USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 895 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 2 GLN :FLIP amide:sc= -0.281 F(o=-3.7,f=-2.9) USER MOD Set 1.2: A 119 GLN :FLIP amide:sc= -2.64! C(o=-3.7!,f=-2.9!) USER MOD Set 2.1: A 104 THR OG1 : rot 180:sc= -1.3 USER MOD Set 2.2: A 105 ASN :FLIP amide:sc= -0.268 F(o=-4!,f=-1.6) USER MOD Set 3.1: A 71 ASN : amide:sc= 0.0909 K(o=0.16,f=-9.6!) USER MOD Set 3.2: A 74 THR OG1 : rot -153:sc= 0.07 USER MOD Single : A 1 GLU N :NH3+ -156:sc= -0.328 (180deg=-1.89!) USER MOD Single : A 4 ASN : amide:sc= 0.0113 K(o=0.011,f=-1.8) USER MOD Single : A 9 THR OG1 : rot 15:sc= -1.22 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.515 X(o=-0.52,f=-0.18) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.392 K(o=-0.39,f=-3.5!) USER MOD Single : A 28 SER OG : rot 54:sc= 0.75 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0505 USER MOD Single : A 38 LYS NZ :NH3+ -165:sc= -0.0164 (180deg=-0.381) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -90:sc= 0.814 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 35:sc= 0.914 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.0722 (180deg=-0.585) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 77 GLN : amide:sc= 1.3 K(o=1.3,f=-12!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.94) USER MOD Single : A 88 ASN : amide:sc= -0.593 X(o=-0.59,f=-0.73) USER MOD Single : A 97 THR OG1 : rot -66:sc= 0.899 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN :FLIP amide:sc= -3.91! C(o=-5.8!,f=-3.9!) USER MOD Single : A 113 HIS : no HE2:sc= -0.0643 X(o=-0.064,f=-0.36) USER MOD Single : A 115 ASN :FLIP amide:sc= -1.45 F(o=-4!,f=-1.4) USER MOD Single : A 117 ASN : amide:sc= 0.0174 K(o=0.017,f=-5.6!) USER MOD Single : A 118 TYR OH : rot 28:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.143 12.698 0.267 1.00 0.00 N ATOM 2 CA GLU A 1 1.985 12.856 -1.219 1.00 0.00 C ATOM 3 C GLU A 1 3.343 12.802 -1.977 1.00 0.00 C ATOM 4 O GLU A 1 3.443 12.224 -3.048 1.00 0.00 O ATOM 5 CB GLU A 1 1.238 14.197 -1.443 1.00 0.00 C ATOM 6 CG GLU A 1 -0.113 14.115 -0.628 1.00 0.00 C ATOM 7 CD GLU A 1 -1.004 15.313 -0.924 1.00 0.00 C ATOM 8 OE1 GLU A 1 -1.570 15.294 -2.003 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.062 16.160 -0.046 1.00 0.00 O ATOM 0 H1 GLU A 1 1.256 12.339 0.674 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.911 12.026 0.465 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.371 13.619 0.692 1.00 0.00 H new ATOM 0 HA GLU A 1 1.415 12.023 -1.630 1.00 0.00 H new ATOM 0 HB2 GLU A 1 1.843 15.037 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.040 14.356 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.639 13.195 -0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.104 14.074 0.439 1.00 0.00 H new ATOM 18 N GLN A 2 4.343 13.422 -1.393 1.00 0.00 N ATOM 19 CA GLN A 2 5.723 13.462 -1.983 1.00 0.00 C ATOM 20 C GLN A 2 6.784 12.957 -0.975 1.00 0.00 C ATOM 21 O GLN A 2 7.219 13.724 -0.137 1.00 0.00 O ATOM 22 CB GLN A 2 6.041 14.920 -2.390 1.00 0.00 C ATOM 23 CG GLN A 2 7.476 14.972 -3.018 1.00 0.00 C ATOM 24 CD GLN A 2 7.867 16.396 -3.378 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.558 16.874 -4.537 1.00 0.00 O flip ATOM 26 NE2 GLN A 2 8.460 17.111 -2.605 1.00 0.00 N flip ATOM 0 H GLN A 2 4.257 13.917 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 2 5.754 12.805 -2.852 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.303 15.281 -3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 2 5.987 15.574 -1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.199 14.560 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.508 14.347 -3.910 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.718 16.761 -1.682 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.703 18.064 -2.875 1.00 0.00 H new ATOM 35 N ALA A 3 7.175 11.708 -1.054 1.00 0.00 N ATOM 36 CA ALA A 3 8.206 11.202 -0.092 1.00 0.00 C ATOM 37 C ALA A 3 9.304 10.416 -0.842 1.00 0.00 C ATOM 38 O ALA A 3 9.001 9.645 -1.737 1.00 0.00 O ATOM 39 CB ALA A 3 7.474 10.312 0.938 1.00 0.00 C ATOM 0 H ALA A 3 6.832 11.026 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 3 8.704 12.027 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.193 9.923 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.721 10.903 1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.991 9.482 0.423 1.00 0.00 H new ATOM 45 N ASN A 4 10.548 10.619 -0.483 1.00 0.00 N ATOM 46 CA ASN A 4 11.670 9.878 -1.160 1.00 0.00 C ATOM 47 C ASN A 4 12.544 9.181 -0.109 1.00 0.00 C ATOM 48 O ASN A 4 12.331 9.365 1.073 1.00 0.00 O ATOM 49 CB ASN A 4 12.516 10.869 -2.003 1.00 0.00 C ATOM 50 CG ASN A 4 12.917 12.115 -1.236 1.00 0.00 C ATOM 51 OD1 ASN A 4 12.895 12.216 -0.030 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.309 13.141 -1.912 1.00 0.00 N ATOM 0 H ASN A 4 10.840 11.266 0.250 1.00 0.00 H new ATOM 0 HA ASN A 4 11.256 9.119 -1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.414 10.362 -2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.948 11.161 -2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.586 13.995 -1.428 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.343 13.098 -2.931 1.00 0.00 H new ATOM 59 N ASP A 5 13.488 8.410 -0.580 1.00 0.00 N ATOM 60 CA ASP A 5 14.440 7.633 0.270 1.00 0.00 C ATOM 61 C ASP A 5 13.667 7.176 1.524 1.00 0.00 C ATOM 62 O ASP A 5 14.077 7.341 2.655 1.00 0.00 O ATOM 63 CB ASP A 5 15.603 8.615 0.534 1.00 0.00 C ATOM 64 CG ASP A 5 16.169 9.069 -0.808 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.755 8.210 -1.439 1.00 0.00 O ATOM 66 OD2 ASP A 5 15.981 10.233 -1.121 1.00 0.00 O ATOM 0 H ASP A 5 13.645 8.281 -1.580 1.00 0.00 H new ATOM 0 HA ASP A 5 14.848 6.723 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.251 9.473 1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.379 8.132 1.128 1.00 0.00 H new ATOM 71 N VAL A 6 12.539 6.570 1.237 1.00 0.00 N ATOM 72 CA VAL A 6 11.636 6.069 2.321 1.00 0.00 C ATOM 73 C VAL A 6 11.892 4.604 2.615 1.00 0.00 C ATOM 74 O VAL A 6 11.869 3.780 1.714 1.00 0.00 O ATOM 75 CB VAL A 6 10.150 6.215 1.898 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.218 5.968 3.111 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.853 7.597 1.333 1.00 0.00 C ATOM 0 H VAL A 6 12.203 6.400 0.289 1.00 0.00 H new ATOM 0 HA VAL A 6 11.842 6.665 3.210 1.00 0.00 H new ATOM 0 HB VAL A 6 9.967 5.472 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.179 6.074 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.381 4.961 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.438 6.695 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.802 7.656 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.068 8.353 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.476 7.773 0.456 1.00 0.00 H new ATOM 87 N ARG A 7 12.132 4.312 3.869 1.00 0.00 N ATOM 88 CA ARG A 7 12.392 2.895 4.261 1.00 0.00 C ATOM 89 C ARG A 7 11.023 2.220 4.165 1.00 0.00 C ATOM 90 O ARG A 7 10.169 2.386 5.015 1.00 0.00 O ATOM 91 CB ARG A 7 12.947 2.841 5.717 1.00 0.00 C ATOM 92 CG ARG A 7 13.168 1.350 6.156 1.00 0.00 C ATOM 93 CD ARG A 7 14.369 0.685 5.445 1.00 0.00 C ATOM 94 NE ARG A 7 15.473 0.568 6.463 1.00 0.00 N ATOM 95 CZ ARG A 7 16.687 0.895 6.227 1.00 0.00 C ATOM 96 NH1 ARG A 7 17.033 2.111 6.342 1.00 0.00 N ATOM 97 NH2 ARG A 7 17.490 -0.025 5.875 1.00 0.00 N ATOM 0 H ARG A 7 12.159 4.988 4.632 1.00 0.00 H new ATOM 0 HA ARG A 7 13.132 2.404 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.887 3.389 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.250 3.329 6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.325 1.313 7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.265 0.777 5.946 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.094 -0.297 5.060 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.692 1.283 4.593 1.00 0.00 H new ATOM 0 HE ARG A 7 15.240 0.209 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.346 2.813 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.998 2.386 6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.159 -0.986 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.466 0.197 5.678 1.00 0.00 H new ATOM 111 N ALA A 8 10.880 1.474 3.106 1.00 0.00 N ATOM 112 CA ALA A 8 9.619 0.752 2.857 1.00 0.00 C ATOM 113 C ALA A 8 9.891 -0.723 3.187 1.00 0.00 C ATOM 114 O ALA A 8 11.003 -1.210 3.262 1.00 0.00 O ATOM 115 CB ALA A 8 9.243 0.977 1.368 1.00 0.00 C ATOM 0 H ALA A 8 11.599 1.337 2.396 1.00 0.00 H new ATOM 0 HA ALA A 8 8.783 1.097 3.466 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.312 0.456 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.116 2.043 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.037 0.590 0.730 1.00 0.00 H new ATOM 121 N THR A 9 8.834 -1.430 3.380 1.00 0.00 N ATOM 122 CA THR A 9 8.960 -2.879 3.711 1.00 0.00 C ATOM 123 C THR A 9 8.806 -3.624 2.381 1.00 0.00 C ATOM 124 O THR A 9 9.231 -3.114 1.362 1.00 0.00 O ATOM 125 CB THR A 9 7.853 -3.205 4.747 1.00 0.00 C ATOM 126 OG1 THR A 9 6.624 -2.813 4.170 1.00 0.00 O ATOM 127 CG2 THR A 9 7.887 -2.255 5.947 1.00 0.00 C ATOM 0 H THR A 9 7.878 -1.077 3.325 1.00 0.00 H new ATOM 0 HA THR A 9 9.911 -3.170 4.157 1.00 0.00 H new ATOM 0 HB THR A 9 7.979 -4.252 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.744 -2.674 3.207 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.094 -2.522 6.645 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.852 -2.335 6.447 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.739 -1.231 5.605 1.00 0.00 H new ATOM 135 N TYR A 10 8.239 -4.803 2.376 1.00 0.00 N ATOM 136 CA TYR A 10 8.087 -5.516 1.066 1.00 0.00 C ATOM 137 C TYR A 10 6.727 -6.311 1.013 1.00 0.00 C ATOM 138 O TYR A 10 6.705 -7.504 0.821 1.00 0.00 O ATOM 139 CB TYR A 10 9.441 -6.407 0.937 1.00 0.00 C ATOM 140 CG TYR A 10 9.214 -7.921 0.834 1.00 0.00 C ATOM 141 CD1 TYR A 10 8.904 -8.452 -0.404 1.00 0.00 C ATOM 142 CD2 TYR A 10 9.270 -8.758 1.924 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.648 -9.797 -0.563 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.013 -10.114 1.766 1.00 0.00 C ATOM 145 CZ TYR A 10 8.701 -10.637 0.527 1.00 0.00 C ATOM 146 OH TYR A 10 8.427 -11.981 0.405 1.00 0.00 O ATOM 0 H TYR A 10 7.883 -5.294 3.196 1.00 0.00 H new ATOM 0 HA TYR A 10 8.006 -4.859 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 10 9.993 -6.077 0.057 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.073 -6.208 1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.862 -7.800 -1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.513 -8.362 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.407 -10.191 -1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.058 -10.768 2.624 1.00 0.00 H new ATOM 0 HH TYR A 10 8.516 -12.414 1.280 1.00 0.00 H new ATOM 156 N HIS A 11 5.580 -5.698 1.182 1.00 0.00 N ATOM 157 CA HIS A 11 4.334 -6.566 1.103 1.00 0.00 C ATOM 158 C HIS A 11 3.264 -5.978 0.180 1.00 0.00 C ATOM 159 O HIS A 11 2.847 -4.831 0.279 1.00 0.00 O ATOM 160 CB HIS A 11 3.735 -6.785 2.532 1.00 0.00 C ATOM 161 CG HIS A 11 3.074 -8.165 2.601 1.00 0.00 C ATOM 162 ND1 HIS A 11 3.710 -9.285 2.710 1.00 0.00 N ATOM 163 CD2 HIS A 11 1.740 -8.534 2.558 1.00 0.00 C ATOM 164 CE1 HIS A 11 2.864 -10.269 2.733 1.00 0.00 C ATOM 165 NE2 HIS A 11 1.630 -9.844 2.641 1.00 0.00 N ATOM 0 H HIS A 11 5.440 -4.703 1.360 1.00 0.00 H new ATOM 0 HA HIS A 11 4.642 -7.522 0.678 1.00 0.00 H new ATOM 0 HB2 HIS A 11 4.521 -6.708 3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.004 -6.008 2.755 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.911 -7.848 2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 11 3.144 -11.309 2.818 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.776 -10.401 2.635 1.00 0.00 H new ATOM 173 N TYR A 12 2.886 -6.862 -0.702 1.00 0.00 N ATOM 174 CA TYR A 12 1.861 -6.586 -1.729 1.00 0.00 C ATOM 175 C TYR A 12 0.748 -7.640 -1.689 1.00 0.00 C ATOM 176 O TYR A 12 0.919 -8.821 -1.949 1.00 0.00 O ATOM 177 CB TYR A 12 2.582 -6.526 -3.100 1.00 0.00 C ATOM 178 CG TYR A 12 3.685 -7.565 -3.215 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.414 -8.865 -3.554 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.981 -7.187 -2.974 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.429 -9.789 -3.653 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.995 -8.109 -3.073 1.00 0.00 C ATOM 183 CZ TYR A 12 5.720 -9.408 -3.412 1.00 0.00 C ATOM 184 OH TYR A 12 6.741 -10.321 -3.525 1.00 0.00 O ATOM 0 H TYR A 12 3.269 -7.806 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 12 1.367 -5.633 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.855 -6.680 -3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.006 -5.532 -3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.395 -9.167 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.205 -6.165 -2.706 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.207 -10.812 -3.920 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.015 -7.808 -2.883 1.00 0.00 H new ATOM 0 HH TYR A 12 7.594 -9.885 -3.320 1.00 0.00 H new ATOM 194 N TYR A 13 -0.383 -7.117 -1.319 1.00 0.00 N ATOM 195 CA TYR A 13 -1.624 -7.926 -1.212 1.00 0.00 C ATOM 196 C TYR A 13 -1.960 -8.173 -2.708 1.00 0.00 C ATOM 197 O TYR A 13 -1.756 -7.296 -3.546 1.00 0.00 O ATOM 198 CB TYR A 13 -2.727 -7.074 -0.528 1.00 0.00 C ATOM 199 CG TYR A 13 -3.534 -7.748 0.583 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.925 -8.387 1.645 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.917 -7.684 0.532 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.691 -8.952 2.646 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.679 -8.250 1.534 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.069 -8.882 2.589 1.00 0.00 C ATOM 205 OH TYR A 13 -5.837 -9.439 3.581 1.00 0.00 O ATOM 0 H TYR A 13 -0.502 -6.133 -1.079 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.534 -8.842 -0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.258 -6.182 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.423 -6.739 -1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.848 -8.445 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.402 -7.189 -0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.211 -9.450 3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.757 -8.196 1.488 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.785 -9.295 3.380 1.00 0.00 H new ATOM 215 N ARG A 14 -2.472 -9.371 -2.897 1.00 0.00 N ATOM 216 CA ARG A 14 -2.903 -9.931 -4.224 1.00 0.00 C ATOM 217 C ARG A 14 -4.385 -10.486 -4.251 1.00 0.00 C ATOM 218 O ARG A 14 -4.661 -11.623 -4.623 1.00 0.00 O ATOM 219 CB ARG A 14 -1.878 -11.039 -4.558 1.00 0.00 C ATOM 220 CG ARG A 14 -1.849 -12.026 -3.388 1.00 0.00 C ATOM 221 CD ARG A 14 -1.011 -13.259 -3.656 1.00 0.00 C ATOM 222 NE ARG A 14 -1.001 -13.873 -2.290 1.00 0.00 N ATOM 223 CZ ARG A 14 -1.746 -14.857 -1.964 1.00 0.00 C ATOM 224 NH1 ARG A 14 -2.877 -15.010 -2.539 1.00 0.00 N ATOM 225 NH2 ARG A 14 -1.297 -15.624 -1.058 1.00 0.00 N ATOM 0 H ARG A 14 -2.617 -10.026 -2.128 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.918 -9.135 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -2.156 -11.549 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.890 -10.608 -4.717 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.461 -11.518 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.869 -12.333 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.460 -13.913 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.010 -13.013 -4.009 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.370 -13.487 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.179 -14.348 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.477 -15.794 -2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.388 -15.436 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.845 -16.428 -0.753 1.00 0.00 H new ATOM 239 N PRO A 15 -5.300 -9.638 -3.843 1.00 0.00 N ATOM 240 CA PRO A 15 -6.747 -9.788 -4.146 1.00 0.00 C ATOM 241 C PRO A 15 -7.071 -10.582 -5.396 1.00 0.00 C ATOM 242 O PRO A 15 -7.915 -11.452 -5.348 1.00 0.00 O ATOM 243 CB PRO A 15 -7.204 -8.352 -4.170 1.00 0.00 C ATOM 244 CG PRO A 15 -6.505 -7.824 -2.915 1.00 0.00 C ATOM 245 CD PRO A 15 -5.074 -8.398 -3.041 1.00 0.00 C ATOM 0 HA PRO A 15 -7.273 -10.399 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.888 -7.830 -5.073 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.289 -8.260 -4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.501 -6.734 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.998 -8.166 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.400 -7.705 -3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.636 -8.617 -2.067 1.00 0.00 H new ATOM 253 N ALA A 16 -6.415 -10.272 -6.486 1.00 0.00 N ATOM 254 CA ALA A 16 -6.660 -10.996 -7.773 1.00 0.00 C ATOM 255 C ALA A 16 -6.977 -12.507 -7.650 1.00 0.00 C ATOM 256 O ALA A 16 -7.679 -12.992 -8.514 1.00 0.00 O ATOM 257 CB ALA A 16 -5.426 -10.723 -8.664 1.00 0.00 C ATOM 0 H ALA A 16 -5.710 -9.537 -6.540 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.580 -10.613 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.549 -11.229 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.328 -9.650 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.530 -11.097 -8.169 1.00 0.00 H new ATOM 263 N GLN A 17 -6.488 -13.225 -6.651 1.00 0.00 N ATOM 264 CA GLN A 17 -6.818 -14.708 -6.534 1.00 0.00 C ATOM 265 C GLN A 17 -8.317 -14.926 -6.859 1.00 0.00 C ATOM 266 O GLN A 17 -8.653 -15.814 -7.613 1.00 0.00 O ATOM 267 CB GLN A 17 -6.523 -15.233 -5.083 1.00 0.00 C ATOM 268 CG GLN A 17 -6.203 -16.804 -5.098 1.00 0.00 C ATOM 269 CD GLN A 17 -7.338 -17.761 -5.522 1.00 0.00 C ATOM 270 OE1 GLN A 17 -8.161 -18.183 -4.741 1.00 0.00 O ATOM 271 NE2 GLN A 17 -7.429 -18.143 -6.751 1.00 0.00 N ATOM 0 H GLN A 17 -5.881 -12.859 -5.917 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.195 -15.259 -7.239 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.678 -14.690 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.381 -15.039 -4.440 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.358 -16.968 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.878 -17.090 -4.098 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.755 -17.810 -7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.175 -18.778 -7.034 1.00 0.00 H new ATOM 280 N ASN A 18 -9.185 -14.115 -6.297 1.00 0.00 N ATOM 281 CA ASN A 18 -10.653 -14.264 -6.576 1.00 0.00 C ATOM 282 C ASN A 18 -11.057 -13.026 -7.422 1.00 0.00 C ATOM 283 O ASN A 18 -11.830 -12.180 -7.011 1.00 0.00 O ATOM 284 CB ASN A 18 -11.397 -14.322 -5.213 1.00 0.00 C ATOM 285 CG ASN A 18 -12.812 -14.925 -5.367 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.796 -14.238 -5.507 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.978 -16.213 -5.355 1.00 0.00 N ATOM 0 H ASN A 18 -8.942 -13.358 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.905 -15.172 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.820 -14.920 -4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.471 -13.318 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.912 -16.608 -5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.174 -16.830 -5.239 1.00 0.00 H new ATOM 294 N ASN A 19 -10.470 -12.975 -8.601 1.00 0.00 N ATOM 295 CA ASN A 19 -10.679 -11.886 -9.635 1.00 0.00 C ATOM 296 C ASN A 19 -10.803 -10.489 -8.953 1.00 0.00 C ATOM 297 O ASN A 19 -11.512 -9.608 -9.399 1.00 0.00 O ATOM 298 CB ASN A 19 -11.962 -12.347 -10.409 1.00 0.00 C ATOM 299 CG ASN A 19 -12.244 -11.616 -11.726 1.00 0.00 C ATOM 300 OD1 ASN A 19 -13.237 -10.946 -11.897 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.419 -11.695 -12.722 1.00 0.00 N ATOM 0 H ASN A 19 -9.811 -13.690 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.843 -11.758 -10.323 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.874 -13.413 -10.619 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.824 -12.221 -9.754 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.623 -11.206 -13.594 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.565 -12.246 -12.635 1.00 0.00 H new ATOM 308 N TRP A 20 -10.075 -10.402 -7.867 1.00 0.00 N ATOM 309 CA TRP A 20 -9.981 -9.209 -6.980 1.00 0.00 C ATOM 310 C TRP A 20 -11.237 -8.361 -6.959 1.00 0.00 C ATOM 311 O TRP A 20 -11.251 -7.163 -7.168 1.00 0.00 O ATOM 312 CB TRP A 20 -8.700 -8.286 -7.308 1.00 0.00 C ATOM 313 CG TRP A 20 -8.326 -7.703 -8.685 1.00 0.00 C ATOM 314 CD1 TRP A 20 -9.103 -7.655 -9.777 1.00 0.00 C ATOM 315 CD2 TRP A 20 -7.111 -7.150 -8.983 1.00 0.00 C ATOM 316 NE1 TRP A 20 -8.316 -7.086 -10.689 1.00 0.00 N ATOM 317 CE2 TRP A 20 -7.093 -6.742 -10.304 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.983 -6.934 -8.200 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.937 -6.133 -10.791 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.868 -6.321 -8.737 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.849 -5.930 -10.019 1.00 0.00 C ATOM 0 H TRP A 20 -9.499 -11.178 -7.541 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.857 -9.630 -5.982 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.776 -7.430 -6.638 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -7.833 -8.864 -6.989 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.122 -7.996 -9.890 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.639 -6.922 -11.642 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.978 -7.247 -7.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.912 -5.813 -11.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -4.000 -6.155 -8.116 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.970 -5.456 -10.431 1.00 0.00 H new ATOM 332 N ASP A 21 -12.339 -9.010 -6.708 1.00 0.00 N ATOM 333 CA ASP A 21 -13.555 -8.190 -6.667 1.00 0.00 C ATOM 334 C ASP A 21 -13.538 -7.507 -5.294 1.00 0.00 C ATOM 335 O ASP A 21 -14.015 -8.037 -4.313 1.00 0.00 O ATOM 336 CB ASP A 21 -14.828 -9.015 -6.765 1.00 0.00 C ATOM 337 CG ASP A 21 -15.914 -7.935 -6.863 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.986 -7.377 -7.948 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.566 -7.710 -5.865 1.00 0.00 O ATOM 0 H ASP A 21 -12.441 -10.011 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.558 -7.500 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.823 -9.667 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.967 -9.653 -5.892 1.00 0.00 H new ATOM 344 N LEU A 22 -12.937 -6.346 -5.271 1.00 0.00 N ATOM 345 CA LEU A 22 -12.816 -5.498 -4.059 1.00 0.00 C ATOM 346 C LEU A 22 -13.915 -5.738 -3.008 1.00 0.00 C ATOM 347 O LEU A 22 -13.642 -5.634 -1.828 1.00 0.00 O ATOM 348 CB LEU A 22 -12.814 -4.051 -4.545 1.00 0.00 C ATOM 349 CG LEU A 22 -11.597 -3.737 -5.465 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.746 -2.289 -5.940 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.308 -3.802 -4.607 1.00 0.00 C ATOM 0 H LEU A 22 -12.502 -5.934 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.895 -5.754 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.738 -3.851 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.799 -3.381 -3.685 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.550 -4.438 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.909 -2.031 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.680 -2.181 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.755 -1.622 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.443 -3.585 -5.233 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.368 -3.068 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.205 -4.799 -4.180 1.00 0.00 H new ATOM 363 N GLY A 23 -15.118 -6.068 -3.425 1.00 0.00 N ATOM 364 CA GLY A 23 -16.217 -6.313 -2.432 1.00 0.00 C ATOM 365 C GLY A 23 -16.135 -7.749 -1.900 1.00 0.00 C ATOM 366 O GLY A 23 -17.139 -8.352 -1.580 1.00 0.00 O ATOM 0 H GLY A 23 -15.385 -6.178 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.136 -5.606 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.186 -6.146 -2.902 1.00 0.00 H new ATOM 370 N ALA A 24 -14.933 -8.257 -1.829 1.00 0.00 N ATOM 371 CA ALA A 24 -14.643 -9.642 -1.336 1.00 0.00 C ATOM 372 C ALA A 24 -14.406 -9.649 0.210 1.00 0.00 C ATOM 373 O ALA A 24 -13.627 -8.853 0.715 1.00 0.00 O ATOM 374 CB ALA A 24 -13.405 -10.152 -2.117 1.00 0.00 C ATOM 0 H ALA A 24 -14.097 -7.742 -2.107 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.491 -10.304 -1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.158 -11.161 -1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.627 -10.162 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.559 -9.492 -1.929 1.00 0.00 H new ATOM 380 N PRO A 25 -15.060 -10.532 0.933 1.00 0.00 N ATOM 381 CA PRO A 25 -15.235 -10.441 2.423 1.00 0.00 C ATOM 382 C PRO A 25 -14.147 -9.733 3.287 1.00 0.00 C ATOM 383 O PRO A 25 -14.419 -8.772 3.973 1.00 0.00 O ATOM 384 CB PRO A 25 -15.462 -11.927 2.867 1.00 0.00 C ATOM 385 CG PRO A 25 -15.399 -12.764 1.555 1.00 0.00 C ATOM 386 CD PRO A 25 -15.693 -11.775 0.413 1.00 0.00 C ATOM 0 HA PRO A 25 -16.061 -9.756 2.613 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.697 -12.247 3.574 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.425 -12.046 3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.419 -13.224 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.131 -13.572 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.254 -12.096 -0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.762 -11.651 0.242 1.00 0.00 H new ATOM 394 N ALA A 26 -12.946 -10.246 3.236 1.00 0.00 N ATOM 395 CA ALA A 26 -11.790 -9.684 4.017 1.00 0.00 C ATOM 396 C ALA A 26 -10.936 -8.586 3.335 1.00 0.00 C ATOM 397 O ALA A 26 -9.826 -8.325 3.759 1.00 0.00 O ATOM 398 CB ALA A 26 -10.933 -10.923 4.432 1.00 0.00 C ATOM 0 H ALA A 26 -12.706 -11.058 2.668 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.193 -9.126 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.069 -10.591 5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.537 -11.596 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.595 -11.447 3.538 1.00 0.00 H new ATOM 404 N VAL A 27 -11.457 -7.982 2.303 1.00 0.00 N ATOM 405 CA VAL A 27 -10.702 -6.906 1.576 1.00 0.00 C ATOM 406 C VAL A 27 -11.327 -5.511 1.693 1.00 0.00 C ATOM 407 O VAL A 27 -10.780 -4.592 2.266 1.00 0.00 O ATOM 408 CB VAL A 27 -10.629 -7.237 0.060 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.541 -6.339 -0.547 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.237 -8.720 -0.188 1.00 0.00 C ATOM 0 H VAL A 27 -12.382 -8.185 1.924 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.720 -6.884 2.049 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.607 -7.069 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.457 -6.540 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.806 -5.293 -0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.587 -6.546 -0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.197 -8.911 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.260 -8.917 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.979 -9.374 0.270 1.00 0.00 H new ATOM 420 N SER A 28 -12.493 -5.454 1.120 1.00 0.00 N ATOM 421 CA SER A 28 -13.345 -4.233 1.052 1.00 0.00 C ATOM 422 C SER A 28 -12.557 -2.888 0.920 1.00 0.00 C ATOM 423 O SER A 28 -12.343 -2.167 1.879 1.00 0.00 O ATOM 424 CB SER A 28 -14.244 -4.201 2.312 1.00 0.00 C ATOM 425 OG SER A 28 -13.341 -4.079 3.408 1.00 0.00 O ATOM 0 H SER A 28 -12.918 -6.262 0.665 1.00 0.00 H new ATOM 0 HA SER A 28 -13.930 -4.305 0.135 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.940 -3.363 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.842 -5.109 2.393 1.00 0.00 H new ATOM 0 HG SER A 28 -12.757 -3.305 3.266 1.00 0.00 H new ATOM 431 N ALA A 29 -12.164 -2.580 -0.292 1.00 0.00 N ATOM 432 CA ALA A 29 -11.384 -1.311 -0.548 1.00 0.00 C ATOM 433 C ALA A 29 -12.231 -0.031 -0.709 1.00 0.00 C ATOM 434 O ALA A 29 -13.303 -0.063 -1.279 1.00 0.00 O ATOM 435 CB ALA A 29 -10.558 -1.583 -1.801 1.00 0.00 C ATOM 0 H ALA A 29 -12.346 -3.147 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.776 -1.092 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.966 -0.701 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.893 -2.428 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.224 -1.814 -2.633 1.00 0.00 H new ATOM 441 N TYR A 30 -11.719 1.068 -0.209 1.00 0.00 N ATOM 442 CA TYR A 30 -12.413 2.399 -0.285 1.00 0.00 C ATOM 443 C TYR A 30 -13.434 2.691 -1.394 1.00 0.00 C ATOM 444 O TYR A 30 -14.619 2.769 -1.141 1.00 0.00 O ATOM 445 CB TYR A 30 -11.328 3.501 -0.331 1.00 0.00 C ATOM 446 CG TYR A 30 -11.443 4.469 0.849 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.674 4.946 1.268 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.306 4.899 1.491 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.759 5.846 2.312 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.403 5.799 2.533 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.623 6.276 2.943 1.00 0.00 C ATOM 452 OH TYR A 30 -11.709 7.175 3.979 1.00 0.00 O ATOM 0 H TYR A 30 -10.817 1.100 0.266 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.044 2.378 0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.341 3.038 -0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.415 4.056 -1.265 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.574 4.611 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.338 4.533 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.724 6.211 2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.506 6.133 3.033 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.810 7.374 4.315 1.00 0.00 H new ATOM 462 N CYS A 31 -12.950 2.830 -2.593 1.00 0.00 N ATOM 463 CA CYS A 31 -13.874 3.121 -3.720 1.00 0.00 C ATOM 464 C CYS A 31 -14.654 1.889 -4.169 1.00 0.00 C ATOM 465 O CYS A 31 -15.558 2.020 -4.959 1.00 0.00 O ATOM 466 CB CYS A 31 -13.033 3.690 -4.877 1.00 0.00 C ATOM 467 SG CYS A 31 -12.312 5.341 -4.686 1.00 0.00 S ATOM 0 H CYS A 31 -11.963 2.756 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.622 3.843 -3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.218 2.992 -5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.660 3.702 -5.769 1.00 0.00 H new ATOM 472 N ALA A 32 -14.341 0.709 -3.682 1.00 0.00 N ATOM 473 CA ALA A 32 -15.093 -0.525 -4.120 1.00 0.00 C ATOM 474 C ALA A 32 -16.606 -0.253 -4.273 1.00 0.00 C ATOM 475 O ALA A 32 -17.141 -0.402 -5.348 1.00 0.00 O ATOM 476 CB ALA A 32 -14.847 -1.647 -3.084 1.00 0.00 C ATOM 0 H ALA A 32 -13.600 0.542 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.726 -0.830 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.384 -2.546 -3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.780 -1.863 -3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.203 -1.324 -2.106 1.00 0.00 H new ATOM 482 N THR A 33 -17.232 0.138 -3.199 1.00 0.00 N ATOM 483 CA THR A 33 -18.707 0.451 -3.180 1.00 0.00 C ATOM 484 C THR A 33 -19.193 1.325 -4.356 1.00 0.00 C ATOM 485 O THR A 33 -20.352 1.304 -4.718 1.00 0.00 O ATOM 486 CB THR A 33 -19.011 1.151 -1.848 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.712 0.173 -0.864 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.482 1.356 -1.589 1.00 0.00 C ATOM 0 H THR A 33 -16.773 0.261 -2.296 1.00 0.00 H new ATOM 0 HA THR A 33 -19.245 -0.491 -3.288 1.00 0.00 H new ATOM 0 HB THR A 33 -18.477 2.101 -1.846 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.879 0.544 0.027 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.616 1.856 -0.630 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.909 1.971 -2.382 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.986 0.390 -1.568 1.00 0.00 H new ATOM 496 N TRP A 34 -18.278 2.069 -4.914 1.00 0.00 N ATOM 497 CA TRP A 34 -18.548 2.992 -6.062 1.00 0.00 C ATOM 498 C TRP A 34 -17.919 2.563 -7.410 1.00 0.00 C ATOM 499 O TRP A 34 -18.485 2.835 -8.454 1.00 0.00 O ATOM 500 CB TRP A 34 -18.053 4.373 -5.550 1.00 0.00 C ATOM 501 CG TRP A 34 -18.989 4.801 -4.406 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.345 4.941 -4.486 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.599 5.076 -3.153 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.670 5.291 -3.254 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.682 5.398 -2.378 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.334 5.068 -2.618 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.496 5.711 -1.049 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.137 5.382 -1.289 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.223 5.703 -0.500 1.00 0.00 C ATOM 0 H TRP A 34 -17.305 2.076 -4.607 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.606 2.997 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -17.023 4.306 -5.199 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -18.068 5.109 -6.354 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.990 4.801 -5.341 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.638 5.471 -2.989 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.489 4.815 -3.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.346 5.964 -0.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.142 5.377 -0.870 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.081 5.947 0.542 1.00 0.00 H new ATOM 520 N ASP A 35 -16.796 1.906 -7.361 1.00 0.00 N ATOM 521 CA ASP A 35 -16.026 1.408 -8.544 1.00 0.00 C ATOM 522 C ASP A 35 -16.163 -0.096 -8.877 1.00 0.00 C ATOM 523 O ASP A 35 -16.001 -0.462 -10.021 1.00 0.00 O ATOM 524 CB ASP A 35 -14.565 1.750 -8.267 1.00 0.00 C ATOM 525 CG ASP A 35 -14.294 3.246 -8.131 1.00 0.00 C ATOM 526 OD1 ASP A 35 -15.179 3.998 -7.766 1.00 0.00 O ATOM 527 OD2 ASP A 35 -13.158 3.559 -8.407 1.00 0.00 O ATOM 0 H ASP A 35 -16.344 1.676 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 35 -16.440 1.894 -9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.253 1.250 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.950 1.351 -9.074 1.00 0.00 H new ATOM 532 N ALA A 36 -16.455 -0.935 -7.915 1.00 0.00 N ATOM 533 CA ALA A 36 -16.603 -2.420 -8.147 1.00 0.00 C ATOM 534 C ALA A 36 -17.652 -2.788 -9.218 1.00 0.00 C ATOM 535 O ALA A 36 -17.804 -3.923 -9.620 1.00 0.00 O ATOM 536 CB ALA A 36 -16.954 -3.062 -6.791 1.00 0.00 C ATOM 0 H ALA A 36 -16.603 -0.651 -6.947 1.00 0.00 H new ATOM 0 HA ALA A 36 -15.662 -2.802 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.070 -4.138 -6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -16.155 -2.864 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.887 -2.638 -6.418 1.00 0.00 H new ATOM 542 N SER A 37 -18.341 -1.770 -9.641 1.00 0.00 N ATOM 543 CA SER A 37 -19.423 -1.808 -10.674 1.00 0.00 C ATOM 544 C SER A 37 -18.832 -1.599 -12.086 1.00 0.00 C ATOM 545 O SER A 37 -19.455 -1.905 -13.083 1.00 0.00 O ATOM 546 CB SER A 37 -20.400 -0.682 -10.330 1.00 0.00 C ATOM 547 OG SER A 37 -19.532 0.457 -10.327 1.00 0.00 O ATOM 0 H SER A 37 -18.183 -0.829 -9.280 1.00 0.00 H new ATOM 0 HA SER A 37 -19.927 -2.775 -10.675 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.196 -0.589 -11.069 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.879 -0.835 -9.363 1.00 0.00 H new ATOM 0 HG SER A 37 -20.049 1.262 -10.116 1.00 0.00 H new ATOM 553 N LYS A 38 -17.642 -1.063 -12.104 1.00 0.00 N ATOM 554 CA LYS A 38 -16.862 -0.767 -13.338 1.00 0.00 C ATOM 555 C LYS A 38 -15.995 -1.955 -13.794 1.00 0.00 C ATOM 556 O LYS A 38 -15.332 -2.561 -12.971 1.00 0.00 O ATOM 557 CB LYS A 38 -15.962 0.426 -13.056 1.00 0.00 C ATOM 558 CG LYS A 38 -16.742 1.639 -12.511 1.00 0.00 C ATOM 559 CD LYS A 38 -15.664 2.736 -12.254 1.00 0.00 C ATOM 560 CE LYS A 38 -16.264 3.996 -11.626 1.00 0.00 C ATOM 561 NZ LYS A 38 -17.271 4.544 -12.597 1.00 0.00 N ATOM 0 H LYS A 38 -17.149 -0.802 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.569 -0.559 -14.141 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.196 0.137 -12.336 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.446 0.712 -13.972 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.489 1.981 -13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.273 1.386 -11.593 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.891 2.337 -11.597 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.180 2.996 -13.195 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.738 3.762 -10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.486 4.732 -11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.513 5.520 -12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.869 4.535 -13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.129 3.957 -12.576 1.00 0.00 H new ATOM 575 N PRO A 39 -15.985 -2.263 -15.072 1.00 0.00 N ATOM 576 CA PRO A 39 -15.230 -3.443 -15.582 1.00 0.00 C ATOM 577 C PRO A 39 -13.743 -3.555 -15.118 1.00 0.00 C ATOM 578 O PRO A 39 -13.079 -2.628 -14.682 1.00 0.00 O ATOM 579 CB PRO A 39 -15.433 -3.330 -17.127 1.00 0.00 C ATOM 580 CG PRO A 39 -15.759 -1.826 -17.350 1.00 0.00 C ATOM 581 CD PRO A 39 -16.670 -1.510 -16.164 1.00 0.00 C ATOM 0 HA PRO A 39 -15.603 -4.380 -15.168 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.537 -3.630 -17.671 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.245 -3.971 -17.472 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.860 -1.210 -17.347 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.259 -1.655 -18.303 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.723 -0.441 -15.958 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.691 -1.855 -16.325 1.00 0.00 H new ATOM 589 N LEU A 40 -13.242 -4.754 -15.242 1.00 0.00 N ATOM 590 CA LEU A 40 -11.843 -5.065 -14.852 1.00 0.00 C ATOM 591 C LEU A 40 -10.799 -4.188 -15.531 1.00 0.00 C ATOM 592 O LEU A 40 -9.719 -3.994 -15.002 1.00 0.00 O ATOM 593 CB LEU A 40 -11.689 -6.545 -15.151 1.00 0.00 C ATOM 594 CG LEU A 40 -12.324 -7.342 -13.998 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.526 -8.788 -14.436 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.339 -7.362 -12.811 1.00 0.00 C ATOM 0 H LEU A 40 -13.762 -5.551 -15.608 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.663 -4.844 -13.800 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.173 -6.793 -16.095 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.635 -6.803 -15.255 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.274 -6.883 -13.722 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.976 -9.356 -13.621 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.184 -8.817 -15.305 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.563 -9.227 -14.696 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.776 -7.924 -11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.407 -7.836 -13.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.137 -6.341 -12.488 1.00 0.00 H new ATOM 608 N SER A 41 -11.133 -3.688 -16.694 1.00 0.00 N ATOM 609 CA SER A 41 -10.153 -2.805 -17.403 1.00 0.00 C ATOM 610 C SER A 41 -9.713 -1.707 -16.433 1.00 0.00 C ATOM 611 O SER A 41 -8.579 -1.709 -16.011 1.00 0.00 O ATOM 612 CB SER A 41 -10.797 -2.159 -18.624 1.00 0.00 C ATOM 613 OG SER A 41 -9.803 -1.206 -18.996 1.00 0.00 O ATOM 0 H SER A 41 -12.018 -3.846 -17.175 1.00 0.00 H new ATOM 0 HA SER A 41 -9.302 -3.400 -17.733 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.990 -2.882 -19.417 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.750 -1.687 -18.384 1.00 0.00 H new ATOM 0 HG SER A 41 -10.102 -0.714 -19.789 1.00 0.00 H new ATOM 619 N TRP A 42 -10.596 -0.808 -16.073 1.00 0.00 N ATOM 620 CA TRP A 42 -10.187 0.276 -15.127 1.00 0.00 C ATOM 621 C TRP A 42 -9.472 -0.306 -13.879 1.00 0.00 C ATOM 622 O TRP A 42 -8.361 0.091 -13.597 1.00 0.00 O ATOM 623 CB TRP A 42 -11.442 1.055 -14.728 1.00 0.00 C ATOM 624 CG TRP A 42 -11.015 2.302 -13.924 1.00 0.00 C ATOM 625 CD1 TRP A 42 -10.691 3.505 -14.482 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.903 2.403 -12.578 1.00 0.00 C ATOM 627 NE1 TRP A 42 -10.410 4.253 -13.435 1.00 0.00 N ATOM 628 CE2 TRP A 42 -10.505 3.681 -12.248 1.00 0.00 C ATOM 629 CE3 TRP A 42 -11.109 1.487 -11.565 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -10.319 4.047 -10.937 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.922 1.847 -10.245 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.527 3.128 -9.929 1.00 0.00 C ATOM 0 H TRP A 42 -11.566 -0.777 -16.387 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.474 0.941 -15.614 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -12.001 1.351 -15.616 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.102 0.427 -14.130 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.670 3.777 -15.527 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.132 5.229 -13.536 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.419 0.481 -11.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.010 5.053 -10.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.086 1.124 -9.460 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.381 3.412 -8.897 1.00 0.00 H new ATOM 643 N ARG A 43 -10.123 -1.222 -13.195 1.00 0.00 N ATOM 644 CA ARG A 43 -9.528 -1.861 -11.958 1.00 0.00 C ATOM 645 C ARG A 43 -8.021 -2.251 -12.101 1.00 0.00 C ATOM 646 O ARG A 43 -7.201 -1.992 -11.238 1.00 0.00 O ATOM 647 CB ARG A 43 -10.413 -3.112 -11.618 1.00 0.00 C ATOM 648 CG ARG A 43 -11.809 -2.734 -10.976 1.00 0.00 C ATOM 649 CD ARG A 43 -12.699 -4.021 -10.879 1.00 0.00 C ATOM 650 NE ARG A 43 -13.579 -3.959 -9.640 1.00 0.00 N ATOM 651 CZ ARG A 43 -14.149 -5.001 -9.107 1.00 0.00 C ATOM 652 NH1 ARG A 43 -14.423 -6.027 -9.803 1.00 0.00 N ATOM 653 NH2 ARG A 43 -14.462 -5.042 -7.872 1.00 0.00 N ATOM 0 H ARG A 43 -11.053 -1.562 -13.440 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.536 -1.131 -11.149 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.583 -3.687 -12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.868 -3.758 -10.930 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.662 -2.304 -9.985 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.308 -1.977 -11.582 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.320 -4.111 -11.771 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.066 -4.908 -10.840 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.731 -3.050 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.196 -6.044 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.870 -6.834 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.267 -4.242 -7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.908 -5.874 -7.486 1.00 0.00 H new ATOM 667 N SER A 44 -7.692 -2.886 -13.190 1.00 0.00 N ATOM 668 CA SER A 44 -6.265 -3.312 -13.444 1.00 0.00 C ATOM 669 C SER A 44 -5.491 -2.119 -14.125 1.00 0.00 C ATOM 670 O SER A 44 -4.291 -2.001 -13.979 1.00 0.00 O ATOM 671 CB SER A 44 -6.291 -4.520 -14.377 1.00 0.00 C ATOM 672 OG SER A 44 -6.953 -3.983 -15.514 1.00 0.00 O ATOM 0 H SER A 44 -8.349 -3.136 -13.929 1.00 0.00 H new ATOM 0 HA SER A 44 -5.764 -3.575 -12.513 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.289 -4.876 -14.616 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.834 -5.361 -13.945 1.00 0.00 H new ATOM 0 HG SER A 44 -7.920 -4.110 -15.420 1.00 0.00 H new ATOM 678 N LYS A 45 -6.176 -1.275 -14.880 1.00 0.00 N ATOM 679 CA LYS A 45 -5.589 -0.058 -15.602 1.00 0.00 C ATOM 680 C LYS A 45 -4.880 0.739 -14.509 1.00 0.00 C ATOM 681 O LYS A 45 -3.670 0.815 -14.513 1.00 0.00 O ATOM 682 CB LYS A 45 -6.733 0.815 -16.253 1.00 0.00 C ATOM 683 CG LYS A 45 -6.127 2.057 -16.998 1.00 0.00 C ATOM 684 CD LYS A 45 -7.265 3.158 -17.163 1.00 0.00 C ATOM 685 CE LYS A 45 -6.745 4.559 -17.655 1.00 0.00 C ATOM 686 NZ LYS A 45 -6.770 4.639 -19.157 1.00 0.00 N ATOM 0 H LYS A 45 -7.178 -1.381 -15.039 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.918 -0.350 -16.410 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.306 0.208 -16.954 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.426 1.150 -15.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.287 2.463 -16.434 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.743 1.762 -17.974 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.009 2.791 -17.870 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.771 3.287 -16.206 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.364 5.351 -17.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.730 4.723 -17.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.423 5.571 -19.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.160 3.896 -19.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.744 4.505 -19.496 1.00 0.00 H new ATOM 700 N TYR A 46 -5.641 1.294 -13.608 1.00 0.00 N ATOM 701 CA TYR A 46 -5.066 2.087 -12.477 1.00 0.00 C ATOM 702 C TYR A 46 -6.143 2.088 -11.360 1.00 0.00 C ATOM 703 O TYR A 46 -7.173 1.473 -11.522 1.00 0.00 O ATOM 704 CB TYR A 46 -4.682 3.556 -12.899 1.00 0.00 C ATOM 705 CG TYR A 46 -3.499 3.717 -13.924 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.273 3.076 -13.773 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.632 4.547 -15.020 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.229 3.257 -14.672 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.584 4.734 -15.923 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.381 4.089 -15.751 1.00 0.00 C ATOM 711 OH TYR A 46 -0.347 4.277 -16.648 1.00 0.00 O ATOM 0 H TYR A 46 -6.659 1.232 -13.605 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.133 1.637 -12.137 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.567 4.028 -13.326 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.427 4.112 -11.997 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.128 2.417 -12.930 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.567 5.063 -15.182 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.293 2.740 -14.520 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.719 5.393 -16.768 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.632 4.898 -17.350 1.00 0.00 H new ATOM 721 N GLY A 47 -5.942 2.748 -10.248 1.00 0.00 N ATOM 722 CA GLY A 47 -7.019 2.693 -9.184 1.00 0.00 C ATOM 723 C GLY A 47 -6.931 1.286 -8.529 1.00 0.00 C ATOM 724 O GLY A 47 -7.920 0.594 -8.376 1.00 0.00 O ATOM 0 H GLY A 47 -5.117 3.305 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.868 3.476 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.004 2.855 -9.622 1.00 0.00 H new ATOM 728 N TRP A 48 -5.740 0.893 -8.153 1.00 0.00 N ATOM 729 CA TRP A 48 -5.521 -0.449 -7.514 1.00 0.00 C ATOM 730 C TRP A 48 -4.200 -0.855 -6.829 1.00 0.00 C ATOM 731 O TRP A 48 -3.327 -1.490 -7.394 1.00 0.00 O ATOM 732 CB TRP A 48 -5.810 -1.604 -8.521 1.00 0.00 C ATOM 733 CG TRP A 48 -5.981 -2.884 -7.699 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.009 -3.515 -6.984 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.135 -3.508 -7.490 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.630 -4.475 -6.360 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.917 -4.542 -6.614 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.384 -3.270 -8.029 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.937 -5.333 -6.262 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.427 -4.088 -7.676 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.183 -5.115 -6.789 1.00 0.00 C ATOM 0 H TRP A 48 -4.894 1.452 -8.262 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.215 -0.303 -6.686 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.710 -1.395 -9.100 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.991 -1.709 -9.232 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.957 -3.273 -6.943 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.157 -5.120 -5.727 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.537 -2.452 -8.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.779 -6.142 -5.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.415 -3.931 -8.083 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.996 -5.765 -6.502 1.00 0.00 H new ATOM 752 N THR A 49 -4.087 -0.372 -5.642 1.00 0.00 N ATOM 753 CA THR A 49 -2.949 -0.668 -4.744 1.00 0.00 C ATOM 754 C THR A 49 -3.514 -0.322 -3.422 1.00 0.00 C ATOM 755 O THR A 49 -3.768 0.863 -3.243 1.00 0.00 O ATOM 756 CB THR A 49 -1.623 0.164 -4.955 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.838 1.563 -4.950 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.097 -0.234 -6.296 1.00 0.00 C ATOM 0 H THR A 49 -4.778 0.255 -5.230 1.00 0.00 H new ATOM 0 HA THR A 49 -2.616 -1.693 -4.908 1.00 0.00 H new ATOM 0 HB THR A 49 -0.935 -0.046 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.553 1.782 -4.316 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.175 0.310 -6.501 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.895 -1.305 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.836 0.002 -7.061 1.00 0.00 H new ATOM 766 N ALA A 50 -3.776 -1.255 -2.537 1.00 0.00 N ATOM 767 CA ALA A 50 -4.317 -0.602 -1.251 1.00 0.00 C ATOM 768 C ALA A 50 -2.959 -0.175 -0.680 1.00 0.00 C ATOM 769 O ALA A 50 -2.130 -1.035 -0.492 1.00 0.00 O ATOM 770 CB ALA A 50 -4.960 -1.554 -0.243 1.00 0.00 C ATOM 0 H ALA A 50 -3.673 -2.268 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.098 0.134 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.305 -0.989 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.807 -2.059 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.227 -2.295 0.076 1.00 0.00 H new ATOM 776 N PHE A 51 -2.785 1.094 -0.425 1.00 0.00 N ATOM 777 CA PHE A 51 -1.468 1.611 0.103 1.00 0.00 C ATOM 778 C PHE A 51 -1.279 1.786 1.629 1.00 0.00 C ATOM 779 O PHE A 51 -2.211 2.085 2.338 1.00 0.00 O ATOM 780 CB PHE A 51 -1.227 2.985 -0.678 1.00 0.00 C ATOM 781 CG PHE A 51 0.084 3.653 -0.209 1.00 0.00 C ATOM 782 CD1 PHE A 51 1.273 3.344 -0.842 1.00 0.00 C ATOM 783 CD2 PHE A 51 0.098 4.546 0.853 1.00 0.00 C ATOM 784 CE1 PHE A 51 2.458 3.913 -0.423 1.00 0.00 C ATOM 785 CE2 PHE A 51 1.288 5.117 1.274 1.00 0.00 C ATOM 786 CZ PHE A 51 2.466 4.798 0.635 1.00 0.00 C ATOM 0 H PHE A 51 -3.500 1.809 -0.558 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.728 0.832 -0.080 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.182 2.797 -1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.066 3.659 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.275 2.652 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.825 4.798 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.382 3.665 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.292 5.811 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.395 5.241 0.962 1.00 0.00 H new ATOM 796 N CYS A 52 -0.070 1.584 2.106 1.00 0.00 N ATOM 797 CA CYS A 52 0.251 1.733 3.591 1.00 0.00 C ATOM 798 C CYS A 52 1.640 2.398 3.986 1.00 0.00 C ATOM 799 O CYS A 52 2.560 1.726 4.413 1.00 0.00 O ATOM 800 CB CYS A 52 0.133 0.304 4.236 1.00 0.00 C ATOM 801 SG CYS A 52 -0.107 -1.142 3.172 1.00 0.00 S ATOM 0 H CYS A 52 0.729 1.318 1.530 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.470 2.454 3.976 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.039 0.133 4.818 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.698 0.332 4.940 1.00 0.00 H new ATOM 806 N GLY A 53 1.790 3.692 3.841 1.00 0.00 N ATOM 807 CA GLY A 53 3.105 4.362 4.209 1.00 0.00 C ATOM 808 C GLY A 53 2.964 5.597 5.117 1.00 0.00 C ATOM 809 O GLY A 53 1.875 6.116 5.251 1.00 0.00 O ATOM 0 H GLY A 53 1.070 4.322 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.742 3.632 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.616 4.658 3.293 1.00 0.00 H new ATOM 813 N PRO A 54 4.057 6.049 5.712 1.00 0.00 N ATOM 814 CA PRO A 54 4.042 7.224 6.646 1.00 0.00 C ATOM 815 C PRO A 54 3.283 8.430 6.073 1.00 0.00 C ATOM 816 O PRO A 54 2.384 8.964 6.686 1.00 0.00 O ATOM 817 CB PRO A 54 5.544 7.504 6.933 1.00 0.00 C ATOM 818 CG PRO A 54 6.340 6.685 5.865 1.00 0.00 C ATOM 819 CD PRO A 54 5.430 5.488 5.529 1.00 0.00 C ATOM 0 HA PRO A 54 3.495 7.017 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.766 8.568 6.855 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.813 7.196 7.943 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.547 7.286 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.302 6.353 6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.589 5.133 4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.613 4.643 6.193 1.00 0.00 H new ATOM 827 N ALA A 55 3.673 8.831 4.897 1.00 0.00 N ATOM 828 CA ALA A 55 3.016 9.994 4.214 1.00 0.00 C ATOM 829 C ALA A 55 2.498 9.501 2.842 1.00 0.00 C ATOM 830 O ALA A 55 3.085 8.611 2.258 1.00 0.00 O ATOM 831 CB ALA A 55 4.074 11.112 4.063 1.00 0.00 C ATOM 0 H ALA A 55 4.430 8.400 4.367 1.00 0.00 H new ATOM 0 HA ALA A 55 2.174 10.391 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.625 11.973 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.435 11.407 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.909 10.745 3.466 1.00 0.00 H new ATOM 837 N GLY A 56 1.439 10.080 2.347 1.00 0.00 N ATOM 838 CA GLY A 56 0.875 9.646 1.017 1.00 0.00 C ATOM 839 C GLY A 56 -0.651 9.774 0.969 1.00 0.00 C ATOM 840 O GLY A 56 -1.115 10.746 0.404 1.00 0.00 O ATOM 0 H GLY A 56 0.931 10.839 2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.314 10.250 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.158 8.611 0.824 1.00 0.00 H new ATOM 844 N PRO A 57 -1.367 8.829 1.542 1.00 0.00 N ATOM 845 CA PRO A 57 -2.847 8.722 1.360 1.00 0.00 C ATOM 846 C PRO A 57 -3.641 10.037 1.479 1.00 0.00 C ATOM 847 O PRO A 57 -3.958 10.485 2.565 1.00 0.00 O ATOM 848 CB PRO A 57 -3.276 7.659 2.416 1.00 0.00 C ATOM 849 CG PRO A 57 -2.043 7.535 3.372 1.00 0.00 C ATOM 850 CD PRO A 57 -0.845 7.764 2.449 1.00 0.00 C ATOM 0 HA PRO A 57 -3.080 8.438 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.168 7.975 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.511 6.704 1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.080 8.275 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.001 6.555 3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.039 8.089 2.997 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.568 6.861 1.905 1.00 0.00 H new ATOM 858 N ARG A 58 -3.997 10.625 0.366 1.00 0.00 N ATOM 859 CA ARG A 58 -4.772 11.902 0.441 1.00 0.00 C ATOM 860 C ARG A 58 -6.285 11.605 0.580 1.00 0.00 C ATOM 861 O ARG A 58 -7.092 11.944 -0.266 1.00 0.00 O ATOM 862 CB ARG A 58 -4.449 12.737 -0.845 1.00 0.00 C ATOM 863 CG ARG A 58 -4.779 14.257 -0.609 1.00 0.00 C ATOM 864 CD ARG A 58 -3.697 14.873 0.288 1.00 0.00 C ATOM 865 NE ARG A 58 -4.232 15.187 1.658 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.830 16.246 2.255 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.681 16.183 2.791 1.00 0.00 N ATOM 868 NH2 ARG A 58 -4.586 17.265 2.267 1.00 0.00 N ATOM 0 H ARG A 58 -3.791 10.286 -0.574 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.487 12.479 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.397 12.623 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.029 12.359 -1.687 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.823 14.785 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.758 14.361 -0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.857 14.183 0.373 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.316 15.784 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.906 14.565 2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.136 15.323 2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.302 16.993 3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.495 17.231 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.284 18.118 2.737 1.00 0.00 H new ATOM 882 N GLY A 59 -6.608 10.968 1.684 1.00 0.00 N ATOM 883 CA GLY A 59 -8.037 10.583 2.008 1.00 0.00 C ATOM 884 C GLY A 59 -8.872 10.174 0.781 1.00 0.00 C ATOM 885 O GLY A 59 -8.349 9.734 -0.228 1.00 0.00 O ATOM 0 H GLY A 59 -5.931 10.690 2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.027 9.757 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.525 11.423 2.502 1.00 0.00 H new ATOM 889 N GLN A 60 -10.170 10.303 0.874 1.00 0.00 N ATOM 890 CA GLN A 60 -11.017 9.919 -0.310 1.00 0.00 C ATOM 891 C GLN A 60 -10.423 10.544 -1.615 1.00 0.00 C ATOM 892 O GLN A 60 -10.303 9.884 -2.626 1.00 0.00 O ATOM 893 CB GLN A 60 -12.485 10.399 -0.017 1.00 0.00 C ATOM 894 CG GLN A 60 -13.086 9.494 1.138 1.00 0.00 C ATOM 895 CD GLN A 60 -14.584 9.725 1.403 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.397 9.847 0.515 1.00 0.00 O ATOM 897 NE2 GLN A 60 -15.021 9.786 2.620 1.00 0.00 N ATOM 0 H GLN A 60 -10.675 10.647 1.691 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.027 8.840 -0.466 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.489 11.447 0.282 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.096 10.322 -0.916 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.931 8.446 0.881 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.532 9.682 2.058 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.372 9.688 3.401 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.015 9.932 2.798 1.00 0.00 H new ATOM 906 N ALA A 61 -10.056 11.801 -1.550 1.00 0.00 N ATOM 907 CA ALA A 61 -9.462 12.536 -2.730 1.00 0.00 C ATOM 908 C ALA A 61 -8.309 11.787 -3.471 1.00 0.00 C ATOM 909 O ALA A 61 -8.060 11.999 -4.645 1.00 0.00 O ATOM 910 CB ALA A 61 -8.968 13.884 -2.200 1.00 0.00 C ATOM 0 H ALA A 61 -10.143 12.370 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.239 12.635 -3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.528 14.457 -3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.806 14.439 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.217 13.718 -1.427 1.00 0.00 H new ATOM 916 N ALA A 62 -7.635 10.930 -2.748 1.00 0.00 N ATOM 917 CA ALA A 62 -6.488 10.118 -3.286 1.00 0.00 C ATOM 918 C ALA A 62 -7.042 8.907 -4.079 1.00 0.00 C ATOM 919 O ALA A 62 -6.525 8.551 -5.122 1.00 0.00 O ATOM 920 CB ALA A 62 -5.640 9.660 -2.063 1.00 0.00 C ATOM 0 H ALA A 62 -7.838 10.749 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.866 10.697 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.794 9.066 -2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.273 10.535 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.258 9.058 -1.397 1.00 0.00 H new ATOM 926 N CYS A 63 -8.086 8.322 -3.547 1.00 0.00 N ATOM 927 CA CYS A 63 -8.727 7.135 -4.211 1.00 0.00 C ATOM 928 C CYS A 63 -9.128 7.564 -5.648 1.00 0.00 C ATOM 929 O CYS A 63 -10.027 8.353 -5.867 1.00 0.00 O ATOM 930 CB CYS A 63 -9.943 6.719 -3.345 1.00 0.00 C ATOM 931 SG CYS A 63 -10.633 5.060 -3.601 1.00 0.00 S ATOM 0 H CYS A 63 -8.528 8.615 -2.675 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.062 6.275 -4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.653 6.804 -2.298 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.739 7.443 -3.515 1.00 0.00 H new ATOM 936 N GLY A 64 -8.416 7.011 -6.601 1.00 0.00 N ATOM 937 CA GLY A 64 -8.658 7.323 -8.053 1.00 0.00 C ATOM 938 C GLY A 64 -7.374 7.878 -8.691 1.00 0.00 C ATOM 939 O GLY A 64 -7.288 8.061 -9.886 1.00 0.00 O ATOM 0 H GLY A 64 -7.663 6.344 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.976 6.423 -8.579 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.465 8.050 -8.148 1.00 0.00 H new ATOM 943 N LYS A 65 -6.373 8.168 -7.901 1.00 0.00 N ATOM 944 CA LYS A 65 -5.084 8.710 -8.451 1.00 0.00 C ATOM 945 C LYS A 65 -4.059 7.557 -8.562 1.00 0.00 C ATOM 946 O LYS A 65 -4.284 6.474 -8.062 1.00 0.00 O ATOM 947 CB LYS A 65 -4.548 9.809 -7.483 1.00 0.00 C ATOM 948 CG LYS A 65 -5.582 10.940 -7.210 1.00 0.00 C ATOM 949 CD LYS A 65 -6.083 11.534 -8.554 1.00 0.00 C ATOM 950 CE LYS A 65 -6.705 12.915 -8.373 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.586 13.853 -8.027 1.00 0.00 N ATOM 0 H LYS A 65 -6.389 8.053 -6.888 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.244 9.143 -9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.267 9.346 -6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.643 10.246 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.424 10.545 -6.641 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.126 11.723 -6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.250 11.601 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.817 10.861 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.209 13.234 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.455 12.900 -7.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.841 14.819 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.420 13.832 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.721 13.559 -8.524 1.00 0.00 H new ATOM 965 N CYS A 66 -2.951 7.809 -9.209 1.00 0.00 N ATOM 966 CA CYS A 66 -1.897 6.769 -9.373 1.00 0.00 C ATOM 967 C CYS A 66 -0.687 7.109 -8.476 1.00 0.00 C ATOM 968 O CYS A 66 -0.513 8.219 -8.012 1.00 0.00 O ATOM 969 CB CYS A 66 -1.468 6.737 -10.827 1.00 0.00 C ATOM 970 SG CYS A 66 -2.554 5.941 -12.033 1.00 0.00 S ATOM 0 H CYS A 66 -2.730 8.708 -9.637 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.287 5.794 -9.082 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.314 7.767 -11.149 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.499 6.240 -10.875 1.00 0.00 H new ATOM 975 N LEU A 67 0.159 6.156 -8.228 1.00 0.00 N ATOM 976 CA LEU A 67 1.353 6.444 -7.347 1.00 0.00 C ATOM 977 C LEU A 67 2.606 6.162 -8.157 1.00 0.00 C ATOM 978 O LEU A 67 2.708 5.097 -8.710 1.00 0.00 O ATOM 979 CB LEU A 67 1.280 5.518 -6.103 1.00 0.00 C ATOM 980 CG LEU A 67 1.749 6.197 -4.798 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.561 5.172 -3.654 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.224 6.548 -4.914 1.00 0.00 C ATOM 0 H LEU A 67 0.092 5.202 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 67 1.366 7.481 -7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.253 5.175 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.891 4.634 -6.282 1.00 0.00 H new ATOM 0 HG LEU A 67 1.180 7.107 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.882 5.616 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.509 4.894 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.159 4.284 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.557 7.028 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.802 5.639 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.371 7.229 -5.752 1.00 0.00 H new ATOM 994 N ARG A 68 3.547 7.038 -8.255 1.00 0.00 N ATOM 995 CA ARG A 68 4.734 6.658 -9.072 1.00 0.00 C ATOM 996 C ARG A 68 5.809 6.109 -8.122 1.00 0.00 C ATOM 997 O ARG A 68 6.336 6.876 -7.340 1.00 0.00 O ATOM 998 CB ARG A 68 5.125 7.929 -9.789 1.00 0.00 C ATOM 999 CG ARG A 68 6.380 7.696 -10.591 1.00 0.00 C ATOM 1000 CD ARG A 68 6.642 8.948 -11.390 1.00 0.00 C ATOM 1001 NE ARG A 68 8.096 8.886 -11.686 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.864 9.898 -11.744 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.734 10.883 -10.945 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.737 9.809 -12.656 1.00 0.00 N ATOM 0 H ARG A 68 3.560 7.965 -7.829 1.00 0.00 H new ATOM 0 HA ARG A 68 4.562 5.872 -9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.317 8.250 -10.446 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.287 8.730 -9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.221 7.477 -9.933 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.260 6.837 -11.251 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.049 8.970 -12.304 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.388 9.844 -10.824 1.00 0.00 H new ATOM 0 HE ARG A 68 8.507 7.968 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.000 10.872 -10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.364 11.682 -11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.769 8.982 -13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.408 10.564 -12.795 1.00 0.00 H new ATOM 1018 N VAL A 69 6.101 4.832 -8.206 1.00 0.00 N ATOM 1019 CA VAL A 69 7.148 4.239 -7.293 1.00 0.00 C ATOM 1020 C VAL A 69 8.410 3.944 -8.098 1.00 0.00 C ATOM 1021 O VAL A 69 8.352 3.320 -9.140 1.00 0.00 O ATOM 1022 CB VAL A 69 6.655 2.911 -6.665 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.781 2.349 -5.746 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.401 3.136 -5.806 1.00 0.00 C ATOM 0 H VAL A 69 5.669 4.176 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 69 7.349 4.958 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 69 6.412 2.216 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.450 1.413 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.678 2.169 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.004 3.071 -4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.078 2.187 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.631 3.836 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.603 3.545 -6.427 1.00 0.00 H new ATOM 1034 N THR A 70 9.498 4.420 -7.559 1.00 0.00 N ATOM 1035 CA THR A 70 10.863 4.262 -8.164 1.00 0.00 C ATOM 1036 C THR A 70 11.827 3.537 -7.238 1.00 0.00 C ATOM 1037 O THR A 70 11.773 3.738 -6.035 1.00 0.00 O ATOM 1038 CB THR A 70 11.440 5.631 -8.450 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.600 6.156 -9.464 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.838 5.570 -9.097 1.00 0.00 C ATOM 0 H THR A 70 9.501 4.938 -6.680 1.00 0.00 H new ATOM 0 HA THR A 70 10.746 3.673 -9.073 1.00 0.00 H new ATOM 0 HB THR A 70 11.506 6.195 -7.520 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.906 7.054 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.199 6.582 -9.278 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.526 5.053 -8.428 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.778 5.031 -10.043 1.00 0.00 H new ATOM 1048 N ASN A 71 12.670 2.758 -7.852 1.00 0.00 N ATOM 1049 CA ASN A 71 13.691 1.969 -7.120 1.00 0.00 C ATOM 1050 C ASN A 71 15.108 2.599 -7.308 1.00 0.00 C ATOM 1051 O ASN A 71 15.575 2.699 -8.426 1.00 0.00 O ATOM 1052 CB ASN A 71 13.635 0.548 -7.683 1.00 0.00 C ATOM 1053 CG ASN A 71 14.563 -0.345 -6.894 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.306 0.058 -6.023 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.567 -1.600 -7.158 1.00 0.00 N ATOM 0 H ASN A 71 12.692 2.633 -8.864 1.00 0.00 H new ATOM 0 HA ASN A 71 13.492 1.962 -6.048 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.616 0.166 -7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.923 0.551 -8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.183 -2.228 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.954 -1.970 -7.884 1.00 0.00 H new ATOM 1062 N PRO A 72 15.766 2.996 -6.239 1.00 0.00 N ATOM 1063 CA PRO A 72 17.146 3.556 -6.324 1.00 0.00 C ATOM 1064 C PRO A 72 18.161 2.503 -6.829 1.00 0.00 C ATOM 1065 O PRO A 72 19.032 2.770 -7.631 1.00 0.00 O ATOM 1066 CB PRO A 72 17.468 4.051 -4.897 1.00 0.00 C ATOM 1067 CG PRO A 72 16.197 3.795 -4.017 1.00 0.00 C ATOM 1068 CD PRO A 72 15.233 2.940 -4.849 1.00 0.00 C ATOM 0 HA PRO A 72 17.213 4.369 -7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.329 3.520 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.722 5.111 -4.906 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.466 3.283 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.729 4.738 -3.734 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.198 1.915 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.217 3.331 -4.800 1.00 0.00 H new ATOM 1076 N ALA A 73 17.994 1.310 -6.327 1.00 0.00 N ATOM 1077 CA ALA A 73 18.889 0.179 -6.693 1.00 0.00 C ATOM 1078 C ALA A 73 18.876 -0.185 -8.193 1.00 0.00 C ATOM 1079 O ALA A 73 19.939 -0.343 -8.758 1.00 0.00 O ATOM 1080 CB ALA A 73 18.467 -1.009 -5.809 1.00 0.00 C ATOM 0 H ALA A 73 17.258 1.068 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 73 19.925 0.469 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.093 -1.872 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.585 -0.741 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.424 -1.256 -6.006 1.00 0.00 H new ATOM 1086 N THR A 74 17.732 -0.311 -8.812 1.00 0.00 N ATOM 1087 CA THR A 74 17.750 -0.668 -10.282 1.00 0.00 C ATOM 1088 C THR A 74 17.508 0.549 -11.160 1.00 0.00 C ATOM 1089 O THR A 74 17.760 0.538 -12.351 1.00 0.00 O ATOM 1090 CB THR A 74 16.665 -1.733 -10.576 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.444 -1.228 -10.054 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.936 -2.959 -9.714 1.00 0.00 C ATOM 0 H THR A 74 16.811 -0.190 -8.392 1.00 0.00 H new ATOM 0 HA THR A 74 18.739 -1.064 -10.514 1.00 0.00 H new ATOM 0 HB THR A 74 16.647 -1.959 -11.642 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.856 -1.975 -9.817 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.178 -3.717 -9.912 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.921 -3.360 -9.951 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.903 -2.678 -8.661 1.00 0.00 H new ATOM 1100 N GLY A 75 17.010 1.582 -10.538 1.00 0.00 N ATOM 1101 CA GLY A 75 16.717 2.847 -11.273 1.00 0.00 C ATOM 1102 C GLY A 75 15.381 2.710 -11.987 1.00 0.00 C ATOM 1103 O GLY A 75 14.937 3.640 -12.622 1.00 0.00 O ATOM 0 H GLY A 75 16.791 1.605 -9.542 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.688 3.687 -10.579 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.508 3.056 -11.993 1.00 0.00 H new ATOM 1107 N ALA A 76 14.757 1.564 -11.864 1.00 0.00 N ATOM 1108 CA ALA A 76 13.446 1.374 -12.551 1.00 0.00 C ATOM 1109 C ALA A 76 12.308 2.047 -11.753 1.00 0.00 C ATOM 1110 O ALA A 76 12.454 2.365 -10.588 1.00 0.00 O ATOM 1111 CB ALA A 76 13.260 -0.143 -12.687 1.00 0.00 C ATOM 0 H ALA A 76 15.093 0.765 -11.326 1.00 0.00 H new ATOM 0 HA ALA A 76 13.423 1.845 -13.534 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.313 -0.350 -13.185 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.078 -0.559 -13.275 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.257 -0.599 -11.697 1.00 0.00 H new ATOM 1117 N GLN A 77 11.200 2.248 -12.414 1.00 0.00 N ATOM 1118 CA GLN A 77 10.004 2.899 -11.775 1.00 0.00 C ATOM 1119 C GLN A 77 8.661 2.493 -12.427 1.00 0.00 C ATOM 1120 O GLN A 77 8.634 2.249 -13.617 1.00 0.00 O ATOM 1121 CB GLN A 77 10.197 4.439 -11.870 1.00 0.00 C ATOM 1122 CG GLN A 77 10.381 4.866 -13.374 1.00 0.00 C ATOM 1123 CD GLN A 77 10.491 6.382 -13.550 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.818 7.163 -12.909 1.00 0.00 O ATOM 1125 NE2 GLN A 77 11.309 6.888 -14.414 1.00 0.00 N ATOM 0 H GLN A 77 11.064 1.985 -13.390 1.00 0.00 H new ATOM 0 HA GLN A 77 9.946 2.562 -10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.334 4.949 -11.441 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.068 4.741 -11.288 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.277 4.392 -13.775 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.538 4.497 -13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 77 11.898 6.275 -14.979 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.366 7.900 -14.531 1.00 0.00 H new ATOM 1134 N ILE A 78 7.609 2.427 -11.658 1.00 0.00 N ATOM 1135 CA ILE A 78 6.259 2.054 -12.199 1.00 0.00 C ATOM 1136 C ILE A 78 5.080 2.941 -11.676 1.00 0.00 C ATOM 1137 O ILE A 78 5.293 3.844 -10.884 1.00 0.00 O ATOM 1138 CB ILE A 78 6.101 0.590 -11.846 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.036 -0.070 -12.769 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.716 0.415 -10.360 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.598 -1.387 -13.324 1.00 0.00 C ATOM 0 H ILE A 78 7.623 2.619 -10.656 1.00 0.00 H new ATOM 0 HA ILE A 78 6.211 2.230 -13.274 1.00 0.00 H new ATOM 0 HB ILE A 78 7.059 0.094 -12.003 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.119 -0.258 -12.210 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.778 0.603 -13.587 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.609 -0.646 -10.134 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.495 0.843 -9.729 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.772 0.924 -10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.857 -1.855 -13.972 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.503 -1.184 -13.896 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.834 -2.059 -12.498 1.00 0.00 H new ATOM 1153 N THR A 79 3.881 2.661 -12.130 1.00 0.00 N ATOM 1154 CA THR A 79 2.662 3.444 -11.706 1.00 0.00 C ATOM 1155 C THR A 79 1.591 2.638 -10.943 1.00 0.00 C ATOM 1156 O THR A 79 0.927 1.788 -11.526 1.00 0.00 O ATOM 1157 CB THR A 79 1.978 4.055 -12.947 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.965 4.822 -13.587 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.982 5.137 -12.600 1.00 0.00 C ATOM 0 H THR A 79 3.686 1.908 -12.790 1.00 0.00 H new ATOM 0 HA THR A 79 3.047 4.196 -11.018 1.00 0.00 H new ATOM 0 HB THR A 79 1.516 3.234 -13.495 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.587 5.237 -14.390 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.535 5.527 -13.514 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.201 4.722 -11.963 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.490 5.944 -12.072 1.00 0.00 H new ATOM 1167 N ALA A 80 1.448 2.930 -9.679 1.00 0.00 N ATOM 1168 CA ALA A 80 0.438 2.229 -8.840 1.00 0.00 C ATOM 1169 C ALA A 80 -0.898 2.883 -9.130 1.00 0.00 C ATOM 1170 O ALA A 80 -1.002 4.000 -9.593 1.00 0.00 O ATOM 1171 CB ALA A 80 0.666 2.428 -7.396 1.00 0.00 C ATOM 0 H ALA A 80 1.997 3.635 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 80 0.488 1.165 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.099 1.896 -6.830 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.650 2.044 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.615 3.492 -7.163 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.877 2.120 -8.793 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.262 2.465 -8.968 1.00 0.00 C ATOM 1179 C ARG A 81 -3.634 2.866 -7.484 1.00 0.00 C ATOM 1180 O ARG A 81 -3.982 1.980 -6.739 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.590 1.049 -9.666 1.00 0.00 C ATOM 1182 CG ARG A 81 -2.480 0.595 -10.697 1.00 0.00 C ATOM 1183 CD ARG A 81 -2.680 -0.796 -11.241 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.492 -0.603 -12.706 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.409 -0.766 -13.351 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -0.336 -0.184 -12.966 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -1.549 -1.523 -14.358 1.00 0.00 N ATOM 0 H ARG A 81 -1.740 1.201 -8.371 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.742 3.257 -9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.695 0.286 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.549 1.117 -10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.461 1.300 -11.528 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.505 0.648 -10.212 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.957 -1.500 -10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.671 -1.184 -11.007 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.310 -0.313 -13.242 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.348 0.413 -12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.531 -0.317 -13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.462 -1.925 -14.571 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.749 -1.730 -14.956 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.586 4.096 -7.028 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.952 4.344 -5.576 1.00 0.00 C ATOM 1203 C ILE A 82 -5.438 4.100 -5.302 1.00 0.00 C ATOM 1204 O ILE A 82 -6.280 4.898 -5.677 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.605 5.806 -5.168 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.132 6.056 -5.557 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -3.794 5.960 -3.621 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.625 7.368 -4.980 1.00 0.00 C ATOM 0 H ILE A 82 -3.320 4.920 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.370 3.637 -4.984 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.252 6.525 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.514 5.234 -5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.038 6.073 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.553 6.981 -3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.828 5.740 -3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.132 5.266 -3.103 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.585 7.516 -5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.229 8.191 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.697 7.339 -3.893 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.735 2.997 -4.643 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.186 2.716 -4.357 1.00 0.00 C ATOM 1222 C VAL A 83 -7.589 2.658 -2.869 1.00 0.00 C ATOM 1223 O VAL A 83 -8.655 3.116 -2.523 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.569 1.375 -5.051 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.129 0.133 -4.229 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.091 1.360 -5.316 1.00 0.00 C ATOM 0 H VAL A 83 -5.067 2.305 -4.303 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.735 3.571 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.032 1.314 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.420 -0.775 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.047 0.147 -4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.611 0.154 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.367 0.424 -5.802 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.626 1.449 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.356 2.196 -5.963 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.776 2.112 -2.001 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.212 2.066 -0.559 1.00 0.00 C ATOM 1238 C ASP A 84 -6.106 2.398 0.461 1.00 0.00 C ATOM 1239 O ASP A 84 -4.978 2.705 0.123 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.822 0.639 -0.365 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.662 0.486 0.914 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.274 1.473 1.283 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -8.653 -0.611 1.434 1.00 0.00 O ATOM 0 H ASP A 84 -5.862 1.709 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.940 2.852 -0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.445 0.401 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.013 -0.091 -0.345 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.487 2.324 1.707 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.555 2.607 2.851 1.00 0.00 C ATOM 1250 C GLN A 85 -5.371 1.284 3.624 1.00 0.00 C ATOM 1251 O GLN A 85 -6.256 0.879 4.348 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.216 3.688 3.721 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.528 4.937 2.851 1.00 0.00 C ATOM 1254 CD GLN A 85 -7.082 6.085 3.682 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.905 5.961 4.558 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.673 7.282 3.453 1.00 0.00 N ATOM 0 H GLN A 85 -7.433 2.072 1.994 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.577 2.966 2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.134 3.302 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.556 3.961 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.620 5.262 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.247 4.669 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.978 7.453 2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.043 8.060 3.998 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.245 0.629 3.498 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.066 -0.668 4.238 1.00 0.00 C ATOM 1267 C CYS A 86 -3.481 -0.484 5.666 1.00 0.00 C ATOM 1268 O CYS A 86 -3.062 0.595 6.044 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.145 -1.597 3.396 1.00 0.00 C ATOM 1270 SG CYS A 86 -1.577 -2.181 4.091 1.00 0.00 S ATOM 0 H CYS A 86 -3.453 0.924 2.928 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.052 -1.113 4.371 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -3.729 -2.477 3.127 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -2.914 -1.072 2.469 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.478 -1.562 6.410 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.955 -1.544 7.814 1.00 0.00 C ATOM 1277 C ALA A 87 -1.723 -2.441 8.046 1.00 0.00 C ATOM 1278 O ALA A 87 -0.650 -1.942 8.314 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.137 -1.956 8.718 1.00 0.00 C ATOM 0 H ALA A 87 -3.822 -2.471 6.099 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.589 -0.544 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.814 -1.961 9.759 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.954 -1.245 8.595 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.478 -2.953 8.439 1.00 0.00 H new ATOM 1285 N ASN A 88 -1.874 -3.736 7.934 1.00 0.00 N ATOM 1286 CA ASN A 88 -0.696 -4.639 8.157 1.00 0.00 C ATOM 1287 C ASN A 88 -0.101 -5.177 6.835 1.00 0.00 C ATOM 1288 O ASN A 88 0.171 -6.351 6.664 1.00 0.00 O ATOM 1289 CB ASN A 88 -1.178 -5.787 9.072 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.264 -6.582 8.371 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -3.441 -6.327 8.480 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.921 -7.563 7.616 1.00 0.00 N ATOM 0 H ASN A 88 -2.749 -4.206 7.701 1.00 0.00 H new ATOM 0 HA ASN A 88 0.115 -4.082 8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.342 -6.439 9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.559 -5.382 10.009 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -2.634 -8.104 7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.935 -7.801 7.505 1.00 0.00 H new ATOM 1299 N GLY A 89 0.085 -4.257 5.936 1.00 0.00 N ATOM 1300 CA GLY A 89 0.656 -4.596 4.598 1.00 0.00 C ATOM 1301 C GLY A 89 2.091 -4.092 4.612 1.00 0.00 C ATOM 1302 O GLY A 89 2.623 -3.726 5.644 1.00 0.00 O ATOM 0 H GLY A 89 -0.136 -3.270 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.622 -5.671 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.085 -4.123 3.799 1.00 0.00 H new ATOM 1306 N GLY A 90 2.699 -4.095 3.459 1.00 0.00 N ATOM 1307 CA GLY A 90 4.117 -3.615 3.346 1.00 0.00 C ATOM 1308 C GLY A 90 4.365 -2.632 2.208 1.00 0.00 C ATOM 1309 O GLY A 90 5.514 -2.388 1.889 1.00 0.00 O ATOM 0 H GLY A 90 2.279 -4.409 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.403 -3.142 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.769 -4.478 3.212 1.00 0.00 H new ATOM 1313 N LEU A 91 3.285 -2.129 1.670 1.00 0.00 N ATOM 1314 CA LEU A 91 3.301 -1.128 0.535 1.00 0.00 C ATOM 1315 C LEU A 91 1.970 -0.845 -0.142 1.00 0.00 C ATOM 1316 O LEU A 91 1.417 0.235 -0.081 1.00 0.00 O ATOM 1317 CB LEU A 91 4.333 -1.561 -0.612 1.00 0.00 C ATOM 1318 CG LEU A 91 4.937 -0.333 -1.415 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.893 0.720 -1.877 1.00 0.00 C ATOM 1320 CD2 LEU A 91 6.023 0.363 -0.577 1.00 0.00 C ATOM 0 H LEU A 91 2.345 -2.377 1.979 1.00 0.00 H new ATOM 0 HA LEU A 91 3.599 -0.210 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.148 -2.127 -0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.829 -2.229 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 91 5.356 -0.763 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.398 1.521 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.163 0.245 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.384 1.134 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.431 1.204 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.588 0.724 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.821 -0.346 -0.354 1.00 0.00 H new ATOM 1332 N ASP A 92 1.591 -1.910 -0.719 1.00 0.00 N ATOM 1333 CA ASP A 92 0.321 -2.041 -1.525 1.00 0.00 C ATOM 1334 C ASP A 92 -0.569 -3.347 -1.600 1.00 0.00 C ATOM 1335 O ASP A 92 -0.255 -4.396 -1.086 1.00 0.00 O ATOM 1336 CB ASP A 92 0.718 -1.670 -2.931 1.00 0.00 C ATOM 1337 CG ASP A 92 1.783 -2.665 -3.392 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.319 -3.776 -3.580 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.933 -2.269 -3.520 1.00 0.00 O ATOM 0 H ASP A 92 2.129 -2.775 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.368 -1.415 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.147 -1.702 -3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.107 -0.652 -2.963 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.726 -3.266 -2.240 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.636 -4.475 -2.414 1.00 0.00 C ATOM 1346 C LEU A 93 -2.640 -4.649 -3.933 1.00 0.00 C ATOM 1347 O LEU A 93 -3.663 -4.605 -4.568 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.158 -4.206 -1.825 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.427 -4.185 -2.855 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.771 -4.266 -2.096 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.493 -2.878 -3.788 1.00 0.00 C ATOM 0 H LEU A 93 -2.086 -2.407 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.296 -5.355 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.358 -4.972 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.143 -3.248 -1.306 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.270 -5.059 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.594 -4.250 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.809 -5.191 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.860 -3.415 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.363 -2.941 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.573 -1.988 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.588 -2.817 -4.393 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.469 -4.751 -4.490 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.346 -4.930 -5.947 1.00 0.00 C ATOM 1365 C ASP A 94 -1.340 -6.451 -6.284 1.00 0.00 C ATOM 1366 O ASP A 94 -2.265 -7.087 -6.746 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.083 -4.061 -6.343 1.00 0.00 C ATOM 1368 CG ASP A 94 1.208 -4.714 -6.701 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.949 -5.170 -5.866 1.00 0.00 O ATOM 1370 OD2 ASP A 94 1.388 -4.709 -7.885 1.00 0.00 O ATOM 0 H ASP A 94 -0.584 -4.717 -3.985 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.179 -4.575 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.374 -3.440 -7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.118 -3.389 -5.509 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.158 -6.888 -5.937 1.00 0.00 N ATOM 1376 CA TRP A 95 0.455 -8.247 -6.027 1.00 0.00 C ATOM 1377 C TRP A 95 1.831 -8.191 -6.713 1.00 0.00 C ATOM 1378 O TRP A 95 2.790 -8.722 -6.186 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.364 -9.273 -6.889 1.00 0.00 C ATOM 1380 CG TRP A 95 0.545 -10.527 -7.074 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.109 -11.268 -6.068 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.951 -11.031 -8.264 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.819 -12.164 -6.727 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.785 -12.097 -8.038 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.697 -10.666 -9.571 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 2.364 -12.793 -9.067 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 1.274 -11.358 -10.618 1.00 0.00 C ATOM 1388 CH2 TRP A 95 2.112 -12.425 -10.364 1.00 0.00 C ATOM 0 H TRP A 95 0.509 -6.235 -5.527 1.00 0.00 H new ATOM 0 HA TRP A 95 0.497 -8.573 -4.988 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.296 -9.540 -6.391 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.631 -8.842 -7.854 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.999 -11.148 -5.000 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.367 -12.874 -6.242 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.042 -9.832 -9.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.016 -13.628 -8.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.069 -11.064 -11.637 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.566 -12.966 -11.181 1.00 0.00 H new ATOM 1399 N ASP A 96 1.868 -7.558 -7.854 1.00 0.00 N ATOM 1400 CA ASP A 96 3.134 -7.454 -8.636 1.00 0.00 C ATOM 1401 C ASP A 96 3.479 -6.143 -9.345 1.00 0.00 C ATOM 1402 O ASP A 96 4.609 -5.700 -9.233 1.00 0.00 O ATOM 1403 CB ASP A 96 3.148 -8.590 -9.710 1.00 0.00 C ATOM 1404 CG ASP A 96 2.173 -8.291 -10.855 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.079 -7.850 -10.535 1.00 0.00 O ATOM 1406 OD2 ASP A 96 2.573 -8.512 -11.985 1.00 0.00 O ATOM 0 H ASP A 96 1.063 -7.102 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 96 3.895 -7.529 -7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.156 -8.703 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.882 -9.538 -9.242 1.00 0.00 H new ATOM 1411 N THR A 97 2.528 -5.599 -10.073 1.00 0.00 N ATOM 1412 CA THR A 97 2.700 -4.316 -10.826 1.00 0.00 C ATOM 1413 C THR A 97 3.718 -3.371 -10.118 1.00 0.00 C ATOM 1414 O THR A 97 4.445 -2.665 -10.788 1.00 0.00 O ATOM 1415 CB THR A 97 1.283 -3.614 -10.987 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.177 -2.774 -9.856 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.016 -4.548 -10.819 1.00 0.00 C ATOM 0 H THR A 97 1.602 -6.013 -10.178 1.00 0.00 H new ATOM 0 HA THR A 97 3.107 -4.536 -11.813 1.00 0.00 H new ATOM 0 HB THR A 97 1.267 -3.180 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.136 -3.322 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.891 -3.958 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.045 -5.339 -11.568 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.020 -4.991 -9.823 1.00 0.00 H new ATOM 1425 N VAL A 98 3.728 -3.381 -8.807 1.00 0.00 N ATOM 1426 CA VAL A 98 4.655 -2.531 -7.996 1.00 0.00 C ATOM 1427 C VAL A 98 6.060 -3.091 -7.595 1.00 0.00 C ATOM 1428 O VAL A 98 7.084 -2.624 -8.063 1.00 0.00 O ATOM 1429 CB VAL A 98 3.897 -2.110 -6.686 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.735 -1.093 -5.883 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.549 -1.454 -7.004 1.00 0.00 C ATOM 0 H VAL A 98 3.108 -3.966 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 98 4.908 -1.716 -8.675 1.00 0.00 H new ATOM 0 HB VAL A 98 3.735 -3.019 -6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.196 -0.811 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.690 -1.542 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.911 -0.206 -6.491 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.052 -1.175 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.712 -0.563 -7.610 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.923 -2.157 -7.554 1.00 0.00 H new ATOM 1441 N PHE A 99 6.036 -4.099 -6.755 1.00 0.00 N ATOM 1442 CA PHE A 99 7.315 -4.727 -6.243 1.00 0.00 C ATOM 1443 C PHE A 99 8.011 -5.762 -7.120 1.00 0.00 C ATOM 1444 O PHE A 99 8.985 -5.419 -7.775 1.00 0.00 O ATOM 1445 CB PHE A 99 6.977 -5.332 -4.828 1.00 0.00 C ATOM 1446 CG PHE A 99 8.254 -5.607 -3.975 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.989 -6.787 -4.040 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.698 -4.615 -3.115 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.127 -6.957 -3.275 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.839 -4.792 -2.349 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.556 -5.964 -2.432 1.00 0.00 C ATOM 0 H PHE A 99 5.181 -4.523 -6.394 1.00 0.00 H new ATOM 0 HA PHE A 99 8.057 -3.929 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.325 -4.645 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.423 -6.262 -4.957 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.666 -7.581 -4.697 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.146 -3.690 -3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.684 -7.880 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.167 -4.007 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.448 -6.100 -1.839 1.00 0.00 H new ATOM 1461 N THR A 100 7.500 -6.984 -7.152 1.00 0.00 N ATOM 1462 CA THR A 100 8.158 -8.067 -8.003 1.00 0.00 C ATOM 1463 C THR A 100 8.521 -7.554 -9.396 1.00 0.00 C ATOM 1464 O THR A 100 9.305 -8.165 -10.094 1.00 0.00 O ATOM 1465 CB THR A 100 7.236 -9.378 -8.195 1.00 0.00 C ATOM 1466 OG1 THR A 100 6.988 -9.566 -9.582 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.798 -9.260 -7.748 1.00 0.00 C ATOM 0 H THR A 100 6.671 -7.281 -6.638 1.00 0.00 H new ATOM 0 HA THR A 100 9.055 -8.340 -7.448 1.00 0.00 H new ATOM 0 HB THR A 100 7.789 -10.133 -7.636 1.00 0.00 H new ATOM 0 HG1 THR A 100 6.430 -10.361 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.282 -10.203 -7.928 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.766 -9.026 -6.684 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.307 -8.465 -8.309 1.00 0.00 H new ATOM 1475 N LYS A 101 7.920 -6.454 -9.749 1.00 0.00 N ATOM 1476 CA LYS A 101 8.132 -5.781 -11.047 1.00 0.00 C ATOM 1477 C LYS A 101 9.341 -4.814 -11.006 1.00 0.00 C ATOM 1478 O LYS A 101 10.085 -4.840 -11.961 1.00 0.00 O ATOM 1479 CB LYS A 101 6.816 -5.079 -11.358 1.00 0.00 C ATOM 1480 CG LYS A 101 5.791 -6.164 -11.835 1.00 0.00 C ATOM 1481 CD LYS A 101 6.010 -6.474 -13.332 1.00 0.00 C ATOM 1482 CE LYS A 101 5.515 -5.289 -14.143 1.00 0.00 C ATOM 1483 NZ LYS A 101 6.095 -5.419 -15.509 1.00 0.00 N ATOM 0 H LYS A 101 7.252 -5.972 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 101 8.387 -6.489 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.441 -4.563 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.960 -4.324 -12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.910 -7.073 -11.245 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.773 -5.810 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.066 -6.656 -13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.472 -7.379 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.426 -5.280 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.823 -4.351 -13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.778 -4.623 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.133 -5.413 -15.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.779 -6.313 -15.937 1.00 0.00 H new ATOM 1497 N ILE A 102 9.546 -4.002 -9.991 1.00 0.00 N ATOM 1498 CA ILE A 102 10.759 -3.088 -10.023 1.00 0.00 C ATOM 1499 C ILE A 102 12.004 -3.765 -9.378 1.00 0.00 C ATOM 1500 O ILE A 102 13.036 -3.144 -9.167 1.00 0.00 O ATOM 1501 CB ILE A 102 10.388 -1.786 -9.281 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.256 -2.074 -7.741 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.068 -1.264 -9.919 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.678 -0.873 -6.976 1.00 0.00 C ATOM 0 H ILE A 102 8.953 -3.926 -9.164 1.00 0.00 H new ATOM 0 HA ILE A 102 11.029 -2.870 -11.056 1.00 0.00 H new ATOM 0 HB ILE A 102 11.156 -1.019 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.615 -2.943 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.236 -2.325 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.765 -0.341 -9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.228 -1.072 -10.980 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.285 -2.013 -9.800 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.605 -1.118 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.332 -0.011 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.687 -0.638 -7.363 1.00 0.00 H new ATOM 1516 N ASP A 103 11.779 -5.025 -9.113 1.00 0.00 N ATOM 1517 CA ASP A 103 12.726 -5.999 -8.504 1.00 0.00 C ATOM 1518 C ASP A 103 13.443 -6.919 -9.546 1.00 0.00 C ATOM 1519 O ASP A 103 13.440 -8.133 -9.471 1.00 0.00 O ATOM 1520 CB ASP A 103 11.838 -6.760 -7.499 1.00 0.00 C ATOM 1521 CG ASP A 103 11.861 -6.048 -6.167 1.00 0.00 C ATOM 1522 OD1 ASP A 103 11.060 -5.153 -5.951 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.735 -6.483 -5.437 1.00 0.00 O ATOM 0 H ASP A 103 10.877 -5.454 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 103 13.578 -5.516 -8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.816 -6.821 -7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.196 -7.783 -7.383 1.00 0.00 H new ATOM 1528 N THR A 104 14.072 -6.287 -10.509 1.00 0.00 N ATOM 1529 CA THR A 104 14.824 -7.020 -11.605 1.00 0.00 C ATOM 1530 C THR A 104 15.869 -8.043 -11.127 1.00 0.00 C ATOM 1531 O THR A 104 16.298 -8.906 -11.860 1.00 0.00 O ATOM 1532 CB THR A 104 15.515 -5.981 -12.524 1.00 0.00 C ATOM 1533 OG1 THR A 104 15.758 -4.838 -11.720 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.535 -5.399 -13.524 1.00 0.00 C ATOM 0 H THR A 104 14.102 -5.271 -10.592 1.00 0.00 H new ATOM 0 HA THR A 104 14.070 -7.605 -12.132 1.00 0.00 H new ATOM 0 HB THR A 104 16.373 -6.465 -12.990 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.198 -4.147 -12.258 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.047 -4.673 -14.155 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.131 -6.199 -14.145 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.721 -4.906 -12.992 1.00 0.00 H new ATOM 1542 N ASN A 105 16.255 -7.894 -9.897 1.00 0.00 N ATOM 1543 CA ASN A 105 17.259 -8.784 -9.220 1.00 0.00 C ATOM 1544 C ASN A 105 16.563 -9.329 -7.955 1.00 0.00 C ATOM 1545 O ASN A 105 16.543 -10.520 -7.710 1.00 0.00 O ATOM 1546 CB ASN A 105 18.534 -7.964 -8.831 1.00 0.00 C ATOM 1547 CG ASN A 105 18.402 -6.513 -9.234 1.00 0.00 C ATOM 1548 OD1 ASN A 105 18.093 -5.620 -8.353 1.00 0.00 O flip ATOM 1549 ND2 ASN A 105 18.573 -6.147 -10.368 1.00 0.00 N flip ATOM 0 H ASN A 105 15.900 -7.153 -9.293 1.00 0.00 H new ATOM 0 HA ASN A 105 17.582 -9.593 -9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.697 -8.031 -7.755 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.409 -8.399 -9.314 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.818 -6.824 -11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.473 -5.160 -10.606 1.00 0.00 H new ATOM 1556 N GLY A 106 16.016 -8.414 -7.196 1.00 0.00 N ATOM 1557 CA GLY A 106 15.293 -8.788 -5.930 1.00 0.00 C ATOM 1558 C GLY A 106 16.149 -8.715 -4.683 1.00 0.00 C ATOM 1559 O GLY A 106 15.864 -9.390 -3.722 1.00 0.00 O ATOM 0 H GLY A 106 16.036 -7.414 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.434 -8.128 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.905 -9.801 -6.032 1.00 0.00 H new ATOM 1563 N ILE A 107 17.176 -7.911 -4.707 1.00 0.00 N ATOM 1564 CA ILE A 107 18.098 -7.753 -3.534 1.00 0.00 C ATOM 1565 C ILE A 107 17.339 -7.744 -2.167 1.00 0.00 C ATOM 1566 O ILE A 107 17.484 -8.645 -1.369 1.00 0.00 O ATOM 1567 CB ILE A 107 18.909 -6.437 -3.821 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.692 -6.515 -5.189 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.920 -6.141 -2.696 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.695 -7.702 -5.237 1.00 0.00 C ATOM 0 H ILE A 107 17.426 -7.338 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 107 18.772 -8.604 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 107 18.173 -5.634 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.978 -6.614 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.232 -5.581 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 107 20.463 -5.225 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 107 19.389 -6.020 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 107 20.624 -6.969 -2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.206 -7.708 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 107 21.428 -7.591 -4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 107 20.155 -8.640 -5.107 1.00 0.00 H new ATOM 1582 N GLY A 108 16.531 -6.739 -1.934 1.00 0.00 N ATOM 1583 CA GLY A 108 15.745 -6.619 -0.656 1.00 0.00 C ATOM 1584 C GLY A 108 14.971 -7.884 -0.286 1.00 0.00 C ATOM 1585 O GLY A 108 14.761 -8.150 0.879 1.00 0.00 O ATOM 0 H GLY A 108 16.377 -5.974 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.427 -6.371 0.157 1.00 0.00 H new ATOM 0 HA3 GLY A 108 15.044 -5.789 -0.748 1.00 0.00 H new ATOM 1589 N TYR A 109 14.575 -8.633 -1.280 1.00 0.00 N ATOM 1590 CA TYR A 109 13.793 -9.902 -1.070 1.00 0.00 C ATOM 1591 C TYR A 109 14.600 -10.884 -0.193 1.00 0.00 C ATOM 1592 O TYR A 109 14.069 -11.790 0.417 1.00 0.00 O ATOM 1593 CB TYR A 109 13.481 -10.446 -2.492 1.00 0.00 C ATOM 1594 CG TYR A 109 12.375 -11.513 -2.489 1.00 0.00 C ATOM 1595 CD1 TYR A 109 12.584 -12.764 -1.944 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.140 -11.229 -3.040 1.00 0.00 C ATOM 1597 CE1 TYR A 109 11.578 -13.710 -1.950 1.00 0.00 C ATOM 1598 CE2 TYR A 109 10.143 -12.177 -3.042 1.00 0.00 C ATOM 1599 CZ TYR A 109 10.355 -13.417 -2.501 1.00 0.00 C ATOM 1600 OH TYR A 109 9.334 -14.338 -2.528 1.00 0.00 O ATOM 0 H TYR A 109 14.763 -8.417 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 109 12.859 -9.743 -0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.181 -9.619 -3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.389 -10.870 -2.921 1.00 0.00 H new ATOM 0 HD1 TYR A 109 13.543 -13.005 -1.509 1.00 0.00 H new ATOM 0 HD2 TYR A 109 10.956 -10.256 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.754 -14.685 -1.519 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.182 -11.941 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 109 8.548 -13.942 -2.958 1.00 0.00 H new ATOM 1610 N GLN A 110 15.887 -10.672 -0.159 1.00 0.00 N ATOM 1611 CA GLN A 110 16.816 -11.526 0.652 1.00 0.00 C ATOM 1612 C GLN A 110 16.753 -11.107 2.157 1.00 0.00 C ATOM 1613 O GLN A 110 17.175 -11.828 3.039 1.00 0.00 O ATOM 1614 CB GLN A 110 18.224 -11.318 0.064 1.00 0.00 C ATOM 1615 CG GLN A 110 18.324 -11.864 -1.386 1.00 0.00 C ATOM 1616 CD GLN A 110 18.537 -13.366 -1.351 1.00 0.00 C ATOM 1617 OE1 GLN A 110 19.600 -13.847 -1.035 1.00 0.00 O ATOM 1618 NE2 GLN A 110 17.582 -14.178 -1.654 1.00 0.00 N ATOM 0 H GLN A 110 16.350 -9.922 -0.673 1.00 0.00 H new ATOM 0 HA GLN A 110 16.540 -12.580 0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.469 -10.256 0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.960 -11.819 0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.414 -11.628 -1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 110 19.149 -11.382 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.669 -13.813 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.739 -15.185 -1.622 1.00 0.00 H new ATOM 1627 N GLN A 111 16.227 -9.936 2.402 1.00 0.00 N ATOM 1628 CA GLN A 111 16.101 -9.396 3.801 1.00 0.00 C ATOM 1629 C GLN A 111 14.648 -9.221 4.278 1.00 0.00 C ATOM 1630 O GLN A 111 14.335 -9.499 5.418 1.00 0.00 O ATOM 1631 CB GLN A 111 16.847 -8.046 3.850 1.00 0.00 C ATOM 1632 CG GLN A 111 18.382 -8.284 3.777 1.00 0.00 C ATOM 1633 CD GLN A 111 18.815 -8.806 2.415 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.439 -9.933 2.340 1.00 0.00 O flip ATOM 1635 NE2 GLN A 111 18.587 -8.189 1.401 1.00 0.00 N flip ATOM 0 H GLN A 111 15.869 -9.312 1.678 1.00 0.00 H new ATOM 0 HA GLN A 111 16.538 -10.126 4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.529 -7.415 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.596 -7.516 4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.904 -7.351 3.990 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.675 -8.996 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.095 -7.297 1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.887 -8.560 0.500 1.00 0.00 H new ATOM 1644 N GLY A 112 13.808 -8.757 3.394 1.00 0.00 N ATOM 1645 CA GLY A 112 12.354 -8.533 3.714 1.00 0.00 C ATOM 1646 C GLY A 112 11.942 -7.072 3.628 1.00 0.00 C ATOM 1647 O GLY A 112 10.875 -6.706 4.080 1.00 0.00 O ATOM 0 H GLY A 112 14.068 -8.516 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.743 -9.118 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.148 -8.904 4.718 1.00 0.00 H new ATOM 1651 N HIS A 113 12.798 -6.264 3.059 1.00 0.00 N ATOM 1652 CA HIS A 113 12.490 -4.806 2.918 1.00 0.00 C ATOM 1653 C HIS A 113 13.308 -4.165 1.792 1.00 0.00 C ATOM 1654 O HIS A 113 14.358 -4.654 1.428 1.00 0.00 O ATOM 1655 CB HIS A 113 12.789 -4.087 4.265 1.00 0.00 C ATOM 1656 CG HIS A 113 14.286 -3.974 4.574 1.00 0.00 C ATOM 1657 ND1 HIS A 113 15.049 -4.892 5.076 1.00 0.00 N ATOM 1658 CD2 HIS A 113 15.119 -2.884 4.401 1.00 0.00 C ATOM 1659 CE1 HIS A 113 16.254 -4.411 5.207 1.00 0.00 C ATOM 1660 NE2 HIS A 113 16.341 -3.168 4.800 1.00 0.00 N ATOM 0 H HIS A 113 13.702 -6.551 2.684 1.00 0.00 H new ATOM 0 HA HIS A 113 11.435 -4.700 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.354 -3.088 4.240 1.00 0.00 H new ATOM 0 HB3 HIS A 113 12.298 -4.628 5.074 1.00 0.00 H new ATOM 0 HD1 HIS A 113 14.756 -5.836 5.328 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.810 -1.932 3.995 1.00 0.00 H new ATOM 0 HE1 HIS A 113 17.086 -4.973 5.606 1.00 0.00 H new ATOM 1668 N LEU A 114 12.789 -3.093 1.267 1.00 0.00 N ATOM 1669 CA LEU A 114 13.469 -2.348 0.158 1.00 0.00 C ATOM 1670 C LEU A 114 13.340 -0.827 0.413 1.00 0.00 C ATOM 1671 O LEU A 114 12.499 -0.372 1.161 1.00 0.00 O ATOM 1672 CB LEU A 114 12.777 -2.800 -1.168 1.00 0.00 C ATOM 1673 CG LEU A 114 13.243 -2.014 -2.429 1.00 0.00 C ATOM 1674 CD1 LEU A 114 14.734 -2.256 -2.728 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.441 -2.566 -3.629 1.00 0.00 C ATOM 0 H LEU A 114 11.901 -2.688 1.563 1.00 0.00 H new ATOM 0 HA LEU A 114 14.536 -2.562 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.971 -3.861 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.698 -2.685 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 114 13.086 -0.949 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.024 -1.692 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.333 -1.929 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.902 -3.319 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 114 12.737 -2.041 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.644 -3.631 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.376 -2.416 -3.454 1.00 0.00 H new ATOM 1687 N ASN A 115 14.166 -0.033 -0.192 1.00 0.00 N ATOM 1688 CA ASN A 115 14.064 1.442 0.020 1.00 0.00 C ATOM 1689 C ASN A 115 13.668 1.957 -1.367 1.00 0.00 C ATOM 1690 O ASN A 115 14.287 1.634 -2.363 1.00 0.00 O ATOM 1691 CB ASN A 115 15.426 1.942 0.492 1.00 0.00 C ATOM 1692 CG ASN A 115 15.328 3.432 0.790 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.435 3.867 1.612 1.00 0.00 O flip ATOM 1694 ND2 ASN A 115 16.067 4.236 0.280 1.00 0.00 N flip ATOM 0 H ASN A 115 14.908 -0.333 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 115 13.348 1.772 0.773 1.00 0.00 H new ATOM 0 HB2 ASN A 115 15.739 1.399 1.384 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.181 1.759 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.785 3.925 -0.375 1.00 0.00 H new ATOM 0 HD22 ASN A 115 15.975 5.227 0.503 1.00 0.00 H new ATOM 1701 N VAL A 116 12.625 2.733 -1.373 1.00 0.00 N ATOM 1702 CA VAL A 116 12.110 3.302 -2.656 1.00 0.00 C ATOM 1703 C VAL A 116 11.764 4.796 -2.524 1.00 0.00 C ATOM 1704 O VAL A 116 11.820 5.370 -1.452 1.00 0.00 O ATOM 1705 CB VAL A 116 10.836 2.451 -3.089 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.065 0.913 -2.935 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.596 2.838 -2.252 1.00 0.00 C ATOM 0 H VAL A 116 12.100 3.003 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 116 12.884 3.239 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 116 10.669 2.681 -4.141 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.166 0.379 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.903 0.605 -3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.286 0.681 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.742 2.241 -2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.797 2.652 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.374 3.895 -2.398 1.00 0.00 H new ATOM 1717 N ASN A 117 11.421 5.383 -3.634 1.00 0.00 N ATOM 1718 CA ASN A 117 11.042 6.831 -3.657 1.00 0.00 C ATOM 1719 C ASN A 117 9.678 6.851 -4.341 1.00 0.00 C ATOM 1720 O ASN A 117 9.489 6.091 -5.277 1.00 0.00 O ATOM 1721 CB ASN A 117 12.054 7.630 -4.494 1.00 0.00 C ATOM 1722 CG ASN A 117 13.439 7.207 -4.092 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.934 7.548 -3.052 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.113 6.451 -4.887 1.00 0.00 N ATOM 0 H ASN A 117 11.385 4.919 -4.542 1.00 0.00 H new ATOM 0 HA ASN A 117 11.024 7.274 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.895 7.448 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.921 8.699 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.053 6.150 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.707 6.153 -5.774 1.00 0.00 H new ATOM 1731 N TYR A 118 8.759 7.668 -3.909 1.00 0.00 N ATOM 1732 CA TYR A 118 7.467 7.631 -4.635 1.00 0.00 C ATOM 1733 C TYR A 118 6.821 8.998 -4.661 1.00 0.00 C ATOM 1734 O TYR A 118 6.965 9.784 -3.740 1.00 0.00 O ATOM 1735 CB TYR A 118 6.593 6.536 -3.943 1.00 0.00 C ATOM 1736 CG TYR A 118 6.254 6.814 -2.469 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.428 7.857 -2.093 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.790 6.002 -1.488 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.154 8.074 -0.748 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.513 6.227 -0.160 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.702 7.255 0.214 1.00 0.00 C ATOM 1742 OH TYR A 118 5.456 7.455 1.551 1.00 0.00 O ATOM 0 H TYR A 118 8.838 8.323 -3.131 1.00 0.00 H new ATOM 0 HA TYR A 118 7.599 7.369 -5.685 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.663 6.428 -4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.115 5.581 -4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.996 8.502 -2.844 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.434 5.181 -1.767 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.508 8.889 -0.456 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.942 5.583 0.593 1.00 0.00 H new ATOM 0 HH TYR A 118 4.582 7.884 1.662 1.00 0.00 H new ATOM 1752 N GLN A 119 6.125 9.277 -5.717 1.00 0.00 N ATOM 1753 CA GLN A 119 5.457 10.597 -5.810 1.00 0.00 C ATOM 1754 C GLN A 119 4.054 10.441 -6.361 1.00 0.00 C ATOM 1755 O GLN A 119 3.862 9.771 -7.363 1.00 0.00 O ATOM 1756 CB GLN A 119 6.340 11.495 -6.709 1.00 0.00 C ATOM 1757 CG GLN A 119 6.938 12.679 -5.897 1.00 0.00 C ATOM 1758 CD GLN A 119 5.913 13.771 -5.596 1.00 0.00 C ATOM 1759 OE1 GLN A 119 4.801 13.516 -4.994 1.00 0.00 O flip ATOM 1760 NE2 GLN A 119 6.106 14.925 -5.898 1.00 0.00 N flip ATOM 0 H GLN A 119 5.989 8.656 -6.515 1.00 0.00 H new ATOM 0 HA GLN A 119 5.351 11.057 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 119 7.146 10.902 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.747 11.881 -7.538 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.345 12.301 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.769 13.112 -6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 119 6.967 15.190 -6.376 1.00 0.00 H new ATOM 0 HE22 GLN A 119 5.408 15.634 -5.675 1.00 0.00 H new ATOM 1769 N PHE A 120 3.109 11.036 -5.677 1.00 0.00 N ATOM 1770 CA PHE A 120 1.705 10.950 -6.156 1.00 0.00 C ATOM 1771 C PHE A 120 1.650 11.505 -7.585 1.00 0.00 C ATOM 1772 O PHE A 120 2.092 12.603 -7.888 1.00 0.00 O ATOM 1773 CB PHE A 120 0.839 11.764 -5.214 1.00 0.00 C ATOM 1774 CG PHE A 120 0.280 10.863 -4.103 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.060 9.956 -3.409 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.055 10.958 -3.795 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.497 9.160 -2.426 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.618 10.171 -2.820 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.844 9.267 -2.130 1.00 0.00 C ATOM 0 H PHE A 120 3.250 11.570 -4.819 1.00 0.00 H new ATOM 0 HA PHE A 120 1.342 9.922 -6.169 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.424 12.573 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.020 12.225 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.112 9.868 -3.635 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.673 11.664 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.112 8.452 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.670 10.262 -2.595 1.00 0.00 H new ATOM 0 HZ PHE A 120 -1.284 8.647 -1.363 1.00 0.00 H new ATOM 1789 N VAL A 121 1.080 10.689 -8.424 1.00 0.00 N ATOM 1790 CA VAL A 121 0.947 11.061 -9.861 1.00 0.00 C ATOM 1791 C VAL A 121 -0.506 10.885 -10.331 1.00 0.00 C ATOM 1792 O VAL A 121 -1.189 9.914 -10.047 1.00 0.00 O ATOM 1793 CB VAL A 121 2.004 10.159 -10.593 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.421 9.312 -11.724 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.113 11.037 -11.194 1.00 0.00 C ATOM 0 H VAL A 121 0.698 9.776 -8.177 1.00 0.00 H new ATOM 0 HA VAL A 121 1.151 12.110 -10.076 1.00 0.00 H new ATOM 0 HB VAL A 121 2.386 9.480 -9.830 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.213 8.718 -12.179 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.654 8.649 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.979 9.965 -12.477 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.843 10.405 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.677 11.734 -11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.606 11.595 -10.398 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.934 11.865 -11.071 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.322 11.839 -11.610 1.00 0.00 C ATOM 1807 C ASP A 122 -2.287 11.139 -12.978 1.00 0.00 C ATOM 1808 O ASP A 122 -1.557 11.550 -13.858 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.805 13.297 -11.737 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.126 13.334 -12.513 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.949 12.466 -12.273 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.236 14.245 -13.306 1.00 0.00 O ATOM 0 H ASP A 122 -0.384 12.685 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.007 11.297 -10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.940 13.734 -10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.053 13.897 -12.250 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.074 10.110 -13.137 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.085 9.392 -14.448 1.00 0.00 C ATOM 1819 C CYS A 123 -4.100 9.935 -15.458 1.00 0.00 C ATOM 1820 O CYS A 123 -4.235 9.354 -16.519 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.384 7.905 -14.229 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.031 6.787 -13.791 1.00 0.00 S ATOM 0 H CYS A 123 -3.704 9.737 -12.427 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.092 9.550 -14.869 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.136 7.834 -13.443 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.841 7.524 -15.142 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.771 11.017 -15.131 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.784 11.590 -16.082 1.00 0.00 C ATOM 1829 C ARG A 124 -6.680 10.502 -16.755 1.00 0.00 C ATOM 1830 O ARG A 124 -6.575 10.258 -17.942 1.00 0.00 O ATOM 1831 CB ARG A 124 -4.990 12.403 -17.149 1.00 0.00 C ATOM 1832 CG ARG A 124 -4.320 13.645 -16.507 1.00 0.00 C ATOM 1833 CD ARG A 124 -3.304 14.303 -17.462 1.00 0.00 C ATOM 1834 NE ARG A 124 -3.921 14.410 -18.832 1.00 0.00 N ATOM 1835 CZ ARG A 124 -3.202 14.399 -19.888 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -2.733 15.515 -20.271 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -2.999 13.301 -20.493 1.00 0.00 N ATOM 0 H ARG A 124 -4.663 11.526 -14.254 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.479 12.224 -15.532 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.230 11.769 -17.605 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -5.662 12.718 -17.947 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -5.086 14.371 -16.234 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.816 13.351 -15.586 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.027 15.291 -17.095 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -2.390 13.711 -17.506 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.934 14.493 -18.918 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.937 16.363 -19.742 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.152 15.564 -21.108 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -3.409 12.438 -20.135 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -2.426 13.282 -21.337 1.00 0.00 H new ATOM 1851 N ASP A 125 -7.530 9.895 -15.965 1.00 0.00 N ATOM 1852 CA ASP A 125 -8.457 8.828 -16.468 1.00 0.00 C ATOM 1853 C ASP A 125 -9.680 9.571 -17.091 1.00 0.00 C ATOM 1854 O ASP A 125 -9.703 9.560 -18.315 1.00 0.00 O ATOM 1855 CB ASP A 125 -8.794 7.927 -15.202 1.00 0.00 C ATOM 1856 CG ASP A 125 -9.626 6.663 -15.473 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -9.249 5.863 -16.318 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -10.619 6.555 -14.772 1.00 0.00 O ATOM 1859 OXT ASP A 125 -10.498 10.112 -16.358 1.00 0.00 O ATOM 0 H ASP A 125 -7.624 10.097 -14.970 1.00 0.00 H new ATOM 0 HA ASP A 125 -8.058 8.172 -17.242 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.856 7.627 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.329 8.541 -14.477 1.00 0.00 H new TER 1864 ASP A 125