USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1090 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 45 GLN : amide:sc= -5.78! C(o=-5.8!,f=-3.4!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= -7.92! C(o=-8.6!,f=-4.9!) USER MOD Set 2.2: A 101 MET CE :methyl -122:sc= -0.723 (180deg=-2.6!) USER MOD Set 3.1: A 29 TYR OH : rot 1:sc= -2.21 USER MOD Set 3.2: A 53 SER OG : rot 121:sc= -0.715! USER MOD Single : A 8 GLN : amide:sc= -1.59 X(o=-1.6,f=-1.7!) USER MOD Single : A 10 SER OG : rot 111:sc= 1.26 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -6.21! C(o=-6.2!,f=-13!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 66:sc= -2.93 USER MOD Single : A 25 CYS SG : rot 71:sc= 0.177 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 37 HIS : no HD1:sc= -0.0575 X(o=-0.057,f=-0.057) USER MOD Single : A 41 GLN : amide:sc=-0.00996 K(o=-0.01,f=-1.8!) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.07 USER MOD Single : A 46 ASN : amide:sc= -5.86! C(o=-5.9!,f=-18!) USER MOD Single : A 48 CYS SG : rot -179:sc= -6.32! USER MOD Single : A 60 THR OG1 : rot 120:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 63 ASN : amide:sc= -1.86 K(o=-1.9,f=-3.5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 130:sc= -0.228 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 77 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.4!) USER MOD Single : A 79 GLN : amide:sc=-0.00476 X(o=-0.0048,f=-0.38) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= -0.864 (180deg=-1.3) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -112:sc= -1.26 (180deg=-3.57!) USER MOD Single : A 104 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.8!) USER MOD Single : A 107 CYS SG : rot -146:sc= -16.4! USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= -6.76! C(o=-6.8!,f=-5.8!) USER MOD Single : A 122 MET CE :methyl 138:sc= -0.056 (180deg=-0.832) USER MOD Single : A 124 CYS SG : rot 11:sc= 0.933 USER MOD Single : A 133 GLN : amide:sc= -0.891 K(o=-0.89,f=0) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 141 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -15.263 -25.650 6.047 1.00 0.00 N ATOM 2 CA VAL A 4 -14.975 -24.654 4.972 1.00 0.00 C ATOM 3 C VAL A 4 -14.435 -25.374 3.723 1.00 0.00 C ATOM 4 O VAL A 4 -14.061 -26.531 3.777 1.00 0.00 O ATOM 5 CB VAL A 4 -13.930 -23.654 5.477 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.912 -22.427 4.573 1.00 0.00 C ATOM 7 CG2 VAL A 4 -14.286 -23.215 6.894 1.00 0.00 C ATOM 0 HA VAL A 4 -15.893 -24.127 4.712 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.950 -24.131 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.167 -21.719 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.661 -22.728 3.556 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.895 -21.956 4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.542 -22.504 7.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.268 -22.743 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.302 -24.085 7.551 1.00 0.00 H new ATOM 17 N VAL A 5 -14.385 -24.697 2.599 1.00 0.00 N ATOM 18 CA VAL A 5 -13.858 -25.341 1.352 1.00 0.00 C ATOM 19 C VAL A 5 -12.339 -25.550 1.507 1.00 0.00 C ATOM 20 O VAL A 5 -11.654 -24.667 1.977 1.00 0.00 O ATOM 21 CB VAL A 5 -14.154 -24.422 0.150 1.00 0.00 C ATOM 22 CG1 VAL A 5 -13.281 -23.168 0.236 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.861 -25.165 -1.166 1.00 0.00 C ATOM 0 H VAL A 5 -14.686 -23.728 2.491 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.337 -26.306 1.186 1.00 0.00 H new ATOM 0 HB VAL A 5 -15.206 -24.136 0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.491 -22.519 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -13.499 -22.635 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.230 -23.455 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -14.073 -24.508 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.812 -25.461 -1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -14.490 -26.053 -1.230 1.00 0.00 H new ATOM 33 N PRO A 6 -11.801 -26.699 1.123 1.00 0.00 N ATOM 34 CA PRO A 6 -10.334 -26.969 1.243 1.00 0.00 C ATOM 35 C PRO A 6 -9.528 -26.269 0.151 1.00 0.00 C ATOM 36 O PRO A 6 -8.330 -26.425 0.060 1.00 0.00 O ATOM 37 CB PRO A 6 -10.233 -28.495 1.094 1.00 0.00 C ATOM 38 CG PRO A 6 -11.381 -28.862 0.216 1.00 0.00 C ATOM 39 CD PRO A 6 -12.507 -27.867 0.543 1.00 0.00 C ATOM 0 HA PRO A 6 -9.927 -26.596 2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.283 -28.788 0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.298 -28.993 2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.101 -28.801 -0.836 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.701 -29.887 0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.067 -27.591 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.222 -28.291 1.248 1.00 0.00 H new ATOM 47 N ASP A 7 -10.180 -25.513 -0.688 1.00 0.00 N ATOM 48 CA ASP A 7 -9.437 -24.824 -1.784 1.00 0.00 C ATOM 49 C ASP A 7 -8.735 -23.560 -1.260 1.00 0.00 C ATOM 50 O ASP A 7 -8.045 -22.891 -1.997 1.00 0.00 O ATOM 51 CB ASP A 7 -10.397 -24.489 -2.945 1.00 0.00 C ATOM 52 CG ASP A 7 -11.331 -23.318 -2.603 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.986 -22.513 -1.756 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.386 -23.246 -3.214 1.00 0.00 O ATOM 0 H ASP A 7 -11.185 -25.342 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.665 -25.496 -2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.817 -24.242 -3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.993 -25.369 -3.187 1.00 0.00 H new ATOM 59 N GLN A 8 -8.874 -23.240 0.003 1.00 0.00 N ATOM 60 CA GLN A 8 -8.176 -22.029 0.521 1.00 0.00 C ATOM 61 C GLN A 8 -6.721 -22.405 0.786 1.00 0.00 C ATOM 62 O GLN A 8 -5.804 -21.964 0.122 1.00 0.00 O ATOM 63 CB GLN A 8 -8.799 -21.591 1.853 1.00 0.00 C ATOM 64 CG GLN A 8 -10.306 -21.442 1.695 1.00 0.00 C ATOM 65 CD GLN A 8 -10.920 -20.978 3.029 1.00 0.00 C ATOM 66 OE1 GLN A 8 -10.313 -21.119 4.072 1.00 0.00 O ATOM 67 NE2 GLN A 8 -12.102 -20.416 3.036 1.00 0.00 N ATOM 0 H GLN A 8 -9.430 -23.756 0.685 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.259 -21.220 -0.205 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.576 -22.325 2.628 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.363 -20.645 2.175 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.530 -20.721 0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.746 -22.392 1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.615 -20.296 2.162 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.510 -20.098 3.915 1.00 0.00 H new ATOM 76 N ARG A 9 -6.532 -23.240 1.765 1.00 0.00 N ATOM 77 CA ARG A 9 -5.173 -23.714 2.144 1.00 0.00 C ATOM 78 C ARG A 9 -4.466 -24.345 0.947 1.00 0.00 C ATOM 79 O ARG A 9 -3.268 -24.231 0.789 1.00 0.00 O ATOM 80 CB ARG A 9 -5.293 -24.768 3.248 1.00 0.00 C ATOM 81 CG ARG A 9 -3.902 -25.068 3.809 1.00 0.00 C ATOM 82 CD ARG A 9 -4.009 -26.137 4.910 1.00 0.00 C ATOM 83 NE ARG A 9 -4.893 -25.645 6.006 1.00 0.00 N ATOM 84 CZ ARG A 9 -5.348 -26.479 6.904 1.00 0.00 C ATOM 85 NH1 ARG A 9 -4.943 -27.724 6.911 1.00 0.00 N ATOM 86 NH2 ARG A 9 -6.194 -26.061 7.810 1.00 0.00 N ATOM 0 H ARG A 9 -7.285 -23.625 2.335 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.595 -22.857 2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.948 -24.408 4.041 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.742 -25.678 2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.245 -25.417 3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.458 -24.158 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.409 -27.062 4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.019 -26.367 5.304 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.143 -24.657 6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.271 -28.046 6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.300 -28.372 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.497 -25.087 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.551 -26.709 8.512 1.00 0.00 H new ATOM 100 N SER A 10 -5.184 -25.072 0.137 1.00 0.00 N ATOM 101 CA SER A 10 -4.533 -25.774 -1.002 1.00 0.00 C ATOM 102 C SER A 10 -3.800 -24.804 -1.945 1.00 0.00 C ATOM 103 O SER A 10 -2.629 -24.973 -2.200 1.00 0.00 O ATOM 104 CB SER A 10 -5.602 -26.528 -1.776 1.00 0.00 C ATOM 105 OG SER A 10 -6.207 -27.484 -0.912 1.00 0.00 O ATOM 0 H SER A 10 -6.192 -25.210 0.215 1.00 0.00 H new ATOM 0 HA SER A 10 -3.784 -26.457 -0.600 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.352 -25.835 -2.156 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.162 -27.026 -2.640 1.00 0.00 H new ATOM 0 HG SER A 10 -7.132 -27.218 -0.727 1.00 0.00 H new ATOM 111 N LYS A 11 -4.439 -23.791 -2.466 1.00 0.00 N ATOM 112 CA LYS A 11 -3.684 -22.876 -3.372 1.00 0.00 C ATOM 113 C LYS A 11 -2.599 -22.163 -2.568 1.00 0.00 C ATOM 114 O LYS A 11 -1.464 -22.061 -2.987 1.00 0.00 O ATOM 115 CB LYS A 11 -4.641 -21.864 -4.036 1.00 0.00 C ATOM 116 CG LYS A 11 -5.113 -20.803 -3.034 1.00 0.00 C ATOM 117 CD LYS A 11 -6.185 -19.903 -3.696 1.00 0.00 C ATOM 118 CE LYS A 11 -7.569 -20.545 -3.541 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.607 -19.704 -4.206 1.00 0.00 N ATOM 0 H LYS A 11 -5.421 -23.561 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.214 -23.453 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.138 -21.379 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.504 -22.390 -4.445 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.525 -21.284 -2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.268 -20.198 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.179 -18.915 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.955 -19.764 -4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.565 -21.544 -3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.807 -20.661 -2.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.540 -20.150 -4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.620 -18.760 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.386 -19.615 -5.218 1.00 0.00 H new ATOM 133 N PHE A 12 -2.941 -21.684 -1.407 1.00 0.00 N ATOM 134 CA PHE A 12 -1.941 -20.994 -0.558 1.00 0.00 C ATOM 135 C PHE A 12 -0.764 -21.935 -0.182 1.00 0.00 C ATOM 136 O PHE A 12 0.370 -21.508 -0.110 1.00 0.00 O ATOM 137 CB PHE A 12 -2.630 -20.460 0.707 1.00 0.00 C ATOM 138 CG PHE A 12 -1.579 -19.996 1.688 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.090 -18.683 1.643 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.069 -20.904 2.631 1.00 0.00 C ATOM 141 CE1 PHE A 12 -0.093 -18.280 2.543 1.00 0.00 C ATOM 142 CE2 PHE A 12 -0.078 -20.500 3.534 1.00 0.00 C ATOM 143 CZ PHE A 12 0.413 -19.188 3.488 1.00 0.00 C ATOM 0 H PHE A 12 -3.878 -21.743 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.521 -20.162 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.296 -19.635 0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.245 -21.239 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.480 -17.984 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.443 -21.917 2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.287 -17.269 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.307 -21.197 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.181 -18.875 4.180 1.00 0.00 H new ATOM 153 N GLU A 13 -1.016 -23.188 0.121 1.00 0.00 N ATOM 154 CA GLU A 13 0.116 -24.088 0.540 1.00 0.00 C ATOM 155 C GLU A 13 0.996 -24.554 -0.644 1.00 0.00 C ATOM 156 O GLU A 13 2.141 -24.900 -0.443 1.00 0.00 O ATOM 157 CB GLU A 13 -0.427 -25.305 1.307 1.00 0.00 C ATOM 158 CG GLU A 13 -0.948 -26.383 0.354 1.00 0.00 C ATOM 159 CD GLU A 13 -1.723 -27.439 1.151 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.807 -27.302 2.361 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.223 -28.371 0.537 1.00 0.00 O ATOM 0 H GLU A 13 -1.938 -23.623 0.098 1.00 0.00 H new ATOM 0 HA GLU A 13 0.758 -23.496 1.192 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.361 -25.722 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.230 -24.988 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.594 -25.935 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.116 -26.849 -0.175 1.00 0.00 H new ATOM 168 N ASN A 14 0.484 -24.598 -1.856 1.00 0.00 N ATOM 169 CA ASN A 14 1.333 -25.081 -3.011 1.00 0.00 C ATOM 170 C ASN A 14 1.918 -23.913 -3.821 1.00 0.00 C ATOM 171 O ASN A 14 2.891 -24.084 -4.532 1.00 0.00 O ATOM 172 CB ASN A 14 0.489 -25.952 -3.942 1.00 0.00 C ATOM 173 CG ASN A 14 -0.779 -25.211 -4.330 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.745 -24.051 -4.676 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.912 -25.840 -4.268 1.00 0.00 N ATOM 0 H ASN A 14 -0.469 -24.326 -2.098 1.00 0.00 H new ATOM 0 HA ASN A 14 2.159 -25.655 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.060 -26.206 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.236 -26.890 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.777 -25.357 -4.511 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.938 -26.817 -3.976 1.00 0.00 H new ATOM 182 N GLU A 15 1.368 -22.731 -3.749 1.00 0.00 N ATOM 183 CA GLU A 15 1.971 -21.615 -4.553 1.00 0.00 C ATOM 184 C GLU A 15 3.173 -21.045 -3.810 1.00 0.00 C ATOM 185 O GLU A 15 3.050 -20.518 -2.723 1.00 0.00 O ATOM 186 CB GLU A 15 0.944 -20.498 -4.795 1.00 0.00 C ATOM 187 CG GLU A 15 -0.193 -21.010 -5.685 1.00 0.00 C ATOM 188 CD GLU A 15 0.341 -21.433 -7.063 1.00 0.00 C ATOM 189 OE1 GLU A 15 0.753 -22.576 -7.194 1.00 0.00 O ATOM 190 OE2 GLU A 15 0.317 -20.611 -7.965 1.00 0.00 O ATOM 0 H GLU A 15 0.552 -22.488 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 15 2.284 -22.014 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.542 -20.150 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.429 -19.644 -5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.684 -21.856 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.946 -20.231 -5.805 1.00 0.00 H new ATOM 197 N GLU A 16 4.338 -21.135 -4.392 1.00 0.00 N ATOM 198 CA GLU A 16 5.547 -20.580 -3.717 1.00 0.00 C ATOM 199 C GLU A 16 5.619 -19.071 -3.973 1.00 0.00 C ATOM 200 O GLU A 16 6.493 -18.384 -3.487 1.00 0.00 O ATOM 201 CB GLU A 16 6.800 -21.286 -4.244 1.00 0.00 C ATOM 202 CG GLU A 16 6.748 -22.749 -3.812 1.00 0.00 C ATOM 203 CD GLU A 16 7.969 -23.487 -4.358 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.766 -22.852 -5.026 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.079 -24.677 -4.112 1.00 0.00 O ATOM 0 H GLU A 16 4.505 -21.566 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 16 5.486 -20.749 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.847 -21.213 -5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.698 -20.807 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.725 -22.817 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.834 -23.215 -4.180 1.00 0.00 H new ATOM 212 N PHE A 17 4.711 -18.559 -4.749 1.00 0.00 N ATOM 213 CA PHE A 17 4.712 -17.097 -5.072 1.00 0.00 C ATOM 214 C PHE A 17 4.731 -16.212 -3.810 1.00 0.00 C ATOM 215 O PHE A 17 4.975 -15.026 -3.909 1.00 0.00 O ATOM 216 CB PHE A 17 3.462 -16.793 -5.937 1.00 0.00 C ATOM 217 CG PHE A 17 2.914 -15.388 -5.686 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.668 -14.252 -6.028 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.649 -15.234 -5.100 1.00 0.00 C ATOM 220 CE1 PHE A 17 3.153 -12.968 -5.784 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.138 -13.952 -4.861 1.00 0.00 C ATOM 222 CZ PHE A 17 1.889 -12.820 -5.202 1.00 0.00 C ATOM 0 H PHE A 17 3.957 -19.092 -5.182 1.00 0.00 H new ATOM 0 HA PHE A 17 5.625 -16.860 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.717 -16.899 -6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.686 -17.528 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.643 -14.366 -6.478 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.069 -16.105 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.733 -12.095 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.162 -13.836 -4.413 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.493 -11.833 -5.016 1.00 0.00 H new ATOM 232 N PHE A 18 4.452 -16.719 -2.645 1.00 0.00 N ATOM 233 CA PHE A 18 4.438 -15.808 -1.465 1.00 0.00 C ATOM 234 C PHE A 18 5.861 -15.478 -1.013 1.00 0.00 C ATOM 235 O PHE A 18 6.275 -14.338 -1.016 1.00 0.00 O ATOM 236 CB PHE A 18 3.696 -16.510 -0.335 1.00 0.00 C ATOM 237 CG PHE A 18 2.361 -16.973 -0.869 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.414 -16.033 -1.283 1.00 0.00 C ATOM 239 CD2 PHE A 18 2.086 -18.339 -0.977 1.00 0.00 C ATOM 240 CE1 PHE A 18 0.185 -16.461 -1.802 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.867 -18.766 -1.496 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.087 -17.831 -1.909 1.00 0.00 C ATOM 0 H PHE A 18 4.238 -17.698 -2.457 1.00 0.00 H new ATOM 0 HA PHE A 18 3.944 -14.874 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.274 -17.358 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.555 -15.832 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.629 -14.978 -1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.820 -19.064 -0.657 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.551 -15.737 -2.119 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.658 -19.822 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.033 -18.165 -2.310 1.00 0.00 H new ATOM 252 N ARG A 19 6.623 -16.451 -0.634 1.00 0.00 N ATOM 253 CA ARG A 19 8.011 -16.150 -0.200 1.00 0.00 C ATOM 254 C ARG A 19 8.798 -15.487 -1.348 1.00 0.00 C ATOM 255 O ARG A 19 9.626 -14.629 -1.119 1.00 0.00 O ATOM 256 CB ARG A 19 8.713 -17.446 0.267 1.00 0.00 C ATOM 257 CG ARG A 19 8.159 -18.663 -0.509 1.00 0.00 C ATOM 258 CD ARG A 19 6.980 -19.303 0.249 1.00 0.00 C ATOM 259 NE ARG A 19 7.505 -20.359 1.180 1.00 0.00 N ATOM 260 CZ ARG A 19 8.115 -21.412 0.726 1.00 0.00 C ATOM 261 NH1 ARG A 19 8.155 -21.639 -0.559 1.00 0.00 N ATOM 262 NH2 ARG A 19 8.685 -22.240 1.552 1.00 0.00 N ATOM 0 H ARG A 19 6.354 -17.434 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 19 7.977 -15.454 0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.788 -17.363 0.108 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.559 -17.587 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.833 -18.350 -1.501 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.949 -19.400 -0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.438 -18.543 0.811 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.274 -19.742 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 19 7.380 -20.247 2.186 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.707 -20.990 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.634 -22.466 -0.916 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.653 -22.062 2.556 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.164 -23.067 1.196 1.00 0.00 H new ATOM 276 N LYS A 20 8.568 -15.890 -2.581 1.00 0.00 N ATOM 277 CA LYS A 20 9.339 -15.284 -3.714 1.00 0.00 C ATOM 278 C LYS A 20 9.110 -13.771 -3.821 1.00 0.00 C ATOM 279 O LYS A 20 10.022 -13.032 -4.134 1.00 0.00 O ATOM 280 CB LYS A 20 8.971 -15.951 -5.050 1.00 0.00 C ATOM 281 CG LYS A 20 9.402 -17.417 -5.025 1.00 0.00 C ATOM 282 CD LYS A 20 9.281 -18.024 -6.423 1.00 0.00 C ATOM 283 CE LYS A 20 7.815 -18.176 -6.807 1.00 0.00 C ATOM 284 NZ LYS A 20 7.718 -19.085 -7.979 1.00 0.00 N ATOM 0 H LYS A 20 7.888 -16.603 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 20 10.394 -15.457 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.897 -15.880 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.459 -15.432 -5.874 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.431 -17.496 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.782 -17.975 -4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.790 -17.389 -7.148 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.774 -18.996 -6.449 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.245 -18.578 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.385 -17.204 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.720 -19.196 -8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.251 -18.682 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.115 -20.014 -7.732 1.00 0.00 H new ATOM 298 N LEU A 21 7.912 -13.293 -3.588 1.00 0.00 N ATOM 299 CA LEU A 21 7.663 -11.812 -3.706 1.00 0.00 C ATOM 300 C LEU A 21 6.860 -11.291 -2.512 1.00 0.00 C ATOM 301 O LEU A 21 6.959 -10.135 -2.159 1.00 0.00 O ATOM 302 CB LEU A 21 6.883 -11.516 -4.991 1.00 0.00 C ATOM 303 CG LEU A 21 7.735 -11.808 -6.234 1.00 0.00 C ATOM 304 CD1 LEU A 21 6.871 -11.590 -7.477 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.948 -10.854 -6.290 1.00 0.00 C ATOM 0 H LEU A 21 7.101 -13.852 -3.324 1.00 0.00 H new ATOM 0 HA LEU A 21 8.631 -11.311 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.977 -12.121 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.570 -10.472 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 21 8.097 -12.835 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.461 -11.793 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.014 -12.263 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.521 -10.558 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.543 -11.073 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.598 -9.823 -6.334 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.561 -10.992 -5.399 1.00 0.00 H new ATOM 317 N SER A 22 6.057 -12.110 -1.877 1.00 0.00 N ATOM 318 CA SER A 22 5.278 -11.597 -0.711 1.00 0.00 C ATOM 319 C SER A 22 6.168 -11.640 0.530 1.00 0.00 C ATOM 320 O SER A 22 5.939 -12.393 1.456 1.00 0.00 O ATOM 321 CB SER A 22 4.015 -12.428 -0.486 1.00 0.00 C ATOM 322 OG SER A 22 4.340 -13.616 0.229 1.00 0.00 O ATOM 0 H SER A 22 5.910 -13.092 -2.110 1.00 0.00 H new ATOM 0 HA SER A 22 4.967 -10.572 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.281 -11.847 0.071 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.560 -12.682 -1.444 1.00 0.00 H new ATOM 0 HG SER A 22 4.640 -13.382 1.132 1.00 0.00 H new ATOM 328 N ARG A 23 7.200 -10.845 0.541 1.00 0.00 N ATOM 329 CA ARG A 23 8.143 -10.832 1.698 1.00 0.00 C ATOM 330 C ARG A 23 8.710 -9.410 1.844 1.00 0.00 C ATOM 331 O ARG A 23 8.244 -8.497 1.193 1.00 0.00 O ATOM 332 CB ARG A 23 9.278 -11.838 1.409 1.00 0.00 C ATOM 333 CG ARG A 23 9.788 -12.469 2.714 1.00 0.00 C ATOM 334 CD ARG A 23 8.873 -13.632 3.128 1.00 0.00 C ATOM 335 NE ARG A 23 9.063 -13.934 4.572 1.00 0.00 N ATOM 336 CZ ARG A 23 8.208 -14.698 5.181 1.00 0.00 C ATOM 337 NH1 ARG A 23 7.240 -15.261 4.511 1.00 0.00 N ATOM 338 NH2 ARG A 23 8.332 -14.920 6.452 1.00 0.00 N ATOM 0 H ARG A 23 7.435 -10.196 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 23 7.640 -11.114 2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.918 -12.618 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.098 -11.333 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.808 -12.828 2.579 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.816 -11.718 3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.832 -13.374 2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.099 -14.515 2.530 1.00 0.00 H new ATOM 0 HE ARG A 23 9.858 -13.544 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.154 -15.101 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.569 -15.861 4.991 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.100 -14.495 6.971 1.00 0.00 H new ATOM 0 HH22 ARG A 23 7.662 -15.520 6.933 1.00 0.00 H new ATOM 352 N GLU A 24 9.703 -9.217 2.689 1.00 0.00 N ATOM 353 CA GLU A 24 10.304 -7.852 2.850 1.00 0.00 C ATOM 354 C GLU A 24 10.948 -7.426 1.537 1.00 0.00 C ATOM 355 O GLU A 24 11.900 -8.030 1.082 1.00 0.00 O ATOM 356 CB GLU A 24 11.348 -7.870 3.976 1.00 0.00 C ATOM 357 CG GLU A 24 12.432 -8.923 3.702 1.00 0.00 C ATOM 358 CD GLU A 24 13.156 -9.243 5.011 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.248 -8.353 5.841 1.00 0.00 O ATOM 360 OE2 GLU A 24 13.605 -10.365 5.163 1.00 0.00 O ATOM 0 H GLU A 24 10.120 -9.944 3.270 1.00 0.00 H new ATOM 0 HA GLU A 24 9.523 -7.138 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.807 -6.885 4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.860 -8.084 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.984 -9.827 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.140 -8.551 2.961 1.00 0.00 H new ATOM 367 N CYS A 25 10.434 -6.389 0.916 1.00 0.00 N ATOM 368 CA CYS A 25 11.018 -5.921 -0.381 1.00 0.00 C ATOM 369 C CYS A 25 11.230 -4.407 -0.354 1.00 0.00 C ATOM 370 O CYS A 25 10.507 -3.675 0.291 1.00 0.00 O ATOM 371 CB CYS A 25 10.056 -6.267 -1.516 1.00 0.00 C ATOM 372 SG CYS A 25 9.936 -8.064 -1.691 1.00 0.00 S ATOM 0 H CYS A 25 9.637 -5.848 1.251 1.00 0.00 H new ATOM 0 HA CYS A 25 11.979 -6.413 -0.534 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.072 -5.846 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.405 -5.824 -2.449 1.00 0.00 H new ATOM 0 HG CYS A 25 9.280 -8.555 -0.682 1.00 0.00 H new ATOM 378 N GLU A 26 12.199 -3.934 -1.090 1.00 0.00 N ATOM 379 CA GLU A 26 12.441 -2.468 -1.160 1.00 0.00 C ATOM 380 C GLU A 26 11.242 -1.832 -1.858 1.00 0.00 C ATOM 381 O GLU A 26 10.621 -2.453 -2.696 1.00 0.00 O ATOM 382 CB GLU A 26 13.712 -2.210 -1.964 1.00 0.00 C ATOM 383 CG GLU A 26 14.887 -2.853 -1.233 1.00 0.00 C ATOM 384 CD GLU A 26 15.145 -2.108 0.083 1.00 0.00 C ATOM 385 OE1 GLU A 26 14.920 -0.909 0.120 1.00 0.00 O ATOM 386 OE2 GLU A 26 15.563 -2.751 1.032 1.00 0.00 O ATOM 0 H GLU A 26 12.835 -4.504 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 26 12.564 -2.043 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.617 -2.626 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.877 -1.139 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.673 -3.903 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.778 -2.824 -1.860 1.00 0.00 H new ATOM 393 N ILE A 27 10.900 -0.614 -1.525 1.00 0.00 N ATOM 394 CA ILE A 27 9.724 0.036 -2.182 1.00 0.00 C ATOM 395 C ILE A 27 10.023 1.500 -2.486 1.00 0.00 C ATOM 396 O ILE A 27 10.785 2.160 -1.789 1.00 0.00 O ATOM 397 CB ILE A 27 8.496 -0.071 -1.265 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.646 0.828 -0.019 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.329 -1.522 -0.831 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.371 0.771 0.840 1.00 0.00 C ATOM 0 H ILE A 27 11.381 -0.043 -0.830 1.00 0.00 H new ATOM 0 HA ILE A 27 9.518 -0.476 -3.122 1.00 0.00 H new ATOM 0 HB ILE A 27 7.618 0.264 -1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.504 0.504 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.840 1.856 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.460 -1.609 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.188 -2.151 -1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.220 -1.846 -0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.493 1.410 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.521 1.118 0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.195 -0.255 1.162 1.00 0.00 H new ATOM 412 N LYS A 28 9.398 2.014 -3.516 1.00 0.00 N ATOM 413 CA LYS A 28 9.598 3.434 -3.905 1.00 0.00 C ATOM 414 C LYS A 28 8.246 4.003 -4.368 1.00 0.00 C ATOM 415 O LYS A 28 7.576 3.415 -5.201 1.00 0.00 O ATOM 416 CB LYS A 28 10.612 3.494 -5.056 1.00 0.00 C ATOM 417 CG LYS A 28 11.016 4.952 -5.294 1.00 0.00 C ATOM 418 CD LYS A 28 11.926 5.060 -6.528 1.00 0.00 C ATOM 419 CE LYS A 28 13.210 4.254 -6.316 1.00 0.00 C ATOM 420 NZ LYS A 28 14.265 4.777 -7.230 1.00 0.00 N ATOM 0 H LYS A 28 8.749 1.497 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 28 9.974 4.017 -3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.490 2.895 -4.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.177 3.072 -5.962 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.126 5.564 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.534 5.341 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.400 4.693 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.172 6.105 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.537 4.332 -5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.029 3.198 -6.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.142 4.235 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.949 4.681 -8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.441 5.780 -7.019 1.00 0.00 H new ATOM 434 N TYR A 29 7.831 5.128 -3.832 1.00 0.00 N ATOM 435 CA TYR A 29 6.513 5.705 -4.242 1.00 0.00 C ATOM 436 C TYR A 29 6.570 6.127 -5.719 1.00 0.00 C ATOM 437 O TYR A 29 7.588 6.577 -6.205 1.00 0.00 O ATOM 438 CB TYR A 29 6.172 6.920 -3.360 1.00 0.00 C ATOM 439 CG TYR A 29 4.693 7.220 -3.477 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.189 7.801 -4.641 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.824 6.895 -2.427 1.00 0.00 C ATOM 442 CE1 TYR A 29 2.814 8.060 -4.761 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.451 7.148 -2.543 1.00 0.00 C ATOM 444 CZ TYR A 29 1.945 7.729 -3.712 1.00 0.00 C ATOM 445 OH TYR A 29 0.595 7.969 -3.833 1.00 0.00 O ATOM 0 H TYR A 29 8.344 5.666 -3.134 1.00 0.00 H new ATOM 0 HA TYR A 29 5.737 4.950 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.433 6.715 -2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.757 7.786 -3.671 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.858 8.052 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.214 6.448 -1.525 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.426 8.514 -5.661 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.784 6.895 -1.732 1.00 0.00 H new ATOM 0 HH TYR A 29 0.410 8.362 -4.711 1.00 0.00 H new ATOM 455 N THR A 30 5.484 5.978 -6.442 1.00 0.00 N ATOM 456 CA THR A 30 5.484 6.366 -7.894 1.00 0.00 C ATOM 457 C THR A 30 5.118 7.845 -8.060 1.00 0.00 C ATOM 458 O THR A 30 4.106 8.303 -7.566 1.00 0.00 O ATOM 459 CB THR A 30 4.456 5.510 -8.634 1.00 0.00 C ATOM 460 OG1 THR A 30 4.684 4.152 -8.297 1.00 0.00 O ATOM 461 CG2 THR A 30 4.608 5.691 -10.149 1.00 0.00 C ATOM 0 H THR A 30 4.600 5.606 -6.093 1.00 0.00 H new ATOM 0 HA THR A 30 6.481 6.205 -8.303 1.00 0.00 H new ATOM 0 HB THR A 30 3.449 5.812 -8.346 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.032 3.586 -8.761 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.870 5.076 -10.665 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.452 6.738 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.610 5.387 -10.453 1.00 0.00 H new ATOM 469 N GLY A 31 5.916 8.606 -8.774 1.00 0.00 N ATOM 470 CA GLY A 31 5.576 10.054 -8.972 1.00 0.00 C ATOM 471 C GLY A 31 6.605 10.751 -9.881 1.00 0.00 C ATOM 472 O GLY A 31 7.541 10.145 -10.366 1.00 0.00 O ATOM 0 H GLY A 31 6.777 8.293 -9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.582 10.140 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.541 10.557 -8.006 1.00 0.00 H new ATOM 476 N PHE A 32 6.423 12.032 -10.121 1.00 0.00 N ATOM 477 CA PHE A 32 7.371 12.781 -11.006 1.00 0.00 C ATOM 478 C PHE A 32 8.633 13.169 -10.238 1.00 0.00 C ATOM 479 O PHE A 32 8.757 14.258 -9.711 1.00 0.00 O ATOM 480 CB PHE A 32 6.684 14.042 -11.540 1.00 0.00 C ATOM 481 CG PHE A 32 5.468 13.630 -12.334 1.00 0.00 C ATOM 482 CD1 PHE A 32 5.626 12.870 -13.497 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.182 13.983 -11.903 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.509 12.461 -14.225 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.063 13.567 -12.635 1.00 0.00 C ATOM 486 CZ PHE A 32 3.228 12.805 -13.791 1.00 0.00 C ATOM 0 H PHE A 32 5.658 12.589 -9.741 1.00 0.00 H new ATOM 0 HA PHE A 32 7.656 12.137 -11.838 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.394 14.693 -10.715 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.371 14.610 -12.168 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.616 12.599 -13.833 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.054 14.574 -11.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.635 11.878 -15.125 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.071 13.837 -12.304 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.363 12.481 -14.351 1.00 0.00 H new ATOM 496 N ARG A 33 9.585 12.285 -10.201 1.00 0.00 N ATOM 497 CA ARG A 33 10.871 12.583 -9.511 1.00 0.00 C ATOM 498 C ARG A 33 11.567 13.767 -10.190 1.00 0.00 C ATOM 499 O ARG A 33 12.531 14.295 -9.680 1.00 0.00 O ATOM 500 CB ARG A 33 11.777 11.352 -9.535 1.00 0.00 C ATOM 501 CG ARG A 33 11.102 10.217 -8.753 1.00 0.00 C ATOM 502 CD ARG A 33 12.081 9.051 -8.572 1.00 0.00 C ATOM 503 NE ARG A 33 11.312 7.781 -8.440 1.00 0.00 N ATOM 504 CZ ARG A 33 10.302 7.675 -7.618 1.00 0.00 C ATOM 505 NH1 ARG A 33 10.077 8.575 -6.698 1.00 0.00 N ATOM 506 NH2 ARG A 33 9.542 6.621 -7.673 1.00 0.00 N ATOM 0 H ARG A 33 9.529 11.358 -10.623 1.00 0.00 H new ATOM 0 HA ARG A 33 10.664 12.845 -8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.963 11.042 -10.563 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.745 11.589 -9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.773 10.581 -7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 33 10.213 9.877 -9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.758 8.993 -9.424 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.696 9.211 -7.687 1.00 0.00 H new ATOM 0 HE ARG A 33 11.581 6.975 -9.005 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.696 9.381 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 33 9.282 8.472 -6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.737 5.887 -8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.751 6.529 -7.036 1.00 0.00 H new ATOM 520 N ASP A 34 11.112 14.173 -11.349 1.00 0.00 N ATOM 521 CA ASP A 34 11.788 15.301 -12.050 1.00 0.00 C ATOM 522 C ASP A 34 11.415 16.627 -11.380 1.00 0.00 C ATOM 523 O ASP A 34 11.881 17.683 -11.765 1.00 0.00 O ATOM 524 CB ASP A 34 11.350 15.322 -13.517 1.00 0.00 C ATOM 525 CG ASP A 34 9.877 15.732 -13.631 1.00 0.00 C ATOM 526 OD1 ASP A 34 9.249 15.956 -12.607 1.00 0.00 O ATOM 527 OD2 ASP A 34 9.395 15.814 -14.749 1.00 0.00 O ATOM 0 H ASP A 34 10.308 13.775 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 34 12.868 15.166 -11.995 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.972 16.019 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.495 14.337 -13.960 1.00 0.00 H new ATOM 532 N ARG A 35 10.602 16.574 -10.361 1.00 0.00 N ATOM 533 CA ARG A 35 10.223 17.824 -9.633 1.00 0.00 C ATOM 534 C ARG A 35 11.334 18.110 -8.605 1.00 0.00 C ATOM 535 O ARG A 35 11.841 17.188 -8.010 1.00 0.00 O ATOM 536 CB ARG A 35 8.879 17.604 -8.916 1.00 0.00 C ATOM 537 CG ARG A 35 7.712 17.810 -9.899 1.00 0.00 C ATOM 538 CD ARG A 35 7.472 19.308 -10.159 1.00 0.00 C ATOM 539 NE ARG A 35 6.062 19.532 -10.599 1.00 0.00 N ATOM 540 CZ ARG A 35 5.567 20.745 -10.576 1.00 0.00 C ATOM 541 NH1 ARG A 35 6.324 21.744 -10.195 1.00 0.00 N ATOM 542 NH2 ARG A 35 4.321 20.961 -10.920 1.00 0.00 N ATOM 0 H ARG A 35 10.182 15.718 -9.998 1.00 0.00 H new ATOM 0 HA ARG A 35 10.115 18.665 -10.318 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.841 16.597 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.787 18.297 -8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.930 17.304 -10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.807 17.357 -9.495 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.674 19.879 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.161 19.668 -10.923 1.00 0.00 H new ATOM 0 HE ARG A 35 5.490 18.748 -10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.291 21.575 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.946 22.691 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.729 20.182 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.943 21.908 -10.899 1.00 0.00 H new ATOM 556 N PRO A 36 11.742 19.349 -8.397 1.00 0.00 N ATOM 557 CA PRO A 36 12.840 19.654 -7.420 1.00 0.00 C ATOM 558 C PRO A 36 12.622 18.980 -6.057 1.00 0.00 C ATOM 559 O PRO A 36 11.764 18.139 -5.891 1.00 0.00 O ATOM 560 CB PRO A 36 12.788 21.180 -7.282 1.00 0.00 C ATOM 561 CG PRO A 36 12.222 21.659 -8.580 1.00 0.00 C ATOM 562 CD PRO A 36 11.230 20.586 -9.035 1.00 0.00 C ATOM 0 HA PRO A 36 13.803 19.279 -7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.162 21.481 -6.442 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.780 21.596 -7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.725 22.621 -8.457 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.010 21.800 -9.320 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.215 20.814 -8.711 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.205 20.497 -10.121 1.00 0.00 H new ATOM 570 N HIS A 37 13.379 19.364 -5.071 1.00 0.00 N ATOM 571 CA HIS A 37 13.194 18.765 -3.722 1.00 0.00 C ATOM 572 C HIS A 37 11.725 18.875 -3.337 1.00 0.00 C ATOM 573 O HIS A 37 11.236 18.142 -2.512 1.00 0.00 O ATOM 574 CB HIS A 37 14.048 19.514 -2.702 1.00 0.00 C ATOM 575 CG HIS A 37 15.488 19.431 -3.109 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.215 18.251 -3.043 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.350 20.376 -3.601 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.458 18.522 -3.482 1.00 0.00 C ATOM 579 NE2 HIS A 37 17.594 19.801 -3.836 1.00 0.00 N ATOM 0 H HIS A 37 14.117 20.065 -5.140 1.00 0.00 H new ATOM 0 HA HIS A 37 13.499 17.719 -3.737 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.734 20.556 -2.642 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.913 19.083 -1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.101 21.412 -3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.251 17.791 -3.541 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.430 20.258 -4.200 1.00 0.00 H new ATOM 587 N GLU A 38 11.011 19.786 -3.934 1.00 0.00 N ATOM 588 CA GLU A 38 9.571 19.926 -3.598 1.00 0.00 C ATOM 589 C GLU A 38 8.853 18.604 -3.886 1.00 0.00 C ATOM 590 O GLU A 38 7.709 18.422 -3.526 1.00 0.00 O ATOM 591 CB GLU A 38 8.956 21.062 -4.419 1.00 0.00 C ATOM 592 CG GLU A 38 8.916 20.677 -5.897 1.00 0.00 C ATOM 593 CD GLU A 38 8.556 21.912 -6.724 1.00 0.00 C ATOM 594 OE1 GLU A 38 9.434 22.730 -6.944 1.00 0.00 O ATOM 595 OE2 GLU A 38 7.407 22.025 -7.116 1.00 0.00 O ATOM 0 H GLU A 38 11.361 20.437 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 38 9.461 20.165 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.948 21.275 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.539 21.973 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.883 20.283 -6.210 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.183 19.887 -6.061 1.00 0.00 H new ATOM 602 N GLU A 39 9.508 17.679 -4.538 1.00 0.00 N ATOM 603 CA GLU A 39 8.837 16.394 -4.838 1.00 0.00 C ATOM 604 C GLU A 39 8.584 15.615 -3.541 1.00 0.00 C ATOM 605 O GLU A 39 7.573 14.968 -3.415 1.00 0.00 O ATOM 606 CB GLU A 39 9.729 15.565 -5.771 1.00 0.00 C ATOM 607 CG GLU A 39 10.966 15.064 -5.014 1.00 0.00 C ATOM 608 CD GLU A 39 12.042 14.637 -6.020 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.749 14.623 -7.203 1.00 0.00 O ATOM 610 OE2 GLU A 39 13.142 14.328 -5.588 1.00 0.00 O ATOM 0 H GLU A 39 10.469 17.762 -4.870 1.00 0.00 H new ATOM 0 HA GLU A 39 7.881 16.592 -5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.167 14.718 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.036 16.169 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.351 15.850 -4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.698 14.224 -4.373 1.00 0.00 H new ATOM 617 N ARG A 40 9.463 15.662 -2.566 1.00 0.00 N ATOM 618 CA ARG A 40 9.180 14.884 -1.314 1.00 0.00 C ATOM 619 C ARG A 40 7.968 15.474 -0.549 1.00 0.00 C ATOM 620 O ARG A 40 7.048 14.753 -0.183 1.00 0.00 O ATOM 621 CB ARG A 40 10.433 14.855 -0.397 1.00 0.00 C ATOM 622 CG ARG A 40 11.254 16.144 -0.546 1.00 0.00 C ATOM 623 CD ARG A 40 12.299 16.200 0.577 1.00 0.00 C ATOM 624 NE ARG A 40 13.311 17.259 0.291 1.00 0.00 N ATOM 625 CZ ARG A 40 14.072 17.710 1.252 1.00 0.00 C ATOM 626 NH1 ARG A 40 13.948 17.238 2.463 1.00 0.00 N ATOM 627 NH2 ARG A 40 14.955 18.640 1.009 1.00 0.00 N ATOM 0 H ARG A 40 10.337 16.187 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 40 8.932 13.863 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.125 14.734 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.052 13.994 -0.649 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.745 16.168 -1.519 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.601 17.015 -0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.809 16.404 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.792 15.233 0.673 1.00 0.00 H new ATOM 0 HE ARG A 40 13.408 17.630 -0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.256 16.515 2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.543 17.592 3.212 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.052 19.017 0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 40 15.548 18.990 1.762 1.00 0.00 H new ATOM 641 N GLN A 41 7.947 16.764 -0.294 1.00 0.00 N ATOM 642 CA GLN A 41 6.789 17.354 0.464 1.00 0.00 C ATOM 643 C GLN A 41 5.523 17.375 -0.392 1.00 0.00 C ATOM 644 O GLN A 41 4.459 16.984 0.038 1.00 0.00 O ATOM 645 CB GLN A 41 7.120 18.785 0.933 1.00 0.00 C ATOM 646 CG GLN A 41 7.360 19.721 -0.269 1.00 0.00 C ATOM 647 CD GLN A 41 7.881 21.076 0.231 1.00 0.00 C ATOM 648 OE1 GLN A 41 8.139 21.237 1.406 1.00 0.00 O ATOM 649 NE2 GLN A 41 8.057 22.069 -0.614 1.00 0.00 N ATOM 0 H GLN A 41 8.670 17.427 -0.573 1.00 0.00 H new ATOM 0 HA GLN A 41 6.610 16.724 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.301 19.171 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.006 18.767 1.567 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.080 19.273 -0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.433 19.859 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.842 21.941 -1.603 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.408 22.967 -0.280 1.00 0.00 H new ATOM 658 N THR A 42 5.639 17.818 -1.604 1.00 0.00 N ATOM 659 CA THR A 42 4.457 17.883 -2.499 1.00 0.00 C ATOM 660 C THR A 42 3.885 16.479 -2.687 1.00 0.00 C ATOM 661 O THR A 42 2.686 16.289 -2.766 1.00 0.00 O ATOM 662 CB THR A 42 4.902 18.438 -3.851 1.00 0.00 C ATOM 663 OG1 THR A 42 5.621 19.647 -3.651 1.00 0.00 O ATOM 664 CG2 THR A 42 3.677 18.715 -4.709 1.00 0.00 C ATOM 0 H THR A 42 6.512 18.142 -2.020 1.00 0.00 H new ATOM 0 HA THR A 42 3.692 18.526 -2.065 1.00 0.00 H new ATOM 0 HB THR A 42 5.542 17.712 -4.352 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.576 19.448 -3.557 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.991 19.111 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.122 17.789 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.039 19.443 -4.208 1.00 0.00 H new ATOM 672 N ARG A 43 4.718 15.489 -2.780 1.00 0.00 N ATOM 673 CA ARG A 43 4.183 14.117 -2.977 1.00 0.00 C ATOM 674 C ARG A 43 3.243 13.733 -1.833 1.00 0.00 C ATOM 675 O ARG A 43 2.201 13.163 -2.056 1.00 0.00 O ATOM 676 CB ARG A 43 5.353 13.128 -3.038 1.00 0.00 C ATOM 677 CG ARG A 43 4.840 11.719 -3.356 1.00 0.00 C ATOM 678 CD ARG A 43 4.365 11.622 -4.834 1.00 0.00 C ATOM 679 NE ARG A 43 5.026 10.463 -5.526 1.00 0.00 N ATOM 680 CZ ARG A 43 6.333 10.322 -5.553 1.00 0.00 C ATOM 681 NH1 ARG A 43 7.102 11.188 -4.978 1.00 0.00 N ATOM 682 NH2 ARG A 43 6.874 9.299 -6.148 1.00 0.00 N ATOM 0 H ARG A 43 5.734 15.565 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 43 3.619 14.087 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.066 13.444 -3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.884 13.123 -2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.630 10.990 -3.175 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.016 11.468 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.282 11.503 -4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.600 12.548 -5.359 1.00 0.00 H new ATOM 0 HE ARG A 43 4.443 9.765 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.696 11.991 -4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.115 11.068 -5.005 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.283 8.600 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.889 9.197 -6.165 1.00 0.00 H new ATOM 696 N PHE A 44 3.599 14.008 -0.618 1.00 0.00 N ATOM 697 CA PHE A 44 2.712 13.604 0.503 1.00 0.00 C ATOM 698 C PHE A 44 1.343 14.284 0.439 1.00 0.00 C ATOM 699 O PHE A 44 0.329 13.636 0.562 1.00 0.00 O ATOM 700 CB PHE A 44 3.424 13.921 1.817 1.00 0.00 C ATOM 701 CG PHE A 44 4.618 12.998 1.943 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.438 11.603 1.982 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.910 13.532 2.003 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.547 10.755 2.071 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.016 12.684 2.092 1.00 0.00 C ATOM 706 CZ PHE A 44 6.835 11.295 2.126 1.00 0.00 C ATOM 0 H PHE A 44 4.457 14.490 -0.350 1.00 0.00 H new ATOM 0 HA PHE A 44 2.517 12.534 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.745 14.962 1.834 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.746 13.783 2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.442 11.186 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.052 14.602 1.980 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.408 9.684 2.097 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.012 13.099 2.135 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.692 10.641 2.195 1.00 0.00 H new ATOM 716 N GLN A 45 1.290 15.568 0.260 1.00 0.00 N ATOM 717 CA GLN A 45 -0.042 16.248 0.215 1.00 0.00 C ATOM 718 C GLN A 45 -0.798 15.895 -1.078 1.00 0.00 C ATOM 719 O GLN A 45 -1.916 15.439 -1.036 1.00 0.00 O ATOM 720 CB GLN A 45 0.136 17.773 0.350 1.00 0.00 C ATOM 721 CG GLN A 45 1.367 18.252 -0.453 1.00 0.00 C ATOM 722 CD GLN A 45 2.506 18.629 0.501 1.00 0.00 C ATOM 723 OE1 GLN A 45 3.152 19.638 0.318 1.00 0.00 O ATOM 724 NE2 GLN A 45 2.774 17.852 1.520 1.00 0.00 N ATOM 0 H GLN A 45 2.099 16.178 0.143 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.640 15.893 1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.759 18.282 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.255 18.039 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.696 17.465 -1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.098 19.111 -1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.229 17.003 1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.528 18.095 2.162 1.00 0.00 H new ATOM 733 N ASN A 46 -0.208 16.142 -2.221 1.00 0.00 N ATOM 734 CA ASN A 46 -0.909 15.850 -3.515 1.00 0.00 C ATOM 735 C ASN A 46 -1.239 14.359 -3.653 1.00 0.00 C ATOM 736 O ASN A 46 -2.228 13.982 -4.265 1.00 0.00 O ATOM 737 CB ASN A 46 -0.051 16.311 -4.708 1.00 0.00 C ATOM 738 CG ASN A 46 1.123 15.355 -4.931 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.460 14.579 -4.065 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.766 15.375 -6.074 1.00 0.00 N ATOM 0 H ASN A 46 0.729 16.533 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.847 16.405 -3.512 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.665 16.357 -5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.323 17.318 -4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.547 14.738 -6.231 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.485 16.027 -6.806 1.00 0.00 H new ATOM 747 N ALA A 47 -0.434 13.501 -3.091 1.00 0.00 N ATOM 748 CA ALA A 47 -0.718 12.048 -3.210 1.00 0.00 C ATOM 749 C ALA A 47 -1.720 11.657 -2.134 1.00 0.00 C ATOM 750 O ALA A 47 -2.605 10.855 -2.352 1.00 0.00 O ATOM 751 CB ALA A 47 0.572 11.244 -3.012 1.00 0.00 C ATOM 0 H ALA A 47 0.402 13.743 -2.559 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.122 11.836 -4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.355 10.180 -3.101 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.299 11.530 -3.772 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.981 11.449 -2.023 1.00 0.00 H new ATOM 757 N CYS A 48 -1.597 12.221 -0.972 1.00 0.00 N ATOM 758 CA CYS A 48 -2.551 11.884 0.109 1.00 0.00 C ATOM 759 C CYS A 48 -3.972 12.326 -0.263 1.00 0.00 C ATOM 760 O CYS A 48 -4.930 11.637 0.029 1.00 0.00 O ATOM 761 CB CYS A 48 -2.106 12.545 1.405 1.00 0.00 C ATOM 762 SG CYS A 48 -0.655 11.669 2.050 1.00 0.00 S ATOM 0 H CYS A 48 -0.878 12.900 -0.724 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.563 10.803 0.246 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.865 13.593 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.915 12.522 2.136 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.285 12.210 3.173 1.00 0.00 H new ATOM 768 N ARG A 49 -4.129 13.460 -0.906 1.00 0.00 N ATOM 769 CA ARG A 49 -5.509 13.886 -1.279 1.00 0.00 C ATOM 770 C ARG A 49 -6.098 12.859 -2.240 1.00 0.00 C ATOM 771 O ARG A 49 -7.216 12.421 -2.069 1.00 0.00 O ATOM 772 CB ARG A 49 -5.492 15.280 -1.915 1.00 0.00 C ATOM 773 CG ARG A 49 -4.469 15.330 -3.038 1.00 0.00 C ATOM 774 CD ARG A 49 -4.399 16.759 -3.595 1.00 0.00 C ATOM 775 NE ARG A 49 -3.701 16.736 -4.911 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.761 17.770 -5.716 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.387 18.860 -5.355 1.00 0.00 N ATOM 778 NH2 ARG A 49 -3.185 17.712 -6.887 1.00 0.00 N ATOM 0 H ARG A 49 -3.378 14.093 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.128 13.942 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.481 15.523 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.252 16.029 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.491 15.023 -2.669 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.745 14.632 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.403 17.168 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.868 17.408 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.172 15.909 -5.188 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.834 18.912 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.428 19.658 -5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.692 16.866 -7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.229 18.513 -7.517 1.00 0.00 H new ATOM 792 N ASP A 50 -5.325 12.403 -3.194 1.00 0.00 N ATOM 793 CA ASP A 50 -5.816 11.321 -4.095 1.00 0.00 C ATOM 794 C ASP A 50 -5.205 10.071 -3.497 1.00 0.00 C ATOM 795 O ASP A 50 -4.101 9.681 -3.815 1.00 0.00 O ATOM 796 CB ASP A 50 -5.330 11.526 -5.533 1.00 0.00 C ATOM 797 CG ASP A 50 -3.822 11.679 -5.517 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.299 11.874 -4.440 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.213 11.583 -6.572 1.00 0.00 O ATOM 0 H ASP A 50 -4.379 12.733 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.904 11.286 -4.157 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.618 10.678 -6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.795 12.411 -5.967 1.00 0.00 H new ATOM 804 N GLY A 51 -5.898 9.497 -2.567 1.00 0.00 N ATOM 805 CA GLY A 51 -5.374 8.316 -1.834 1.00 0.00 C ATOM 806 C GLY A 51 -5.142 7.147 -2.775 1.00 0.00 C ATOM 807 O GLY A 51 -4.834 6.055 -2.340 1.00 0.00 O ATOM 0 H GLY A 51 -6.827 9.801 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.440 8.578 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.079 8.025 -1.055 1.00 0.00 H new ATOM 811 N ARG A 52 -5.257 7.345 -4.058 1.00 0.00 N ATOM 812 CA ARG A 52 -5.014 6.200 -4.979 1.00 0.00 C ATOM 813 C ARG A 52 -3.523 6.212 -5.319 1.00 0.00 C ATOM 814 O ARG A 52 -3.103 6.688 -6.352 1.00 0.00 O ATOM 815 CB ARG A 52 -5.847 6.397 -6.249 1.00 0.00 C ATOM 816 CG ARG A 52 -7.328 6.483 -5.866 1.00 0.00 C ATOM 817 CD ARG A 52 -8.189 6.541 -7.130 1.00 0.00 C ATOM 818 NE ARG A 52 -8.138 5.225 -7.826 1.00 0.00 N ATOM 819 CZ ARG A 52 -9.017 4.925 -8.745 1.00 0.00 C ATOM 820 NH1 ARG A 52 -9.941 5.784 -9.080 1.00 0.00 N ATOM 821 NH2 ARG A 52 -8.966 3.762 -9.332 1.00 0.00 N ATOM 0 H ARG A 52 -5.503 8.230 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.295 5.250 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.538 7.306 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.684 5.569 -6.938 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.608 5.619 -5.264 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.504 7.368 -5.254 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.219 6.788 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.830 7.329 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.411 4.552 -7.583 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.980 6.695 -8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.624 5.544 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.242 3.091 -9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.650 3.523 -10.050 1.00 0.00 H new ATOM 835 N SER A 53 -2.723 5.705 -4.416 1.00 0.00 N ATOM 836 CA SER A 53 -1.246 5.682 -4.615 1.00 0.00 C ATOM 837 C SER A 53 -0.824 4.512 -5.486 1.00 0.00 C ATOM 838 O SER A 53 -1.395 3.443 -5.422 1.00 0.00 O ATOM 839 CB SER A 53 -0.566 5.539 -3.263 1.00 0.00 C ATOM 840 OG SER A 53 0.824 5.324 -3.462 1.00 0.00 O ATOM 0 H SER A 53 -3.039 5.300 -3.535 1.00 0.00 H new ATOM 0 HA SER A 53 -0.955 6.611 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.726 6.436 -2.665 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.000 4.706 -2.710 1.00 0.00 H new ATOM 0 HG SER A 53 1.332 6.038 -3.023 1.00 0.00 H new ATOM 846 N GLU A 54 0.221 4.689 -6.256 1.00 0.00 N ATOM 847 CA GLU A 54 0.755 3.570 -7.091 1.00 0.00 C ATOM 848 C GLU A 54 2.215 3.379 -6.669 1.00 0.00 C ATOM 849 O GLU A 54 2.960 4.331 -6.562 1.00 0.00 O ATOM 850 CB GLU A 54 0.668 3.930 -8.580 1.00 0.00 C ATOM 851 CG GLU A 54 -0.802 4.015 -9.002 1.00 0.00 C ATOM 852 CD GLU A 54 -0.883 4.472 -10.460 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.176 5.404 -10.802 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.655 3.889 -11.206 1.00 0.00 O ATOM 0 H GLU A 54 0.731 5.568 -6.342 1.00 0.00 H new ATOM 0 HA GLU A 54 0.180 2.655 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.166 4.882 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.186 3.179 -9.177 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.282 3.044 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.337 4.714 -8.359 1.00 0.00 H new ATOM 861 N ILE A 55 2.631 2.174 -6.387 1.00 0.00 N ATOM 862 CA ILE A 55 4.037 1.958 -5.926 1.00 0.00 C ATOM 863 C ILE A 55 4.549 0.622 -6.429 1.00 0.00 C ATOM 864 O ILE A 55 3.782 -0.221 -6.849 1.00 0.00 O ATOM 865 CB ILE A 55 4.047 1.998 -4.399 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.371 1.465 -3.840 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.907 1.136 -3.847 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.573 1.932 -2.378 1.00 0.00 C ATOM 0 H ILE A 55 2.062 1.330 -6.455 1.00 0.00 H new ATOM 0 HA ILE A 55 4.690 2.736 -6.320 1.00 0.00 H new ATOM 0 HB ILE A 55 3.921 3.037 -4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.378 0.376 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.199 1.814 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.920 1.169 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.953 1.518 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.035 0.106 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.518 1.543 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.588 3.021 -2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.755 1.561 -1.761 1.00 0.00 H new ATOM 880 N ALA A 56 5.850 0.428 -6.417 1.00 0.00 N ATOM 881 CA ALA A 56 6.398 -0.866 -6.935 1.00 0.00 C ATOM 882 C ALA A 56 7.646 -1.310 -6.164 1.00 0.00 C ATOM 883 O ALA A 56 8.265 -0.544 -5.453 1.00 0.00 O ATOM 884 CB ALA A 56 6.753 -0.695 -8.411 1.00 0.00 C ATOM 0 H ALA A 56 6.542 1.096 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 56 5.636 -1.634 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.153 -1.631 -8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.859 -0.422 -8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.501 0.091 -8.517 1.00 0.00 H new ATOM 890 N PHE A 57 8.018 -2.557 -6.329 1.00 0.00 N ATOM 891 CA PHE A 57 9.230 -3.093 -5.637 1.00 0.00 C ATOM 892 C PHE A 57 10.445 -2.793 -6.513 1.00 0.00 C ATOM 893 O PHE A 57 10.446 -3.082 -7.690 1.00 0.00 O ATOM 894 CB PHE A 57 9.116 -4.625 -5.490 1.00 0.00 C ATOM 895 CG PHE A 57 7.944 -5.007 -4.614 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.946 -4.643 -3.267 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.859 -5.735 -5.142 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.868 -4.993 -2.442 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.780 -6.084 -4.316 1.00 0.00 C ATOM 900 CZ PHE A 57 5.787 -5.710 -2.969 1.00 0.00 C ATOM 0 H PHE A 57 7.529 -3.231 -6.918 1.00 0.00 H new ATOM 0 HA PHE A 57 9.323 -2.635 -4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.001 -5.079 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.037 -5.021 -5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.780 -4.091 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.858 -6.024 -6.183 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.871 -4.710 -1.400 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.947 -6.640 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.956 -5.975 -2.333 1.00 0.00 H new ATOM 910 N VAL A 58 11.476 -2.219 -5.973 1.00 0.00 N ATOM 911 CA VAL A 58 12.659 -1.930 -6.828 1.00 0.00 C ATOM 912 C VAL A 58 13.217 -3.236 -7.416 1.00 0.00 C ATOM 913 O VAL A 58 13.551 -3.309 -8.580 1.00 0.00 O ATOM 914 CB VAL A 58 13.738 -1.245 -5.995 1.00 0.00 C ATOM 915 CG1 VAL A 58 14.965 -0.977 -6.876 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.185 0.074 -5.440 1.00 0.00 C ATOM 0 H VAL A 58 11.555 -1.940 -4.995 1.00 0.00 H new ATOM 0 HA VAL A 58 12.355 -1.273 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 58 14.032 -1.886 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.738 -0.487 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.348 -1.921 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.682 -0.332 -7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 58 13.952 0.568 -4.844 1.00 0.00 H new ATOM 0 HG22 VAL A 58 12.894 0.723 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.315 -0.130 -4.815 1.00 0.00 H new ATOM 926 N ALA A 59 13.337 -4.260 -6.600 1.00 0.00 N ATOM 927 CA ALA A 59 13.895 -5.568 -7.072 1.00 0.00 C ATOM 928 C ALA A 59 13.036 -6.183 -8.186 1.00 0.00 C ATOM 929 O ALA A 59 13.554 -6.781 -9.108 1.00 0.00 O ATOM 930 CB ALA A 59 13.970 -6.535 -5.887 1.00 0.00 C ATOM 0 H ALA A 59 13.068 -4.243 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 59 14.889 -5.389 -7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.375 -7.490 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.617 -6.116 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.971 -6.688 -5.478 1.00 0.00 H new ATOM 936 N THR A 60 11.731 -6.059 -8.099 1.00 0.00 N ATOM 937 CA THR A 60 10.829 -6.652 -9.148 1.00 0.00 C ATOM 938 C THR A 60 10.010 -5.539 -9.817 1.00 0.00 C ATOM 939 O THR A 60 9.519 -4.639 -9.169 1.00 0.00 O ATOM 940 CB THR A 60 9.886 -7.675 -8.498 1.00 0.00 C ATOM 941 OG1 THR A 60 10.639 -8.600 -7.711 1.00 0.00 O ATOM 942 CG2 THR A 60 9.133 -8.434 -9.597 1.00 0.00 C ATOM 0 H THR A 60 11.248 -5.571 -7.345 1.00 0.00 H new ATOM 0 HA THR A 60 11.435 -7.152 -9.904 1.00 0.00 H new ATOM 0 HB THR A 60 9.176 -7.155 -7.854 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.344 -8.552 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.462 -9.162 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.554 -7.730 -10.194 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.848 -8.951 -10.238 1.00 0.00 H new ATOM 950 N GLY A 61 9.859 -5.598 -11.113 1.00 0.00 N ATOM 951 CA GLY A 61 9.080 -4.544 -11.826 1.00 0.00 C ATOM 952 C GLY A 61 7.591 -4.699 -11.512 1.00 0.00 C ATOM 953 O GLY A 61 6.752 -4.009 -12.061 1.00 0.00 O ATOM 0 H GLY A 61 10.242 -6.331 -11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.424 -3.556 -11.521 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.244 -4.622 -12.901 1.00 0.00 H new ATOM 957 N THR A 62 7.251 -5.589 -10.625 1.00 0.00 N ATOM 958 CA THR A 62 5.819 -5.763 -10.277 1.00 0.00 C ATOM 959 C THR A 62 5.339 -4.506 -9.568 1.00 0.00 C ATOM 960 O THR A 62 5.978 -4.029 -8.649 1.00 0.00 O ATOM 961 CB THR A 62 5.650 -6.958 -9.335 1.00 0.00 C ATOM 962 OG1 THR A 62 6.120 -8.139 -9.969 1.00 0.00 O ATOM 963 CG2 THR A 62 4.173 -7.112 -8.964 1.00 0.00 C ATOM 0 H THR A 62 7.900 -6.200 -10.129 1.00 0.00 H new ATOM 0 HA THR A 62 5.241 -5.938 -11.185 1.00 0.00 H new ATOM 0 HB THR A 62 6.230 -6.790 -8.428 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.012 -8.901 -9.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.053 -7.963 -8.293 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.826 -6.206 -8.466 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.586 -7.277 -9.868 1.00 0.00 H new ATOM 971 N ASN A 63 4.218 -3.969 -9.985 1.00 0.00 N ATOM 972 CA ASN A 63 3.682 -2.740 -9.333 1.00 0.00 C ATOM 973 C ASN A 63 2.339 -3.049 -8.680 1.00 0.00 C ATOM 974 O ASN A 63 1.445 -3.586 -9.299 1.00 0.00 O ATOM 975 CB ASN A 63 3.483 -1.643 -10.382 1.00 0.00 C ATOM 976 CG ASN A 63 3.026 -0.360 -9.683 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.806 0.552 -9.469 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.781 -0.255 -9.307 1.00 0.00 N ATOM 0 H ASN A 63 3.652 -4.332 -10.752 1.00 0.00 H new ATOM 0 HA ASN A 63 4.391 -2.402 -8.577 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.413 -1.466 -10.923 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.741 -1.956 -11.117 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.461 0.590 -8.834 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.128 -1.018 -9.486 1.00 0.00 H new ATOM 985 N LEU A 64 2.193 -2.688 -7.429 1.00 0.00 N ATOM 986 CA LEU A 64 0.908 -2.921 -6.712 1.00 0.00 C ATOM 987 C LEU A 64 0.232 -1.570 -6.486 1.00 0.00 C ATOM 988 O LEU A 64 0.830 -0.634 -5.983 1.00 0.00 O ATOM 989 CB LEU A 64 1.191 -3.588 -5.364 1.00 0.00 C ATOM 990 CG LEU A 64 1.948 -4.910 -5.562 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.199 -5.549 -4.194 1.00 0.00 C ATOM 992 CD2 LEU A 64 1.131 -5.878 -6.437 1.00 0.00 C ATOM 0 H LEU A 64 2.919 -2.238 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 64 0.259 -3.570 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.778 -2.917 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.253 -3.775 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 64 2.895 -4.705 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.736 -6.488 -4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.794 -4.873 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.246 -5.741 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.685 -6.808 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.176 -6.087 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.953 -5.425 -7.412 1.00 0.00 H new ATOM 1004 N SER A 65 -1.014 -1.471 -6.864 1.00 0.00 N ATOM 1005 CA SER A 65 -1.782 -0.193 -6.700 1.00 0.00 C ATOM 1006 C SER A 65 -2.851 -0.381 -5.618 1.00 0.00 C ATOM 1007 O SER A 65 -3.481 -1.418 -5.535 1.00 0.00 O ATOM 1008 CB SER A 65 -2.450 0.151 -8.035 1.00 0.00 C ATOM 1009 OG SER A 65 -3.384 -0.872 -8.375 1.00 0.00 O ATOM 0 H SER A 65 -1.545 -2.232 -7.287 1.00 0.00 H new ATOM 0 HA SER A 65 -1.113 0.615 -6.404 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.958 1.113 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.697 0.246 -8.817 1.00 0.00 H new ATOM 0 HG SER A 65 -3.813 -0.652 -9.228 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.055 0.611 -4.780 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.074 0.475 -3.695 1.00 0.00 C ATOM 1017 C LEU A 66 -4.694 1.839 -3.377 1.00 0.00 C ATOM 1018 O LEU A 66 -4.230 2.881 -3.817 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.417 -0.077 -2.420 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.033 0.567 -2.222 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.580 0.355 -0.768 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.988 -0.043 -3.197 1.00 0.00 C ATOM 0 H LEU A 66 -2.561 1.503 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.849 -0.210 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.050 0.128 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.317 -1.160 -2.492 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.109 1.633 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.600 0.809 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.299 0.818 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.520 -0.713 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.020 0.430 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.903 -1.114 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.307 0.127 -4.225 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.749 1.829 -2.597 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.440 3.095 -2.226 1.00 0.00 C ATOM 1036 C GLN A 67 -6.879 3.021 -0.760 1.00 0.00 C ATOM 1037 O GLN A 67 -7.686 2.195 -0.382 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.675 3.240 -3.120 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.309 2.886 -4.574 1.00 0.00 C ATOM 1040 CD GLN A 67 -7.343 1.364 -4.765 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -7.197 0.878 -5.872 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -7.535 0.585 -3.726 1.00 0.00 N ATOM 0 H GLN A 67 -6.162 0.985 -2.199 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.773 3.947 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.471 2.585 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.055 4.260 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.008 3.363 -5.261 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.317 3.269 -4.812 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.657 0.992 -2.799 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.562 -0.428 -3.846 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.347 3.882 0.067 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.723 3.880 1.518 1.00 0.00 C ATOM 1053 C PHE A 68 -7.911 4.811 1.753 1.00 0.00 C ATOM 1054 O PHE A 68 -9.037 4.386 1.907 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.521 4.344 2.372 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.643 5.257 1.555 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.819 4.715 0.568 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.653 6.642 1.778 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.005 5.557 -0.203 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.839 7.485 1.009 1.00 0.00 C ATOM 1061 CZ PHE A 68 -3.013 6.941 0.017 1.00 0.00 C ATOM 0 H PHE A 68 -5.664 4.592 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.002 2.867 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.874 4.864 3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.949 3.481 2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.808 3.648 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.289 7.060 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.370 5.138 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.849 8.551 1.181 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.384 7.587 -0.577 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.649 6.087 1.790 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.728 7.084 2.026 1.00 0.00 C ATOM 1073 C PHE A 69 -8.473 8.322 1.157 1.00 0.00 C ATOM 1074 O PHE A 69 -7.837 9.261 1.591 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.723 7.488 3.511 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.782 8.533 3.743 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.124 8.201 3.571 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.423 9.834 4.124 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.111 9.162 3.778 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.411 10.796 4.331 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.756 10.461 4.158 1.00 0.00 C ATOM 0 H PHE A 69 -6.719 6.487 1.665 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.695 6.652 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.911 6.617 4.138 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.744 7.877 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.399 7.199 3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.382 10.091 4.257 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.151 8.904 3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.137 11.798 4.625 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.522 11.205 4.318 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.956 8.337 -0.066 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.767 9.495 -0.984 1.00 0.00 C ATOM 1093 C PRO A 70 -9.850 10.566 -0.791 1.00 0.00 C ATOM 1094 O PRO A 70 -11.007 10.255 -0.576 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.900 8.846 -2.361 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.941 7.797 -2.162 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.732 7.263 -0.735 1.00 0.00 C ATOM 0 HA PRO A 70 -7.822 10.013 -0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.202 9.571 -3.117 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.956 8.414 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.942 8.212 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.837 6.999 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.682 7.083 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.188 6.318 -0.737 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.494 11.817 -0.869 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.523 12.879 -0.687 1.00 0.00 C ATOM 1107 C ALA A 71 -11.655 12.656 -1.684 1.00 0.00 C ATOM 1108 O ALA A 71 -12.816 12.686 -1.333 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.898 14.265 -0.924 1.00 0.00 C ATOM 0 H ALA A 71 -8.546 12.149 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.911 12.833 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.658 15.035 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.088 14.425 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.505 14.318 -1.939 1.00 0.00 H new ATOM 1115 N SER A 72 -11.328 12.429 -2.921 1.00 0.00 N ATOM 1116 CA SER A 72 -12.380 12.205 -3.947 1.00 0.00 C ATOM 1117 C SER A 72 -11.695 11.872 -5.256 1.00 0.00 C ATOM 1118 O SER A 72 -10.629 12.377 -5.545 1.00 0.00 O ATOM 1119 CB SER A 72 -13.199 13.477 -4.128 1.00 0.00 C ATOM 1120 OG SER A 72 -14.178 13.278 -5.139 1.00 0.00 O ATOM 0 H SER A 72 -10.370 12.388 -3.269 1.00 0.00 H new ATOM 0 HA SER A 72 -13.039 11.394 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.682 13.746 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.545 14.306 -4.400 1.00 0.00 H new ATOM 0 HG SER A 72 -15.055 13.561 -4.805 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.280 11.027 -6.055 1.00 0.00 N ATOM 1127 CA TRP A 73 -11.638 10.672 -7.350 1.00 0.00 C ATOM 1128 C TRP A 73 -12.020 11.707 -8.421 1.00 0.00 C ATOM 1129 O TRP A 73 -11.235 12.566 -8.782 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.104 9.267 -7.773 1.00 0.00 C ATOM 1131 CG TRP A 73 -11.538 8.893 -9.115 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -10.295 9.200 -9.561 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -12.169 8.120 -10.185 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -10.130 8.679 -10.830 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -11.255 8.006 -11.259 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -13.433 7.518 -10.329 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -11.582 7.323 -12.429 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -13.763 6.830 -11.506 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -12.838 6.732 -12.552 1.00 0.00 C ATOM 0 H TRP A 73 -13.172 10.568 -5.869 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.554 10.673 -7.238 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.792 8.536 -7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.193 9.238 -7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.553 9.761 -9.013 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.279 8.780 -11.383 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.154 7.586 -9.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.867 7.252 -13.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.737 6.373 -11.606 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -13.098 6.198 -13.454 1.00 0.00 H new ATOM 1150 N GLN A 74 -13.213 11.635 -8.935 1.00 0.00 N ATOM 1151 CA GLN A 74 -13.632 12.621 -9.987 1.00 0.00 C ATOM 1152 C GLN A 74 -14.174 13.916 -9.363 1.00 0.00 C ATOM 1153 O GLN A 74 -14.515 14.846 -10.064 1.00 0.00 O ATOM 1154 CB GLN A 74 -14.721 12.014 -10.868 1.00 0.00 C ATOM 1155 CG GLN A 74 -14.187 10.763 -11.571 1.00 0.00 C ATOM 1156 CD GLN A 74 -15.275 10.175 -12.465 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -16.452 10.374 -12.220 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -14.939 9.452 -13.497 1.00 0.00 N ATOM 0 H GLN A 74 -13.918 10.944 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.749 12.858 -10.581 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.590 11.758 -10.262 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.052 12.744 -11.607 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.309 11.015 -12.167 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.871 10.026 -10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.954 9.284 -13.703 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -15.661 9.054 -14.098 1.00 0.00 H new ATOM 1167 N GLY A 75 -14.272 13.998 -8.064 1.00 0.00 N ATOM 1168 CA GLY A 75 -14.807 15.248 -7.448 1.00 0.00 C ATOM 1169 C GLY A 75 -13.721 16.323 -7.448 1.00 0.00 C ATOM 1170 O GLY A 75 -12.559 16.037 -7.239 1.00 0.00 O ATOM 0 H GLY A 75 -14.008 13.263 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.678 15.596 -8.004 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.138 15.051 -6.428 1.00 0.00 H new ATOM 1174 N GLU A 76 -14.082 17.560 -7.692 1.00 0.00 N ATOM 1175 CA GLU A 76 -13.053 18.640 -7.716 1.00 0.00 C ATOM 1176 C GLU A 76 -12.584 18.943 -6.288 1.00 0.00 C ATOM 1177 O GLU A 76 -11.668 19.713 -6.075 1.00 0.00 O ATOM 1178 CB GLU A 76 -13.643 19.905 -8.358 1.00 0.00 C ATOM 1179 CG GLU A 76 -14.649 20.569 -7.408 1.00 0.00 C ATOM 1180 CD GLU A 76 -15.410 21.665 -8.157 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -16.351 21.332 -8.856 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -15.036 22.819 -8.018 1.00 0.00 O ATOM 0 H GLU A 76 -15.038 17.864 -7.874 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.198 18.309 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.843 20.605 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -14.134 19.649 -9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.347 19.826 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.129 20.994 -6.549 1.00 0.00 H new ATOM 1189 N GLN A 77 -13.215 18.350 -5.310 1.00 0.00 N ATOM 1190 CA GLN A 77 -12.814 18.609 -3.893 1.00 0.00 C ATOM 1191 C GLN A 77 -11.425 18.022 -3.614 1.00 0.00 C ATOM 1192 O GLN A 77 -11.243 17.123 -2.821 1.00 0.00 O ATOM 1193 CB GLN A 77 -13.873 18.019 -2.953 1.00 0.00 C ATOM 1194 CG GLN A 77 -14.025 16.506 -3.152 1.00 0.00 C ATOM 1195 CD GLN A 77 -15.272 16.062 -2.399 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -16.278 16.743 -2.415 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -15.248 14.955 -1.720 1.00 0.00 N ATOM 0 H GLN A 77 -13.990 17.698 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.754 19.683 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.597 18.225 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -14.831 18.508 -3.131 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -14.113 16.267 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.146 15.981 -2.779 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -14.403 14.383 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -16.074 14.657 -1.200 1.00 0.00 H new ATOM 1206 N ARG A 78 -10.438 18.535 -4.284 1.00 0.00 N ATOM 1207 CA ARG A 78 -9.043 18.024 -4.111 1.00 0.00 C ATOM 1208 C ARG A 78 -8.243 18.923 -3.157 1.00 0.00 C ATOM 1209 O ARG A 78 -7.055 18.744 -2.977 1.00 0.00 O ATOM 1210 CB ARG A 78 -8.386 18.067 -5.481 1.00 0.00 C ATOM 1211 CG ARG A 78 -9.173 17.191 -6.466 1.00 0.00 C ATOM 1212 CD ARG A 78 -8.853 17.622 -7.901 1.00 0.00 C ATOM 1213 NE ARG A 78 -7.430 17.314 -8.221 1.00 0.00 N ATOM 1214 CZ ARG A 78 -7.021 17.305 -9.462 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -7.853 17.544 -10.439 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -5.778 17.032 -9.726 1.00 0.00 N ATOM 0 H ARG A 78 -10.533 19.297 -4.955 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.065 17.017 -3.694 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.349 19.094 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.356 17.716 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.914 16.142 -6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.243 17.283 -6.277 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.511 17.106 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.038 18.690 -8.018 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.773 17.109 -7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.833 17.740 -10.237 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.523 17.534 -11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.129 16.827 -8.967 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.452 17.023 -10.692 1.00 0.00 H new ATOM 1230 N GLN A 79 -8.869 19.894 -2.560 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.114 20.797 -1.644 1.00 0.00 C ATOM 1232 C GLN A 79 -7.964 20.162 -0.259 1.00 0.00 C ATOM 1233 O GLN A 79 -7.116 20.552 0.514 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.874 22.119 -1.511 1.00 0.00 C ATOM 1235 CG GLN A 79 -10.234 21.862 -0.850 1.00 0.00 C ATOM 1236 CD GLN A 79 -11.087 23.135 -0.916 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -11.194 23.756 -1.957 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -11.706 23.548 0.161 1.00 0.00 N ATOM 0 H GLN A 79 -9.862 20.103 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.121 20.969 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.296 22.825 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.014 22.571 -2.493 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.746 21.043 -1.355 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.094 21.559 0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.615 23.026 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.279 24.391 0.128 1.00 0.00 H new ATOM 1247 N THR A 80 -8.769 19.189 0.068 1.00 0.00 N ATOM 1248 CA THR A 80 -8.645 18.548 1.413 1.00 0.00 C ATOM 1249 C THR A 80 -7.744 17.305 1.326 1.00 0.00 C ATOM 1250 O THR A 80 -8.054 16.380 0.608 1.00 0.00 O ATOM 1251 CB THR A 80 -10.030 18.117 1.896 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.919 17.604 3.216 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.600 17.040 0.970 1.00 0.00 C ATOM 0 H THR A 80 -9.503 18.810 -0.531 1.00 0.00 H new ATOM 0 HA THR A 80 -8.208 19.266 2.107 1.00 0.00 H new ATOM 0 HB THR A 80 -10.701 18.976 1.887 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.803 17.327 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.587 16.741 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.682 17.437 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.938 16.174 0.968 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.650 17.251 2.050 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.754 16.060 2.034 1.00 0.00 C ATOM 1263 C PRO A 81 -6.223 14.994 3.025 1.00 0.00 C ATOM 1264 O PRO A 81 -7.185 15.179 3.744 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.415 16.632 2.478 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.794 17.701 3.454 1.00 0.00 C ATOM 1267 CD PRO A 81 -6.126 18.289 2.953 1.00 0.00 C ATOM 0 HA PRO A 81 -5.725 15.571 1.060 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.788 15.870 2.941 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.854 17.038 1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.903 17.290 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.024 18.471 3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.812 18.486 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.975 19.234 2.431 1.00 0.00 H new ATOM 1275 N SER A 82 -5.543 13.889 3.089 1.00 0.00 N ATOM 1276 CA SER A 82 -5.947 12.829 4.052 1.00 0.00 C ATOM 1277 C SER A 82 -5.311 13.134 5.404 1.00 0.00 C ATOM 1278 O SER A 82 -4.109 13.065 5.569 1.00 0.00 O ATOM 1279 CB SER A 82 -5.460 11.475 3.549 1.00 0.00 C ATOM 1280 OG SER A 82 -6.058 10.441 4.322 1.00 0.00 O ATOM 0 H SER A 82 -4.726 13.672 2.518 1.00 0.00 H new ATOM 0 HA SER A 82 -7.032 12.803 4.150 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.716 11.352 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.374 11.417 3.622 1.00 0.00 H new ATOM 0 HG SER A 82 -5.747 9.570 3.999 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.116 13.460 6.371 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.584 13.771 7.718 1.00 0.00 C ATOM 1288 C ARG A 83 -4.847 12.540 8.264 1.00 0.00 C ATOM 1289 O ARG A 83 -3.883 12.658 9.001 1.00 0.00 O ATOM 1290 CB ARG A 83 -6.746 14.101 8.638 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.203 14.655 9.949 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.378 14.948 10.874 1.00 0.00 C ATOM 1293 NE ARG A 83 -6.892 15.639 12.106 1.00 0.00 N ATOM 1294 CZ ARG A 83 -6.010 15.089 12.900 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -5.656 13.837 12.749 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -5.514 15.789 13.888 1.00 0.00 N ATOM 0 H ARG A 83 -7.130 13.524 6.283 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.898 14.616 7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.404 14.830 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.342 13.208 8.826 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.526 13.937 10.412 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.628 15.563 9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.110 15.572 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.882 14.019 11.142 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.257 16.564 12.334 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.070 13.276 12.004 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.967 13.423 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.816 16.753 14.032 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.826 15.371 14.514 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.304 11.362 7.915 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.650 10.117 8.415 1.00 0.00 C ATOM 1312 C GLU A 84 -3.171 10.135 8.054 1.00 0.00 C ATOM 1313 O GLU A 84 -2.344 9.586 8.752 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.315 8.890 7.764 1.00 0.00 C ATOM 1315 CG GLU A 84 -6.757 8.800 8.241 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.453 7.585 7.617 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -6.797 6.836 6.910 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.638 7.423 7.862 1.00 0.00 O ATOM 0 H GLU A 84 -6.106 11.211 7.303 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.760 10.063 9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.282 8.975 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.773 7.982 8.029 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.783 8.723 9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.293 9.711 7.973 1.00 0.00 H new ATOM 1325 N TYR A 85 -2.831 10.741 6.961 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.407 10.776 6.546 1.00 0.00 C ATOM 1327 C TYR A 85 -0.605 11.672 7.501 1.00 0.00 C ATOM 1328 O TYR A 85 0.529 11.384 7.827 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.350 11.248 5.068 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.590 12.563 4.855 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.769 12.666 5.193 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.243 13.656 4.254 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.475 13.855 4.927 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.543 14.847 3.996 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.819 14.948 4.326 1.00 0.00 C ATOM 1336 OH TYR A 85 1.514 16.121 4.059 1.00 0.00 O ATOM 0 H TYR A 85 -3.479 11.216 6.333 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.949 9.789 6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.880 10.469 4.468 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.368 11.366 4.697 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.274 11.832 5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.287 13.579 3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.521 13.929 5.184 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.052 15.685 3.544 1.00 0.00 H new ATOM 0 HH TYR A 85 0.911 16.771 3.643 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.180 12.745 7.968 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.430 13.650 8.902 1.00 0.00 C ATOM 1348 C VAL A 86 -0.677 13.247 10.348 1.00 0.00 C ATOM 1349 O VAL A 86 -0.249 13.913 11.269 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.865 15.103 8.667 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.227 16.055 9.166 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -1.082 15.321 7.166 1.00 0.00 C ATOM 0 H VAL A 86 -2.132 13.039 7.748 1.00 0.00 H new ATOM 0 HA VAL A 86 0.638 13.561 8.704 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.790 15.301 9.209 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.084 17.086 8.998 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.391 15.894 10.232 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.153 15.863 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.391 16.351 6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.153 15.124 6.632 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.857 14.643 6.808 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.327 12.148 10.562 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.556 11.684 11.957 1.00 0.00 C ATOM 1364 C ASP A 87 -0.539 10.576 12.255 1.00 0.00 C ATOM 1365 O ASP A 87 -0.441 10.092 13.370 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.004 11.183 12.108 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.186 9.762 11.541 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.230 9.198 11.039 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.294 9.257 11.626 1.00 0.00 O ATOM 0 H ASP A 87 -1.712 11.546 9.834 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.420 12.497 12.670 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.282 11.191 13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.680 11.867 11.595 1.00 0.00 H new ATOM 1374 N LEU A 88 0.238 10.178 11.255 1.00 0.00 N ATOM 1375 CA LEU A 88 1.273 9.109 11.476 1.00 0.00 C ATOM 1376 C LEU A 88 2.629 9.607 10.982 1.00 0.00 C ATOM 1377 O LEU A 88 3.630 8.920 11.083 1.00 0.00 O ATOM 1378 CB LEU A 88 0.836 7.783 10.794 1.00 0.00 C ATOM 1379 CG LEU A 88 1.396 7.634 9.366 1.00 0.00 C ATOM 1380 CD1 LEU A 88 0.843 6.344 8.727 1.00 0.00 C ATOM 1381 CD2 LEU A 88 1.018 8.861 8.506 1.00 0.00 C ATOM 0 H LEU A 88 0.196 10.548 10.305 1.00 0.00 H new ATOM 0 HA LEU A 88 1.368 8.894 12.540 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.170 6.941 11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.253 7.739 10.759 1.00 0.00 H new ATOM 0 HG LEU A 88 2.483 7.573 9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.239 6.239 7.717 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.143 5.484 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.245 6.396 8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.422 8.739 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.067 8.948 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.433 9.763 8.956 1.00 0.00 H new ATOM 1393 N GLU A 89 2.687 10.818 10.487 1.00 0.00 N ATOM 1394 CA GLU A 89 3.993 11.366 10.041 1.00 0.00 C ATOM 1395 C GLU A 89 4.617 12.026 11.256 1.00 0.00 C ATOM 1396 O GLU A 89 5.812 12.055 11.414 1.00 0.00 O ATOM 1397 CB GLU A 89 3.784 12.361 8.865 1.00 0.00 C ATOM 1398 CG GLU A 89 3.769 13.833 9.319 1.00 0.00 C ATOM 1399 CD GLU A 89 2.656 14.051 10.334 1.00 0.00 C ATOM 1400 OE1 GLU A 89 1.961 13.096 10.639 1.00 0.00 O ATOM 1401 OE2 GLU A 89 2.523 15.168 10.793 1.00 0.00 O ATOM 0 H GLU A 89 1.889 11.443 10.375 1.00 0.00 H new ATOM 0 HA GLU A 89 4.656 10.589 9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.578 12.221 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.843 12.131 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.731 14.097 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.622 14.486 8.459 1.00 0.00 H new ATOM 1408 N ARG A 90 3.809 12.527 12.138 1.00 0.00 N ATOM 1409 CA ARG A 90 4.356 13.145 13.365 1.00 0.00 C ATOM 1410 C ARG A 90 4.952 12.037 14.231 1.00 0.00 C ATOM 1411 O ARG A 90 5.766 12.278 15.099 1.00 0.00 O ATOM 1412 CB ARG A 90 3.251 13.872 14.129 1.00 0.00 C ATOM 1413 CG ARG A 90 3.869 14.715 15.241 1.00 0.00 C ATOM 1414 CD ARG A 90 2.754 15.290 16.111 1.00 0.00 C ATOM 1415 NE ARG A 90 1.946 16.253 15.303 1.00 0.00 N ATOM 1416 CZ ARG A 90 0.800 16.691 15.751 1.00 0.00 C ATOM 1417 NH1 ARG A 90 0.366 16.310 16.920 1.00 0.00 N ATOM 1418 NH2 ARG A 90 0.078 17.509 15.025 1.00 0.00 N ATOM 0 H ARG A 90 2.792 12.535 12.061 1.00 0.00 H new ATOM 0 HA ARG A 90 5.124 13.874 13.106 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.683 14.507 13.450 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.551 13.151 14.551 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.541 14.106 15.845 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.466 15.521 14.814 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.118 14.488 16.485 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.178 15.792 16.981 1.00 0.00 H new ATOM 0 HE ARG A 90 2.291 16.570 14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.922 15.669 17.486 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.529 16.653 17.268 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.411 17.805 14.107 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -0.817 17.849 15.378 1.00 0.00 H new ATOM 1432 N GLU A 91 4.521 10.814 14.022 1.00 0.00 N ATOM 1433 CA GLU A 91 5.038 9.689 14.861 1.00 0.00 C ATOM 1434 C GLU A 91 6.472 9.290 14.449 1.00 0.00 C ATOM 1435 O GLU A 91 7.435 9.919 14.847 1.00 0.00 O ATOM 1436 CB GLU A 91 4.091 8.492 14.716 1.00 0.00 C ATOM 1437 CG GLU A 91 4.469 7.389 15.705 1.00 0.00 C ATOM 1438 CD GLU A 91 3.576 6.181 15.455 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.770 5.531 14.441 1.00 0.00 O ATOM 1440 OE2 GLU A 91 2.711 5.928 16.276 1.00 0.00 O ATOM 0 H GLU A 91 3.839 10.549 13.312 1.00 0.00 H new ATOM 0 HA GLU A 91 5.077 10.013 15.901 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.063 8.810 14.892 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.135 8.107 13.697 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.517 7.116 15.583 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.349 7.742 16.729 1.00 0.00 H new ATOM 1447 N ALA A 92 6.627 8.248 13.681 1.00 0.00 N ATOM 1448 CA ALA A 92 7.997 7.811 13.273 1.00 0.00 C ATOM 1449 C ALA A 92 8.692 8.906 12.455 1.00 0.00 C ATOM 1450 O ALA A 92 9.855 8.789 12.126 1.00 0.00 O ATOM 1451 CB ALA A 92 7.895 6.550 12.413 1.00 0.00 C ATOM 0 H ALA A 92 5.864 7.677 13.316 1.00 0.00 H new ATOM 0 HA ALA A 92 8.577 7.612 14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.894 6.231 12.115 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.416 5.756 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.302 6.763 11.524 1.00 0.00 H new ATOM 1457 N GLY A 93 7.984 9.940 12.074 1.00 0.00 N ATOM 1458 CA GLY A 93 8.618 10.987 11.222 1.00 0.00 C ATOM 1459 C GLY A 93 8.578 10.451 9.797 1.00 0.00 C ATOM 1460 O GLY A 93 9.271 10.915 8.914 1.00 0.00 O ATOM 0 H GLY A 93 7.006 10.102 12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.079 11.931 11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.643 11.179 11.538 1.00 0.00 H new ATOM 1464 N LYS A 94 7.768 9.439 9.593 1.00 0.00 N ATOM 1465 CA LYS A 94 7.660 8.803 8.250 1.00 0.00 C ATOM 1466 C LYS A 94 6.189 8.684 7.876 1.00 0.00 C ATOM 1467 O LYS A 94 5.328 8.674 8.726 1.00 0.00 O ATOM 1468 CB LYS A 94 8.246 7.396 8.321 1.00 0.00 C ATOM 1469 CG LYS A 94 9.615 7.439 8.993 1.00 0.00 C ATOM 1470 CD LYS A 94 10.301 6.090 8.813 1.00 0.00 C ATOM 1471 CE LYS A 94 11.635 6.112 9.557 1.00 0.00 C ATOM 1472 NZ LYS A 94 12.511 7.163 8.965 1.00 0.00 N ATOM 0 H LYS A 94 7.173 9.025 10.310 1.00 0.00 H new ATOM 0 HA LYS A 94 8.194 9.404 7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.577 6.741 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.336 6.979 7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.223 8.231 8.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.507 7.667 10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.668 5.290 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.463 5.887 7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.471 6.313 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.119 5.138 9.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.481 7.049 9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.512 7.071 7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.152 8.103 9.229 1.00 0.00 H new ATOM 1486 N VAL A 95 5.890 8.567 6.612 1.00 0.00 N ATOM 1487 CA VAL A 95 4.461 8.430 6.186 1.00 0.00 C ATOM 1488 C VAL A 95 4.269 7.047 5.583 1.00 0.00 C ATOM 1489 O VAL A 95 5.006 6.651 4.703 1.00 0.00 O ATOM 1490 CB VAL A 95 4.161 9.494 5.125 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.695 9.404 4.690 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.456 10.892 5.685 1.00 0.00 C ATOM 0 H VAL A 95 6.571 8.560 5.852 1.00 0.00 H new ATOM 0 HA VAL A 95 3.792 8.561 7.037 1.00 0.00 H new ATOM 0 HB VAL A 95 4.798 9.317 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.492 10.164 3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.500 8.417 4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.049 9.567 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.240 11.642 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.832 11.073 6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.506 10.956 5.969 1.00 0.00 H new ATOM 1502 N TYR A 96 3.290 6.301 6.035 1.00 0.00 N ATOM 1503 CA TYR A 96 3.082 4.939 5.452 1.00 0.00 C ATOM 1504 C TYR A 96 1.608 4.602 5.354 1.00 0.00 C ATOM 1505 O TYR A 96 0.768 5.222 5.967 1.00 0.00 O ATOM 1506 CB TYR A 96 3.800 3.893 6.287 1.00 0.00 C ATOM 1507 CG TYR A 96 3.188 3.753 7.652 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.647 4.568 8.688 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.206 2.787 7.891 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.123 4.434 9.974 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.677 2.641 9.176 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.135 3.466 10.221 1.00 0.00 C ATOM 1513 OH TYR A 96 1.613 3.320 11.487 1.00 0.00 O ATOM 0 H TYR A 96 2.636 6.570 6.770 1.00 0.00 H new ATOM 0 HA TYR A 96 3.498 4.940 4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.767 2.932 5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.851 4.165 6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.411 5.306 8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.858 2.157 7.086 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.474 5.069 10.774 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.918 1.897 9.367 1.00 0.00 H new ATOM 0 HH TYR A 96 0.940 2.607 11.483 1.00 0.00 H new ATOM 1523 N LEU A 97 1.287 3.621 4.555 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.137 3.221 4.368 1.00 0.00 C ATOM 1525 C LEU A 97 -0.240 1.680 4.446 1.00 0.00 C ATOM 1526 O LEU A 97 0.651 0.956 4.015 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.615 3.733 2.990 1.00 0.00 C ATOM 1528 CG LEU A 97 0.579 3.778 1.997 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.085 3.501 0.575 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.279 5.161 2.031 1.00 0.00 C ATOM 0 H LEU A 97 1.959 3.073 4.018 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.767 3.653 5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.397 3.081 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.051 4.727 3.093 1.00 0.00 H new ATOM 0 HG LEU A 97 1.296 3.014 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.928 3.534 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.378 2.515 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.647 4.257 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.111 5.165 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.565 5.937 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.654 5.355 3.036 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.329 1.193 5.003 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.547 -0.289 5.147 1.00 0.00 C ATOM 1544 C LYS A 98 -2.955 -0.630 4.657 1.00 0.00 C ATOM 1545 O LYS A 98 -3.913 0.033 5.004 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.392 -0.675 6.637 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.561 -0.107 7.451 1.00 0.00 C ATOM 1548 CD LYS A 98 -2.287 -0.271 8.952 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.191 -1.768 9.307 1.00 0.00 C ATOM 1550 NZ LYS A 98 -0.802 -2.244 9.063 1.00 0.00 N ATOM 0 H LYS A 98 -2.087 1.768 5.369 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.817 -0.842 4.556 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.361 -1.760 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.448 -0.291 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.702 0.947 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.484 -0.621 7.184 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.359 0.235 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.084 0.198 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.463 -1.924 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.895 -2.342 8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.798 -2.909 8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.191 -1.432 8.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.445 -2.724 9.914 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.098 -1.653 3.846 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.464 -2.006 3.348 1.00 0.00 C ATOM 1566 C ALA A 99 -4.514 -3.488 2.907 1.00 0.00 C ATOM 1567 O ALA A 99 -3.563 -3.991 2.353 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.814 -1.111 2.150 1.00 0.00 C ATOM 0 H ALA A 99 -2.340 -2.249 3.513 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.182 -1.853 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.809 -1.365 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.797 -0.066 2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.085 -1.266 1.355 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.625 -4.175 3.105 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.789 -5.599 2.660 1.00 0.00 C ATOM 1576 C PRO A 100 -6.276 -5.679 1.205 1.00 0.00 C ATOM 1577 O PRO A 100 -7.447 -5.528 0.934 1.00 0.00 O ATOM 1578 CB PRO A 100 -6.878 -6.123 3.598 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.763 -4.934 3.819 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.846 -3.699 3.788 1.00 0.00 C ATOM 0 HA PRO A 100 -4.856 -6.161 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.426 -6.952 3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.457 -6.488 4.535 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.528 -4.870 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.282 -5.008 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.308 -2.872 3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.626 -3.340 4.793 1.00 0.00 H new ATOM 1588 N MET A 101 -5.396 -5.906 0.264 1.00 0.00 N ATOM 1589 CA MET A 101 -5.840 -5.978 -1.178 1.00 0.00 C ATOM 1590 C MET A 101 -6.041 -7.434 -1.618 1.00 0.00 C ATOM 1591 O MET A 101 -5.229 -8.290 -1.343 1.00 0.00 O ATOM 1592 CB MET A 101 -4.773 -5.324 -2.067 1.00 0.00 C ATOM 1593 CG MET A 101 -5.186 -5.376 -3.546 1.00 0.00 C ATOM 1594 SD MET A 101 -6.582 -4.257 -3.835 1.00 0.00 S ATOM 1595 CE MET A 101 -5.660 -2.693 -3.897 1.00 0.00 C ATOM 0 H MET A 101 -4.398 -6.044 0.420 1.00 0.00 H new ATOM 0 HA MET A 101 -6.790 -5.452 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.625 -4.288 -1.763 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.819 -5.835 -1.933 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.344 -5.093 -4.178 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.462 -6.394 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.042 -2.015 -3.134 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.603 -2.886 -3.714 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.781 -2.238 -4.880 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.114 -7.714 -2.326 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.359 -9.105 -2.816 1.00 0.00 C ATOM 1607 C ILE A 102 -6.823 -9.290 -4.239 1.00 0.00 C ATOM 1608 O ILE A 102 -7.128 -8.545 -5.147 1.00 0.00 O ATOM 1609 CB ILE A 102 -8.867 -9.433 -2.762 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.691 -8.208 -3.179 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.264 -9.863 -1.347 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.184 -8.555 -3.108 1.00 0.00 C ATOM 0 H ILE A 102 -7.830 -7.035 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.825 -9.794 -2.162 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.069 -10.251 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.470 -7.366 -2.523 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.424 -7.903 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.329 -10.092 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.696 -10.749 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.050 -9.055 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -11.774 -7.687 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.397 -9.385 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.443 -8.840 -2.088 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.052 -10.329 -4.427 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.497 -10.662 -5.763 1.00 0.00 C ATOM 1626 C LEU A 103 -6.283 -11.875 -6.250 1.00 0.00 C ATOM 1627 O LEU A 103 -7.203 -12.300 -5.586 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.015 -11.015 -5.639 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.165 -9.735 -5.596 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.447 -8.953 -4.303 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -1.682 -10.130 -5.678 1.00 0.00 C ATOM 0 H LEU A 103 -5.779 -10.975 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 103 -5.581 -9.824 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.848 -11.601 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.710 -11.635 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.418 -9.091 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.839 -8.049 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.502 -8.682 -4.265 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.200 -9.573 -3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.064 -9.232 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.429 -10.772 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.499 -10.666 -6.609 1.00 0.00 H new ATOM 1643 N ASN A 104 -5.966 -12.430 -7.388 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.757 -13.615 -7.855 1.00 0.00 C ATOM 1645 C ASN A 104 -6.553 -14.774 -6.866 1.00 0.00 C ATOM 1646 O ASN A 104 -5.993 -15.800 -7.187 1.00 0.00 O ATOM 1647 CB ASN A 104 -6.280 -14.042 -9.248 1.00 0.00 C ATOM 1648 CG ASN A 104 -7.300 -14.992 -9.890 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.398 -15.167 -9.390 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -6.974 -15.614 -10.988 1.00 0.00 N ATOM 0 H ASN A 104 -5.213 -12.127 -8.005 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.814 -13.352 -7.905 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.143 -13.163 -9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.310 -14.534 -9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.638 -16.249 -11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.055 -15.466 -11.404 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.017 -14.604 -5.664 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.868 -15.666 -4.635 1.00 0.00 C ATOM 1659 C GLY A 105 -7.582 -15.204 -3.368 1.00 0.00 C ATOM 1660 O GLY A 105 -8.767 -15.405 -3.196 1.00 0.00 O ATOM 0 H GLY A 105 -7.500 -13.764 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.295 -16.604 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.814 -15.853 -4.431 1.00 0.00 H new ATOM 1664 N VAL A 106 -6.875 -14.543 -2.491 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.522 -14.022 -1.249 1.00 0.00 C ATOM 1666 C VAL A 106 -6.802 -12.741 -0.829 1.00 0.00 C ATOM 1667 O VAL A 106 -5.916 -12.269 -1.513 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.502 -15.058 -0.102 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.824 -14.980 0.687 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.354 -16.471 -0.675 1.00 0.00 C ATOM 0 H VAL A 106 -5.879 -14.341 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.571 -13.815 -1.461 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.660 -14.839 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.809 -15.711 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.940 -13.980 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.659 -15.194 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.341 -17.195 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.193 -16.685 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.422 -16.540 -1.237 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.202 -12.158 0.270 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.577 -10.881 0.714 1.00 0.00 C ATOM 1682 C CYS A 107 -5.156 -11.089 1.206 1.00 0.00 C ATOM 1683 O CYS A 107 -4.824 -12.062 1.851 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.413 -10.263 1.838 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.864 -11.545 3.012 1.00 0.00 S ATOM 0 H CYS A 107 -7.938 -12.514 0.880 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.544 -10.212 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.847 -9.478 2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.309 -9.798 1.427 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.047 -11.298 3.491 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.338 -10.124 0.921 1.00 0.00 N ATOM 1692 CA VAL A 108 -2.924 -10.138 1.359 1.00 0.00 C ATOM 1693 C VAL A 108 -2.694 -8.786 2.017 1.00 0.00 C ATOM 1694 O VAL A 108 -3.297 -7.802 1.629 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.006 -10.335 0.141 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.003 -9.093 -0.754 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.585 -10.634 0.618 1.00 0.00 C ATOM 0 H VAL A 108 -4.602 -9.298 0.384 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.705 -10.951 2.051 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.383 -11.173 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.346 -9.261 -1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.015 -8.898 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.646 -8.235 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.066 -10.774 -0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.219 -9.800 1.217 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.587 -11.541 1.222 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.880 -8.719 3.041 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.688 -7.416 3.746 1.00 0.00 C ATOM 1709 C ILE A 109 -0.464 -6.673 3.196 1.00 0.00 C ATOM 1710 O ILE A 109 0.659 -7.133 3.275 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.521 -7.697 5.252 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.864 -6.439 6.057 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.085 -8.146 5.585 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.784 -6.745 7.555 1.00 0.00 C ATOM 0 H ILE A 109 -1.345 -9.502 3.416 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.557 -6.779 3.582 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.202 -8.505 5.520 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.174 -5.634 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.865 -6.093 5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.002 -8.336 6.655 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.148 -9.058 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.617 -7.362 5.300 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.029 -5.848 8.123 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.492 -7.536 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.774 -7.070 7.807 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.692 -5.512 2.647 1.00 0.00 N ATOM 1727 CA TRP A 110 0.422 -4.685 2.086 1.00 0.00 C ATOM 1728 C TRP A 110 0.593 -3.446 2.974 1.00 0.00 C ATOM 1729 O TRP A 110 -0.328 -2.677 3.143 1.00 0.00 O ATOM 1730 CB TRP A 110 0.032 -4.252 0.665 1.00 0.00 C ATOM 1731 CG TRP A 110 1.200 -3.628 -0.047 1.00 0.00 C ATOM 1732 CD1 TRP A 110 2.009 -4.276 -0.922 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.690 -2.253 0.014 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.966 -3.393 -1.385 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.811 -2.138 -0.844 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.281 -1.108 0.724 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.500 -0.936 -0.995 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.980 0.109 0.575 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.086 0.192 -0.286 1.00 0.00 C ATOM 0 H TRP A 110 -1.617 -5.092 2.560 1.00 0.00 H new ATOM 0 HA TRP A 110 1.354 -5.249 2.056 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.323 -5.115 0.102 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.793 -3.541 0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.920 -5.313 -1.210 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.700 -3.642 -2.049 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.429 -1.161 1.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.351 -0.878 -1.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.662 0.982 1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.615 1.127 -0.399 1.00 0.00 H new ATOM 1750 N LYS A 111 1.762 -3.233 3.530 1.00 0.00 N ATOM 1751 CA LYS A 111 1.980 -2.019 4.393 1.00 0.00 C ATOM 1752 C LYS A 111 3.363 -1.454 4.149 1.00 0.00 C ATOM 1753 O LYS A 111 4.248 -1.547 4.974 1.00 0.00 O ATOM 1754 CB LYS A 111 1.827 -2.351 5.883 1.00 0.00 C ATOM 1755 CG LYS A 111 2.497 -3.683 6.191 1.00 0.00 C ATOM 1756 CD LYS A 111 2.305 -3.998 7.671 1.00 0.00 C ATOM 1757 CE LYS A 111 3.203 -5.172 8.055 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.027 -5.472 9.502 1.00 0.00 N ATOM 0 H LYS A 111 2.574 -3.842 3.427 1.00 0.00 H new ATOM 0 HA LYS A 111 1.222 -1.283 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.273 -1.562 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.771 -2.396 6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.065 -4.474 5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.559 -3.636 5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.549 -3.125 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.262 -4.242 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 111 2.952 -6.048 7.457 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.245 -4.931 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.637 -6.271 9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.287 -4.636 10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.034 -5.718 9.687 1.00 0.00 H new ATOM 1772 N GLY A 112 3.531 -0.840 3.028 1.00 0.00 N ATOM 1773 CA GLY A 112 4.837 -0.223 2.701 1.00 0.00 C ATOM 1774 C GLY A 112 5.003 1.076 3.486 1.00 0.00 C ATOM 1775 O GLY A 112 4.032 1.732 3.812 1.00 0.00 O ATOM 0 H GLY A 112 2.813 -0.735 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.646 -0.912 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.898 -0.023 1.631 1.00 0.00 H new ATOM 1779 N TRP A 113 6.223 1.469 3.773 1.00 0.00 N ATOM 1780 CA TRP A 113 6.460 2.746 4.513 1.00 0.00 C ATOM 1781 C TRP A 113 7.626 3.498 3.876 1.00 0.00 C ATOM 1782 O TRP A 113 8.409 2.944 3.140 1.00 0.00 O ATOM 1783 CB TRP A 113 6.727 2.470 6.011 1.00 0.00 C ATOM 1784 CG TRP A 113 7.771 1.409 6.222 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.487 0.138 6.592 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.227 1.484 6.128 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.663 -0.570 6.721 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.759 0.205 6.439 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.131 2.510 5.800 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.127 -0.046 6.425 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.514 2.255 5.786 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.009 0.979 6.096 1.00 0.00 C ATOM 0 H TRP A 113 7.068 0.955 3.524 1.00 0.00 H new ATOM 0 HA TRP A 113 5.566 3.367 4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.047 3.392 6.496 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.798 2.163 6.492 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.496 -0.258 6.760 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.712 -1.552 6.993 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.762 3.496 5.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.502 -1.029 6.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.202 3.049 5.534 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.073 0.793 6.079 1.00 0.00 H new ATOM 1803 N ILE A 114 7.722 4.772 4.125 1.00 0.00 N ATOM 1804 CA ILE A 114 8.815 5.582 3.514 1.00 0.00 C ATOM 1805 C ILE A 114 9.074 6.814 4.391 1.00 0.00 C ATOM 1806 O ILE A 114 8.160 7.408 4.933 1.00 0.00 O ATOM 1807 CB ILE A 114 8.402 6.028 2.090 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.938 6.496 2.084 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.576 4.896 1.060 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.458 6.726 0.641 1.00 0.00 C ATOM 0 H ILE A 114 7.087 5.293 4.730 1.00 0.00 H new ATOM 0 HA ILE A 114 9.723 4.983 3.447 1.00 0.00 H new ATOM 0 HB ILE A 114 9.058 6.851 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.309 5.750 2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.841 7.417 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.275 5.251 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.621 4.588 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.955 4.047 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.420 7.057 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.077 7.489 0.169 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.536 5.795 0.079 1.00 0.00 H new ATOM 1822 N ASP A 115 10.320 7.201 4.534 1.00 0.00 N ATOM 1823 CA ASP A 115 10.639 8.382 5.381 1.00 0.00 C ATOM 1824 C ASP A 115 10.171 9.652 4.675 1.00 0.00 C ATOM 1825 O ASP A 115 9.883 9.655 3.495 1.00 0.00 O ATOM 1826 CB ASP A 115 12.148 8.441 5.642 1.00 0.00 C ATOM 1827 CG ASP A 115 12.430 9.342 6.855 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.511 10.010 7.296 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.564 9.356 7.310 1.00 0.00 O ATOM 0 H ASP A 115 11.124 6.748 4.100 1.00 0.00 H new ATOM 0 HA ASP A 115 10.124 8.297 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.535 7.438 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.664 8.827 4.763 1.00 0.00 H new ATOM 1834 N LEU A 116 10.055 10.717 5.412 1.00 0.00 N ATOM 1835 CA LEU A 116 9.556 11.992 4.829 1.00 0.00 C ATOM 1836 C LEU A 116 10.561 12.540 3.801 1.00 0.00 C ATOM 1837 O LEU A 116 10.201 13.315 2.938 1.00 0.00 O ATOM 1838 CB LEU A 116 9.337 13.006 5.975 1.00 0.00 C ATOM 1839 CG LEU A 116 8.304 14.101 5.575 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.501 14.547 6.810 1.00 0.00 C ATOM 1841 CD2 LEU A 116 9.025 15.324 4.972 1.00 0.00 C ATOM 0 H LEU A 116 10.287 10.760 6.404 1.00 0.00 H new ATOM 0 HA LEU A 116 8.613 11.819 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.988 12.482 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.286 13.476 6.233 1.00 0.00 H new ATOM 0 HG LEU A 116 7.627 13.679 4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.782 15.313 6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.971 13.691 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.181 14.954 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.290 16.081 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.715 15.738 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.580 15.018 4.085 1.00 0.00 H new ATOM 1853 N HIS A 117 11.819 12.156 3.871 1.00 0.00 N ATOM 1854 CA HIS A 117 12.817 12.693 2.882 1.00 0.00 C ATOM 1855 C HIS A 117 13.079 11.674 1.771 1.00 0.00 C ATOM 1856 O HIS A 117 12.853 11.960 0.614 1.00 0.00 O ATOM 1857 CB HIS A 117 14.115 13.071 3.620 1.00 0.00 C ATOM 1858 CG HIS A 117 14.986 11.867 3.846 1.00 0.00 C ATOM 1859 ND1 HIS A 117 16.178 11.674 3.171 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.864 10.804 4.698 1.00 0.00 C ATOM 1861 CE1 HIS A 117 16.725 10.535 3.633 1.00 0.00 C ATOM 1862 NE2 HIS A 117 15.965 9.962 4.565 1.00 0.00 N ATOM 0 H HIS A 117 12.194 11.504 4.560 1.00 0.00 H new ATOM 0 HA HIS A 117 12.413 13.588 2.409 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.662 13.814 3.040 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.871 13.530 4.578 1.00 0.00 H new ATOM 0 HD1 HIS A 117 16.571 12.284 2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.037 10.642 5.373 1.00 0.00 H new ATOM 0 HE1 HIS A 117 17.667 10.134 3.290 1.00 0.00 H new ATOM 1870 N ARG A 118 13.538 10.495 2.087 1.00 0.00 N ATOM 1871 CA ARG A 118 13.783 9.498 1.008 1.00 0.00 C ATOM 1872 C ARG A 118 12.549 8.603 0.839 1.00 0.00 C ATOM 1873 O ARG A 118 12.017 8.051 1.785 1.00 0.00 O ATOM 1874 CB ARG A 118 15.018 8.662 1.352 1.00 0.00 C ATOM 1875 CG ARG A 118 14.770 7.870 2.627 1.00 0.00 C ATOM 1876 CD ARG A 118 16.069 7.208 3.053 1.00 0.00 C ATOM 1877 NE ARG A 118 15.792 6.277 4.172 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.712 5.442 4.546 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.836 5.396 3.888 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.507 4.654 5.562 1.00 0.00 N ATOM 0 H ARG A 118 13.752 10.181 3.034 1.00 0.00 H new ATOM 0 HA ARG A 118 13.965 10.015 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.248 7.983 0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.883 9.312 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.406 8.529 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.000 7.117 2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.509 6.668 2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.793 7.963 3.361 1.00 0.00 H new ATOM 0 HE ARG A 118 14.888 6.292 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.985 6.012 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.567 4.744 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.621 4.692 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 118 17.232 3.999 5.854 1.00 0.00 H new ATOM 1894 N LEU A 119 12.087 8.485 -0.379 1.00 0.00 N ATOM 1895 CA LEU A 119 10.885 7.650 -0.679 1.00 0.00 C ATOM 1896 C LEU A 119 11.297 6.197 -0.947 1.00 0.00 C ATOM 1897 O LEU A 119 10.515 5.412 -1.422 1.00 0.00 O ATOM 1898 CB LEU A 119 10.151 8.215 -1.904 1.00 0.00 C ATOM 1899 CG LEU A 119 9.865 9.707 -1.704 1.00 0.00 C ATOM 1900 CD1 LEU A 119 9.077 10.229 -2.909 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.045 9.917 -0.427 1.00 0.00 C ATOM 0 H LEU A 119 12.500 8.940 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 119 10.219 7.673 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.756 8.069 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.217 7.675 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 119 10.807 10.248 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.869 11.291 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.663 10.086 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.137 9.683 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.846 10.980 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.101 9.379 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.604 9.541 0.430 1.00 0.00 H new ATOM 1913 N ASP A 120 12.521 5.837 -0.656 1.00 0.00 N ATOM 1914 CA ASP A 120 12.992 4.424 -0.919 1.00 0.00 C ATOM 1915 C ASP A 120 12.885 3.581 0.350 1.00 0.00 C ATOM 1916 O ASP A 120 13.837 2.961 0.784 1.00 0.00 O ATOM 1917 CB ASP A 120 14.456 4.444 -1.351 1.00 0.00 C ATOM 1918 CG ASP A 120 15.312 5.006 -0.208 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.760 5.696 0.633 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.501 4.734 -0.188 1.00 0.00 O ATOM 0 H ASP A 120 13.222 6.454 -0.247 1.00 0.00 H new ATOM 0 HA ASP A 120 12.366 3.995 -1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.786 3.437 -1.607 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.575 5.056 -2.245 1.00 0.00 H new ATOM 1925 N GLY A 121 11.741 3.543 0.941 1.00 0.00 N ATOM 1926 CA GLY A 121 11.576 2.729 2.174 1.00 0.00 C ATOM 1927 C GLY A 121 11.605 1.244 1.832 1.00 0.00 C ATOM 1928 O GLY A 121 12.196 0.811 0.860 1.00 0.00 O ATOM 0 H GLY A 121 10.906 4.039 0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.372 2.962 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.633 2.979 2.660 1.00 0.00 H new ATOM 1932 N MET A 122 10.927 0.481 2.633 1.00 0.00 N ATOM 1933 CA MET A 122 10.830 -0.989 2.425 1.00 0.00 C ATOM 1934 C MET A 122 9.377 -1.386 2.700 1.00 0.00 C ATOM 1935 O MET A 122 8.662 -0.666 3.365 1.00 0.00 O ATOM 1936 CB MET A 122 11.747 -1.707 3.422 1.00 0.00 C ATOM 1937 CG MET A 122 11.955 -3.142 2.956 1.00 0.00 C ATOM 1938 SD MET A 122 12.812 -4.088 4.244 1.00 0.00 S ATOM 1939 CE MET A 122 14.502 -3.514 3.919 1.00 0.00 C ATOM 0 H MET A 122 10.420 0.823 3.449 1.00 0.00 H new ATOM 0 HA MET A 122 11.128 -1.261 1.412 1.00 0.00 H new ATOM 0 HB2 MET A 122 12.705 -1.191 3.492 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.304 -1.695 4.418 1.00 0.00 H new ATOM 0 HG2 MET A 122 10.994 -3.604 2.731 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.537 -3.154 2.035 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.008 -3.319 4.864 1.00 0.00 H new ATOM 0 HE2 MET A 122 15.047 -4.280 3.367 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.468 -2.598 3.330 1.00 0.00 H new ATOM 1949 N GLY A 123 8.910 -2.504 2.214 1.00 0.00 N ATOM 1950 CA GLY A 123 7.492 -2.866 2.497 1.00 0.00 C ATOM 1951 C GLY A 123 7.291 -4.370 2.405 1.00 0.00 C ATOM 1952 O GLY A 123 7.253 -4.946 1.335 1.00 0.00 O ATOM 0 H GLY A 123 9.435 -3.169 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.214 -2.518 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.835 -2.363 1.788 1.00 0.00 H new ATOM 1956 N CYS A 124 7.150 -5.010 3.526 1.00 0.00 N ATOM 1957 CA CYS A 124 6.928 -6.482 3.530 1.00 0.00 C ATOM 1958 C CYS A 124 5.433 -6.784 3.436 1.00 0.00 C ATOM 1959 O CYS A 124 4.620 -6.073 3.992 1.00 0.00 O ATOM 1960 CB CYS A 124 7.488 -7.060 4.838 1.00 0.00 C ATOM 1961 SG CYS A 124 6.354 -6.668 6.194 1.00 0.00 S ATOM 0 H CYS A 124 7.179 -4.576 4.448 1.00 0.00 H new ATOM 0 HA CYS A 124 7.432 -6.932 2.675 1.00 0.00 H new ATOM 0 HB2 CYS A 124 7.610 -8.140 4.750 1.00 0.00 H new ATOM 0 HB3 CYS A 124 8.475 -6.644 5.041 1.00 0.00 H new ATOM 0 HG CYS A 124 5.245 -6.194 5.709 1.00 0.00 H new ATOM 1967 N LEU A 125 5.065 -7.857 2.775 1.00 0.00 N ATOM 1968 CA LEU A 125 3.613 -8.221 2.697 1.00 0.00 C ATOM 1969 C LEU A 125 3.482 -9.739 2.833 1.00 0.00 C ATOM 1970 O LEU A 125 4.385 -10.478 2.500 1.00 0.00 O ATOM 1971 CB LEU A 125 2.998 -7.728 1.381 1.00 0.00 C ATOM 1972 CG LEU A 125 3.543 -8.512 0.178 1.00 0.00 C ATOM 1973 CD1 LEU A 125 2.778 -8.109 -1.101 1.00 0.00 C ATOM 1974 CD2 LEU A 125 5.057 -8.227 0.014 1.00 0.00 C ATOM 0 H LEU A 125 5.700 -8.491 2.290 1.00 0.00 H new ATOM 0 HA LEU A 125 3.068 -7.737 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 125 1.914 -7.831 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.212 -6.667 1.253 1.00 0.00 H new ATOM 0 HG LEU A 125 3.401 -9.579 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.169 -8.669 -1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.718 -8.332 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.905 -7.041 -1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.442 -8.784 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.211 -7.160 -0.150 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.585 -8.536 0.916 1.00 0.00 H new ATOM 1986 N GLU A 126 2.378 -10.217 3.341 1.00 0.00 N ATOM 1987 CA GLU A 126 2.232 -11.692 3.518 1.00 0.00 C ATOM 1988 C GLU A 126 0.759 -12.099 3.482 1.00 0.00 C ATOM 1989 O GLU A 126 -0.103 -11.424 4.016 1.00 0.00 O ATOM 1990 CB GLU A 126 2.796 -12.092 4.886 1.00 0.00 C ATOM 1991 CG GLU A 126 4.275 -11.719 4.983 1.00 0.00 C ATOM 1992 CD GLU A 126 4.872 -12.327 6.252 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.108 -12.824 7.061 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.082 -12.274 6.393 1.00 0.00 O ATOM 0 H GLU A 126 1.579 -9.658 3.638 1.00 0.00 H new ATOM 0 HA GLU A 126 2.768 -12.189 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.236 -11.593 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.674 -13.165 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.811 -12.082 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.387 -10.635 4.999 1.00 0.00 H new ATOM 2001 N PHE A 127 0.485 -13.236 2.912 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.907 -13.763 2.884 1.00 0.00 C ATOM 2003 C PHE A 127 -1.229 -14.287 4.293 1.00 0.00 C ATOM 2004 O PHE A 127 -1.026 -15.451 4.592 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.971 -14.904 1.835 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.704 -14.469 0.578 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -1.024 -13.790 -0.455 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.059 -14.791 0.432 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.709 -13.438 -1.625 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.741 -14.431 -0.733 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.068 -13.756 -1.764 1.00 0.00 C ATOM 0 H PHE A 127 1.176 -13.832 2.457 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.632 -12.997 2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.040 -15.218 1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.473 -15.769 2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.021 -13.542 -0.344 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.577 -15.318 1.220 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.191 -12.922 -2.420 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.788 -14.672 -0.841 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.597 -13.481 -2.665 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.727 -13.428 5.159 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.076 -13.850 6.556 1.00 0.00 C ATOM 2023 C ASP A 128 -3.323 -13.095 7.021 1.00 0.00 C ATOM 2024 O ASP A 128 -3.633 -13.049 8.198 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.919 -13.536 7.510 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.169 -14.234 8.851 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.222 -14.838 8.994 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.308 -14.154 9.708 1.00 0.00 O ATOM 0 H ASP A 128 -1.907 -12.445 4.954 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.265 -14.923 6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.024 -13.874 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.835 -12.459 7.657 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.023 -12.484 6.116 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.233 -11.713 6.512 1.00 0.00 C ATOM 2035 C GLU A 129 -6.308 -12.650 7.098 1.00 0.00 C ATOM 2036 O GLU A 129 -6.782 -13.580 6.462 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.757 -10.957 5.277 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.930 -9.694 5.047 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.236 -8.667 6.141 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -6.403 -8.345 6.312 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -4.306 -8.225 6.790 1.00 0.00 O ATOM 0 H GLU A 129 -3.813 -12.483 5.118 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.979 -10.994 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.706 -11.600 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.805 -10.694 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.868 -9.938 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.156 -9.274 4.067 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.710 -12.407 8.314 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.759 -13.269 8.923 1.00 0.00 C ATOM 2050 C GLU A 130 -9.028 -13.154 8.093 1.00 0.00 C ATOM 2051 O GLU A 130 -9.793 -14.087 7.965 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.022 -12.830 10.363 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.687 -11.447 10.404 1.00 0.00 C ATOM 2054 CD GLU A 130 -7.707 -10.386 9.895 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -6.518 -10.652 9.903 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.162 -9.317 9.516 1.00 0.00 O ATOM 0 H GLU A 130 -6.361 -11.655 8.908 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.427 -14.307 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.662 -13.560 10.858 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.083 -12.802 10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -9.588 -11.448 9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.996 -11.212 11.423 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.245 -12.022 7.497 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.449 -11.893 6.657 1.00 0.00 C ATOM 2065 C ARG A 131 -10.248 -12.835 5.480 1.00 0.00 C ATOM 2066 O ARG A 131 -11.179 -13.231 4.821 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.684 -10.437 6.203 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.378 -9.748 5.827 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.653 -8.257 5.604 1.00 0.00 C ATOM 2070 NE ARG A 131 -10.584 -8.105 4.449 1.00 0.00 N ATOM 2071 CZ ARG A 131 -11.189 -6.969 4.237 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -10.953 -5.951 5.022 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -12.038 -6.848 3.250 1.00 0.00 N ATOM 0 H ARG A 131 -8.650 -11.196 7.555 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.345 -12.159 7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.360 -10.427 5.348 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.172 -9.880 7.003 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.640 -9.882 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -8.962 -10.194 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -10.089 -7.816 6.500 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -8.721 -7.727 5.409 1.00 0.00 H new ATOM 0 HE ARG A 131 -10.748 -8.893 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -10.297 -6.046 5.798 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -11.424 -5.061 4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -12.230 -7.644 2.642 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -12.509 -5.958 3.088 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.023 -13.238 5.240 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.754 -14.188 4.128 1.00 0.00 C ATOM 2089 C ALA A 132 -9.460 -15.504 4.384 1.00 0.00 C ATOM 2090 O ALA A 132 -10.102 -16.055 3.510 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.256 -14.476 4.042 1.00 0.00 C ATOM 0 H ALA A 132 -8.201 -12.947 5.769 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.113 -13.738 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.066 -15.173 3.225 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.717 -13.547 3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -6.915 -14.915 4.980 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.324 -16.042 5.555 1.00 0.00 N ATOM 2098 CA GLN A 133 -9.977 -17.364 5.793 1.00 0.00 C ATOM 2099 C GLN A 133 -11.499 -17.234 5.631 1.00 0.00 C ATOM 2100 O GLN A 133 -12.125 -18.012 4.930 1.00 0.00 O ATOM 2101 CB GLN A 133 -9.632 -17.904 7.209 1.00 0.00 C ATOM 2102 CG GLN A 133 -10.543 -17.288 8.284 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.040 -17.685 9.672 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -10.322 -17.026 10.653 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -9.295 -18.743 9.793 1.00 0.00 N ATOM 0 H GLN A 133 -8.808 -15.645 6.340 1.00 0.00 H new ATOM 0 HA GLN A 133 -9.599 -18.073 5.057 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -9.735 -18.989 7.221 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -8.591 -17.680 7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -10.554 -16.202 8.187 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.568 -17.631 8.146 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -9.058 -19.297 8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -8.947 -19.020 10.711 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.113 -16.273 6.275 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.603 -16.153 6.148 1.00 0.00 C ATOM 2116 C GLN A 134 -14.025 -15.503 4.821 1.00 0.00 C ATOM 2117 O GLN A 134 -14.981 -15.929 4.207 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.179 -15.367 7.328 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.469 -14.020 7.457 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.892 -13.326 8.755 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -13.851 -13.912 9.821 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.299 -12.087 8.710 1.00 0.00 N ATOM 0 H GLN A 134 -11.662 -15.579 6.871 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.007 -17.165 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.248 -15.211 7.184 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.061 -15.939 8.248 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.389 -14.167 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.711 -13.389 6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.334 -11.594 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.582 -11.612 9.567 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.348 -14.484 4.351 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.788 -13.875 3.056 1.00 0.00 C ATOM 2133 C GLU A 135 -13.640 -14.909 1.943 1.00 0.00 C ATOM 2134 O GLU A 135 -14.438 -14.967 1.034 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.969 -12.611 2.729 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.638 -12.974 2.060 1.00 0.00 C ATOM 2137 CD GLU A 135 -10.670 -11.788 2.143 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -10.775 -11.021 3.091 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -9.845 -11.662 1.255 1.00 0.00 O ATOM 0 H GLU A 135 -12.533 -14.057 4.792 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.833 -13.576 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.545 -11.961 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.779 -12.050 3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.202 -13.845 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.807 -13.244 1.018 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.644 -15.749 2.002 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.510 -16.765 0.922 1.00 0.00 C ATOM 2148 C ASP A 136 -13.778 -17.610 0.930 1.00 0.00 C ATOM 2149 O ASP A 136 -14.319 -17.955 -0.101 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.304 -17.670 1.173 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.008 -18.440 -0.110 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -11.795 -19.308 -0.448 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.008 -18.139 -0.738 1.00 0.00 O ATOM 0 H ASP A 136 -11.933 -15.777 2.733 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.367 -16.267 -0.037 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.439 -17.076 1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.511 -18.360 1.991 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.271 -17.927 2.090 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.526 -18.715 2.161 1.00 0.00 C ATOM 2160 C ALA A 137 -16.661 -17.855 1.589 1.00 0.00 C ATOM 2161 O ALA A 137 -17.474 -18.303 0.803 1.00 0.00 O ATOM 2162 CB ALA A 137 -15.800 -19.052 3.628 1.00 0.00 C ATOM 0 H ALA A 137 -13.861 -17.675 2.989 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.449 -19.640 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -16.720 -19.632 3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -14.970 -19.634 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -15.905 -18.130 4.200 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.715 -16.614 1.993 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.788 -15.695 1.504 1.00 0.00 C ATOM 2170 C LEU A 138 -17.394 -15.040 0.170 1.00 0.00 C ATOM 2171 O LEU A 138 -18.095 -14.179 -0.330 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.010 -14.600 2.539 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.439 -15.214 3.878 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -18.584 -14.099 4.925 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -19.778 -15.957 3.718 1.00 0.00 C ATOM 0 H LEU A 138 -16.056 -16.192 2.647 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.697 -16.277 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.094 -14.024 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.774 -13.907 2.187 1.00 0.00 H new ATOM 0 HG LEU A 138 -17.681 -15.926 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -18.889 -14.532 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -17.629 -13.588 5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.337 -13.384 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.071 -16.388 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.545 -15.258 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.667 -16.752 2.981 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.283 -15.413 -0.404 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.876 -14.786 -1.698 1.00 0.00 C ATOM 2189 C ALA A 139 -16.961 -15.064 -2.733 1.00 0.00 C ATOM 2190 O ALA A 139 -17.174 -14.299 -3.655 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.567 -15.393 -2.196 1.00 0.00 C ATOM 0 H ALA A 139 -15.643 -16.118 -0.039 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.741 -13.715 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.285 -14.925 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.783 -15.223 -1.458 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.697 -16.465 -2.347 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.643 -16.171 -2.593 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.709 -16.522 -3.560 1.00 0.00 C ATOM 2199 C GLN A 140 -19.943 -15.669 -3.279 1.00 0.00 C ATOM 2200 O GLN A 140 -20.304 -15.448 -2.143 1.00 0.00 O ATOM 2201 CB GLN A 140 -19.087 -17.997 -3.388 1.00 0.00 C ATOM 2202 CG GLN A 140 -20.009 -18.415 -4.522 1.00 0.00 C ATOM 2203 CD GLN A 140 -20.483 -19.849 -4.278 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -21.095 -20.137 -3.268 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -20.218 -20.771 -5.163 1.00 0.00 N ATOM 0 H GLN A 140 -17.501 -16.848 -1.843 1.00 0.00 H new ATOM 0 HA GLN A 140 -18.350 -16.344 -4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.190 -18.616 -3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -19.581 -18.148 -2.428 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -20.864 -17.741 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -19.486 -18.349 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -19.705 -20.531 -6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -20.524 -21.731 -5.006 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.604 -15.200 -4.303 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.825 -14.367 -4.098 1.00 0.00 C ATOM 2216 C GLN A 141 -23.062 -15.265 -4.191 1.00 0.00 C ATOM 2217 O GLN A 141 -23.145 -16.015 -5.148 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.888 -13.303 -5.199 1.00 0.00 C ATOM 2219 CG GLN A 141 -20.638 -12.427 -5.139 1.00 0.00 C ATOM 2220 CD GLN A 141 -20.575 -11.698 -3.802 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -19.993 -12.187 -2.854 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -21.152 -10.537 -3.693 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.899 -15.192 -3.305 1.00 0.00 O ATOM 0 H GLN A 141 -20.350 -15.359 -5.278 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.792 -13.887 -3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -21.963 -13.781 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -22.780 -12.689 -5.075 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -19.747 -13.041 -5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -20.650 -11.705 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -21.639 -10.132 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -21.118 -10.031 -2.808 1.00 0.00 H new TER 2232 GLN A 141