 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.137 -2.379 1.757 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.865 -2.381 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.661 -3.503 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.417 -2.122 2.253 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.076 -1.949 0.515 1.00 0.00 H new ATOM 949 N GLU A 60 8.438 0.252 2.013 1.00 0.00 N ATOM 950 CA GLU A 60 9.838 0.652 1.938 1.00 0.00 C ATOM 951 C GLU A 60 10.758 -0.560 2.058 1.00 0.00 C ATOM 952 O GLU A 60 10.516 -1.460 2.864 1.00 0.00 O ATOM 953 CB GLU A 60 10.162 1.663 3.040 1.00 0.00 C ATOM 954 CG GLU A 60 9.521 3.024 2.826 1.00 0.00 C ATOM 955 CD GLU A 60 9.794 3.984 3.967 1.00 0.00 C ATOM 956 OE1 GLU A 60 10.934 3.987 4.478 1.00 0.00 O ATOM 957 OE2 GLU A 60 8.870 4.731 4.349 1.00 0.00 O ATOM 0 H GLU A 60 8.057 0.222 2.959 1.00 0.00 H new ATOM 0 HA GLU A 60 10.005 1.118 0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.831 1.262 3.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.243 1.786 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.894 3.455 1.897 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.444 2.900 2.710 1.00 0.00 H new ATOM 964 N LEU A 61 11.813 -0.576 1.251 1.00 0.00 N ATOM 965 CA LEU A 61 12.770 -1.678 1.265 1.00 0.00 C ATOM 966 C LEU A 61 14.099 -1.236 1.869 1.00 0.00 C ATOM 967 O LEU A 61 14.254 -0.086 2.277 1.00 0.00 O ATOM 968 CB LEU A 61 12.991 -2.204 -0.154 1.00 0.00 C ATOM 969 CG LEU A 61 11.736 -2.629 -0.917 1.00 0.00 C ATOM 970 CD1 LEU A 61 12.099 -3.132 -2.305 1.00 0.00 C ATOM 971 CD2 LEU A 61 10.977 -3.696 -0.142 1.00 0.00 C ATOM 0 H LEU A 61 12.028 0.161 0.579 1.00 0.00 H new ATOM 0 HA LEU A 61 12.359 -2.477 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 61 13.498 -1.431 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.667 -3.058 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 61 11.089 -1.759 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.193 -3.430 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 61 12.598 -2.338 -2.861 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.767 -3.989 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.087 -3.987 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.617 -4.567 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.683 -3.300 0.830 1.00 0.00 H new ATOM 983 N GLU A 62 15.055 -2.159 1.921 1.00 0.00 N ATOM 984 CA GLU A 62 16.371 -1.863 2.475 1.00 0.00 C ATOM 985 C GLU A 62 17.368 -1.541 1.365 1.00 0.00 C ATOM 986 O GLU A 62 18.113 -0.565 1.450 1.00 0.00 O ATOM 987 CB GLU A 62 16.877 -3.046 3.303 1.00 0.00 C ATOM 988 CG GLU A 62 18.253 -2.820 3.908 1.00 0.00 C ATOM 989 CD GLU A 62 18.240 -1.784 5.015 1.00 0.00 C ATOM 990 OE1 GLU A 62 17.925 -2.149 6.167 1.00 0.00 O ATOM 991 OE2 GLU A 62 18.545 -0.607 4.729 1.00 0.00 O ATOM 0 H GLU A 62 14.943 -3.116 1.587 1.00 0.00 H new ATOM 0 HA GLU A 62 16.278 -0.990 3.121 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.166 -3.249 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.908 -3.934 2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.632 -3.763 4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.942 -2.502 3.126 1.00 0.00 H new ATOM 998 N SER A 63 17.375 -2.369 0.325 1.00 0.00 N ATOM 999 CA SER A 63 18.283 -2.176 -0.799 1.00 0.00 C ATOM 1000 C SER A 63 17.565 -2.415 -2.124 1.00 0.00 C ATOM 1001 O SER A 63 16.374 -2.723 -2.149 1.00 0.00 O ATOM 1002 CB SER A 63 19.484 -3.117 -0.680 1.00 0.00 C ATOM 1003 OG SER A 63 20.098 -3.001 0.592 1.00 0.00 O ATOM 0 H SER A 63 16.762 -3.180 0.238 1.00 0.00 H new ATOM 0 HA SER A 63 18.635 -1.145 -0.777 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.161 -4.146 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 20.210 -2.886 -1.460 1.00 0.00 H new ATOM 0 HG SER A 63 20.862 -3.613 0.644 1.00 0.00 H new ATOM 1009 N GLU A 64 18.300 -2.270 -3.223 1.00 0.00 N ATOM 1010 CA GLU A 64 17.733 -2.469 -4.551 1.00 0.00 C ATOM 1011 C GLU A 64 17.220 -3.897 -4.716 1.00 0.00 C ATOM 1012 O GLU A 64 16.043 -4.115 -5.004 1.00 0.00 O ATOM 1013 CB GLU A 64 18.778 -2.164 -5.627 1.00 0.00 C ATOM 1014 CG GLU A 64 18.201 -2.082 -7.030 1.00 0.00 C ATOM 1015 CD GLU A 64 19.173 -1.479 -8.026 1.00 0.00 C ATOM 1016 OE1 GLU A 64 20.381 -1.784 -7.936 1.00 0.00 O ATOM 1017 OE2 GLU A 64 18.725 -0.702 -8.895 1.00 0.00 O ATOM 0 H GLU A 64 19.288 -2.016 -3.219 1.00 0.00 H new ATOM 0 HA GLU A 64 16.893 -1.784 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.267 -1.220 -5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 64 19.547 -2.936 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.919 -3.081 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.290 -1.484 -7.010 1.00 0.00 H new ATOM 1024 N ASP A 65 18.111 -4.864 -4.531 1.00 0.00 N ATOM 1025 CA ASP A 65 17.750 -6.271 -4.658 1.00 0.00 C ATOM 1026 C ASP A 65 16.317 -6.509 -4.191 1.00 0.00 C ATOM 1027 O ASP A 65 15.546 -7.207 -4.850 1.00 0.00 O ATOM 1028 CB ASP A 65 18.714 -7.142 -3.852 1.00 0.00 C ATOM 1029 CG ASP A 65 19.964 -7.499 -4.633 1.00 0.00 C ATOM 1030 OD1 ASP A 65 19.831 -7.949 -5.790 1.00 0.00 O ATOM 1031 OD2 ASP A 65 21.074 -7.329 -4.086 1.00 0.00 O ATOM 0 H ASP A 65 19.089 -4.700 -4.292 1.00 0.00 H new ATOM 0 HA ASP A 65 17.820 -6.545 -5.711 1.00 0.00 H new ATOM 0 HB2 ASP A 65 18.997 -6.617 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.205 -8.057 -3.549 1.00 0.00 H new ATOM 1036 N ASP A 66 15.969 -5.925 -3.050 1.00 0.00 N ATOM 1037 CA ASP A 66 14.629 -6.073 -2.493 1.00 0.00 C ATOM 1038 C ASP A 66 13.567 -5.760 -3.543 1.00 0.00 C ATOM 1039 O ASP A 66 12.626 -6.529 -3.738 1.00 0.00 O ATOM 1040 CB ASP A 66 14.452 -5.156 -1.282 1.00 0.00 C ATOM 1041 CG ASP A 66 15.229 -5.639 -0.073 1.00 0.00 C ATOM 1042 OD1 ASP A 66 15.491 -6.857 0.018 1.00 0.00 O ATOM 1043 OD2 ASP A 66 15.575 -4.798 0.783 1.00 0.00 O ATOM 0 H ASP A 66 16.596 -5.345 -2.492 1.00 0.00 H new ATOM 0 HA ASP A 66 14.507 -7.108 -2.175 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.778 -4.149 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.394 -5.093 -1.029 1.00 0.00 H new ATOM 1048 N VAL A 67 13.724 -4.624 -4.215 1.00 0.00 N ATOM 1049 CA VAL A 67 12.779 -4.208 -5.245 1.00 0.00 C ATOM 1050 C VAL A 67 12.576 -5.308 -6.281 1.00 0.00 C ATOM 1051 O VAL A 67 11.461 -5.790 -6.482 1.00 0.00 O ATOM 1052 CB VAL A 67 13.253 -2.928 -5.958 1.00 0.00 C ATOM 1053 CG1 VAL A 67 12.191 -2.433 -6.929 1.00 0.00 C ATOM 1054 CG2 VAL A 67 13.601 -1.851 -4.942 1.00 0.00 C ATOM 0 H VAL A 67 14.497 -3.975 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 67 11.833 -4.006 -4.743 1.00 0.00 H new ATOM 0 HB VAL A 67 14.152 -3.162 -6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.544 -1.528 -7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.995 -3.202 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.273 -2.214 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 67 13.934 -0.953 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.721 -1.617 -4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.398 -2.209 -4.291 1.00 0.00 H new ATOM 1064 N LYS A 68 13.663 -5.703 -6.937 1.00 0.00 N ATOM 1065 CA LYS A 68 13.607 -6.748 -7.952 1.00 0.00 C ATOM 1066 C LYS A 68 12.824 -7.956 -7.446 1.00 0.00 C ATOM 1067 O LYS A 68 12.030 -8.546 -8.180 1.00 0.00 O ATOM 1068 CB LYS A 68 15.021 -7.174 -8.353 1.00 0.00 C ATOM 1069 CG LYS A 68 15.891 -6.024 -8.828 1.00 0.00 C ATOM 1070 CD LYS A 68 17.335 -6.457 -9.014 1.00 0.00 C ATOM 1071 CE LYS A 68 18.298 -5.304 -8.774 1.00 0.00 C ATOM 1072 NZ LYS A 68 19.702 -5.676 -9.103 1.00 0.00 N ATOM 0 H LYS A 68 14.593 -5.314 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 68 13.094 -6.345 -8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.502 -7.654 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.956 -7.920 -9.145 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.502 -5.637 -9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.845 -5.209 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.563 -7.272 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.473 -6.843 -10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.998 -4.448 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.240 -4.993 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.327 -4.864 -8.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.998 -6.476 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.763 -5.948 -10.105 1.00 0.00 H new ATOM 1086 N LEU A 69 13.053 -8.319 -6.189 1.00 0.00 N ATOM 1087 CA LEU A 69 12.368 -9.457 -5.585 1.00 0.00 C ATOM 1088 C LEU A 69 10.873 -9.184 -5.451 1.00 0.00 C ATOM 1089 O LEU A 69 10.045 -9.988 -5.878 1.00 0.00 O ATOM 1090 CB LEU A 69 12.967 -9.767 -4.212 1.00 0.00 C ATOM 1091 CG LEU A 69 14.444 -10.162 -4.197 1.00 0.00 C ATOM 1092 CD1 LEU A 69 14.982 -10.162 -2.774 1.00 0.00 C ATOM 1093 CD2 LEU A 69 14.637 -11.526 -4.843 1.00 0.00 C ATOM 0 H LEU A 69 13.707 -7.842 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 69 12.504 -10.320 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.840 -8.891 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.391 -10.575 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 69 15.004 -9.426 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 69 16.034 -10.445 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 14.878 -9.165 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.419 -10.876 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.694 -11.791 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.065 -12.273 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.290 -11.492 -5.876 1.00 0.00 H new ATOM 1105 N ALA A 70 10.536 -8.044 -4.857 1.00 0.00 N ATOM 1106 CA ALA A 70 9.141 -7.663 -4.671 1.00 0.00 C ATOM 1107 C ALA A 70 8.366 -7.760 -5.981 1.00 0.00 C ATOM 1108 O ALA A 70 7.237 -8.251 -6.011 1.00 0.00 O ATOM 1109 CB ALA A 70 9.050 -6.254 -4.104 1.00 0.00 C ATOM 0 H ALA A 70 11.210 -7.368 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 70 8.692 -8.358 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.003 -5.983 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.561 -6.215 -3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.521 -5.553 -4.793 1.00 0.00 H new ATOM 1115 N LEU A 71 8.979 -7.288 -7.061 1.00 0.00 N ATOM 1116 CA LEU A 71 8.346 -7.321 -8.375 1.00 0.00 C ATOM 1117 C LEU A 71 8.014 -8.752 -8.785 1.00 0.00 C ATOM 1118 O LEU A 71 7.148 -8.984 -9.628 1.00 0.00 O ATOM 1119 CB LEU A 71 9.260 -6.678 -9.420 1.00 0.00 C ATOM 1120 CG LEU A 71 9.583 -5.198 -9.210 1.00 0.00 C ATOM 1121 CD1 LEU A 71 10.697 -4.757 -10.147 1.00 0.00 C ATOM 1122 CD2 LEU A 71 8.339 -4.347 -9.418 1.00 0.00 C ATOM 0 H LEU A 71 9.913 -6.878 -7.053 1.00 0.00 H new ATOM 0 HA LEU A 71 7.416 -6.755 -8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.197 -7.234 -9.445 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.795 -6.792 -10.399 1.00 0.00 H new ATOM 0 HG LEU A 71 9.925 -5.061 -8.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.913 -3.701 -9.983 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.593 -5.346 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.384 -4.907 -11.180 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.587 -3.297 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.967 -4.488 -10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.570 -4.646 -8.706 1.00 0.00 H new ATOM 1134 N LYS A 72 8.708 -9.711 -8.180 1.00 0.00 N ATOM 1135 CA LYS A 72 8.486 -11.120 -8.478 1.00 0.00 C ATOM 1136 C LYS A 72 7.168 -11.602 -7.880 1.00 0.00 C ATOM 1137 O LYS A 72 6.678 -12.680 -8.218 1.00 0.00 O ATOM 1138 CB LYS A 72 9.642 -11.965 -7.938 1.00 0.00 C ATOM 1139 CG LYS A 72 11.008 -11.507 -8.419 1.00 0.00 C ATOM 1140 CD LYS A 72 12.069 -12.568 -8.181 1.00 0.00 C ATOM 1141 CE LYS A 72 13.437 -12.106 -8.659 1.00 0.00 C ATOM 1142 NZ LYS A 72 14.443 -13.202 -8.603 1.00 0.00 N ATOM 0 H LYS A 72 9.429 -9.537 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 72 8.436 -11.233 -9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.622 -11.938 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.491 -13.003 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.960 -11.272 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.288 -10.589 -7.902 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.115 -12.806 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.791 -13.485 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.359 -11.737 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.774 -11.272 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.362 -12.847 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.537 -13.538 -7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.134 -13.988 -9.210 1.00 0.00 H new ATOM 1156 N LYS A 73 6.597 -10.796 -6.992 1.00 0.00 N ATOM 1157 CA LYS A 73 5.334 -11.137 -6.349 1.00 0.00 C ATOM 1158 C LYS A 73 4.155 -10.543 -7.114 1.00 0.00 C ATOM 1159 O LYS A 73 3.065 -10.380 -6.565 1.00 0.00 O ATOM 1160 CB LYS A 73 5.322 -10.635 -4.903 1.00 0.00 C ATOM 1161 CG LYS A 73 6.655 -10.796 -4.193 1.00 0.00 C ATOM 1162 CD LYS A 73 6.978 -12.259 -3.939 1.00 0.00 C ATOM 1163 CE LYS A 73 6.224 -12.795 -2.731 1.00 0.00 C ATOM 1164 NZ LYS A 73 6.029 -14.269 -2.809 1.00 0.00 N ATOM 0 H LYS A 73 6.990 -9.901 -6.701 1.00 0.00 H new ATOM 0 HA LYS A 73 5.236 -12.223 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.040 -9.582 -4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.556 -11.174 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.445 -10.347 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.631 -10.258 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.721 -12.848 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.050 -12.374 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.773 -12.549 -1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.254 -12.303 -2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.512 -14.596 -1.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.484 -14.502 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.955 -14.740 -2.850 1.00 0.00 H new ATOM 1178 N ASP A 74 4.382 -10.222 -8.383 1.00 0.00 N ATOM 1179 CA ASP A 74 3.338 -9.649 -9.225 1.00 0.00 C ATOM 1180 C ASP A 74 2.226 -10.662 -9.478 1.00 0.00 C ATOM 1181 O ASP A 74 2.411 -11.863 -9.283 1.00 0.00 O ATOM 1182 CB ASP A 74 3.927 -9.176 -10.555 1.00 0.00 C ATOM 1183 CG ASP A 74 4.014 -10.291 -11.578 1.00 0.00 C ATOM 1184 OD1 ASP A 74 4.552 -11.367 -11.240 1.00 0.00 O ATOM 1185 OD2 ASP A 74 3.543 -10.089 -12.717 1.00 0.00 O ATOM 0 H ASP A 74 5.279 -10.349 -8.851 1.00 0.00 H new ATOM 0 HA ASP A 74 2.912 -8.793 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.314 -8.368 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.922 -8.766 -10.383 1.00 0.00 H new ATOM 1190 N ARG A 75 1.071 -10.169 -9.913 1.00 0.00 N ATOM 1191 CA ARG A 75 -0.072 -11.032 -10.191 1.00 0.00 C ATOM 1192 C ARG A 75 -0.099 -12.222 -9.236 1.00 0.00 C ATOM 1193 O ARG A 75 -0.502 -13.322 -9.613 1.00 0.00 O ATOM 1194 CB ARG A 75 -0.025 -11.525 -11.638 1.00 0.00 C ATOM 1195 CG ARG A 75 1.000 -12.622 -11.874 1.00 0.00 C ATOM 1196 CD ARG A 75 1.307 -12.788 -13.354 1.00 0.00 C ATOM 1197 NE ARG A 75 2.647 -13.324 -13.579 1.00 0.00 N ATOM 1198 CZ ARG A 75 3.039 -13.866 -14.726 1.00 0.00 C ATOM 1199 NH1 ARG A 75 2.198 -13.944 -15.748 1.00 0.00 N ATOM 1200 NH2 ARG A 75 4.275 -14.332 -14.853 1.00 0.00 N ATOM 0 H ARG A 75 0.902 -9.177 -10.081 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.981 -10.449 -10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.011 -11.894 -11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.199 -10.683 -12.293 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.918 -12.386 -11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.627 -13.563 -11.471 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.570 -13.453 -13.804 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.214 -11.824 -13.854 1.00 0.00 H new ATOM 0 HE ARG A 75 3.319 -13.279 -12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.247 -13.587 -15.654 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.502 -14.361 -16.628 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.925 -14.274 -14.069 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.575 -14.748 -15.735 1.00 0.00 H new ATOM 1214 N GLU A 76 0.333 -11.993 -8.000 1.00 0.00 N ATOM 1215 CA GLU A 76 0.359 -13.048 -6.993 1.00 0.00 C ATOM 1216 C GLU A 76 -1.024 -13.249 -6.381 1.00 0.00 C ATOM 1217 O GLU A 76 -2.000 -12.635 -6.810 1.00 0.00 O ATOM 1218 CB GLU A 76 1.371 -12.711 -5.896 1.00 0.00 C ATOM 1219 CG GLU A 76 2.768 -13.240 -6.173 1.00 0.00 C ATOM 1220 CD GLU A 76 2.860 -14.747 -6.033 1.00 0.00 C ATOM 1221 OE1 GLU A 76 2.774 -15.244 -4.891 1.00 0.00 O ATOM 1222 OE2 GLU A 76 3.017 -15.430 -7.067 1.00 0.00 O ATOM 0 H GLU A 76 0.669 -11.088 -7.672 1.00 0.00 H new ATOM 0 HA GLU A 76 0.659 -13.975 -7.481 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.418 -11.629 -5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.018 -13.120 -4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.067 -12.954 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.473 -12.771 -5.486 1.00 0.00 H new ATOM 1229 N SER A 77 -1.098 -14.115 -5.375 1.00 0.00 N ATOM 1230 CA SER A 77 -2.362 -14.401 -4.705 1.00 0.00 C ATOM 1231 C SER A 77 -2.224 -14.241 -3.194 1.00 0.00 C ATOM 1232 O SER A 77 -1.526 -15.013 -2.538 1.00 0.00 O ATOM 1233 CB SER A 77 -2.829 -15.819 -5.039 1.00 0.00 C ATOM 1234 OG SER A 77 -1.848 -16.777 -4.682 1.00 0.00 O ATOM 0 H SER A 77 -0.299 -14.630 -5.006 1.00 0.00 H new ATOM 0 HA SER A 77 -3.105 -13.687 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.759 -16.032 -4.512 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.043 -15.893 -6.105 1.00 0.00 H new ATOM 0 HG SER A 77 -1.480 -16.556 -3.801 1.00 0.00 H new ATOM 1240 N MET A 78 -2.896 -13.232 -2.649 1.00 0.00 N ATOM 1241 CA MET A 78 -2.851 -12.970 -1.216 1.00 0.00 C ATOM 1242 C MET A 78 -4.164 -13.367 -0.548 1.00 0.00 C ATOM 1243 O MET A 78 -5.192 -12.720 -0.745 1.00 0.00 O ATOM 1244 CB MET A 78 -2.559 -11.491 -0.955 1.00 0.00 C ATOM 1245 CG MET A 78 -2.665 -11.100 0.510 1.00 0.00 C ATOM 1246 SD MET A 78 -2.768 -9.316 0.747 1.00 0.00 S ATOM 1247 CE MET A 78 -1.033 -8.873 0.748 1.00 0.00 C ATOM 0 H MET A 78 -3.478 -12.583 -3.178 1.00 0.00 H new ATOM 0 HA MET A 78 -2.050 -13.572 -0.787 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.556 -11.258 -1.313 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.253 -10.884 -1.536 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.546 -11.572 0.945 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.799 -11.485 1.048 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.897 -7.936 1.288 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.457 -9.660 1.235 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.687 -8.753 -0.279 1.00 0.00 H new ATOM 1257 N GLY A 79 -4.122 -14.436 0.242 1.00 0.00 N ATOM 1258 CA GLY A 79 -5.315 -14.900 0.925 1.00 0.00 C ATOM 1259 C GLY A 79 -6.339 -15.484 -0.028 1.00 0.00 C ATOM 1260 O GLY A 79 -6.312 -16.678 -0.325 1.00 0.00 O ATOM 0 H GLY A 79 -3.283 -14.988 0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.038 -15.654 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.763 -14.070 1.471 1.00 0.00 H new ATOM 1264 N HIS A 80 -7.247 -14.640 -0.508 1.00 0.00 N ATOM 1265 CA HIS A 80 -8.286 -15.079 -1.433 1.00 0.00 C ATOM 1266 C HIS A 80 -8.420 -14.107 -2.601 1.00 0.00 C ATOM 1267 O HIS A 80 -9.434 -14.096 -3.299 1.00 0.00 O ATOM 1268 CB HIS A 80 -9.624 -15.208 -0.705 1.00 0.00 C ATOM 1269 CG HIS A 80 -10.109 -13.921 -0.110 1.00 0.00 C ATOM 1270 ND1 HIS A 80 -11.313 -13.342 -0.448 1.00 0.00 N ATOM 1271 CD2 HIS A 80 -9.544 -13.103 0.808 1.00 0.00 C ATOM 1272 CE1 HIS A 80 -11.467 -12.222 0.235 1.00 0.00 C ATOM 1273 NE2 HIS A 80 -10.408 -12.054 1.005 1.00 0.00 N ATOM 0 H HIS A 80 -7.284 -13.648 -0.272 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.999 -16.054 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -10.373 -15.581 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.527 -15.951 0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.591 -13.248 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -12.315 -11.557 0.174 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -10.256 -11.272 1.642 1.00 0.00 H new ATOM 1282 N ARG A 81 -7.390 -13.292 -2.808 1.00 0.00 N ATOM 1283 CA ARG A 81 -7.394 -12.315 -3.890 1.00 0.00 C ATOM 1284 C ARG A 81 -6.027 -12.243 -4.563 1.00 0.00 C ATOM 1285 O ARG A 81 -5.069 -12.875 -4.115 1.00 0.00 O ATOM 1286 CB ARG A 81 -7.786 -10.935 -3.359 1.00 0.00 C ATOM 1287 CG ARG A 81 -9.217 -10.862 -2.849 1.00 0.00 C ATOM 1288 CD ARG A 81 -9.621 -9.432 -2.528 1.00 0.00 C ATOM 1289 NE ARG A 81 -10.215 -8.759 -3.680 1.00 0.00 N ATOM 1290 CZ ARG A 81 -11.501 -8.843 -3.998 1.00 0.00 C ATOM 1291 NH1 ARG A 81 -12.325 -9.568 -3.255 1.00 0.00 N ATOM 1292 NH2 ARG A 81 -11.967 -8.201 -5.062 1.00 0.00 N ATOM 0 H ARG A 81 -6.542 -13.289 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 81 -8.128 -12.634 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.107 -10.659 -2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.654 -10.199 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.893 -11.273 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.318 -11.479 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.333 -9.433 -1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.746 -8.874 -2.194 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.608 -8.193 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.971 -10.063 -2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.313 -9.631 -3.502 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.337 -7.642 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.955 -8.267 -5.305 1.00 0.00 H new ATOM 1306 N TYR A 82 -5.943 -11.471 -5.640 1.00 0.00 N ATOM 1307 CA TYR A 82 -4.694 -11.319 -6.376 1.00 0.00 C ATOM 1308 C TYR A 82 -4.033 -9.981 -6.058 1.00 0.00 C ATOM 1309 O TYR A 82 -4.711 -8.992 -5.779 1.00 0.00 O ATOM 1310 CB TYR A 82 -4.947 -11.429 -7.881 1.00 0.00 C ATOM 1311 CG TYR A 82 -4.782 -12.832 -8.421 1.00 0.00 C ATOM 1312 CD1 TYR A 82 -5.722 -13.818 -8.149 1.00 0.00 C ATOM 1313 CD2 TYR A 82 -3.685 -13.170 -9.205 1.00 0.00 C ATOM 1314 CE1 TYR A 82 -5.574 -15.101 -8.641 1.00 0.00 C ATOM 1315 CE2 TYR A 82 -3.530 -14.450 -9.701 1.00 0.00 C ATOM 1316 CZ TYR A 82 -4.477 -15.412 -9.416 1.00 0.00 C ATOM 1317 OH TYR A 82 -4.327 -16.688 -9.908 1.00 0.00 O ATOM 0 H TYR A 82 -6.725 -10.940 -6.023 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.021 -12.119 -6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.957 -11.082 -8.098 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.262 -10.764 -8.406 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.583 -13.578 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -2.942 -12.420 -9.430 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.314 -15.856 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -2.672 -14.696 -10.309 1.00 0.00 H new ATOM 0 HH TYR A 82 -3.503 -16.741 -10.435 1.00 0.00 H new ATOM 1327 N ILE A 83 -2.705 -9.959 -6.102 1.00 0.00 N ATOM 1328 CA ILE A 83 -1.952 -8.744 -5.820 1.00 0.00 C ATOM 1329 C ILE A 83 -1.028 -8.388 -6.980 1.00 0.00 C ATOM 1330 O ILE A 83 -0.403 -9.263 -7.579 1.00 0.00 O ATOM 1331 CB ILE A 83 -1.114 -8.886 -4.536 1.00 0.00 C ATOM 1332 CG1 ILE A 83 -1.931 -9.574 -3.441 1.00 0.00 C ATOM 1333 CG2 ILE A 83 -0.630 -7.523 -4.065 1.00 0.00 C ATOM 1334 CD1 ILE A 83 -3.229 -8.866 -3.120 1.00 0.00 C ATOM 0 H ILE A 83 -2.129 -10.769 -6.330 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.681 -7.946 -5.681 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.243 -9.503 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.151 -10.596 -3.751 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.328 -9.638 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.039 -7.641 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.015 -7.067 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.488 -6.883 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -3.756 -9.409 -2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.016 -7.853 -2.779 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.852 -8.825 -4.014 1.00 0.00 H new ATOM 1346 N GLU A 84 -0.945 -7.098 -7.290 1.00 0.00 N ATOM 1347 CA GLU A 84 -0.096 -6.628 -8.378 1.00 0.00 C ATOM 1348 C GLU A 84 0.982 -5.682 -7.856 1.00 0.00 C ATOM 1349 O GLU A 84 0.689 -4.570 -7.417 1.00 0.00 O ATOM 1350 CB GLU A 84 -0.938 -5.921 -9.442 1.00 0.00 C ATOM 1351 CG GLU A 84 -1.900 -6.846 -10.170 1.00 0.00 C ATOM 1352 CD GLU A 84 -2.786 -6.108 -11.155 1.00 0.00 C ATOM 1353 OE1 GLU A 84 -2.256 -5.606 -12.168 1.00 0.00 O ATOM 1354 OE2 GLU A 84 -4.008 -6.031 -10.912 1.00 0.00 O ATOM 0 H GLU A 84 -1.455 -6.361 -6.804 1.00 0.00 H new ATOM 0 HA GLU A 84 0.390 -7.494 -8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.505 -5.119 -8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.273 -5.456 -10.170 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.332 -7.611 -10.700 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.525 -7.361 -9.441 1.00 0.00 H new ATOM 1361 N VAL A 85 2.232 -6.132 -7.908 1.00 0.00 N ATOM 1362 CA VAL A 85 3.354 -5.327 -7.442 1.00 0.00 C ATOM 1363 C VAL A 85 3.720 -4.252 -8.459 1.00 0.00 C ATOM 1364 O VAL A 85 3.684 -4.488 -9.667 1.00 0.00 O ATOM 1365 CB VAL A 85 4.593 -6.199 -7.165 1.00 0.00 C ATOM 1366 CG1 VAL A 85 5.763 -5.338 -6.713 1.00 0.00 C ATOM 1367 CG2 VAL A 85 4.273 -7.265 -6.129 1.00 0.00 C ATOM 0 H VAL A 85 2.493 -7.050 -8.268 1.00 0.00 H new ATOM 0 HA VAL A 85 3.038 -4.851 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 85 4.878 -6.699 -8.091 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.629 -5.972 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.006 -4.616 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.493 -4.808 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.160 -7.872 -5.946 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.961 -6.788 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.468 -7.901 -6.498 1.00 0.00 H new ATOM 1377 N PHE A 86 4.072 -3.071 -7.963 1.00 0.00 N ATOM 1378 CA PHE A 86 4.444 -1.958 -8.829 1.00 0.00 C ATOM 1379 C PHE A 86 5.727 -1.293 -8.338 1.00 0.00 C ATOM 1380 O PHE A 86 5.863 -0.976 -7.156 1.00 0.00 O ATOM 1381 CB PHE A 86 3.313 -0.930 -8.887 1.00 0.00 C ATOM 1382 CG PHE A 86 2.101 -1.413 -9.632 1.00 0.00 C ATOM 1383 CD1 PHE A 86 2.219 -1.928 -10.913 1.00 0.00 C ATOM 1384 CD2 PHE A 86 0.845 -1.352 -9.051 1.00 0.00 C ATOM 1385 CE1 PHE A 86 1.106 -2.375 -11.601 1.00 0.00 C ATOM 1386 CE2 PHE A 86 -0.271 -1.797 -9.734 1.00 0.00 C ATOM 1387 CZ PHE A 86 -0.141 -2.308 -11.011 1.00 0.00 C ATOM 0 H PHE A 86 4.108 -2.860 -6.966 1.00 0.00 H new ATOM 0 HA PHE A 86 4.620 -2.351 -9.830 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.023 -0.664 -7.871 1.00 0.00 H new ATOM 0 HB3 PHE A 86 3.683 -0.021 -9.361 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.192 -1.981 -11.379 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.737 -0.952 -8.054 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.212 -2.776 -12.598 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.245 -1.745 -9.270 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.013 -2.654 -11.547 1.00 0.00 H new ATOM 1397 N LYS A 87 6.665 -1.083 -9.255 1.00 0.00 N ATOM 1398 CA LYS A 87 7.938 -0.455 -8.919 1.00 0.00 C ATOM 1399 C LYS A 87 7.779 1.056 -8.782 1.00 0.00 C ATOM 1400 O LYS A 87 7.400 1.738 -9.733 1.00 0.00 O ATOM 1401 CB LYS A 87 8.986 -0.774 -9.987 1.00 0.00 C ATOM 1402 CG LYS A 87 10.411 -0.770 -9.462 1.00 0.00 C ATOM 1403 CD LYS A 87 10.927 0.645 -9.262 1.00 0.00 C ATOM 1404 CE LYS A 87 12.429 0.662 -9.023 1.00 0.00 C ATOM 1405 NZ LYS A 87 13.031 1.979 -9.369 1.00 0.00 N ATOM 0 H LYS A 87 6.568 -1.339 -10.238 1.00 0.00 H new ATOM 0 HA LYS A 87 8.271 -0.856 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.769 -1.752 -10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.903 -0.046 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.453 -1.311 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.059 -1.299 -10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.690 1.247 -10.139 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.417 1.103 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.633 0.433 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.900 -0.120 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.055 1.950 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.859 2.186 -10.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.600 2.722 -8.783 1.00 0.00 H new ATOM 1419 N SER A 88 8.073 1.572 -7.592 1.00 0.00 N ATOM 1420 CA SER A 88 7.960 3.002 -7.331 1.00 0.00 C ATOM 1421 C SER A 88 9.048 3.465 -6.366 1.00 0.00 C ATOM 1422 O SER A 88 9.713 2.650 -5.725 1.00 0.00 O ATOM 1423 CB SER A 88 6.580 3.330 -6.757 1.00 0.00 C ATOM 1424 OG SER A 88 6.185 4.647 -7.101 1.00 0.00 O ATOM 0 H SER A 88 8.391 1.021 -6.795 1.00 0.00 H new ATOM 0 HA SER A 88 8.087 3.530 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.847 2.617 -7.134 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.599 3.224 -5.672 1.00 0.00 H new ATOM 0 HG SER A 88 5.210 4.683 -7.190 1.00 0.00 H new ATOM 1430 N HIS A 89 9.223 4.779 -6.267 1.00 0.00 N ATOM 1431 CA HIS A 89 10.229 5.352 -5.380 1.00 0.00 C ATOM 1432 C HIS A 89 9.595 5.833 -4.079 1.00 0.00 C ATOM 1433 O HIS A 89 8.397 5.653 -3.857 1.00 0.00 O ATOM 1434 CB HIS A 89 10.947 6.511 -6.071 1.00 0.00 C ATOM 1435 CG HIS A 89 10.019 7.470 -6.752 1.00 0.00 C ATOM 1436 ND1 HIS A 89 9.737 8.725 -6.257 1.00 0.00 N ATOM 1437 CD2 HIS A 89 9.309 7.351 -7.899 1.00 0.00 C ATOM 1438 CE1 HIS A 89 8.892 9.337 -7.068 1.00 0.00 C ATOM 1439 NE2 HIS A 89 8.617 8.524 -8.072 1.00 0.00 N ATOM 0 H HIS A 89 8.681 5.467 -6.790 1.00 0.00 H new ATOM 0 HA HIS A 89 10.955 4.574 -5.143 1.00 0.00 H new ATOM 0 HB2 HIS A 89 11.539 7.053 -5.333 1.00 0.00 H new ATOM 0 HB3 HIS A 89 11.644 6.109 -6.806 1.00 0.00 H new ATOM 0 HD2 HIS A 89 9.291 6.493 -8.555 1.00 0.00 H new ATOM 0 HE1 HIS A 89 8.494 10.332 -6.933 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.992 8.734 -8.850 1.00 0.00 H new ATOM 1448 N ARG A 90 10.406 6.444 -3.222 1.00 0.00 N ATOM 1449 CA ARG A 90 9.925 6.949 -1.942 1.00 0.00 C ATOM 1450 C ARG A 90 9.212 8.287 -2.118 1.00 0.00 C ATOM 1451 O ARG A 90 8.017 8.407 -1.845 1.00 0.00 O ATOM 1452 CB ARG A 90 11.088 7.105 -0.961 1.00 0.00 C ATOM 1453 CG ARG A 90 10.651 7.216 0.491 1.00 0.00 C ATOM 1454 CD ARG A 90 10.376 8.660 0.881 1.00 0.00 C ATOM 1455 NE ARG A 90 9.900 8.774 2.257 1.00 0.00 N ATOM 1456 CZ ARG A 90 9.982 9.889 2.973 1.00 0.00 C ATOM 1457 NH1 ARG A 90 10.519 10.981 2.446 1.00 0.00 N ATOM 1458 NH2 ARG A 90 9.526 9.915 4.219 1.00 0.00 N ATOM 0 H ARG A 90 11.400 6.601 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 90 9.214 6.227 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.757 6.251 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.661 7.993 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.753 6.618 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.426 6.804 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.287 9.247 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.634 9.083 0.204 1.00 0.00 H new ATOM 0 HE ARG A 90 9.482 7.952 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.870 10.966 1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.581 11.836 2.998 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.112 9.077 4.628 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.590 10.773 4.768 1.00 0.00 H new ATOM 1472 N THR A 91 9.953 9.291 -2.577 1.00 0.00 N ATOM 1473 CA THR A 91 9.393 10.619 -2.788 1.00 0.00 C ATOM 1474 C THR A 91 7.940 10.538 -3.244 1.00 0.00 C ATOM 1475 O THR A 91 7.089 11.289 -2.769 1.00 0.00 O ATOM 1476 CB THR A 91 10.203 11.411 -3.833 1.00 0.00 C ATOM 1477 OG1 THR A 91 11.574 11.495 -3.428 1.00 0.00 O ATOM 1478 CG2 THR A 91 9.634 12.810 -4.011 1.00 0.00 C ATOM 0 H THR A 91 10.943 9.209 -2.810 1.00 0.00 H new ATOM 0 HA THR A 91 9.442 11.138 -1.831 1.00 0.00 H new ATOM 0 HB THR A 91 10.138 10.886 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.083 11.998 -4.098 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.222 13.350 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.599 12.742 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 91 9.672 13.342 -3.060 1.00 0.00 H new ATOM 1486 N GLU A 92 7.664 9.620 -4.165 1.00 0.00 N ATOM 1487 CA GLU A 92 6.313 9.442 -4.684 1.00 0.00 C ATOM 1488 C GLU A 92 5.361 8.992 -3.579 1.00 0.00 C ATOM 1489 O GLU A 92 4.423 9.705 -3.226 1.00 0.00 O ATOM 1490 CB GLU A 92 6.311 8.419 -5.822 1.00 0.00 C ATOM 1491 CG GLU A 92 4.958 7.766 -6.051 1.00 0.00 C ATOM 1492 CD GLU A 92 4.757 7.328 -7.488 1.00 0.00 C ATOM 1493 OE1 GLU A 92 5.548 7.756 -8.355 1.00 0.00 O ATOM 1494 OE2 GLU A 92 3.809 6.558 -7.746 1.00 0.00 O ATOM 0 H GLU A 92 8.357 8.989 -4.567 1.00 0.00 H new ATOM 0 HA GLU A 92 5.969 10.402 -5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.628 8.911 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.047 7.645 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.861 6.901 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.170 8.466 -5.775 1.00 0.00 H new ATOM 1501 N MET A 93 5.611 7.804 -3.038 1.00 0.00 N ATOM 1502 CA MET A 93 4.777 7.259 -1.973 1.00 0.00 C ATOM 1503 C MET A 93 4.453 8.329 -0.935 1.00 0.00 C ATOM 1504 O MET A 93 3.469 8.219 -0.203 1.00 0.00 O ATOM 1505 CB MET A 93 5.478 6.076 -1.302 1.00 0.00 C ATOM 1506 CG MET A 93 4.767 5.577 -0.055 1.00 0.00 C ATOM 1507 SD MET A 93 5.776 4.436 0.910 1.00 0.00 S ATOM 1508 CE MET A 93 7.025 5.548 1.551 1.00 0.00 C ATOM 0 H MET A 93 6.384 7.201 -3.319 1.00 0.00 H new ATOM 0 HA MET A 93 3.843 6.914 -2.417 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.557 5.257 -2.017 1.00 0.00 H new ATOM 0 HB3 MET A 93 6.494 6.368 -1.038 1.00 0.00 H new ATOM 0 HG2 MET A 93 4.493 6.429 0.567 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.840 5.081 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.560 5.063 2.367 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.728 5.802 0.757 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.549 6.457 1.919 1.00 0.00 H new ATOM 1518 N ASP A 94 5.286 9.362 -0.877 1.00 0.00 N ATOM 1519 CA ASP A 94 5.088 10.452 0.071 1.00 0.00 C ATOM 1520 C ASP A 94 3.913 11.330 -0.348 1.00 0.00 C ATOM 1521 O ASP A 94 3.106 11.743 0.484 1.00 0.00 O ATOM 1522 CB ASP A 94 6.358 11.296 0.183 1.00 0.00 C ATOM 1523 CG ASP A 94 6.517 11.924 1.554 1.00 0.00 C ATOM 1524 OD1 ASP A 94 6.717 11.172 2.532 1.00 0.00 O ATOM 1525 OD2 ASP A 94 6.442 13.166 1.650 1.00 0.00 O ATOM 0 H ASP A 94 6.105 9.467 -1.476 1.00 0.00 H new ATOM 0 HA ASP A 94 4.864 10.017 1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 94 7.226 10.672 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.337 12.081 -0.573 1.00 0.00 H new ATOM 1530 N TRP A 95 3.825 11.612 -1.643 1.00 0.00 N ATOM 1531 CA TRP A 95 2.750 12.442 -2.173 1.00 0.00 C ATOM 1532 C TRP A 95 1.422 11.693 -2.151 1.00 0.00 C ATOM 1533 O TRP A 95 0.417 12.205 -1.659 1.00 0.00 O ATOM 1534 CB TRP A 95 3.076 12.886 -3.600 1.00 0.00 C ATOM 1535 CG TRP A 95 2.456 12.014 -4.649 1.00 0.00 C ATOM 1536 CD1 TRP A 95 3.110 11.194 -5.524 1.00 0.00 C ATOM 1537 CD2 TRP A 95 1.060 11.877 -4.935 1.00 0.00 C ATOM 1538 NE1 TRP A 95 2.204 10.556 -6.337 1.00 0.00 N ATOM 1539 CE2 TRP A 95 0.940 10.957 -5.995 1.00 0.00 C ATOM 1540 CE3 TRP A 95 -0.100 12.441 -4.398 1.00 0.00 C ATOM 1541 CZ2 TRP A 95 -0.294 10.591 -6.526 1.00 0.00 C ATOM 1542 CZ3 TRP A 95 -1.324 12.077 -4.926 1.00 0.00 C ATOM 1543 CH2 TRP A 95 -1.414 11.158 -5.981 1.00 0.00 C ATOM 0 H TRP A 95 4.485 11.278 -2.345 1.00 0.00 H new ATOM 0 HA TRP A 95 2.659 13.323 -1.538 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.734 13.911 -3.741 1.00 0.00 H new ATOM 0 HB3 TRP A 95 4.158 12.890 -3.734 1.00 0.00 H new ATOM 0 HD1 TRP A 95 4.181 11.066 -5.570 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.436 9.892 -7.075 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.041 13.149 -3.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.365 9.884 -7.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.227 12.508 -4.519 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.386 10.893 -6.371 1.00 0.00 H new ATOM 1554 N VAL A 96 1.425 10.476 -2.688 1.00 0.00 N ATOM 1555 CA VAL A 96 0.221 9.656 -2.729 1.00 0.00 C ATOM 1556 C VAL A 96 -0.383 9.497 -1.339 1.00 0.00 C ATOM 1557 O VAL A 96 -1.601 9.386 -1.187 1.00 0.00 O ATOM 1558 CB VAL A 96 0.512 8.261 -3.313 1.00 0.00 C ATOM 1559 CG1 VAL A 96 1.181 8.380 -4.674 1.00 0.00 C ATOM 1560 CG2 VAL A 96 1.373 7.452 -2.355 1.00 0.00 C ATOM 0 H VAL A 96 2.248 10.037 -3.100 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.491 10.171 -3.374 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.435 7.737 -3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.379 7.384 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.524 8.918 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.121 8.923 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.569 6.469 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.317 7.970 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.850 7.336 -1.405 1.00 0.00 H new ATOM 1570 N LEU A 97 0.475 9.487 -0.325 1.00 0.00 N ATOM 1571 CA LEU A 97 0.026 9.342 1.056 1.00 0.00 C ATOM 1572 C LEU A 97 -0.649 10.619 1.546 1.00 0.00 C ATOM 1573 O LEU A 97 -1.821 10.609 1.922 1.00 0.00 O ATOM 1574 CB LEU A 97 1.208 8.995 1.963 1.00 0.00 C ATOM 1575 CG LEU A 97 1.701 7.549 1.901 1.00 0.00 C ATOM 1576 CD1 LEU A 97 3.058 7.418 2.575 1.00 0.00 C ATOM 1577 CD2 LEU A 97 0.690 6.613 2.547 1.00 0.00 C ATOM 0 H LEU A 97 1.485 9.578 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.702 8.532 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.040 9.652 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.928 9.218 2.992 1.00 0.00 H new ATOM 0 HG LEU A 97 1.810 7.267 0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.393 6.382 2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.779 8.059 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.976 7.719 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.057 5.588 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.549 6.894 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.261 6.685 2.020 1.00 0.00 H new ATOM 1589 N LYS A 98 0.098 11.717 1.537 1.00 0.00 N ATOM 1590 CA LYS A 98 -0.428 13.004 1.977 1.00 0.00 C ATOM 1591 C LYS A 98 -1.845 13.220 1.456 1.00 0.00 C ATOM 1592 O LYS A 98 -2.634 13.950 2.057 1.00 0.00 O ATOM 1593 CB LYS A 98 0.480 14.140 1.500 1.00 0.00 C ATOM 1594 CG LYS A 98 1.906 14.034 2.013 1.00 0.00 C ATOM 1595 CD LYS A 98 2.878 14.784 1.117 1.00 0.00 C ATOM 1596 CE LYS A 98 4.048 15.346 1.910 1.00 0.00 C ATOM 1597 NZ LYS A 98 3.740 16.688 2.476 1.00 0.00 N ATOM 0 H LYS A 98 1.070 11.742 1.230 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.456 13.002 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.494 14.149 0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.057 15.092 1.821 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.960 14.434 3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.197 12.985 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.251 14.114 0.342 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.356 15.597 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.302 14.660 2.718 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.924 15.416 1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.562 17.037 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.523 17.349 1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.920 16.617 3.112 1.00 0.00 H new ATOM 1611 N HIS A 99 -2.163 12.579 0.336 1.00 0.00 N ATOM 1612 CA HIS A 99 -3.487 12.699 -0.264 1.00 0.00 C ATOM 1613 C HIS A 99 -4.147 11.330 -0.403 1.00 0.00 C ATOM 1614 O HIS A 99 -4.665 10.985 -1.464 1.00 0.00 O ATOM 1615 CB HIS A 99 -3.390 13.372 -1.634 1.00 0.00 C ATOM 1616 CG HIS A 99 -2.292 14.387 -1.726 1.00 0.00 C ATOM 1617 ND1 HIS A 99 -1.864 15.133 -0.647 1.00 0.00 N ATOM 1618 CD2 HIS A 99 -1.533 14.778 -2.776 1.00 0.00 C ATOM 1619 CE1 HIS A 99 -0.891 15.939 -1.031 1.00 0.00 C ATOM 1620 NE2 HIS A 99 -0.670 15.743 -2.318 1.00 0.00 N ATOM 0 H HIS A 99 -1.522 11.971 -0.174 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.102 13.314 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.232 12.608 -2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.340 13.855 -1.860 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.595 14.401 -3.786 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.365 16.640 -0.399 1.00 0.00 H new ATOM 0 HE2 HIS A 99 0.028 16.229 -2.881 1.00 0.00 H new ATOM 1629 N SER A 100 -4.123 10.555 0.677 1.00 0.00 N ATOM 1630 CA SER A 100 -4.715 9.223 0.674 1.00 0.00 C ATOM 1631 C SER A 100 -5.832 9.123 1.709 1.00 0.00 C ATOM 1632 O SER A 100 -6.827 8.430 1.500 1.00 0.00 O ATOM 1633 CB SER A 100 -3.646 8.166 0.957 1.00 0.00 C ATOM 1634 OG SER A 100 -3.256 8.187 2.320 1.00 0.00 O ATOM 0 H SER A 100 -3.700 10.827 1.564 1.00 0.00 H new ATOM 0 HA SER A 100 -5.141 9.044 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.030 7.179 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.777 8.345 0.324 1.00 0.00 H new ATOM 0 HG SER A 100 -2.703 8.978 2.490 1.00 0.00 H new ATOM 1640 N GLY A 101 -5.659 9.821 2.827 1.00 0.00 N ATOM 1641 CA GLY A 101 -6.658 9.798 3.879 1.00 0.00 C ATOM 1642 C GLY A 101 -7.888 10.611 3.528 1.00 0.00 C ATOM 1643 O GLY A 101 -7.861 11.467 2.643 1.00 0.00 O ATOM 0 H GLY A 101 -4.844 10.402 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.952 8.767 4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.221 10.185 4.799 1.00 0.00 H new ATOM 1647 N PRO A 102 -8.999 10.345 4.231 1.00 0.00 N ATOM 1648 CA PRO A 102 -10.266 11.048 4.005 1.00 0.00 C ATOM 1649 C PRO A 102 -10.210 12.503 4.458 1.00 0.00 C ATOM 1650 O PRO A 102 -11.081 13.302 4.119 1.00 0.00 O ATOM 1651 CB PRO A 102 -11.265 10.260 4.857 1.00 0.00 C ATOM 1652 CG PRO A 102 -10.439 9.633 5.927 1.00 0.00 C ATOM 1653 CD PRO A 102 -9.104 9.338 5.300 1.00 0.00 C ATOM 0 HA PRO A 102 -10.527 11.090 2.947 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.028 10.914 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.783 9.506 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.330 10.304 6.779 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.907 8.721 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.292 9.431 6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.062 8.324 4.902 1.00 0.00 H new ATOM 1661 N ASN A 103 -9.179 12.840 5.227 1.00 0.00 N ATOM 1662 CA ASN A 103 -9.010 14.199 5.726 1.00 0.00 C ATOM 1663 C ASN A 103 -8.626 15.150 4.597 1.00 0.00 C ATOM 1664 O ASN A 103 -9.311 16.142 4.347 1.00 0.00 O ATOM 1665 CB ASN A 103 -7.943 14.233 6.822 1.00 0.00 C ATOM 1666 CG ASN A 103 -7.904 15.563 7.550 1.00 0.00 C ATOM 1667 OD1 ASN A 103 -8.481 15.709 8.628 1.00 0.00 O ATOM 1668 ND2 ASN A 103 -7.223 16.540 6.963 1.00 0.00 N ATOM 0 H ASN A 103 -8.449 12.190 5.518 1.00 0.00 H new ATOM 0 HA ASN A 103 -9.962 14.526 6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -8.137 13.435 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.966 14.035 6.381 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.162 17.457 7.406 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.760 16.374 6.069 1.00 0.00 H new ATOM 1675 N SER A 104 -7.528 14.839 3.916 1.00 0.00 N ATOM 1676 CA SER A 104 -7.050 15.667 2.815 1.00 0.00 C ATOM 1677 C SER A 104 -6.958 14.856 1.526 1.00 0.00 C ATOM 1678 O SER A 104 -5.876 14.428 1.126 1.00 0.00 O ATOM 1679 CB SER A 104 -5.683 16.265 3.154 1.00 0.00 C ATOM 1680 OG SER A 104 -5.079 16.838 2.008 1.00 0.00 O ATOM 0 H SER A 104 -6.952 14.019 4.107 1.00 0.00 H new ATOM 0 HA SER A 104 -7.765 16.476 2.665 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.797 17.025 3.927 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.034 15.490 3.562 1.00 0.00 H new ATOM 0 HG SER A 104 -4.868 16.132 1.362 1.00 0.00 H new ATOM 1686 N ALA A 105 -8.101 14.649 0.881 1.00 0.00 N ATOM 1687 CA ALA A 105 -8.150 13.892 -0.363 1.00 0.00 C ATOM 1688 C ALA A 105 -7.833 14.782 -1.560 1.00 0.00 C ATOM 1689 O ALA A 105 -7.942 16.005 -1.482 1.00 0.00 O ATOM 1690 CB ALA A 105 -9.516 13.243 -0.533 1.00 0.00 C ATOM 0 H ALA A 105 -9.006 14.995 1.200 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.392 13.110 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -9.538 12.681 -1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -9.704 12.568 0.302 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -10.285 14.015 -0.556 1.00 0.00 H new ATOM 1696 N SER A 106 -7.439 14.159 -2.666 1.00 0.00 N ATOM 1697 CA SER A 106 -7.101 14.895 -3.879 1.00 0.00 C ATOM 1698 C SER A 106 -8.352 15.190 -4.702 1.00 0.00 C ATOM 1699 O SER A 106 -8.643 16.343 -5.019 1.00 0.00 O ATOM 1700 CB SER A 106 -6.099 14.103 -4.720 1.00 0.00 C ATOM 1701 OG SER A 106 -5.967 14.660 -6.016 1.00 0.00 O ATOM 0 H SER A 106 -7.346 13.147 -2.747 1.00 0.00 H new ATOM 0 HA SER A 106 -6.649 15.842 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 106 -5.129 14.096 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.425 13.066 -4.798 1.00 0.00 H new ATOM 0 HG SER A 106 -5.320 14.136 -6.533 1.00 0.00 H new ATOM 1707 N GLY A 107 -9.089 14.138 -5.044 1.00 0.00 N ATOM 1708 CA GLY A 107 -10.299 14.304 -5.827 1.00 0.00 C ATOM 1709 C GLY A 107 -10.234 13.579 -7.157 1.00 0.00 C ATOM 1710 O GLY A 107 -9.429 12.668 -7.353 1.00 0.00 O ATOM 0 H GLY A 107 -8.870 13.174 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -11.151 13.934 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -10.471 15.366 -6.004 1.00 0.00 H new ATOM 1714 N PRO A 108 -11.098 13.984 -8.100 1.00 0.00 N ATOM 1715 CA PRO A 108 -11.155 13.380 -9.434 1.00 0.00 C ATOM 1716 C PRO A 108 -9.928 13.715 -10.275 1.00 0.00 C ATOM 1717 O PRO A 108 -9.446 14.848 -10.264 1.00 0.00 O ATOM 1718 CB PRO A 108 -12.411 13.999 -10.051 1.00 0.00 C ATOM 1719 CG PRO A 108 -12.586 15.294 -9.335 1.00 0.00 C ATOM 1720 CD PRO A 108 -12.085 15.064 -7.936 1.00 0.00 C ATOM 0 HA PRO A 108 -11.179 12.291 -9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -12.291 14.153 -11.123 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -13.278 13.352 -9.917 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -12.025 16.090 -9.825 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -13.633 15.599 -9.330 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.631 15.963 -7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -12.892 14.772 -7.263 1.00 0.00 H new ATOM 1728 N SER A 109 -9.427 12.723 -11.005 1.00 0.00 N ATOM 1729 CA SER A 109 -8.254 12.912 -11.850 1.00 0.00 C ATOM 1730 C SER A 109 -8.620 13.658 -13.129 1.00 0.00 C ATOM 1731 O SER A 109 -9.795 13.774 -13.478 1.00 0.00 O ATOM 1732 CB SER A 109 -7.625 11.561 -12.196 1.00 0.00 C ATOM 1733 OG SER A 109 -8.506 10.774 -12.977 1.00 0.00 O ATOM 0 H SER A 109 -9.816 11.780 -11.028 1.00 0.00 H new ATOM 0 HA SER A 109 -7.531 13.510 -11.296 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.694 11.719 -12.740 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.372 11.028 -11.279 1.00 0.00 H new ATOM 0 HG SER A 109 -8.080 9.917 -13.186 1.00 0.00 H new ATOM 1739 N SER A 110 -7.606 14.162 -13.825 1.00 0.00 N ATOM 1740 CA SER A 110 -7.820 14.900 -15.064 1.00 0.00 C ATOM 1741 C SER A 110 -6.707 14.613 -16.066 1.00 0.00 C ATOM 1742 O SER A 110 -5.573 15.058 -15.896 1.00 0.00 O ATOM 1743 CB SER A 110 -7.894 16.402 -14.781 1.00 0.00 C ATOM 1744 OG SER A 110 -7.881 17.148 -15.986 1.00 0.00 O ATOM 0 H SER A 110 -6.627 14.073 -13.552 1.00 0.00 H new ATOM 0 HA SER A 110 -8.766 14.572 -15.495 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.802 16.626 -14.221 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.052 16.700 -14.156 1.00 0.00 H new ATOM 0 HG SER A 110 -7.931 18.105 -15.779 1.00 0.00 H new ATOM 1750 N GLY A 111 -7.040 13.865 -17.114 1.00 0.00 N ATOM 1751 CA GLY A 111 -6.059 13.531 -18.130 1.00 0.00 C ATOM 1752 C GLY A 111 -6.300 14.265 -19.433 1.00 0.00 C ATOM 1753 O GLY A 111 -6.846 13.698 -20.381 1.00 0.00 O ATOM 0 H GLY A 111 -7.972 13.484 -17.277 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -5.062 13.771 -17.761 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -6.081 12.457 -18.313 1.00 0.00 H new TER 1757 GLY A 111