USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 981 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 98 HIS : no HD1:sc= -3.01 K(o=-3.5,f=-5.1!) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= -0.49 USER MOD Set 2.1: A 99 GLN : amide:sc= -3.92! C(o=-2.8!,f=-11!) USER MOD Set 2.2: A 101 SER OG : rot -99:sc= 1.17 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.335 X(o=-1.7,f=-1.8) USER MOD Set 3.2: A 59 MET CE :methyl 138:sc= -0.473 (180deg=-1.19) USER MOD Set 3.3: A 61 ASN : amide:sc= 0.0355 K(o=-1.7,f=-5.1) USER MOD Set 3.4: A 72 GLN : amide:sc= -0.962 K(o=-1.7,f=-10!) USER MOD Set 4.1: A 52 HIS : no HE2:sc= -1.74 K(o=-1.6,f=-6.2!) USER MOD Set 4.2: A 58 THR OG1 : rot 180:sc= 0.135 USER MOD Set 5.1: A 53 TYR OH : rot 111:sc= 0.609 USER MOD Set 5.2: A 57 HIS : no HE2:sc= -5.47! K(o=-4.9!,f=-2.1) USER MOD Set 6.1: A 50 SER OG : rot -81:sc= 0.44 USER MOD Set 6.2: A 60 THR OG1 : rot 29:sc= 0.804 USER MOD Set 7.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.193 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.289 K(o=-0.29,f=-3!) USER MOD Single : A 14 TYR OH : rot -46:sc= 0.492 USER MOD Single : A 18 MET CE :methyl -165:sc= -0.84 (180deg=-1.24) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -107:sc= 0.138 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.333 X(o=-0.33,f=-0.011) USER MOD Single : A 35 LYS NZ :NH3+ 165:sc= -0.0528 (180deg=-0.468) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -2.98 K(o=-3,f=-7!) USER MOD Single : A 45 GLN : amide:sc= 0.476 K(o=0.48,f=-0.92) USER MOD Single : A 48 THR OG1 : rot 48:sc= 1.09 USER MOD Single : A 54 SER OG : rot -51:sc= 0.604 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -31:sc= 0.00695 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -15:sc= 0.654 USER MOD Single : A 70 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.72) USER MOD Single : A 73 THR OG1 : rot 17:sc= 0.392 USER MOD Single : A 74 MET CE :methyl 153:sc= -0.123 (180deg=-0.774) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0988 (180deg=-0.0988) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.848 K(o=-0.85,f=-0.24) USER MOD Single : A 96 ASN : amide:sc= -2.39! C(o=-2.4!,f=-3.8!) USER MOD Single : A 97 TYR OH : rot 100:sc= 0.264 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot -153:sc= 1.13 USER MOD Single : A 113 THR OG1 : rot -2:sc= 1.05 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 79:sc= 1.24 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -118:sc= 0.233 (180deg=0.00205) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.138 8.012 14.688 1.00 0.00 N ATOM 2 CA ALA A 1 2.491 8.225 13.402 1.00 0.00 C ATOM 3 C ALA A 1 2.261 6.902 12.712 1.00 0.00 C ATOM 4 O ALA A 1 2.790 5.907 13.180 1.00 0.00 O ATOM 5 CB ALA A 1 3.406 9.125 12.536 1.00 0.00 C ATOM 0 H1 ALA A 1 2.467 8.225 15.454 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.445 7.021 14.762 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.965 8.638 14.769 1.00 0.00 H new ATOM 0 HA ALA A 1 1.525 8.708 13.547 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.937 9.296 11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.558 10.080 13.039 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.368 8.634 12.392 1.00 0.00 H new ATOM 11 N PHE A 2 1.479 6.883 11.607 1.00 0.00 N ATOM 12 CA PHE A 2 1.248 5.641 10.867 1.00 0.00 C ATOM 13 C PHE A 2 0.639 4.627 11.803 1.00 0.00 C ATOM 14 O PHE A 2 1.283 3.644 12.132 1.00 0.00 O ATOM 15 CB PHE A 2 2.550 5.111 10.211 1.00 0.00 C ATOM 16 CG PHE A 2 2.909 5.955 8.985 1.00 0.00 C ATOM 17 CD1 PHE A 2 2.331 5.653 7.746 1.00 0.00 C ATOM 18 CD2 PHE A 2 3.809 7.021 9.094 1.00 0.00 C ATOM 19 CE1 PHE A 2 2.689 6.380 6.609 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.156 7.762 7.961 1.00 0.00 C ATOM 21 CZ PHE A 2 3.607 7.426 6.722 1.00 0.00 C ATOM 0 H PHE A 2 1.010 7.702 11.222 1.00 0.00 H new ATOM 0 HA PHE A 2 0.556 5.834 10.047 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.367 5.140 10.932 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.420 4.069 9.918 1.00 0.00 H new ATOM 0 HD1 PHE A 2 1.606 4.856 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.236 7.271 10.054 1.00 0.00 H new ATOM 0 HE1 PHE A 2 2.259 6.135 5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.845 8.590 8.043 1.00 0.00 H new ATOM 0 HZ PHE A 2 3.895 7.981 5.842 1.00 0.00 H new ATOM 31 N THR A 3 -0.614 4.856 12.253 1.00 0.00 N ATOM 32 CA THR A 3 -1.214 3.949 13.225 1.00 0.00 C ATOM 33 C THR A 3 -2.720 4.089 13.148 1.00 0.00 C ATOM 34 O THR A 3 -3.202 5.173 13.440 1.00 0.00 O ATOM 35 CB THR A 3 -0.727 4.383 14.639 1.00 0.00 C ATOM 36 OG1 THR A 3 0.698 4.551 14.694 1.00 0.00 O ATOM 37 CG2 THR A 3 -1.192 3.388 15.734 1.00 0.00 C ATOM 0 H THR A 3 -1.204 5.637 11.964 1.00 0.00 H new ATOM 0 HA THR A 3 -0.932 2.915 13.026 1.00 0.00 H new ATOM 0 HB THR A 3 -1.185 5.352 14.836 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.960 4.825 15.598 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.833 3.724 16.707 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.281 3.342 15.745 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.789 2.398 15.521 1.00 0.00 H new ATOM 45 N GLY A 4 -3.488 3.044 12.764 1.00 0.00 N ATOM 46 CA GLY A 4 -4.942 3.182 12.744 1.00 0.00 C ATOM 47 C GLY A 4 -5.590 2.181 11.824 1.00 0.00 C ATOM 48 O GLY A 4 -4.887 1.327 11.308 1.00 0.00 O ATOM 0 H GLY A 4 -3.132 2.133 12.476 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.333 3.053 13.753 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.206 4.191 12.427 1.00 0.00 H new ATOM 52 N LYS A 5 -6.924 2.294 11.614 1.00 0.00 N ATOM 53 CA LYS A 5 -7.616 1.455 10.637 1.00 0.00 C ATOM 54 C LYS A 5 -8.037 2.353 9.504 1.00 0.00 C ATOM 55 O LYS A 5 -8.386 3.489 9.782 1.00 0.00 O ATOM 56 CB LYS A 5 -8.811 0.709 11.282 1.00 0.00 C ATOM 57 CG LYS A 5 -9.609 -0.158 10.265 1.00 0.00 C ATOM 58 CD LYS A 5 -10.536 -1.169 10.999 1.00 0.00 C ATOM 59 CE LYS A 5 -11.113 -2.270 10.064 1.00 0.00 C ATOM 60 NZ LYS A 5 -12.050 -1.750 9.044 1.00 0.00 N ATOM 0 H LYS A 5 -7.526 2.953 12.107 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.959 0.672 10.259 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.443 0.070 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -9.483 1.437 11.737 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.207 0.488 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.916 -0.697 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.977 -1.644 11.805 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -11.361 -0.626 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.289 -2.778 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.626 -3.017 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.395 -2.536 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.855 -1.290 9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.559 -1.058 8.442 1.00 0.00 H new ATOM 74 N PHE A 6 -7.988 1.874 8.239 1.00 0.00 N ATOM 75 CA PHE A 6 -8.256 2.748 7.104 1.00 0.00 C ATOM 76 C PHE A 6 -8.912 1.979 5.976 1.00 0.00 C ATOM 77 O PHE A 6 -8.915 0.762 6.054 1.00 0.00 O ATOM 78 CB PHE A 6 -6.902 3.303 6.577 1.00 0.00 C ATOM 79 CG PHE A 6 -5.959 3.933 7.616 1.00 0.00 C ATOM 80 CD1 PHE A 6 -5.129 3.120 8.396 1.00 0.00 C ATOM 81 CD2 PHE A 6 -5.874 5.323 7.768 1.00 0.00 C ATOM 82 CE1 PHE A 6 -4.195 3.686 9.270 1.00 0.00 C ATOM 83 CE2 PHE A 6 -4.929 5.893 8.626 1.00 0.00 C ATOM 84 CZ PHE A 6 -4.101 5.074 9.396 1.00 0.00 C ATOM 0 H PHE A 6 -7.769 0.908 7.995 1.00 0.00 H new ATOM 0 HA PHE A 6 -8.919 3.549 7.429 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.370 2.489 6.085 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.116 4.052 5.814 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.210 2.046 8.322 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.547 5.962 7.216 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -3.544 3.048 9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.839 6.967 8.693 1.00 0.00 H new ATOM 0 HZ PHE A 6 -3.393 5.511 10.084 1.00 0.00 H new ATOM 94 N GLU A 7 -9.444 2.644 4.920 1.00 0.00 N ATOM 95 CA GLU A 7 -9.960 1.907 3.760 1.00 0.00 C ATOM 96 C GLU A 7 -9.932 2.775 2.518 1.00 0.00 C ATOM 97 O GLU A 7 -10.131 3.971 2.652 1.00 0.00 O ATOM 98 CB GLU A 7 -11.350 1.258 4.008 1.00 0.00 C ATOM 99 CG GLU A 7 -12.431 2.221 4.571 1.00 0.00 C ATOM 100 CD GLU A 7 -13.044 3.163 3.562 1.00 0.00 C ATOM 101 OE1 GLU A 7 -12.511 4.284 3.359 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.096 2.797 2.972 1.00 0.00 O ATOM 0 H GLU A 7 -9.522 3.659 4.855 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.288 1.065 3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -11.712 0.839 3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.228 0.427 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.227 1.626 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.986 2.812 5.372 1.00 0.00 H new ATOM 109 N MET A 8 -9.663 2.201 1.318 1.00 0.00 N ATOM 110 CA MET A 8 -9.469 3.016 0.112 1.00 0.00 C ATOM 111 C MET A 8 -10.784 3.609 -0.316 1.00 0.00 C ATOM 112 O MET A 8 -11.449 3.039 -1.166 1.00 0.00 O ATOM 113 CB MET A 8 -8.790 2.198 -1.022 1.00 0.00 C ATOM 114 CG MET A 8 -7.297 1.979 -0.660 1.00 0.00 C ATOM 115 SD MET A 8 -6.630 0.545 -1.562 1.00 0.00 S ATOM 116 CE MET A 8 -6.014 -0.393 -0.134 1.00 0.00 C ATOM 0 H MET A 8 -9.578 1.195 1.170 1.00 0.00 H new ATOM 0 HA MET A 8 -8.789 3.836 0.342 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.292 1.239 -1.147 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.874 2.728 -1.971 1.00 0.00 H new ATOM 0 HG2 MET A 8 -6.722 2.871 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.196 1.821 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.560 -1.323 -0.478 1.00 0.00 H new ATOM 0 HE2 MET A 8 -5.269 0.200 0.397 1.00 0.00 H new ATOM 0 HE3 MET A 8 -6.842 -0.620 0.537 1.00 0.00 H new ATOM 126 N GLU A 9 -11.155 4.771 0.268 1.00 0.00 N ATOM 127 CA GLU A 9 -12.420 5.403 -0.097 1.00 0.00 C ATOM 128 C GLU A 9 -12.478 5.583 -1.597 1.00 0.00 C ATOM 129 O GLU A 9 -13.497 5.273 -2.194 1.00 0.00 O ATOM 130 CB GLU A 9 -12.612 6.789 0.581 1.00 0.00 C ATOM 131 CG GLU A 9 -13.906 7.490 0.083 1.00 0.00 C ATOM 132 CD GLU A 9 -14.109 8.824 0.751 1.00 0.00 C ATOM 133 OE1 GLU A 9 -13.238 9.718 0.567 1.00 0.00 O ATOM 134 OE2 GLU A 9 -15.137 8.995 1.462 1.00 0.00 O ATOM 0 H GLU A 9 -10.609 5.269 0.971 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.219 4.748 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.658 6.663 1.663 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.750 7.421 0.370 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.852 7.628 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.766 6.850 0.280 1.00 0.00 H new ATOM 141 N SER A 10 -11.387 6.100 -2.206 1.00 0.00 N ATOM 142 CA SER A 10 -11.399 6.429 -3.630 1.00 0.00 C ATOM 143 C SER A 10 -10.031 6.191 -4.227 1.00 0.00 C ATOM 144 O SER A 10 -9.074 6.123 -3.471 1.00 0.00 O ATOM 145 CB SER A 10 -11.826 7.915 -3.762 1.00 0.00 C ATOM 146 OG SER A 10 -11.832 8.390 -5.119 1.00 0.00 O ATOM 0 H SER A 10 -10.504 6.292 -1.733 1.00 0.00 H new ATOM 0 HA SER A 10 -12.101 5.797 -4.174 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.822 8.038 -3.338 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.150 8.533 -3.172 1.00 0.00 H new ATOM 0 HG SER A 10 -12.110 9.329 -5.136 1.00 0.00 H new ATOM 152 N GLU A 11 -9.939 6.055 -5.573 1.00 0.00 N ATOM 153 CA GLU A 11 -8.660 5.797 -6.230 1.00 0.00 C ATOM 154 C GLU A 11 -8.492 6.757 -7.386 1.00 0.00 C ATOM 155 O GLU A 11 -9.490 7.336 -7.784 1.00 0.00 O ATOM 156 CB GLU A 11 -8.668 4.349 -6.784 1.00 0.00 C ATOM 157 CG GLU A 11 -9.064 3.314 -5.699 1.00 0.00 C ATOM 158 CD GLU A 11 -8.951 1.896 -6.207 1.00 0.00 C ATOM 159 OE1 GLU A 11 -9.341 1.643 -7.379 1.00 0.00 O ATOM 160 OE2 GLU A 11 -8.478 1.016 -5.438 1.00 0.00 O ATOM 0 H GLU A 11 -10.734 6.121 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.845 5.927 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.366 4.284 -7.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.680 4.105 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.423 3.439 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.087 3.503 -5.373 1.00 0.00 H new ATOM 167 N LYS A 12 -7.260 6.928 -7.927 1.00 0.00 N ATOM 168 CA LYS A 12 -7.037 7.864 -9.033 1.00 0.00 C ATOM 169 C LYS A 12 -6.510 7.141 -10.259 1.00 0.00 C ATOM 170 O LYS A 12 -7.164 7.201 -11.289 1.00 0.00 O ATOM 171 CB LYS A 12 -6.060 8.991 -8.597 1.00 0.00 C ATOM 172 CG LYS A 12 -6.517 9.754 -7.319 1.00 0.00 C ATOM 173 CD LYS A 12 -7.882 10.494 -7.428 1.00 0.00 C ATOM 174 CE LYS A 12 -7.986 11.505 -8.606 1.00 0.00 C ATOM 175 NZ LYS A 12 -6.947 12.561 -8.571 1.00 0.00 N ATOM 0 H LYS A 12 -6.424 6.434 -7.614 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.993 8.316 -9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.076 8.558 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.952 9.703 -9.415 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.575 9.043 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.749 10.483 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.674 9.752 -7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.066 11.026 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.910 10.962 -9.548 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.970 11.973 -8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.074 13.200 -9.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.032 13.103 -7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.005 12.123 -8.619 1.00 0.00 H new ATOM 189 N ASN A 13 -5.338 6.462 -10.182 1.00 0.00 N ATOM 190 CA ASN A 13 -4.747 5.802 -11.350 1.00 0.00 C ATOM 191 C ASN A 13 -4.540 4.330 -11.045 1.00 0.00 C ATOM 192 O ASN A 13 -3.515 3.748 -11.364 1.00 0.00 O ATOM 193 CB ASN A 13 -3.452 6.572 -11.720 1.00 0.00 C ATOM 194 CG ASN A 13 -3.713 7.933 -12.321 1.00 0.00 C ATOM 195 OD1 ASN A 13 -4.846 8.388 -12.334 1.00 0.00 O ATOM 196 ND2 ASN A 13 -2.662 8.615 -12.828 1.00 0.00 N ATOM 0 H ASN A 13 -4.794 6.363 -9.325 1.00 0.00 H new ATOM 0 HA ASN A 13 -5.400 5.829 -12.223 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.840 6.689 -10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.873 5.976 -12.426 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.803 9.539 -13.237 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.728 8.206 -12.801 1.00 0.00 H new ATOM 203 N TYR A 14 -5.563 3.716 -10.414 1.00 0.00 N ATOM 204 CA TYR A 14 -5.496 2.310 -10.015 1.00 0.00 C ATOM 205 C TYR A 14 -5.476 1.361 -11.195 1.00 0.00 C ATOM 206 O TYR A 14 -4.675 0.440 -11.188 1.00 0.00 O ATOM 207 CB TYR A 14 -6.712 2.008 -9.087 1.00 0.00 C ATOM 208 CG TYR A 14 -7.081 0.527 -9.029 1.00 0.00 C ATOM 209 CD1 TYR A 14 -7.807 -0.024 -10.087 1.00 0.00 C ATOM 210 CD2 TYR A 14 -6.721 -0.277 -7.944 1.00 0.00 C ATOM 211 CE1 TYR A 14 -7.951 -1.405 -10.185 1.00 0.00 C ATOM 212 CE2 TYR A 14 -7.040 -1.636 -7.957 1.00 0.00 C ATOM 213 CZ TYR A 14 -7.577 -2.215 -9.108 1.00 0.00 C ATOM 214 OH TYR A 14 -7.737 -3.590 -9.165 1.00 0.00 O ATOM 0 H TYR A 14 -6.440 4.178 -10.174 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.556 2.147 -9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.486 2.358 -8.080 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.575 2.576 -9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.256 0.620 -10.828 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.199 0.150 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.349 -1.848 -11.086 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.871 -2.239 -7.077 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.628 -3.801 -9.515 1.00 0.00 H new ATOM 224 N ASP A 15 -6.361 1.525 -12.202 1.00 0.00 N ATOM 225 CA ASP A 15 -6.487 0.484 -13.224 1.00 0.00 C ATOM 226 C ASP A 15 -5.195 0.308 -13.984 1.00 0.00 C ATOM 227 O ASP A 15 -4.587 -0.746 -13.880 1.00 0.00 O ATOM 228 CB ASP A 15 -7.655 0.735 -14.217 1.00 0.00 C ATOM 229 CG ASP A 15 -8.976 0.442 -13.554 1.00 0.00 C ATOM 230 OD1 ASP A 15 -9.358 -0.759 -13.513 1.00 0.00 O ATOM 231 OD2 ASP A 15 -9.638 1.400 -13.069 1.00 0.00 O ATOM 0 H ASP A 15 -6.971 2.334 -12.322 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.718 -0.434 -12.684 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.634 1.769 -14.560 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.535 0.104 -15.098 1.00 0.00 H new ATOM 236 N GLU A 16 -4.762 1.323 -14.760 1.00 0.00 N ATOM 237 CA GLU A 16 -3.557 1.155 -15.567 1.00 0.00 C ATOM 238 C GLU A 16 -2.423 0.668 -14.692 1.00 0.00 C ATOM 239 O GLU A 16 -1.666 -0.181 -15.132 1.00 0.00 O ATOM 240 CB GLU A 16 -3.140 2.471 -16.280 1.00 0.00 C ATOM 241 CG GLU A 16 -4.192 2.960 -17.311 1.00 0.00 C ATOM 242 CD GLU A 16 -3.606 4.066 -18.151 1.00 0.00 C ATOM 243 OE1 GLU A 16 -3.375 5.174 -17.594 1.00 0.00 O ATOM 244 OE2 GLU A 16 -3.368 3.840 -19.369 1.00 0.00 O ATOM 0 H GLU A 16 -5.216 2.233 -14.838 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.778 0.419 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.983 3.249 -15.533 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.187 2.318 -16.786 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.503 2.132 -17.948 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.083 3.316 -16.794 1.00 0.00 H new ATOM 251 N PHE A 17 -2.273 1.164 -13.444 1.00 0.00 N ATOM 252 CA PHE A 17 -1.186 0.659 -12.606 1.00 0.00 C ATOM 253 C PHE A 17 -1.215 -0.846 -12.514 1.00 0.00 C ATOM 254 O PHE A 17 -0.185 -1.467 -12.712 1.00 0.00 O ATOM 255 CB PHE A 17 -1.274 1.214 -11.168 1.00 0.00 C ATOM 256 CG PHE A 17 -0.042 0.816 -10.347 1.00 0.00 C ATOM 257 CD1 PHE A 17 1.164 1.462 -10.632 1.00 0.00 C ATOM 258 CD2 PHE A 17 -0.112 -0.129 -9.318 1.00 0.00 C ATOM 259 CE1 PHE A 17 2.304 1.161 -9.891 1.00 0.00 C ATOM 260 CE2 PHE A 17 1.022 -0.386 -8.543 1.00 0.00 C ATOM 261 CZ PHE A 17 2.244 0.194 -8.888 1.00 0.00 C ATOM 0 H PHE A 17 -2.864 1.878 -13.018 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.261 0.990 -13.079 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.359 2.300 -11.199 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.175 0.837 -10.684 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.212 2.193 -11.425 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.035 -0.656 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.232 1.675 -10.093 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.953 -1.031 -7.680 1.00 0.00 H new ATOM 0 HZ PHE A 17 3.146 -0.107 -8.376 1.00 0.00 H new ATOM 271 N MET A 18 -2.387 -1.450 -12.225 1.00 0.00 N ATOM 272 CA MET A 18 -2.467 -2.908 -12.175 1.00 0.00 C ATOM 273 C MET A 18 -2.091 -3.456 -13.534 1.00 0.00 C ATOM 274 O MET A 18 -1.382 -4.447 -13.606 1.00 0.00 O ATOM 275 CB MET A 18 -3.905 -3.405 -11.855 1.00 0.00 C ATOM 276 CG MET A 18 -4.193 -3.564 -10.342 1.00 0.00 C ATOM 277 SD MET A 18 -4.042 -2.000 -9.431 1.00 0.00 S ATOM 278 CE MET A 18 -4.049 -2.729 -7.762 1.00 0.00 C ATOM 0 H MET A 18 -3.261 -0.961 -12.030 1.00 0.00 H new ATOM 0 HA MET A 18 -1.794 -3.250 -11.388 1.00 0.00 H new ATOM 0 HB2 MET A 18 -4.624 -2.704 -12.280 1.00 0.00 H new ATOM 0 HB3 MET A 18 -4.065 -4.364 -12.348 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.199 -3.962 -10.208 1.00 0.00 H new ATOM 0 HG3 MET A 18 -3.502 -4.294 -9.920 1.00 0.00 H new ATOM 0 HE1 MET A 18 -4.232 -1.948 -7.024 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.835 -3.481 -7.697 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.084 -3.195 -7.565 1.00 0.00 H new ATOM 288 N LYS A 19 -2.585 -2.821 -14.619 1.00 0.00 N ATOM 289 CA LYS A 19 -2.339 -3.343 -15.961 1.00 0.00 C ATOM 290 C LYS A 19 -0.851 -3.441 -16.221 1.00 0.00 C ATOM 291 O LYS A 19 -0.432 -4.430 -16.801 1.00 0.00 O ATOM 292 CB LYS A 19 -3.036 -2.471 -17.046 1.00 0.00 C ATOM 293 CG LYS A 19 -4.593 -2.442 -16.950 1.00 0.00 C ATOM 294 CD LYS A 19 -5.269 -3.773 -17.389 1.00 0.00 C ATOM 295 CE LYS A 19 -6.817 -3.687 -17.281 1.00 0.00 C ATOM 296 NZ LYS A 19 -7.470 -4.932 -17.750 1.00 0.00 N ATOM 0 H LYS A 19 -3.142 -1.967 -14.585 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.769 -4.343 -16.020 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.661 -1.450 -16.970 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.752 -2.843 -18.031 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.881 -2.219 -15.923 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.972 -1.630 -17.570 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.987 -4.004 -18.416 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.904 -4.590 -16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.099 -3.496 -16.246 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.176 -2.843 -17.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.502 -4.837 -17.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.221 -5.101 -18.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.146 -5.733 -17.171 1.00 0.00 H new ATOM 310 N LEU A 20 -0.034 -2.447 -15.801 1.00 0.00 N ATOM 311 CA LEU A 20 1.410 -2.545 -16.040 1.00 0.00 C ATOM 312 C LEU A 20 2.018 -3.441 -14.984 1.00 0.00 C ATOM 313 O LEU A 20 2.744 -4.359 -15.333 1.00 0.00 O ATOM 314 CB LEU A 20 2.149 -1.177 -16.028 1.00 0.00 C ATOM 315 CG LEU A 20 1.957 -0.356 -17.338 1.00 0.00 C ATOM 316 CD1 LEU A 20 0.476 0.059 -17.558 1.00 0.00 C ATOM 317 CD2 LEU A 20 2.874 0.897 -17.300 1.00 0.00 C ATOM 0 H LEU A 20 -0.340 -1.604 -15.315 1.00 0.00 H new ATOM 0 HA LEU A 20 1.534 -2.954 -17.043 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.792 -0.588 -15.183 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.214 -1.349 -15.869 1.00 0.00 H new ATOM 0 HG LEU A 20 2.235 -0.991 -18.179 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.391 0.629 -18.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.146 -0.834 -17.624 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.142 0.673 -16.722 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.741 1.473 -18.216 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.611 1.515 -16.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.915 0.584 -17.216 1.00 0.00 H new ATOM 329 N LEU A 21 1.725 -3.174 -13.690 1.00 0.00 N ATOM 330 CA LEU A 21 2.257 -3.991 -12.596 1.00 0.00 C ATOM 331 C LEU A 21 2.190 -5.458 -12.967 1.00 0.00 C ATOM 332 O LEU A 21 3.142 -6.177 -12.708 1.00 0.00 O ATOM 333 CB LEU A 21 1.458 -3.704 -11.291 1.00 0.00 C ATOM 334 CG LEU A 21 2.068 -4.283 -9.983 1.00 0.00 C ATOM 335 CD1 LEU A 21 3.352 -3.509 -9.572 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.031 -4.157 -8.832 1.00 0.00 C ATOM 0 H LEU A 21 1.128 -2.404 -13.389 1.00 0.00 H new ATOM 0 HA LEU A 21 3.302 -3.734 -12.422 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.360 -2.624 -11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.451 -4.105 -11.408 1.00 0.00 H new ATOM 0 HG LEU A 21 2.324 -5.327 -10.163 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.756 -3.936 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.094 -3.588 -10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.107 -2.460 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.456 -4.562 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.779 -3.107 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.130 -4.713 -9.091 1.00 0.00 H new ATOM 348 N GLY A 22 1.078 -5.891 -13.608 1.00 0.00 N ATOM 349 CA GLY A 22 0.992 -7.241 -14.164 1.00 0.00 C ATOM 350 C GLY A 22 0.087 -8.088 -13.306 1.00 0.00 C ATOM 351 O GLY A 22 0.569 -9.029 -12.696 1.00 0.00 O ATOM 0 H GLY A 22 0.242 -5.323 -13.746 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.609 -7.201 -15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.985 -7.688 -14.214 1.00 0.00 H new ATOM 355 N ILE A 23 -1.223 -7.749 -13.255 1.00 0.00 N ATOM 356 CA ILE A 23 -2.167 -8.441 -12.376 1.00 0.00 C ATOM 357 C ILE A 23 -3.281 -9.021 -13.221 1.00 0.00 C ATOM 358 O ILE A 23 -3.440 -8.573 -14.345 1.00 0.00 O ATOM 359 CB ILE A 23 -2.650 -7.398 -11.329 1.00 0.00 C ATOM 360 CG1 ILE A 23 -1.468 -6.761 -10.537 1.00 0.00 C ATOM 361 CG2 ILE A 23 -3.741 -7.961 -10.386 1.00 0.00 C ATOM 362 CD1 ILE A 23 -0.628 -7.739 -9.672 1.00 0.00 C ATOM 0 H ILE A 23 -1.639 -7.003 -13.813 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.724 -9.280 -11.840 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.117 -6.595 -11.899 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.802 -6.271 -11.247 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.869 -5.983 -9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.041 -7.190 -9.676 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.606 -8.270 -10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.345 -8.820 -9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.165 -7.188 -9.167 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.271 -8.212 -8.930 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.188 -8.504 -10.311 1.00 0.00 H new ATOM 374 N SER A 24 -4.041 -10.032 -12.728 1.00 0.00 N ATOM 375 CA SER A 24 -4.999 -10.720 -13.597 1.00 0.00 C ATOM 376 C SER A 24 -6.317 -9.989 -13.698 1.00 0.00 C ATOM 377 O SER A 24 -6.848 -9.631 -12.660 1.00 0.00 O ATOM 378 CB SER A 24 -5.294 -12.168 -13.123 1.00 0.00 C ATOM 379 OG SER A 24 -6.270 -12.805 -13.966 1.00 0.00 O ATOM 0 H SER A 24 -4.005 -10.372 -11.767 1.00 0.00 H new ATOM 0 HA SER A 24 -4.518 -10.744 -14.575 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.372 -12.749 -13.127 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.655 -12.150 -12.095 1.00 0.00 H new ATOM 0 HG SER A 24 -6.435 -13.716 -13.645 1.00 0.00 H new ATOM 385 N SER A 25 -6.871 -9.777 -14.917 1.00 0.00 N ATOM 386 CA SER A 25 -8.117 -9.020 -15.050 1.00 0.00 C ATOM 387 C SER A 25 -9.178 -9.469 -14.072 1.00 0.00 C ATOM 388 O SER A 25 -9.918 -8.626 -13.590 1.00 0.00 O ATOM 389 CB SER A 25 -8.677 -9.087 -16.497 1.00 0.00 C ATOM 390 OG SER A 25 -8.895 -10.440 -16.928 1.00 0.00 O ATOM 0 H SER A 25 -6.478 -10.114 -15.796 1.00 0.00 H new ATOM 0 HA SER A 25 -7.862 -7.986 -14.816 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.615 -8.535 -16.548 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.981 -8.597 -17.178 1.00 0.00 H new ATOM 0 HG SER A 25 -9.249 -10.439 -17.842 1.00 0.00 H new ATOM 396 N ASP A 26 -9.273 -10.781 -13.758 1.00 0.00 N ATOM 397 CA ASP A 26 -10.303 -11.224 -12.822 1.00 0.00 C ATOM 398 C ASP A 26 -10.136 -10.491 -11.513 1.00 0.00 C ATOM 399 O ASP A 26 -11.101 -9.925 -11.022 1.00 0.00 O ATOM 400 CB ASP A 26 -10.227 -12.750 -12.547 1.00 0.00 C ATOM 401 CG ASP A 26 -11.209 -13.147 -11.472 1.00 0.00 C ATOM 402 OD1 ASP A 26 -12.435 -12.938 -11.682 1.00 0.00 O ATOM 403 OD2 ASP A 26 -10.767 -13.665 -10.411 1.00 0.00 O ATOM 0 H ASP A 26 -8.671 -11.517 -14.127 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.271 -11.007 -13.274 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.440 -13.301 -13.463 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.216 -13.020 -12.241 1.00 0.00 H new ATOM 408 N VAL A 27 -8.913 -10.504 -10.936 1.00 0.00 N ATOM 409 CA VAL A 27 -8.719 -9.884 -9.631 1.00 0.00 C ATOM 410 C VAL A 27 -8.627 -8.382 -9.763 1.00 0.00 C ATOM 411 O VAL A 27 -8.958 -7.711 -8.800 1.00 0.00 O ATOM 412 CB VAL A 27 -7.522 -10.474 -8.829 1.00 0.00 C ATOM 413 CG1 VAL A 27 -7.611 -12.023 -8.738 1.00 0.00 C ATOM 414 CG2 VAL A 27 -6.145 -10.014 -9.363 1.00 0.00 C ATOM 0 H VAL A 27 -8.079 -10.925 -11.346 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.602 -10.125 -9.039 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.603 -10.071 -7.820 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.761 -12.404 -8.172 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.537 -12.305 -8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.598 -12.448 -9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.354 -10.460 -8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.033 -10.329 -10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.077 -8.928 -9.305 1.00 0.00 H new ATOM 424 N ILE A 28 -8.197 -7.819 -10.917 1.00 0.00 N ATOM 425 CA ILE A 28 -8.189 -6.364 -11.043 1.00 0.00 C ATOM 426 C ILE A 28 -9.612 -5.902 -10.836 1.00 0.00 C ATOM 427 O ILE A 28 -9.842 -5.054 -9.989 1.00 0.00 O ATOM 428 CB ILE A 28 -7.683 -5.829 -12.422 1.00 0.00 C ATOM 429 CG1 ILE A 28 -6.210 -6.270 -12.666 1.00 0.00 C ATOM 430 CG2 ILE A 28 -7.817 -4.279 -12.499 1.00 0.00 C ATOM 431 CD1 ILE A 28 -5.618 -5.828 -14.029 1.00 0.00 C ATOM 0 H ILE A 28 -7.867 -8.333 -11.734 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.489 -5.974 -10.304 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.306 -6.258 -13.207 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.587 -5.867 -11.867 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.154 -7.356 -12.596 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.459 -3.930 -13.468 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.863 -3.998 -12.376 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.223 -3.823 -11.707 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.589 -6.180 -14.110 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.212 -6.253 -14.838 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.636 -4.740 -14.098 1.00 0.00 H new ATOM 443 N GLU A 29 -10.586 -6.435 -11.605 1.00 0.00 N ATOM 444 CA GLU A 29 -11.949 -5.922 -11.490 1.00 0.00 C ATOM 445 C GLU A 29 -12.446 -6.061 -10.070 1.00 0.00 C ATOM 446 O GLU A 29 -13.183 -5.191 -9.631 1.00 0.00 O ATOM 447 CB GLU A 29 -12.939 -6.632 -12.453 1.00 0.00 C ATOM 448 CG GLU A 29 -12.643 -6.326 -13.948 1.00 0.00 C ATOM 449 CD GLU A 29 -12.706 -4.845 -14.224 1.00 0.00 C ATOM 450 OE1 GLU A 29 -13.838 -4.288 -14.227 1.00 0.00 O ATOM 451 OE2 GLU A 29 -11.628 -4.223 -14.435 1.00 0.00 O ATOM 0 H GLU A 29 -10.455 -7.187 -12.281 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.910 -4.870 -11.772 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.890 -7.709 -12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.956 -6.320 -12.217 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.656 -6.706 -14.211 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -13.364 -6.847 -14.578 1.00 0.00 H new ATOM 458 N LYS A 30 -12.058 -7.125 -9.327 1.00 0.00 N ATOM 459 CA LYS A 30 -12.501 -7.219 -7.938 1.00 0.00 C ATOM 460 C LYS A 30 -11.753 -6.151 -7.185 1.00 0.00 C ATOM 461 O LYS A 30 -12.380 -5.198 -6.761 1.00 0.00 O ATOM 462 CB LYS A 30 -12.316 -8.622 -7.294 1.00 0.00 C ATOM 463 CG LYS A 30 -13.342 -9.629 -7.879 1.00 0.00 C ATOM 464 CD LYS A 30 -13.179 -11.084 -7.355 1.00 0.00 C ATOM 465 CE LYS A 30 -11.854 -11.762 -7.804 1.00 0.00 C ATOM 466 NZ LYS A 30 -11.858 -13.215 -7.514 1.00 0.00 N ATOM 0 H LYS A 30 -11.468 -7.890 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.580 -7.068 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.303 -8.980 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.442 -8.552 -6.214 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.348 -9.282 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.250 -9.634 -8.965 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.223 -11.076 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.020 -11.683 -7.703 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.708 -11.604 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.013 -11.291 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.224 -13.411 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.823 -13.518 -7.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.529 -13.737 -8.351 1.00 0.00 H new ATOM 480 N ALA A 31 -10.418 -6.254 -7.023 1.00 0.00 N ATOM 481 CA ALA A 31 -9.682 -5.240 -6.268 1.00 0.00 C ATOM 482 C ALA A 31 -10.126 -3.828 -6.591 1.00 0.00 C ATOM 483 O ALA A 31 -10.043 -2.985 -5.711 1.00 0.00 O ATOM 484 CB ALA A 31 -8.163 -5.386 -6.536 1.00 0.00 C ATOM 0 H ALA A 31 -9.846 -7.011 -7.397 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.897 -5.409 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.619 -4.628 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.832 -6.377 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.967 -5.255 -7.600 1.00 0.00 H new ATOM 490 N ARG A 32 -10.613 -3.540 -7.821 1.00 0.00 N ATOM 491 CA ARG A 32 -11.121 -2.202 -8.106 1.00 0.00 C ATOM 492 C ARG A 32 -12.413 -1.983 -7.348 1.00 0.00 C ATOM 493 O ARG A 32 -12.470 -1.081 -6.527 1.00 0.00 O ATOM 494 CB ARG A 32 -11.379 -1.960 -9.621 1.00 0.00 C ATOM 495 CG ARG A 32 -11.705 -0.469 -9.915 1.00 0.00 C ATOM 496 CD ARG A 32 -12.225 -0.277 -11.366 1.00 0.00 C ATOM 497 NE ARG A 32 -13.478 -1.014 -11.565 1.00 0.00 N ATOM 498 CZ ARG A 32 -14.657 -0.612 -11.131 1.00 0.00 C ATOM 499 NH1 ARG A 32 -14.850 0.517 -10.486 1.00 0.00 N ATOM 500 NH2 ARG A 32 -15.701 -1.379 -11.353 1.00 0.00 N ATOM 0 H ARG A 32 -10.660 -4.198 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.353 -1.497 -7.788 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.501 -2.261 -10.193 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.206 -2.586 -9.954 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.455 -0.113 -9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.811 0.137 -9.764 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.384 0.783 -11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.475 -0.625 -12.076 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.434 -1.897 -12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.063 1.137 -10.296 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.787 0.773 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -15.588 -2.262 -11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -16.624 -1.091 -11.028 1.00 0.00 H new ATOM 514 N ASN A 33 -13.467 -2.787 -7.624 1.00 0.00 N ATOM 515 CA ASN A 33 -14.766 -2.539 -7.002 1.00 0.00 C ATOM 516 C ASN A 33 -14.706 -3.018 -5.573 1.00 0.00 C ATOM 517 O ASN A 33 -15.068 -2.270 -4.678 1.00 0.00 O ATOM 518 CB ASN A 33 -15.910 -3.240 -7.783 1.00 0.00 C ATOM 519 CG ASN A 33 -17.249 -2.917 -7.163 1.00 0.00 C ATOM 520 OD1 ASN A 33 -17.930 -2.033 -7.658 1.00 0.00 O ATOM 521 ND2 ASN A 33 -17.652 -3.609 -6.074 1.00 0.00 N ATOM 0 H ASN A 33 -13.436 -3.587 -8.256 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.984 -1.471 -7.023 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.898 -2.918 -8.824 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.752 -4.319 -7.781 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -18.551 -3.399 -5.640 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.057 -4.342 -5.686 1.00 0.00 H new ATOM 528 N PHE A 34 -14.235 -4.267 -5.350 1.00 0.00 N ATOM 529 CA PHE A 34 -14.052 -4.756 -3.990 1.00 0.00 C ATOM 530 C PHE A 34 -13.188 -3.745 -3.282 1.00 0.00 C ATOM 531 O PHE A 34 -12.042 -3.595 -3.677 1.00 0.00 O ATOM 532 CB PHE A 34 -13.333 -6.129 -3.913 1.00 0.00 C ATOM 533 CG PHE A 34 -13.057 -6.453 -2.439 1.00 0.00 C ATOM 534 CD1 PHE A 34 -14.110 -6.904 -1.635 1.00 0.00 C ATOM 535 CD2 PHE A 34 -11.785 -6.301 -1.882 1.00 0.00 C ATOM 536 CE1 PHE A 34 -13.909 -7.158 -0.276 1.00 0.00 C ATOM 537 CE2 PHE A 34 -11.592 -6.522 -0.516 1.00 0.00 C ATOM 538 CZ PHE A 34 -12.648 -6.955 0.289 1.00 0.00 C ATOM 0 H PHE A 34 -13.984 -4.930 -6.083 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.037 -4.888 -3.542 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.952 -6.906 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.400 -6.100 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.087 -7.057 -2.069 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.952 -6.013 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -14.726 -7.510 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.618 -6.357 -0.079 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.490 -7.132 1.343 1.00 0.00 H new ATOM 548 N LYS A 35 -13.710 -3.037 -2.255 1.00 0.00 N ATOM 549 CA LYS A 35 -12.886 -2.030 -1.599 1.00 0.00 C ATOM 550 C LYS A 35 -11.929 -2.773 -0.700 1.00 0.00 C ATOM 551 O LYS A 35 -12.369 -3.718 -0.065 1.00 0.00 O ATOM 552 CB LYS A 35 -13.744 -1.010 -0.805 1.00 0.00 C ATOM 553 CG LYS A 35 -12.934 0.270 -0.458 1.00 0.00 C ATOM 554 CD LYS A 35 -13.749 1.337 0.326 1.00 0.00 C ATOM 555 CE LYS A 35 -14.649 2.282 -0.529 1.00 0.00 C ATOM 556 NZ LYS A 35 -15.766 1.650 -1.268 1.00 0.00 N ATOM 0 H LYS A 35 -14.654 -3.144 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.343 -1.440 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.622 -0.738 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.104 -1.474 0.113 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.062 -0.012 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.564 0.716 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.382 0.822 1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.051 1.951 0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.065 3.043 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.013 2.797 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.432 2.383 -1.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.392 1.142 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.260 0.980 -0.644 1.00 0.00 H new ATOM 570 N ILE A 36 -10.638 -2.374 -0.646 1.00 0.00 N ATOM 571 CA ILE A 36 -9.659 -3.097 0.165 1.00 0.00 C ATOM 572 C ILE A 36 -9.457 -2.315 1.442 1.00 0.00 C ATOM 573 O ILE A 36 -9.571 -1.100 1.400 1.00 0.00 O ATOM 574 CB ILE A 36 -8.356 -3.325 -0.660 1.00 0.00 C ATOM 575 CG1 ILE A 36 -8.635 -4.290 -1.850 1.00 0.00 C ATOM 576 CG2 ILE A 36 -7.187 -3.824 0.236 1.00 0.00 C ATOM 577 CD1 ILE A 36 -7.453 -4.447 -2.842 1.00 0.00 C ATOM 0 H ILE A 36 -10.264 -1.569 -1.148 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.004 -4.094 0.440 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.038 -2.367 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.892 -5.272 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.506 -3.930 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.297 -3.971 -0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.978 -3.083 1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.465 -4.768 0.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.735 -5.136 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.208 -3.476 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.584 -4.839 -2.314 1.00 0.00 H new ATOM 589 N VAL A 37 -9.173 -3.004 2.576 1.00 0.00 N ATOM 590 CA VAL A 37 -9.016 -2.325 3.861 1.00 0.00 C ATOM 591 C VAL A 37 -7.548 -2.267 4.174 1.00 0.00 C ATOM 592 O VAL A 37 -6.802 -3.091 3.668 1.00 0.00 O ATOM 593 CB VAL A 37 -9.800 -3.081 4.971 1.00 0.00 C ATOM 594 CG1 VAL A 37 -9.568 -2.550 6.413 1.00 0.00 C ATOM 595 CG2 VAL A 37 -11.309 -2.995 4.642 1.00 0.00 C ATOM 0 H VAL A 37 -9.052 -4.016 2.614 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.421 -1.314 3.813 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.427 -4.105 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.156 -3.139 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.511 -2.632 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.874 -1.505 6.470 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.879 -3.520 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.616 -1.950 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.497 -3.455 3.672 1.00 0.00 H new ATOM 605 N THR A 38 -7.139 -1.291 5.013 1.00 0.00 N ATOM 606 CA THR A 38 -5.743 -1.168 5.400 1.00 0.00 C ATOM 607 C THR A 38 -5.682 -0.907 6.883 1.00 0.00 C ATOM 608 O THR A 38 -6.398 -0.029 7.330 1.00 0.00 O ATOM 609 CB THR A 38 -5.003 -0.087 4.575 1.00 0.00 C ATOM 610 OG1 THR A 38 -4.764 -0.565 3.238 1.00 0.00 O ATOM 611 CG2 THR A 38 -3.638 0.251 5.226 1.00 0.00 C ATOM 0 H THR A 38 -7.757 -0.591 5.424 1.00 0.00 H new ATOM 0 HA THR A 38 -5.220 -2.099 5.181 1.00 0.00 H new ATOM 0 HB THR A 38 -5.628 0.805 4.548 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.297 0.125 2.722 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.131 1.012 4.633 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.800 0.626 6.237 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.022 -0.647 5.266 1.00 0.00 H new ATOM 619 N GLU A 39 -4.844 -1.647 7.643 1.00 0.00 N ATOM 620 CA GLU A 39 -4.661 -1.389 9.068 1.00 0.00 C ATOM 621 C GLU A 39 -3.184 -1.179 9.293 1.00 0.00 C ATOM 622 O GLU A 39 -2.417 -1.787 8.564 1.00 0.00 O ATOM 623 CB GLU A 39 -5.128 -2.617 9.894 1.00 0.00 C ATOM 624 CG GLU A 39 -6.671 -2.763 9.878 1.00 0.00 C ATOM 625 CD GLU A 39 -7.126 -4.082 10.451 1.00 0.00 C ATOM 626 OE1 GLU A 39 -6.497 -4.558 11.434 1.00 0.00 O ATOM 627 OE2 GLU A 39 -8.117 -4.655 9.921 1.00 0.00 O ATOM 0 H GLU A 39 -4.290 -2.424 7.283 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.241 -0.519 9.377 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.672 -3.522 9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.782 -2.517 10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.117 -1.948 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.032 -2.670 8.854 1.00 0.00 H new ATOM 634 N VAL A 40 -2.763 -0.341 10.271 1.00 0.00 N ATOM 635 CA VAL A 40 -1.333 -0.145 10.505 1.00 0.00 C ATOM 636 C VAL A 40 -1.066 -0.034 11.987 1.00 0.00 C ATOM 637 O VAL A 40 -1.876 0.584 12.659 1.00 0.00 O ATOM 638 CB VAL A 40 -0.811 1.146 9.808 1.00 0.00 C ATOM 639 CG1 VAL A 40 0.736 1.243 9.885 1.00 0.00 C ATOM 640 CG2 VAL A 40 -1.250 1.194 8.323 1.00 0.00 C ATOM 0 H VAL A 40 -3.379 0.190 10.887 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.811 -1.006 10.086 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.246 1.993 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.068 2.155 9.389 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.048 1.263 10.929 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.180 0.379 9.390 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.872 2.106 7.861 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.849 0.328 7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.338 1.182 8.265 1.00 0.00 H new ATOM 650 N GLN A 41 0.055 -0.599 12.500 1.00 0.00 N ATOM 651 CA GLN A 41 0.450 -0.352 13.886 1.00 0.00 C ATOM 652 C GLN A 41 1.957 -0.168 13.891 1.00 0.00 C ATOM 653 O GLN A 41 2.690 -1.102 14.174 1.00 0.00 O ATOM 654 CB GLN A 41 -0.099 -1.418 14.875 1.00 0.00 C ATOM 655 CG GLN A 41 -1.646 -1.365 15.001 1.00 0.00 C ATOM 656 CD GLN A 41 -2.124 -2.352 16.040 1.00 0.00 C ATOM 657 OE1 GLN A 41 -2.510 -1.936 17.122 1.00 0.00 O ATOM 658 NE2 GLN A 41 -2.105 -3.671 15.743 1.00 0.00 N ATOM 0 H GLN A 41 0.681 -1.213 11.979 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.009 0.559 14.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.202 -2.410 14.540 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.349 -1.264 15.857 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.961 -0.358 15.275 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.104 -1.591 14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.776 -3.983 14.829 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -2.419 -4.354 16.433 1.00 0.00 H new ATOM 667 N GLN A 42 2.424 1.055 13.550 1.00 0.00 N ATOM 668 CA GLN A 42 3.859 1.347 13.504 1.00 0.00 C ATOM 669 C GLN A 42 4.455 1.180 14.885 1.00 0.00 C ATOM 670 O GLN A 42 3.748 1.456 15.841 1.00 0.00 O ATOM 671 CB GLN A 42 4.078 2.770 12.917 1.00 0.00 C ATOM 672 CG GLN A 42 5.544 3.271 12.876 1.00 0.00 C ATOM 673 CD GLN A 42 6.014 3.827 14.197 1.00 0.00 C ATOM 674 OE1 GLN A 42 6.907 3.249 14.792 1.00 0.00 O ATOM 675 NE2 GLN A 42 5.445 4.955 14.679 1.00 0.00 N ATOM 0 H GLN A 42 1.826 1.844 13.306 1.00 0.00 H new ATOM 0 HA GLN A 42 4.374 0.645 12.848 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.681 2.788 11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.490 3.477 13.502 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.195 2.448 12.582 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.638 4.041 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.700 5.414 14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.761 5.347 15.566 1.00 0.00 H new ATOM 684 N ASP A 43 5.726 0.716 15.005 1.00 0.00 N ATOM 685 CA ASP A 43 6.312 0.405 16.312 1.00 0.00 C ATOM 686 C ASP A 43 7.441 1.358 16.647 1.00 0.00 C ATOM 687 O ASP A 43 7.332 2.066 17.636 1.00 0.00 O ATOM 688 CB ASP A 43 6.795 -1.070 16.320 1.00 0.00 C ATOM 689 CG ASP A 43 7.459 -1.393 17.633 1.00 0.00 C ATOM 690 OD1 ASP A 43 8.702 -1.201 17.736 1.00 0.00 O ATOM 691 OD2 ASP A 43 6.745 -1.836 18.573 1.00 0.00 O ATOM 0 H ASP A 43 6.350 0.554 14.214 1.00 0.00 H new ATOM 0 HA ASP A 43 5.552 0.531 17.083 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.949 -1.738 16.158 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.494 -1.236 15.500 1.00 0.00 H new ATOM 696 N GLY A 44 8.536 1.410 15.851 1.00 0.00 N ATOM 697 CA GLY A 44 9.620 2.343 16.159 1.00 0.00 C ATOM 698 C GLY A 44 10.810 2.092 15.266 1.00 0.00 C ATOM 699 O GLY A 44 11.818 1.594 15.742 1.00 0.00 O ATOM 0 H GLY A 44 8.681 0.834 15.021 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.272 3.368 16.030 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.914 2.235 17.203 1.00 0.00 H new ATOM 703 N GLN A 45 10.646 2.413 13.963 1.00 0.00 N ATOM 704 CA GLN A 45 11.606 2.057 12.914 1.00 0.00 C ATOM 705 C GLN A 45 11.070 0.783 12.310 1.00 0.00 C ATOM 706 O GLN A 45 10.926 0.720 11.100 1.00 0.00 O ATOM 707 CB GLN A 45 13.099 1.894 13.321 1.00 0.00 C ATOM 708 CG GLN A 45 14.035 1.916 12.081 1.00 0.00 C ATOM 709 CD GLN A 45 15.461 1.521 12.384 1.00 0.00 C ATOM 710 OE1 GLN A 45 15.815 1.369 13.542 1.00 0.00 O ATOM 711 NE2 GLN A 45 16.307 1.350 11.343 1.00 0.00 N ATOM 0 H GLN A 45 9.837 2.929 13.616 1.00 0.00 H new ATOM 0 HA GLN A 45 11.667 2.900 12.226 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.380 2.695 14.004 1.00 0.00 H new ATOM 0 HB3 GLN A 45 13.230 0.955 13.860 1.00 0.00 H new ATOM 0 HG2 GLN A 45 13.635 1.242 11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 45 14.029 2.918 11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 45 15.975 1.486 10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 45 17.277 1.085 11.513 1.00 0.00 H new ATOM 720 N ASP A 46 10.744 -0.234 13.141 1.00 0.00 N ATOM 721 CA ASP A 46 10.033 -1.398 12.624 1.00 0.00 C ATOM 722 C ASP A 46 8.578 -1.028 12.459 1.00 0.00 C ATOM 723 O ASP A 46 8.118 -0.151 13.174 1.00 0.00 O ATOM 724 CB ASP A 46 10.177 -2.638 13.536 1.00 0.00 C ATOM 725 CG ASP A 46 9.406 -3.803 12.968 1.00 0.00 C ATOM 726 OD1 ASP A 46 9.900 -4.420 11.986 1.00 0.00 O ATOM 727 OD2 ASP A 46 8.297 -4.104 13.490 1.00 0.00 O ATOM 0 H ASP A 46 10.959 -0.263 14.138 1.00 0.00 H new ATOM 0 HA ASP A 46 10.472 -1.674 11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.229 -2.904 13.635 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.812 -2.406 14.536 1.00 0.00 H new ATOM 732 N PHE A 47 7.854 -1.686 11.522 1.00 0.00 N ATOM 733 CA PHE A 47 6.428 -1.432 11.333 1.00 0.00 C ATOM 734 C PHE A 47 5.697 -2.748 11.375 1.00 0.00 C ATOM 735 O PHE A 47 6.337 -3.776 11.226 1.00 0.00 O ATOM 736 CB PHE A 47 6.115 -0.784 9.958 1.00 0.00 C ATOM 737 CG PHE A 47 6.319 0.738 9.966 1.00 0.00 C ATOM 738 CD1 PHE A 47 7.573 1.297 10.235 1.00 0.00 C ATOM 739 CD2 PHE A 47 5.242 1.587 9.682 1.00 0.00 C ATOM 740 CE1 PHE A 47 7.744 2.685 10.225 1.00 0.00 C ATOM 741 CE2 PHE A 47 5.456 2.951 9.487 1.00 0.00 C ATOM 742 CZ PHE A 47 6.697 3.503 9.794 1.00 0.00 C ATOM 0 H PHE A 47 8.242 -2.390 10.895 1.00 0.00 H new ATOM 0 HA PHE A 47 6.115 -0.749 12.123 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.755 -1.229 9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.085 -1.008 9.680 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.413 0.654 10.451 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.242 1.184 9.614 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.678 3.121 10.548 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.664 3.575 9.100 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.851 4.568 9.698 1.00 0.00 H new ATOM 752 N THR A 48 4.356 -2.709 11.563 1.00 0.00 N ATOM 753 CA THR A 48 3.565 -3.934 11.540 1.00 0.00 C ATOM 754 C THR A 48 2.364 -3.609 10.676 1.00 0.00 C ATOM 755 O THR A 48 1.240 -3.560 11.150 1.00 0.00 O ATOM 756 CB THR A 48 3.240 -4.339 13.010 1.00 0.00 C ATOM 757 OG1 THR A 48 2.048 -3.704 13.474 1.00 0.00 O ATOM 758 CG2 THR A 48 4.377 -3.966 14.002 1.00 0.00 C ATOM 0 H THR A 48 3.821 -1.856 11.728 1.00 0.00 H new ATOM 0 HA THR A 48 4.067 -4.803 11.115 1.00 0.00 H new ATOM 0 HB THR A 48 3.119 -5.422 12.987 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.338 -3.814 12.807 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.095 -4.272 15.010 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.295 -4.476 13.711 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.539 -2.888 13.982 1.00 0.00 H new ATOM 766 N TRP A 49 2.601 -3.346 9.371 1.00 0.00 N ATOM 767 CA TRP A 49 1.504 -2.907 8.513 1.00 0.00 C ATOM 768 C TRP A 49 0.567 -4.069 8.336 1.00 0.00 C ATOM 769 O TRP A 49 0.984 -5.189 8.577 1.00 0.00 O ATOM 770 CB TRP A 49 1.997 -2.549 7.089 1.00 0.00 C ATOM 771 CG TRP A 49 1.213 -1.530 6.310 1.00 0.00 C ATOM 772 CD1 TRP A 49 0.164 -1.680 5.479 1.00 0.00 C ATOM 773 CD2 TRP A 49 1.570 -0.069 6.319 1.00 0.00 C ATOM 774 NE1 TRP A 49 -0.120 -0.515 4.947 1.00 0.00 N ATOM 775 CE2 TRP A 49 0.701 0.460 5.388 1.00 0.00 C ATOM 776 CE3 TRP A 49 2.503 0.700 7.008 1.00 0.00 C ATOM 777 CZ2 TRP A 49 0.770 1.807 5.029 1.00 0.00 C ATOM 778 CZ3 TRP A 49 2.540 2.065 6.701 1.00 0.00 C ATOM 779 CH2 TRP A 49 1.713 2.598 5.702 1.00 0.00 C ATOM 0 H TRP A 49 3.509 -3.429 8.913 1.00 0.00 H new ATOM 0 HA TRP A 49 1.043 -2.036 8.978 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.023 -2.191 7.170 1.00 0.00 H new ATOM 0 HB3 TRP A 49 2.026 -3.468 6.504 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.357 -2.606 5.283 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.874 -0.364 4.277 1.00 0.00 H new ATOM 0 HE3 TRP A 49 3.165 0.266 7.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.126 2.222 4.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.213 2.715 7.240 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.804 3.643 5.444 1.00 0.00 H new ATOM 790 N SER A 50 -0.666 -3.829 7.856 1.00 0.00 N ATOM 791 CA SER A 50 -1.458 -4.941 7.350 1.00 0.00 C ATOM 792 C SER A 50 -2.467 -4.430 6.358 1.00 0.00 C ATOM 793 O SER A 50 -2.782 -3.251 6.395 1.00 0.00 O ATOM 794 CB SER A 50 -2.176 -5.765 8.440 1.00 0.00 C ATOM 795 OG SER A 50 -1.240 -6.218 9.432 1.00 0.00 O ATOM 0 H SER A 50 -1.113 -2.913 7.812 1.00 0.00 H new ATOM 0 HA SER A 50 -0.750 -5.622 6.878 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.949 -5.158 8.912 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.676 -6.621 7.986 1.00 0.00 H new ATOM 0 HG SER A 50 -0.783 -7.022 9.107 1.00 0.00 H new ATOM 801 N GLN A 51 -2.992 -5.306 5.477 1.00 0.00 N ATOM 802 CA GLN A 51 -4.073 -4.881 4.598 1.00 0.00 C ATOM 803 C GLN A 51 -4.901 -6.098 4.263 1.00 0.00 C ATOM 804 O GLN A 51 -4.311 -7.163 4.182 1.00 0.00 O ATOM 805 CB GLN A 51 -3.575 -4.051 3.387 1.00 0.00 C ATOM 806 CG GLN A 51 -2.282 -4.653 2.787 1.00 0.00 C ATOM 807 CD GLN A 51 -1.883 -3.901 1.539 1.00 0.00 C ATOM 808 OE1 GLN A 51 -0.884 -3.198 1.564 1.00 0.00 O ATOM 809 NE2 GLN A 51 -2.646 -4.027 0.431 1.00 0.00 N ATOM 0 H GLN A 51 -2.692 -6.274 5.365 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.725 -4.169 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.351 -4.017 2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.389 -3.023 3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.477 -4.607 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.438 -5.706 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.474 -4.623 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.394 -3.526 -0.421 1.00 0.00 H new ATOM 818 N HIS A 52 -6.246 -5.976 4.124 1.00 0.00 N ATOM 819 CA HIS A 52 -7.102 -7.160 4.206 1.00 0.00 C ATOM 820 C HIS A 52 -7.994 -7.287 3.000 1.00 0.00 C ATOM 821 O HIS A 52 -8.495 -6.263 2.563 1.00 0.00 O ATOM 822 CB HIS A 52 -7.975 -7.116 5.487 1.00 0.00 C ATOM 823 CG HIS A 52 -7.149 -6.694 6.676 1.00 0.00 C ATOM 824 ND1 HIS A 52 -6.671 -7.526 7.571 1.00 0.00 N ATOM 825 CD2 HIS A 52 -6.791 -5.430 6.981 1.00 0.00 C ATOM 826 CE1 HIS A 52 -5.988 -6.869 8.455 1.00 0.00 C ATOM 827 NE2 HIS A 52 -6.015 -5.646 8.172 1.00 0.00 N ATOM 0 H HIS A 52 -6.736 -5.097 3.961 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.444 -8.028 4.242 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.802 -6.420 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.412 -8.098 5.670 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.815 -8.536 7.571 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -7.024 -4.507 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.477 -7.304 9.301 1.00 0.00 H new ATOM 835 N TYR A 53 -8.210 -8.514 2.462 1.00 0.00 N ATOM 836 CA TYR A 53 -9.065 -8.644 1.289 1.00 0.00 C ATOM 837 C TYR A 53 -9.567 -10.052 1.059 1.00 0.00 C ATOM 838 O TYR A 53 -9.074 -10.973 1.689 1.00 0.00 O ATOM 839 CB TYR A 53 -8.334 -8.073 0.046 1.00 0.00 C ATOM 840 CG TYR A 53 -6.903 -8.575 -0.167 1.00 0.00 C ATOM 841 CD1 TYR A 53 -5.817 -7.889 0.388 1.00 0.00 C ATOM 842 CD2 TYR A 53 -6.669 -9.693 -0.974 1.00 0.00 C ATOM 843 CE1 TYR A 53 -4.516 -8.206 -0.008 1.00 0.00 C ATOM 844 CE2 TYR A 53 -5.367 -10.012 -1.370 1.00 0.00 C ATOM 845 CZ TYR A 53 -4.284 -9.264 -0.891 1.00 0.00 C ATOM 846 OH TYR A 53 -2.974 -9.566 -1.270 1.00 0.00 O ATOM 0 H TYR A 53 -7.815 -9.386 2.815 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.965 -8.057 1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.920 -8.314 -0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.311 -6.986 0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.985 -7.115 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.496 -10.311 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.684 -7.630 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.196 -10.836 -2.046 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.708 -10.422 -0.874 1.00 0.00 H new ATOM 856 N SER A 54 -10.573 -10.210 0.163 1.00 0.00 N ATOM 857 CA SER A 54 -11.152 -11.526 -0.105 1.00 0.00 C ATOM 858 C SER A 54 -11.594 -12.206 1.171 1.00 0.00 C ATOM 859 O SER A 54 -11.391 -13.403 1.297 1.00 0.00 O ATOM 860 CB SER A 54 -10.170 -12.381 -0.950 1.00 0.00 C ATOM 861 OG SER A 54 -10.741 -13.646 -1.323 1.00 0.00 O ATOM 0 H SER A 54 -10.987 -9.447 -0.373 1.00 0.00 H new ATOM 0 HA SER A 54 -12.058 -11.402 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.891 -11.830 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.255 -12.550 -0.382 1.00 0.00 H new ATOM 0 HG SER A 54 -11.102 -14.089 -0.527 1.00 0.00 H new ATOM 867 N GLY A 55 -12.210 -11.445 2.110 1.00 0.00 N ATOM 868 CA GLY A 55 -12.747 -12.031 3.339 1.00 0.00 C ATOM 869 C GLY A 55 -11.931 -13.192 3.851 1.00 0.00 C ATOM 870 O GLY A 55 -12.493 -14.244 4.115 1.00 0.00 O ATOM 0 H GLY A 55 -12.341 -10.436 2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -12.795 -11.262 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -13.769 -12.365 3.158 1.00 0.00 H new ATOM 874 N GLY A 56 -10.598 -13.017 3.990 1.00 0.00 N ATOM 875 CA GLY A 56 -9.762 -14.132 4.426 1.00 0.00 C ATOM 876 C GLY A 56 -8.315 -13.888 4.076 1.00 0.00 C ATOM 877 O GLY A 56 -7.469 -14.004 4.949 1.00 0.00 O ATOM 0 H GLY A 56 -10.102 -12.144 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.862 -14.268 5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.104 -15.054 3.956 1.00 0.00 H new ATOM 881 N HIS A 57 -8.020 -13.550 2.799 1.00 0.00 N ATOM 882 CA HIS A 57 -6.643 -13.237 2.432 1.00 0.00 C ATOM 883 C HIS A 57 -6.260 -11.984 3.182 1.00 0.00 C ATOM 884 O HIS A 57 -6.503 -10.903 2.668 1.00 0.00 O ATOM 885 CB HIS A 57 -6.457 -13.049 0.901 1.00 0.00 C ATOM 886 CG HIS A 57 -4.999 -12.852 0.567 1.00 0.00 C ATOM 887 ND1 HIS A 57 -4.219 -13.781 0.061 1.00 0.00 N ATOM 888 CD2 HIS A 57 -4.301 -11.712 0.736 1.00 0.00 C ATOM 889 CE1 HIS A 57 -3.030 -13.300 -0.123 1.00 0.00 C ATOM 890 NE2 HIS A 57 -3.006 -12.103 0.251 1.00 0.00 N ATOM 0 H HIS A 57 -8.698 -13.491 2.039 1.00 0.00 H new ATOM 0 HA HIS A 57 -5.996 -14.072 2.701 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.843 -13.920 0.372 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.034 -12.189 0.561 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.506 -14.736 -0.154 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.627 -10.761 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.192 -13.844 -0.534 1.00 0.00 H new ATOM 898 N THR A 58 -5.664 -12.101 4.394 1.00 0.00 N ATOM 899 CA THR A 58 -5.087 -10.926 5.034 1.00 0.00 C ATOM 900 C THR A 58 -3.639 -10.918 4.618 1.00 0.00 C ATOM 901 O THR A 58 -2.881 -11.715 5.148 1.00 0.00 O ATOM 902 CB THR A 58 -5.215 -10.884 6.582 1.00 0.00 C ATOM 903 OG1 THR A 58 -6.583 -10.630 6.950 1.00 0.00 O ATOM 904 CG2 THR A 58 -4.328 -9.748 7.166 1.00 0.00 C ATOM 0 H THR A 58 -5.579 -12.970 4.921 1.00 0.00 H new ATOM 0 HA THR A 58 -5.638 -10.042 4.713 1.00 0.00 H new ATOM 0 HB THR A 58 -4.890 -11.845 6.981 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.660 -10.606 7.927 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.427 -9.730 8.251 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.286 -9.927 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.648 -8.790 6.757 1.00 0.00 H new ATOM 912 N MET A 59 -3.234 -10.026 3.689 1.00 0.00 N ATOM 913 CA MET A 59 -1.811 -9.888 3.399 1.00 0.00 C ATOM 914 C MET A 59 -1.244 -9.024 4.497 1.00 0.00 C ATOM 915 O MET A 59 -2.015 -8.294 5.102 1.00 0.00 O ATOM 916 CB MET A 59 -1.600 -9.168 2.042 1.00 0.00 C ATOM 917 CG MET A 59 -0.131 -9.206 1.552 1.00 0.00 C ATOM 918 SD MET A 59 0.041 -8.285 0.000 1.00 0.00 S ATOM 919 CE MET A 59 -0.350 -6.598 0.549 1.00 0.00 C ATOM 0 H MET A 59 -3.852 -9.418 3.152 1.00 0.00 H new ATOM 0 HA MET A 59 -1.331 -10.865 3.345 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.239 -9.630 1.290 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.918 -8.130 2.136 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.524 -8.778 2.311 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.184 -10.239 1.406 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.342 -5.895 0.086 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.370 -6.348 0.258 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.257 -6.538 1.633 1.00 0.00 H new ATOM 929 N THR A 60 0.081 -9.067 4.761 1.00 0.00 N ATOM 930 CA THR A 60 0.668 -8.128 5.710 1.00 0.00 C ATOM 931 C THR A 60 1.984 -7.613 5.186 1.00 0.00 C ATOM 932 O THR A 60 2.587 -8.314 4.393 1.00 0.00 O ATOM 933 CB THR A 60 0.726 -8.764 7.127 1.00 0.00 C ATOM 934 OG1 THR A 60 -0.431 -8.406 7.902 1.00 0.00 O ATOM 935 CG2 THR A 60 1.990 -8.399 7.945 1.00 0.00 C ATOM 0 H THR A 60 0.737 -9.724 4.339 1.00 0.00 H new ATOM 0 HA THR A 60 0.038 -7.245 5.818 1.00 0.00 H new ATOM 0 HB THR A 60 0.757 -9.837 6.940 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.193 -8.260 7.304 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.946 -8.886 8.919 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.879 -8.735 7.411 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.036 -7.319 8.081 1.00 0.00 H new ATOM 943 N ASN A 61 2.423 -6.401 5.605 1.00 0.00 N ATOM 944 CA ASN A 61 3.681 -5.840 5.120 1.00 0.00 C ATOM 945 C ASN A 61 4.439 -5.281 6.301 1.00 0.00 C ATOM 946 O ASN A 61 4.545 -4.074 6.445 1.00 0.00 O ATOM 947 CB ASN A 61 3.393 -4.771 4.030 1.00 0.00 C ATOM 948 CG ASN A 61 2.526 -5.317 2.921 1.00 0.00 C ATOM 949 OD1 ASN A 61 1.434 -4.807 2.724 1.00 0.00 O ATOM 950 ND2 ASN A 61 2.980 -6.348 2.177 1.00 0.00 N ATOM 0 H ASN A 61 1.923 -5.810 6.269 1.00 0.00 H new ATOM 0 HA ASN A 61 4.300 -6.605 4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.901 -3.911 4.485 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.335 -4.415 3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.406 -6.725 1.423 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.897 -6.750 2.369 1.00 0.00 H new ATOM 957 N LYS A 62 4.994 -6.158 7.168 1.00 0.00 N ATOM 958 CA LYS A 62 5.889 -5.656 8.205 1.00 0.00 C ATOM 959 C LYS A 62 7.162 -5.224 7.516 1.00 0.00 C ATOM 960 O LYS A 62 7.492 -5.802 6.492 1.00 0.00 O ATOM 961 CB LYS A 62 6.179 -6.651 9.363 1.00 0.00 C ATOM 962 CG LYS A 62 6.976 -7.914 8.933 1.00 0.00 C ATOM 963 CD LYS A 62 7.419 -8.792 10.139 1.00 0.00 C ATOM 964 CE LYS A 62 6.229 -9.365 10.959 1.00 0.00 C ATOM 965 NZ LYS A 62 6.695 -10.326 11.985 1.00 0.00 N ATOM 0 H LYS A 62 4.842 -7.167 7.166 1.00 0.00 H new ATOM 0 HA LYS A 62 5.394 -4.825 8.707 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.736 -6.131 10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.232 -6.965 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.362 -8.513 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.858 -7.607 8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.028 -9.618 9.772 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.051 -8.197 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.690 -8.549 11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.526 -9.859 10.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.878 -10.691 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.188 -11.116 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.346 -9.847 12.639 1.00 0.00 H new ATOM 979 N PHE A 63 7.885 -4.219 8.055 1.00 0.00 N ATOM 980 CA PHE A 63 9.142 -3.803 7.436 1.00 0.00 C ATOM 981 C PHE A 63 9.925 -2.932 8.386 1.00 0.00 C ATOM 982 O PHE A 63 9.333 -2.453 9.339 1.00 0.00 O ATOM 983 CB PHE A 63 8.914 -3.046 6.100 1.00 0.00 C ATOM 984 CG PHE A 63 7.928 -1.877 6.263 1.00 0.00 C ATOM 985 CD1 PHE A 63 8.310 -0.703 6.917 1.00 0.00 C ATOM 986 CD2 PHE A 63 6.630 -1.978 5.745 1.00 0.00 C ATOM 987 CE1 PHE A 63 7.386 0.330 7.106 1.00 0.00 C ATOM 988 CE2 PHE A 63 5.697 -0.960 5.960 1.00 0.00 C ATOM 989 CZ PHE A 63 6.067 0.184 6.670 1.00 0.00 C ATOM 0 H PHE A 63 7.623 -3.700 8.893 1.00 0.00 H new ATOM 0 HA PHE A 63 9.707 -4.708 7.212 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.867 -2.668 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.534 -3.740 5.350 1.00 0.00 H new ATOM 0 HD1 PHE A 63 9.322 -0.593 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.348 -2.851 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.694 1.244 7.591 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.692 -1.058 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 63 5.337 0.952 6.881 1.00 0.00 H new ATOM 999 N THR A 64 11.237 -2.716 8.129 1.00 0.00 N ATOM 1000 CA THR A 64 12.027 -1.809 8.956 1.00 0.00 C ATOM 1001 C THR A 64 12.536 -0.703 8.063 1.00 0.00 C ATOM 1002 O THR A 64 12.989 -1.017 6.973 1.00 0.00 O ATOM 1003 CB THR A 64 13.119 -2.597 9.716 1.00 0.00 C ATOM 1004 OG1 THR A 64 12.567 -3.710 10.438 1.00 0.00 O ATOM 1005 CG2 THR A 64 13.953 -1.673 10.642 1.00 0.00 C ATOM 0 H THR A 64 11.752 -3.155 7.366 1.00 0.00 H new ATOM 0 HA THR A 64 11.435 -1.339 9.742 1.00 0.00 H new ATOM 0 HB THR A 64 13.799 -3.004 8.968 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.654 -3.495 10.722 1.00 0.00 H new ATOM 0 HG21 THR A 64 14.710 -2.263 11.159 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.440 -0.902 10.044 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.296 -1.204 11.374 1.00 0.00 H new ATOM 1013 N VAL A 65 12.438 0.584 8.485 1.00 0.00 N ATOM 1014 CA VAL A 65 12.739 1.690 7.591 1.00 0.00 C ATOM 1015 C VAL A 65 14.198 2.023 7.771 1.00 0.00 C ATOM 1016 O VAL A 65 14.699 1.871 8.874 1.00 0.00 O ATOM 1017 CB VAL A 65 11.787 2.903 7.808 1.00 0.00 C ATOM 1018 CG1 VAL A 65 10.343 2.445 8.112 1.00 0.00 C ATOM 1019 CG2 VAL A 65 12.274 3.915 8.870 1.00 0.00 C ATOM 0 H VAL A 65 12.156 0.860 9.426 1.00 0.00 H new ATOM 0 HA VAL A 65 12.561 1.406 6.554 1.00 0.00 H new ATOM 0 HB VAL A 65 11.797 3.439 6.859 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.707 3.318 8.258 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.965 1.856 7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.337 1.837 9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.552 4.727 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.373 3.413 9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.241 4.320 8.571 1.00 0.00 H new ATOM 1029 N GLY A 66 14.904 2.449 6.703 1.00 0.00 N ATOM 1030 CA GLY A 66 16.344 2.625 6.809 1.00 0.00 C ATOM 1031 C GLY A 66 17.018 1.278 6.918 1.00 0.00 C ATOM 1032 O GLY A 66 18.154 1.257 7.363 1.00 0.00 O ATOM 0 H GLY A 66 14.505 2.668 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.719 3.160 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 66 16.582 3.233 7.682 1.00 0.00 H new ATOM 1036 N LYS A 67 16.360 0.158 6.516 1.00 0.00 N ATOM 1037 CA LYS A 67 17.003 -1.152 6.595 1.00 0.00 C ATOM 1038 C LYS A 67 16.638 -2.003 5.390 1.00 0.00 C ATOM 1039 O LYS A 67 17.548 -2.306 4.636 1.00 0.00 O ATOM 1040 CB LYS A 67 16.619 -1.811 7.947 1.00 0.00 C ATOM 1041 CG LYS A 67 17.461 -3.088 8.214 1.00 0.00 C ATOM 1042 CD LYS A 67 17.081 -3.756 9.563 1.00 0.00 C ATOM 1043 CE LYS A 67 17.832 -5.095 9.813 1.00 0.00 C ATOM 1044 NZ LYS A 67 19.303 -4.943 9.902 1.00 0.00 N ATOM 0 H LYS A 67 15.410 0.148 6.145 1.00 0.00 H new ATOM 0 HA LYS A 67 18.088 -1.049 6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.770 -1.098 8.757 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.559 -2.067 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.311 -3.799 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.520 -2.830 8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.300 -3.066 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.007 -3.940 9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.465 -5.541 10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.595 -5.790 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.739 -5.872 10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.665 -4.546 9.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.539 -4.304 10.688 1.00 0.00 H new ATOM 1058 N GLU A 68 15.342 -2.371 5.213 1.00 0.00 N ATOM 1059 CA GLU A 68 14.841 -3.160 4.083 1.00 0.00 C ATOM 1060 C GLU A 68 14.254 -4.441 4.617 1.00 0.00 C ATOM 1061 O GLU A 68 14.630 -4.848 5.705 1.00 0.00 O ATOM 1062 CB GLU A 68 15.780 -3.505 2.890 1.00 0.00 C ATOM 1063 CG GLU A 68 16.683 -4.731 3.183 1.00 0.00 C ATOM 1064 CD GLU A 68 17.774 -4.821 2.146 1.00 0.00 C ATOM 1065 OE1 GLU A 68 17.436 -4.973 0.941 1.00 0.00 O ATOM 1066 OE2 GLU A 68 18.974 -4.738 2.524 1.00 0.00 O ATOM 0 H GLU A 68 14.608 -2.116 5.874 1.00 0.00 H new ATOM 0 HA GLU A 68 14.129 -2.475 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.178 -3.704 2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.406 -2.642 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.120 -4.643 4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.087 -5.643 3.177 1.00 0.00 H new ATOM 1073 N SER A 69 13.349 -5.090 3.849 1.00 0.00 N ATOM 1074 CA SER A 69 12.794 -6.368 4.282 1.00 0.00 C ATOM 1075 C SER A 69 12.299 -7.140 3.079 1.00 0.00 C ATOM 1076 O SER A 69 12.168 -6.536 2.027 1.00 0.00 O ATOM 1077 CB SER A 69 11.644 -6.106 5.289 1.00 0.00 C ATOM 1078 OG SER A 69 12.104 -5.363 6.430 1.00 0.00 O ATOM 0 H SER A 69 13.002 -4.751 2.951 1.00 0.00 H new ATOM 0 HA SER A 69 13.562 -6.964 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.843 -5.556 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.223 -7.056 5.618 1.00 0.00 H new ATOM 0 HG SER A 69 13.083 -5.379 6.458 1.00 0.00 H new ATOM 1084 N ASN A 70 12.022 -8.458 3.209 1.00 0.00 N ATOM 1085 CA ASN A 70 11.439 -9.206 2.093 1.00 0.00 C ATOM 1086 C ASN A 70 9.971 -8.841 2.064 1.00 0.00 C ATOM 1087 O ASN A 70 9.168 -9.543 2.656 1.00 0.00 O ATOM 1088 CB ASN A 70 11.721 -10.728 2.207 1.00 0.00 C ATOM 1089 CG ASN A 70 11.312 -11.321 3.537 1.00 0.00 C ATOM 1090 OD1 ASN A 70 12.147 -11.396 4.424 1.00 0.00 O ATOM 1091 ND2 ASN A 70 10.042 -11.747 3.714 1.00 0.00 N ATOM 0 H ASN A 70 12.190 -9.005 4.054 1.00 0.00 H new ATOM 0 HA ASN A 70 11.895 -8.939 1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.192 -11.248 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.785 -10.905 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.758 -12.145 4.609 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.368 -11.670 2.953 1.00 0.00 H new ATOM 1098 N ILE A 71 9.598 -7.723 1.395 1.00 0.00 N ATOM 1099 CA ILE A 71 8.216 -7.243 1.448 1.00 0.00 C ATOM 1100 C ILE A 71 7.437 -7.989 0.386 1.00 0.00 C ATOM 1101 O ILE A 71 7.932 -8.108 -0.724 1.00 0.00 O ATOM 1102 CB ILE A 71 8.171 -5.690 1.315 1.00 0.00 C ATOM 1103 CG1 ILE A 71 8.958 -5.052 2.495 1.00 0.00 C ATOM 1104 CG2 ILE A 71 6.715 -5.156 1.277 1.00 0.00 C ATOM 1105 CD1 ILE A 71 9.006 -3.505 2.452 1.00 0.00 C ATOM 0 H ILE A 71 10.227 -7.155 0.827 1.00 0.00 H new ATOM 0 HA ILE A 71 7.748 -7.448 2.411 1.00 0.00 H new ATOM 0 HB ILE A 71 8.637 -5.411 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.503 -5.366 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 71 9.977 -5.438 2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.728 -4.070 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.191 -5.587 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.201 -5.435 2.197 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.572 -3.135 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.489 -3.181 1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.991 -3.108 2.489 1.00 0.00 H new ATOM 1117 N GLN A 72 6.234 -8.520 0.714 1.00 0.00 N ATOM 1118 CA GLN A 72 5.511 -9.401 -0.206 1.00 0.00 C ATOM 1119 C GLN A 72 4.649 -8.636 -1.182 1.00 0.00 C ATOM 1120 O GLN A 72 4.308 -9.230 -2.190 1.00 0.00 O ATOM 1121 CB GLN A 72 4.685 -10.533 0.479 1.00 0.00 C ATOM 1122 CG GLN A 72 3.627 -10.025 1.495 1.00 0.00 C ATOM 1123 CD GLN A 72 4.272 -9.786 2.841 1.00 0.00 C ATOM 1124 OE1 GLN A 72 4.752 -8.686 3.065 1.00 0.00 O ATOM 1125 NE2 GLN A 72 4.322 -10.787 3.748 1.00 0.00 N ATOM 0 H GLN A 72 5.757 -8.350 1.600 1.00 0.00 H new ATOM 0 HA GLN A 72 6.306 -9.902 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.181 -11.116 -0.292 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.370 -11.207 0.992 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.175 -9.102 1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.824 -10.756 1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.911 -11.695 3.529 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.771 -10.635 4.651 1.00 0.00 H new ATOM 1134 N THR A 73 4.287 -7.355 -0.940 1.00 0.00 N ATOM 1135 CA THR A 73 3.653 -6.533 -1.976 1.00 0.00 C ATOM 1136 C THR A 73 2.334 -7.100 -2.443 1.00 0.00 C ATOM 1137 O THR A 73 2.008 -8.197 -2.026 1.00 0.00 O ATOM 1138 CB THR A 73 4.636 -6.265 -3.149 1.00 0.00 C ATOM 1139 OG1 THR A 73 5.116 -7.486 -3.725 1.00 0.00 O ATOM 1140 CG2 THR A 73 5.850 -5.453 -2.645 1.00 0.00 C ATOM 0 H THR A 73 4.424 -6.881 -0.047 1.00 0.00 H new ATOM 0 HA THR A 73 3.412 -5.570 -1.525 1.00 0.00 H new ATOM 0 HB THR A 73 4.090 -5.706 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.534 -8.227 -3.454 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.534 -5.269 -3.473 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.508 -4.501 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.366 -6.015 -1.866 1.00 0.00 H new ATOM 1148 N MET A 74 1.594 -6.337 -3.287 1.00 0.00 N ATOM 1149 CA MET A 74 0.274 -6.726 -3.801 1.00 0.00 C ATOM 1150 C MET A 74 -0.260 -8.056 -3.305 1.00 0.00 C ATOM 1151 O MET A 74 -1.288 -8.068 -2.646 1.00 0.00 O ATOM 1152 CB MET A 74 0.235 -6.685 -5.362 1.00 0.00 C ATOM 1153 CG MET A 74 -1.114 -6.146 -5.919 1.00 0.00 C ATOM 1154 SD MET A 74 -2.581 -6.851 -5.086 1.00 0.00 S ATOM 1155 CE MET A 74 -2.589 -8.606 -5.576 1.00 0.00 C ATOM 0 H MET A 74 1.908 -5.428 -3.627 1.00 0.00 H new ATOM 0 HA MET A 74 -0.396 -5.973 -3.387 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.049 -6.057 -5.725 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.408 -7.688 -5.751 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.133 -5.061 -5.815 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.171 -6.365 -6.985 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.087 -9.196 -4.807 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.121 -8.718 -6.521 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.563 -8.955 -5.694 1.00 0.00 H new ATOM 1165 N GLY A 75 0.415 -9.189 -3.612 1.00 0.00 N ATOM 1166 CA GLY A 75 -0.058 -10.483 -3.127 1.00 0.00 C ATOM 1167 C GLY A 75 0.778 -11.593 -3.719 1.00 0.00 C ATOM 1168 O GLY A 75 1.722 -12.029 -3.077 1.00 0.00 O ATOM 0 H GLY A 75 1.263 -9.223 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.002 -10.515 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.105 -10.621 -3.397 1.00 0.00 H new ATOM 1172 N GLY A 76 0.463 -12.043 -4.956 1.00 0.00 N ATOM 1173 CA GLY A 76 1.306 -13.044 -5.605 1.00 0.00 C ATOM 1174 C GLY A 76 2.661 -12.454 -5.913 1.00 0.00 C ATOM 1175 O GLY A 76 3.645 -13.176 -5.866 1.00 0.00 O ATOM 0 H GLY A 76 -0.343 -11.735 -5.500 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.417 -13.914 -4.957 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.833 -13.390 -6.524 1.00 0.00 H new ATOM 1179 N LYS A 77 2.731 -11.140 -6.236 1.00 0.00 N ATOM 1180 CA LYS A 77 4.028 -10.513 -6.492 1.00 0.00 C ATOM 1181 C LYS A 77 4.837 -10.546 -5.214 1.00 0.00 C ATOM 1182 O LYS A 77 4.235 -10.747 -4.173 1.00 0.00 O ATOM 1183 CB LYS A 77 3.873 -9.036 -6.963 1.00 0.00 C ATOM 1184 CG LYS A 77 3.093 -8.847 -8.297 1.00 0.00 C ATOM 1185 CD LYS A 77 3.858 -9.376 -9.541 1.00 0.00 C ATOM 1186 CE LYS A 77 3.009 -9.201 -10.830 1.00 0.00 C ATOM 1187 NZ LYS A 77 3.748 -9.644 -12.034 1.00 0.00 N ATOM 0 H LYS A 77 1.926 -10.519 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 77 4.528 -11.065 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.365 -8.473 -6.180 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.866 -8.601 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.134 -9.360 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.877 -7.788 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.802 -8.841 -9.647 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.102 -10.429 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.086 -9.773 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.726 -8.154 -10.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.151 -9.513 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.617 -9.081 -12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.996 -10.650 -11.939 1.00 0.00 H new ATOM 1201 N THR A 78 6.179 -10.351 -5.265 1.00 0.00 N ATOM 1202 CA THR A 78 6.985 -10.325 -4.039 1.00 0.00 C ATOM 1203 C THR A 78 8.383 -9.838 -4.346 1.00 0.00 C ATOM 1204 O THR A 78 8.840 -10.071 -5.453 1.00 0.00 O ATOM 1205 CB THR A 78 7.068 -11.710 -3.337 1.00 0.00 C ATOM 1206 OG1 THR A 78 7.712 -11.645 -2.052 1.00 0.00 O ATOM 1207 CG2 THR A 78 7.782 -12.752 -4.233 1.00 0.00 C ATOM 0 H THR A 78 6.708 -10.213 -6.126 1.00 0.00 H new ATOM 0 HA THR A 78 6.485 -9.641 -3.354 1.00 0.00 H new ATOM 0 HB THR A 78 6.038 -12.027 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.737 -12.540 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.824 -13.710 -3.714 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.230 -12.869 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.795 -12.412 -4.450 1.00 0.00 H new ATOM 1215 N PHE A 79 9.068 -9.167 -3.389 1.00 0.00 N ATOM 1216 CA PHE A 79 10.419 -8.667 -3.652 1.00 0.00 C ATOM 1217 C PHE A 79 11.112 -8.303 -2.355 1.00 0.00 C ATOM 1218 O PHE A 79 10.476 -8.369 -1.315 1.00 0.00 O ATOM 1219 CB PHE A 79 10.419 -7.396 -4.549 1.00 0.00 C ATOM 1220 CG PHE A 79 9.264 -7.352 -5.557 1.00 0.00 C ATOM 1221 CD1 PHE A 79 7.983 -7.002 -5.122 1.00 0.00 C ATOM 1222 CD2 PHE A 79 9.470 -7.651 -6.908 1.00 0.00 C ATOM 1223 CE1 PHE A 79 6.954 -6.805 -6.046 1.00 0.00 C ATOM 1224 CE2 PHE A 79 8.423 -7.517 -7.824 1.00 0.00 C ATOM 1225 CZ PHE A 79 7.183 -7.032 -7.402 1.00 0.00 C ATOM 0 H PHE A 79 8.710 -8.968 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 79 10.942 -9.472 -4.168 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.367 -6.513 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 79 11.364 -7.344 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.788 -6.883 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.440 -7.986 -7.244 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.981 -6.477 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 79 8.573 -7.789 -8.859 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.404 -6.834 -8.124 1.00 0.00 H new ATOM 1235 N LYS A 80 12.399 -7.887 -2.417 1.00 0.00 N ATOM 1236 CA LYS A 80 13.067 -7.293 -1.258 1.00 0.00 C ATOM 1237 C LYS A 80 13.214 -5.825 -1.590 1.00 0.00 C ATOM 1238 O LYS A 80 13.481 -5.536 -2.746 1.00 0.00 O ATOM 1239 CB LYS A 80 14.365 -8.089 -0.971 1.00 0.00 C ATOM 1240 CG LYS A 80 15.007 -7.801 0.414 1.00 0.00 C ATOM 1241 CD LYS A 80 16.238 -8.727 0.631 1.00 0.00 C ATOM 1242 CE LYS A 80 16.948 -8.535 2.000 1.00 0.00 C ATOM 1243 NZ LYS A 80 16.081 -8.826 3.167 1.00 0.00 N ATOM 0 H LYS A 80 12.981 -7.955 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 80 12.521 -7.351 -0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.145 -9.154 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.094 -7.863 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.312 -6.756 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.275 -7.964 1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.917 -9.765 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.958 -8.548 -0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 80 17.824 -9.182 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 80 17.307 -7.508 2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.619 -8.677 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.257 -8.191 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.758 -9.814 3.122 1.00 0.00 H new ATOM 1257 N ALA A 81 12.994 -4.887 -0.636 1.00 0.00 N ATOM 1258 CA ALA A 81 12.782 -3.485 -1.010 1.00 0.00 C ATOM 1259 C ALA A 81 13.145 -2.568 0.132 1.00 0.00 C ATOM 1260 O ALA A 81 12.898 -2.966 1.259 1.00 0.00 O ATOM 1261 CB ALA A 81 11.274 -3.336 -1.295 1.00 0.00 C ATOM 0 H ALA A 81 12.961 -5.076 0.366 1.00 0.00 H new ATOM 0 HA ALA A 81 13.398 -3.223 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.058 -2.306 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.989 -4.005 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.707 -3.592 -0.400 1.00 0.00 H new ATOM 1267 N THR A 82 13.725 -1.369 -0.124 1.00 0.00 N ATOM 1268 CA THR A 82 14.230 -0.549 0.975 1.00 0.00 C ATOM 1269 C THR A 82 13.206 0.468 1.414 1.00 0.00 C ATOM 1270 O THR A 82 13.011 1.424 0.680 1.00 0.00 O ATOM 1271 CB THR A 82 15.562 0.151 0.580 1.00 0.00 C ATOM 1272 OG1 THR A 82 16.431 -0.767 -0.104 1.00 0.00 O ATOM 1273 CG2 THR A 82 16.272 0.766 1.819 1.00 0.00 C ATOM 0 H THR A 82 13.847 -0.969 -1.054 1.00 0.00 H new ATOM 0 HA THR A 82 14.428 -1.212 1.817 1.00 0.00 H new ATOM 0 HB THR A 82 15.320 0.969 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 82 17.263 -0.310 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.199 1.247 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.619 1.505 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.497 -0.022 2.538 1.00 0.00 H new ATOM 1281 N VAL A 83 12.559 0.305 2.595 1.00 0.00 N ATOM 1282 CA VAL A 83 11.640 1.334 3.074 1.00 0.00 C ATOM 1283 C VAL A 83 12.476 2.393 3.751 1.00 0.00 C ATOM 1284 O VAL A 83 13.482 2.041 4.343 1.00 0.00 O ATOM 1285 CB VAL A 83 10.546 0.798 4.042 1.00 0.00 C ATOM 1286 CG1 VAL A 83 9.601 1.928 4.544 1.00 0.00 C ATOM 1287 CG2 VAL A 83 9.699 -0.292 3.336 1.00 0.00 C ATOM 0 H VAL A 83 12.659 -0.505 3.206 1.00 0.00 H new ATOM 0 HA VAL A 83 11.089 1.733 2.222 1.00 0.00 H new ATOM 0 HB VAL A 83 11.061 0.378 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 83 8.854 1.506 5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.184 2.680 5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.102 2.390 3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.936 -0.661 4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.219 0.134 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 83 10.345 -1.116 3.035 1.00 0.00 H new ATOM 1297 N GLN A 84 12.071 3.680 3.669 1.00 0.00 N ATOM 1298 CA GLN A 84 12.744 4.755 4.393 1.00 0.00 C ATOM 1299 C GLN A 84 11.657 5.693 4.865 1.00 0.00 C ATOM 1300 O GLN A 84 10.496 5.335 4.739 1.00 0.00 O ATOM 1301 CB GLN A 84 13.817 5.433 3.489 1.00 0.00 C ATOM 1302 CG GLN A 84 14.794 4.402 2.877 1.00 0.00 C ATOM 1303 CD GLN A 84 15.837 5.079 2.020 1.00 0.00 C ATOM 1304 OE1 GLN A 84 16.986 5.151 2.428 1.00 0.00 O ATOM 1305 NE2 GLN A 84 15.462 5.587 0.825 1.00 0.00 N ATOM 0 H GLN A 84 11.279 3.989 3.105 1.00 0.00 H new ATOM 0 HA GLN A 84 13.300 4.393 5.258 1.00 0.00 H new ATOM 0 HB2 GLN A 84 13.322 5.983 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 84 14.378 6.160 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 84 15.283 3.842 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 84 14.238 3.682 2.277 1.00 0.00 H new ATOM 0 HE21 GLN A 84 14.492 5.507 0.519 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.149 6.050 0.230 1.00 0.00 H new ATOM 1314 N MET A 85 12.004 6.873 5.418 1.00 0.00 N ATOM 1315 CA MET A 85 10.993 7.759 5.991 1.00 0.00 C ATOM 1316 C MET A 85 11.356 9.205 5.735 1.00 0.00 C ATOM 1317 O MET A 85 12.540 9.498 5.686 1.00 0.00 O ATOM 1318 CB MET A 85 10.872 7.531 7.515 1.00 0.00 C ATOM 1319 CG MET A 85 9.638 8.272 8.094 1.00 0.00 C ATOM 1320 SD MET A 85 9.567 8.023 9.889 1.00 0.00 S ATOM 1321 CE MET A 85 8.493 6.569 9.842 1.00 0.00 C ATOM 0 H MET A 85 12.961 7.222 5.476 1.00 0.00 H new ATOM 0 HA MET A 85 10.038 7.533 5.516 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.789 6.464 7.721 1.00 0.00 H new ATOM 0 HB3 MET A 85 11.777 7.882 8.011 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.700 9.336 7.866 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.726 7.899 7.628 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.303 6.224 10.858 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.549 6.830 9.364 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.980 5.775 9.275 1.00 0.00 H new ATOM 1331 N GLU A 86 10.361 10.111 5.594 1.00 0.00 N ATOM 1332 CA GLU A 86 10.630 11.547 5.520 1.00 0.00 C ATOM 1333 C GLU A 86 9.736 12.228 6.535 1.00 0.00 C ATOM 1334 O GLU A 86 8.741 12.827 6.159 1.00 0.00 O ATOM 1335 CB GLU A 86 10.380 12.059 4.077 1.00 0.00 C ATOM 1336 CG GLU A 86 11.503 11.600 3.109 1.00 0.00 C ATOM 1337 CD GLU A 86 11.248 12.051 1.692 1.00 0.00 C ATOM 1338 OE1 GLU A 86 10.684 13.163 1.504 1.00 0.00 O ATOM 1339 OE2 GLU A 86 11.612 11.300 0.747 1.00 0.00 O ATOM 0 H GLU A 86 9.373 9.865 5.530 1.00 0.00 H new ATOM 0 HA GLU A 86 11.671 11.772 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.418 11.691 3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.323 13.148 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.459 11.997 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.582 10.513 3.135 1.00 0.00 H new ATOM 1346 N GLY A 87 10.086 12.142 7.840 1.00 0.00 N ATOM 1347 CA GLY A 87 9.286 12.816 8.860 1.00 0.00 C ATOM 1348 C GLY A 87 7.916 12.184 8.934 1.00 0.00 C ATOM 1349 O GLY A 87 7.843 11.039 9.352 1.00 0.00 O ATOM 0 H GLY A 87 10.893 11.627 8.193 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.781 12.747 9.828 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.196 13.876 8.623 1.00 0.00 H new ATOM 1353 N GLY A 88 6.832 12.891 8.527 1.00 0.00 N ATOM 1354 CA GLY A 88 5.493 12.304 8.565 1.00 0.00 C ATOM 1355 C GLY A 88 5.109 11.748 7.214 1.00 0.00 C ATOM 1356 O GLY A 88 3.943 11.832 6.857 1.00 0.00 O ATOM 0 H GLY A 88 6.868 13.848 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.461 11.511 9.312 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.769 13.059 8.871 1.00 0.00 H new ATOM 1360 N LYS A 89 6.070 11.162 6.461 1.00 0.00 N ATOM 1361 CA LYS A 89 5.759 10.573 5.160 1.00 0.00 C ATOM 1362 C LYS A 89 6.635 9.354 4.997 1.00 0.00 C ATOM 1363 O LYS A 89 7.686 9.347 5.616 1.00 0.00 O ATOM 1364 CB LYS A 89 5.927 11.663 4.063 1.00 0.00 C ATOM 1365 CG LYS A 89 5.614 11.175 2.617 1.00 0.00 C ATOM 1366 CD LYS A 89 6.838 10.546 1.885 1.00 0.00 C ATOM 1367 CE LYS A 89 7.744 11.594 1.175 1.00 0.00 C ATOM 1368 NZ LYS A 89 7.194 12.068 -0.118 1.00 0.00 N ATOM 0 H LYS A 89 7.049 11.090 6.736 1.00 0.00 H new ATOM 0 HA LYS A 89 4.727 10.233 5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.273 12.503 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.950 12.037 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.810 10.440 2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.246 12.017 2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.436 9.990 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.480 9.828 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.885 12.449 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.728 11.157 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.844 12.763 -0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.084 11.261 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.268 12.513 0.041 1.00 0.00 H new ATOM 1382 N LEU A 90 6.234 8.323 4.216 1.00 0.00 N ATOM 1383 CA LEU A 90 7.012 7.089 4.136 1.00 0.00 C ATOM 1384 C LEU A 90 7.507 6.865 2.729 1.00 0.00 C ATOM 1385 O LEU A 90 6.835 7.317 1.815 1.00 0.00 O ATOM 1386 CB LEU A 90 6.126 5.898 4.556 1.00 0.00 C ATOM 1387 CG LEU A 90 6.894 4.731 5.225 1.00 0.00 C ATOM 1388 CD1 LEU A 90 7.482 5.118 6.614 1.00 0.00 C ATOM 1389 CD2 LEU A 90 5.929 3.533 5.378 1.00 0.00 C ATOM 0 H LEU A 90 5.389 8.331 3.645 1.00 0.00 H new ATOM 0 HA LEU A 90 7.870 7.173 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.361 6.256 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.608 5.518 3.675 1.00 0.00 H new ATOM 0 HG LEU A 90 7.740 4.472 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.009 4.263 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.176 5.950 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.673 5.412 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.453 2.701 5.848 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.082 3.825 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.570 3.227 4.395 1.00 0.00 H new ATOM 1401 N VAL A 91 8.653 6.165 2.550 1.00 0.00 N ATOM 1402 CA VAL A 91 9.211 5.965 1.217 1.00 0.00 C ATOM 1403 C VAL A 91 9.533 4.511 1.004 1.00 0.00 C ATOM 1404 O VAL A 91 9.946 3.895 1.968 1.00 0.00 O ATOM 1405 CB VAL A 91 10.520 6.790 1.107 1.00 0.00 C ATOM 1406 CG1 VAL A 91 11.125 6.737 -0.322 1.00 0.00 C ATOM 1407 CG2 VAL A 91 10.312 8.258 1.566 1.00 0.00 C ATOM 0 H VAL A 91 9.191 5.741 3.306 1.00 0.00 H new ATOM 0 HA VAL A 91 8.488 6.284 0.466 1.00 0.00 H new ATOM 0 HB VAL A 91 11.238 6.326 1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 91 12.040 7.329 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.352 5.703 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 91 10.408 7.142 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.251 8.804 1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.555 8.731 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.984 8.271 2.605 1.00 0.00 H new ATOM 1417 N VAL A 92 9.392 3.948 -0.218 1.00 0.00 N ATOM 1418 CA VAL A 92 9.923 2.617 -0.487 1.00 0.00 C ATOM 1419 C VAL A 92 10.209 2.458 -1.959 1.00 0.00 C ATOM 1420 O VAL A 92 9.630 3.181 -2.754 1.00 0.00 O ATOM 1421 CB VAL A 92 8.962 1.509 0.029 1.00 0.00 C ATOM 1422 CG1 VAL A 92 7.608 1.567 -0.709 1.00 0.00 C ATOM 1423 CG2 VAL A 92 9.534 0.068 -0.107 1.00 0.00 C ATOM 0 H VAL A 92 8.924 4.392 -1.008 1.00 0.00 H new ATOM 0 HA VAL A 92 10.861 2.505 0.057 1.00 0.00 H new ATOM 0 HB VAL A 92 8.834 1.717 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.953 0.782 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.144 2.539 -0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.769 1.421 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.807 -0.649 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 92 9.739 -0.145 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 92 10.458 -0.012 0.466 1.00 0.00 H new ATOM 1433 N ASN A 93 11.100 1.508 -2.319 1.00 0.00 N ATOM 1434 CA ASN A 93 11.380 1.235 -3.721 1.00 0.00 C ATOM 1435 C ASN A 93 11.588 -0.254 -3.883 1.00 0.00 C ATOM 1436 O ASN A 93 12.381 -0.804 -3.135 1.00 0.00 O ATOM 1437 CB ASN A 93 12.616 2.051 -4.167 1.00 0.00 C ATOM 1438 CG ASN A 93 13.807 1.751 -3.285 1.00 0.00 C ATOM 1439 OD1 ASN A 93 14.042 2.490 -2.342 1.00 0.00 O ATOM 1440 ND2 ASN A 93 14.574 0.672 -3.557 1.00 0.00 N ATOM 0 H ASN A 93 11.624 0.932 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 93 10.547 1.537 -4.356 1.00 0.00 H new ATOM 0 HB2 ASN A 93 12.857 1.816 -5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 93 12.388 3.116 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 93 15.377 0.455 -2.966 1.00 0.00 H new ATOM 0 HD22 ASN A 93 14.350 0.075 -4.353 1.00 0.00 H new ATOM 1447 N PHE A 94 10.891 -0.910 -4.841 1.00 0.00 N ATOM 1448 CA PHE A 94 11.105 -2.332 -5.110 1.00 0.00 C ATOM 1449 C PHE A 94 11.912 -2.358 -6.388 1.00 0.00 C ATOM 1450 O PHE A 94 11.856 -1.351 -7.078 1.00 0.00 O ATOM 1451 CB PHE A 94 9.726 -3.008 -5.378 1.00 0.00 C ATOM 1452 CG PHE A 94 8.741 -2.716 -4.239 1.00 0.00 C ATOM 1453 CD1 PHE A 94 7.951 -1.560 -4.237 1.00 0.00 C ATOM 1454 CD2 PHE A 94 8.627 -3.610 -3.172 1.00 0.00 C ATOM 1455 CE1 PHE A 94 7.217 -1.210 -3.100 1.00 0.00 C ATOM 1456 CE2 PHE A 94 7.947 -3.233 -2.013 1.00 0.00 C ATOM 1457 CZ PHE A 94 7.264 -2.020 -1.963 1.00 0.00 C ATOM 0 H PHE A 94 10.183 -0.472 -5.431 1.00 0.00 H new ATOM 0 HA PHE A 94 11.597 -2.848 -4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.316 -2.645 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 94 9.859 -4.085 -5.482 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.909 -0.936 -5.118 1.00 0.00 H new ATOM 0 HD2 PHE A 94 9.066 -4.594 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.614 -0.314 -3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 94 7.950 -3.884 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 94 6.775 -1.708 -1.052 1.00 0.00 H new ATOM 1467 N PRO A 95 12.643 -3.420 -6.805 1.00 0.00 N ATOM 1468 CA PRO A 95 13.265 -3.402 -8.127 1.00 0.00 C ATOM 1469 C PRO A 95 12.231 -3.662 -9.208 1.00 0.00 C ATOM 1470 O PRO A 95 12.423 -4.573 -9.996 1.00 0.00 O ATOM 1471 CB PRO A 95 14.269 -4.568 -7.931 1.00 0.00 C ATOM 1472 CG PRO A 95 13.508 -5.538 -6.997 1.00 0.00 C ATOM 1473 CD PRO A 95 12.867 -4.584 -5.963 1.00 0.00 C ATOM 0 HA PRO A 95 13.725 -2.467 -8.446 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.527 -5.041 -8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.201 -4.225 -7.482 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.756 -6.113 -7.537 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.179 -6.255 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.942 -4.982 -5.545 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.530 -4.371 -5.124 1.00 0.00 H new ATOM 1481 N ASN A 96 11.132 -2.869 -9.266 1.00 0.00 N ATOM 1482 CA ASN A 96 10.039 -3.128 -10.206 1.00 0.00 C ATOM 1483 C ASN A 96 9.123 -1.914 -10.211 1.00 0.00 C ATOM 1484 O ASN A 96 9.147 -1.173 -11.182 1.00 0.00 O ATOM 1485 CB ASN A 96 9.268 -4.429 -9.835 1.00 0.00 C ATOM 1486 CG ASN A 96 9.984 -5.671 -10.310 1.00 0.00 C ATOM 1487 OD1 ASN A 96 10.581 -6.362 -9.499 1.00 0.00 O ATOM 1488 ND2 ASN A 96 9.950 -5.978 -11.626 1.00 0.00 N ATOM 0 H ASN A 96 10.990 -2.052 -8.672 1.00 0.00 H new ATOM 0 HA ASN A 96 10.440 -3.287 -11.207 1.00 0.00 H new ATOM 0 HB2 ASN A 96 9.139 -4.477 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.271 -4.396 -10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.433 -6.809 -11.969 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.442 -5.379 -12.276 1.00 0.00 H new ATOM 1495 N TYR A 97 8.338 -1.691 -9.126 1.00 0.00 N ATOM 1496 CA TYR A 97 7.529 -0.480 -8.974 1.00 0.00 C ATOM 1497 C TYR A 97 8.132 0.339 -7.846 1.00 0.00 C ATOM 1498 O TYR A 97 9.103 -0.108 -7.256 1.00 0.00 O ATOM 1499 CB TYR A 97 6.039 -0.862 -8.743 1.00 0.00 C ATOM 1500 CG TYR A 97 5.667 -1.330 -7.329 1.00 0.00 C ATOM 1501 CD1 TYR A 97 5.827 -2.675 -6.993 1.00 0.00 C ATOM 1502 CD2 TYR A 97 5.127 -0.457 -6.375 1.00 0.00 C ATOM 1503 CE1 TYR A 97 5.407 -3.146 -5.749 1.00 0.00 C ATOM 1504 CE2 TYR A 97 4.680 -0.940 -5.139 1.00 0.00 C ATOM 1505 CZ TYR A 97 4.835 -2.289 -4.811 1.00 0.00 C ATOM 1506 OH TYR A 97 4.428 -2.794 -3.572 1.00 0.00 O ATOM 0 H TYR A 97 8.256 -2.344 -8.347 1.00 0.00 H new ATOM 0 HA TYR A 97 7.539 0.131 -9.876 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.422 0.002 -8.991 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.776 -1.653 -9.445 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.279 -3.355 -7.700 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.055 0.598 -6.595 1.00 0.00 H new ATOM 0 HE1 TYR A 97 5.527 -4.192 -5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 97 4.213 -0.266 -4.436 1.00 0.00 H new ATOM 0 HH TYR A 97 5.105 -2.586 -2.895 1.00 0.00 H new ATOM 1516 N HIS A 98 7.577 1.532 -7.533 1.00 0.00 N ATOM 1517 CA HIS A 98 8.041 2.350 -6.409 1.00 0.00 C ATOM 1518 C HIS A 98 6.816 2.841 -5.685 1.00 0.00 C ATOM 1519 O HIS A 98 5.772 2.905 -6.314 1.00 0.00 O ATOM 1520 CB HIS A 98 8.871 3.571 -6.895 1.00 0.00 C ATOM 1521 CG HIS A 98 8.860 4.760 -5.952 1.00 0.00 C ATOM 1522 ND1 HIS A 98 7.824 5.519 -5.655 1.00 0.00 N ATOM 1523 CD2 HIS A 98 9.935 5.220 -5.286 1.00 0.00 C ATOM 1524 CE1 HIS A 98 8.175 6.451 -4.828 1.00 0.00 C ATOM 1525 NE2 HIS A 98 9.393 6.336 -4.565 1.00 0.00 N ATOM 0 H HIS A 98 6.802 1.945 -8.052 1.00 0.00 H new ATOM 0 HA HIS A 98 8.685 1.753 -5.763 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.903 3.254 -7.047 1.00 0.00 H new ATOM 0 HB3 HIS A 98 8.489 3.890 -7.865 1.00 0.00 H new ATOM 0 HD2 HIS A 98 10.948 4.845 -5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.519 7.210 -4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 98 9.919 6.942 -3.935 1.00 0.00 H new ATOM 1533 N GLN A 99 6.907 3.208 -4.387 1.00 0.00 N ATOM 1534 CA GLN A 99 5.715 3.681 -3.687 1.00 0.00 C ATOM 1535 C GLN A 99 6.128 4.593 -2.557 1.00 0.00 C ATOM 1536 O GLN A 99 7.241 4.448 -2.078 1.00 0.00 O ATOM 1537 CB GLN A 99 4.925 2.420 -3.253 1.00 0.00 C ATOM 1538 CG GLN A 99 3.536 2.636 -2.598 1.00 0.00 C ATOM 1539 CD GLN A 99 3.625 3.227 -1.215 1.00 0.00 C ATOM 1540 OE1 GLN A 99 3.128 4.323 -1.019 1.00 0.00 O ATOM 1541 NE2 GLN A 99 4.239 2.524 -0.238 1.00 0.00 N ATOM 0 H GLN A 99 7.761 3.185 -3.830 1.00 0.00 H new ATOM 0 HA GLN A 99 5.057 4.286 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 99 4.788 1.790 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.544 1.860 -2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.940 3.293 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.012 1.682 -2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.642 1.610 -0.444 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.299 2.907 0.705 1.00 0.00 H new ATOM 1550 N THR A 100 5.260 5.540 -2.137 1.00 0.00 N ATOM 1551 CA THR A 100 5.589 6.436 -1.028 1.00 0.00 C ATOM 1552 C THR A 100 4.323 6.557 -0.208 1.00 0.00 C ATOM 1553 O THR A 100 3.421 7.252 -0.650 1.00 0.00 O ATOM 1554 CB THR A 100 6.063 7.810 -1.590 1.00 0.00 C ATOM 1555 OG1 THR A 100 5.444 8.007 -2.869 1.00 0.00 O ATOM 1556 CG2 THR A 100 7.608 7.896 -1.742 1.00 0.00 C ATOM 0 H THR A 100 4.340 5.696 -2.549 1.00 0.00 H new ATOM 0 HA THR A 100 6.403 6.060 -0.408 1.00 0.00 H new ATOM 0 HB THR A 100 5.772 8.586 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.728 8.868 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.881 8.874 -2.137 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.078 7.754 -0.769 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.950 7.120 -2.427 1.00 0.00 H new ATOM 1564 N SER A 101 4.212 5.877 0.961 1.00 0.00 N ATOM 1565 CA SER A 101 2.978 5.973 1.740 1.00 0.00 C ATOM 1566 C SER A 101 3.000 7.300 2.453 1.00 0.00 C ATOM 1567 O SER A 101 4.066 7.893 2.508 1.00 0.00 O ATOM 1568 CB SER A 101 2.731 4.783 2.705 1.00 0.00 C ATOM 1569 OG SER A 101 2.739 3.529 2.004 1.00 0.00 O ATOM 0 H SER A 101 4.937 5.282 1.363 1.00 0.00 H new ATOM 0 HA SER A 101 2.130 5.914 1.058 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.499 4.774 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.773 4.914 3.209 1.00 0.00 H new ATOM 0 HG SER A 101 1.817 3.247 1.828 1.00 0.00 H new ATOM 1575 N GLU A 102 1.860 7.800 2.983 1.00 0.00 N ATOM 1576 CA GLU A 102 1.861 9.144 3.556 1.00 0.00 C ATOM 1577 C GLU A 102 0.729 9.328 4.539 1.00 0.00 C ATOM 1578 O GLU A 102 -0.389 9.023 4.161 1.00 0.00 O ATOM 1579 CB GLU A 102 1.707 10.173 2.405 1.00 0.00 C ATOM 1580 CG GLU A 102 1.765 11.633 2.924 1.00 0.00 C ATOM 1581 CD GLU A 102 1.556 12.586 1.776 1.00 0.00 C ATOM 1582 OE1 GLU A 102 0.372 12.839 1.422 1.00 0.00 O ATOM 1583 OE2 GLU A 102 2.571 13.085 1.218 1.00 0.00 O ATOM 0 H GLU A 102 0.967 7.308 3.021 1.00 0.00 H new ATOM 0 HA GLU A 102 2.800 9.293 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.497 10.017 1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.759 10.007 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.000 11.790 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.728 11.823 3.397 1.00 0.00 H new ATOM 1590 N ILE A 103 0.981 9.836 5.771 1.00 0.00 N ATOM 1591 CA ILE A 103 -0.107 10.150 6.698 1.00 0.00 C ATOM 1592 C ILE A 103 -0.357 11.637 6.640 1.00 0.00 C ATOM 1593 O ILE A 103 0.592 12.369 6.410 1.00 0.00 O ATOM 1594 CB ILE A 103 0.233 9.655 8.134 1.00 0.00 C ATOM 1595 CG1 ILE A 103 0.127 8.106 8.205 1.00 0.00 C ATOM 1596 CG2 ILE A 103 -0.595 10.361 9.246 1.00 0.00 C ATOM 1597 CD1 ILE A 103 -1.298 7.572 8.498 1.00 0.00 C ATOM 0 H ILE A 103 1.915 10.030 6.131 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.021 9.630 6.410 1.00 0.00 H new ATOM 0 HB ILE A 103 1.265 9.938 8.338 1.00 0.00 H new ATOM 0 HG12 ILE A 103 0.471 7.687 7.259 1.00 0.00 H new ATOM 0 HG13 ILE A 103 0.803 7.743 8.979 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -0.306 9.967 10.220 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.403 11.434 9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.657 10.178 9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.279 6.483 8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.641 7.957 9.458 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.978 7.900 7.712 1.00 0.00 H new ATOM 1609 N VAL A 104 -1.622 12.089 6.835 1.00 0.00 N ATOM 1610 CA VAL A 104 -1.938 13.515 6.736 1.00 0.00 C ATOM 1611 C VAL A 104 -2.913 13.850 7.845 1.00 0.00 C ATOM 1612 O VAL A 104 -4.099 13.986 7.586 1.00 0.00 O ATOM 1613 CB VAL A 104 -2.488 13.862 5.319 1.00 0.00 C ATOM 1614 CG1 VAL A 104 -2.724 15.391 5.161 1.00 0.00 C ATOM 1615 CG2 VAL A 104 -1.522 13.366 4.209 1.00 0.00 C ATOM 0 H VAL A 104 -2.418 11.491 7.057 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.042 14.123 6.861 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.444 13.350 5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.107 15.599 4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.447 15.726 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.783 15.921 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.930 13.621 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.550 13.844 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.407 12.285 4.283 1.00 0.00 H new ATOM 1625 N GLY A 105 -2.422 13.986 9.099 1.00 0.00 N ATOM 1626 CA GLY A 105 -3.302 14.362 10.203 1.00 0.00 C ATOM 1627 C GLY A 105 -4.168 13.190 10.593 1.00 0.00 C ATOM 1628 O GLY A 105 -3.854 12.528 11.569 1.00 0.00 O ATOM 0 H GLY A 105 -1.445 13.843 9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -2.709 14.687 11.058 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.927 15.205 9.910 1.00 0.00 H new ATOM 1632 N ASP A 106 -5.258 12.926 9.833 1.00 0.00 N ATOM 1633 CA ASP A 106 -6.168 11.832 10.171 1.00 0.00 C ATOM 1634 C ASP A 106 -6.560 11.136 8.888 1.00 0.00 C ATOM 1635 O ASP A 106 -7.732 11.072 8.554 1.00 0.00 O ATOM 1636 CB ASP A 106 -7.381 12.426 10.931 1.00 0.00 C ATOM 1637 CG ASP A 106 -6.900 13.082 12.200 1.00 0.00 C ATOM 1638 OD1 ASP A 106 -6.784 12.369 13.233 1.00 0.00 O ATOM 1639 OD2 ASP A 106 -6.631 14.314 12.174 1.00 0.00 O ATOM 0 H ASP A 106 -5.516 13.452 8.998 1.00 0.00 H new ATOM 0 HA ASP A 106 -5.704 11.091 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.897 13.154 10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.099 11.640 11.164 1.00 0.00 H new ATOM 1644 N LYS A 107 -5.549 10.617 8.155 1.00 0.00 N ATOM 1645 CA LYS A 107 -5.803 10.037 6.836 1.00 0.00 C ATOM 1646 C LYS A 107 -4.554 9.318 6.390 1.00 0.00 C ATOM 1647 O LYS A 107 -3.489 9.836 6.683 1.00 0.00 O ATOM 1648 CB LYS A 107 -6.063 11.217 5.857 1.00 0.00 C ATOM 1649 CG LYS A 107 -6.449 10.775 4.421 1.00 0.00 C ATOM 1650 CD LYS A 107 -6.312 11.898 3.351 1.00 0.00 C ATOM 1651 CE LYS A 107 -7.211 13.147 3.594 1.00 0.00 C ATOM 1652 NZ LYS A 107 -6.539 14.233 4.351 1.00 0.00 N ATOM 0 H LYS A 107 -4.574 10.592 8.454 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.648 9.349 6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.861 11.841 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -5.168 11.837 5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.821 9.933 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.479 10.418 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.271 12.219 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.552 11.480 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.540 13.538 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.105 12.839 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.197 15.029 4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.248 13.877 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.701 14.555 3.826 1.00 0.00 H new ATOM 1666 N LEU A 108 -4.663 8.169 5.687 1.00 0.00 N ATOM 1667 CA LEU A 108 -3.492 7.525 5.104 1.00 0.00 C ATOM 1668 C LEU A 108 -3.684 7.692 3.615 1.00 0.00 C ATOM 1669 O LEU A 108 -4.800 7.522 3.153 1.00 0.00 O ATOM 1670 CB LEU A 108 -3.388 6.035 5.536 1.00 0.00 C ATOM 1671 CG LEU A 108 -2.372 5.207 4.695 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -0.907 5.500 5.122 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -2.651 3.686 4.829 1.00 0.00 C ATOM 0 H LEU A 108 -5.543 7.683 5.517 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.553 7.966 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.098 5.990 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.372 5.574 5.457 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.500 5.507 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.225 4.905 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.691 6.559 4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.776 5.242 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.928 3.130 4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.563 3.391 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.658 3.468 4.474 1.00 0.00 H new ATOM 1685 N VAL A 109 -2.622 8.030 2.854 1.00 0.00 N ATOM 1686 CA VAL A 109 -2.743 8.168 1.407 1.00 0.00 C ATOM 1687 C VAL A 109 -1.477 7.568 0.859 1.00 0.00 C ATOM 1688 O VAL A 109 -0.474 7.615 1.553 1.00 0.00 O ATOM 1689 CB VAL A 109 -2.970 9.646 0.953 1.00 0.00 C ATOM 1690 CG1 VAL A 109 -2.760 10.638 2.122 1.00 0.00 C ATOM 1691 CG2 VAL A 109 -2.086 10.068 -0.255 1.00 0.00 C ATOM 0 H VAL A 109 -1.687 8.208 3.221 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.626 7.656 1.025 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.008 9.687 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.926 11.656 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.464 10.412 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.741 10.546 2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.297 11.105 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.034 9.967 0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.307 9.428 -1.109 1.00 0.00 H new ATOM 1701 N GLU A 110 -1.512 6.994 -0.362 1.00 0.00 N ATOM 1702 CA GLU A 110 -0.319 6.350 -0.896 1.00 0.00 C ATOM 1703 C GLU A 110 -0.200 6.702 -2.352 1.00 0.00 C ATOM 1704 O GLU A 110 -1.177 7.195 -2.889 1.00 0.00 O ATOM 1705 CB GLU A 110 -0.396 4.816 -0.664 1.00 0.00 C ATOM 1706 CG GLU A 110 -0.847 4.455 0.777 1.00 0.00 C ATOM 1707 CD GLU A 110 -0.845 2.959 0.964 1.00 0.00 C ATOM 1708 OE1 GLU A 110 0.213 2.410 1.375 1.00 0.00 O ATOM 1709 OE2 GLU A 110 -1.900 2.319 0.701 1.00 0.00 O ATOM 0 H GLU A 110 -2.330 6.968 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 110 0.575 6.703 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.092 4.378 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.581 4.373 -0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.179 4.920 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.845 4.851 0.963 1.00 0.00 H new ATOM 1716 N VAL A 111 0.972 6.476 -2.988 1.00 0.00 N ATOM 1717 CA VAL A 111 1.121 6.830 -4.398 1.00 0.00 C ATOM 1718 C VAL A 111 2.082 5.836 -5.022 1.00 0.00 C ATOM 1719 O VAL A 111 3.281 5.981 -4.855 1.00 0.00 O ATOM 1720 CB VAL A 111 1.431 8.352 -4.524 1.00 0.00 C ATOM 1721 CG1 VAL A 111 2.769 8.765 -3.870 1.00 0.00 C ATOM 1722 CG2 VAL A 111 1.422 8.810 -6.003 1.00 0.00 C ATOM 0 H VAL A 111 1.798 6.063 -2.555 1.00 0.00 H new ATOM 0 HA VAL A 111 0.210 6.731 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 111 0.631 8.852 -3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.920 9.837 -3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.744 8.524 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.588 8.225 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.642 9.876 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.178 8.256 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.440 8.620 -6.437 1.00 0.00 H new ATOM 1732 N SER A 112 1.567 4.794 -5.723 1.00 0.00 N ATOM 1733 CA SER A 112 2.441 3.759 -6.288 1.00 0.00 C ATOM 1734 C SER A 112 3.101 4.325 -7.519 1.00 0.00 C ATOM 1735 O SER A 112 2.773 5.442 -7.877 1.00 0.00 O ATOM 1736 CB SER A 112 1.660 2.459 -6.614 1.00 0.00 C ATOM 1737 OG SER A 112 2.459 1.285 -6.414 1.00 0.00 O ATOM 0 H SER A 112 0.572 4.658 -5.903 1.00 0.00 H new ATOM 0 HA SER A 112 3.197 3.481 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.771 2.403 -5.986 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.318 2.492 -7.648 1.00 0.00 H new ATOM 0 HG SER A 112 2.140 0.568 -7.001 1.00 0.00 H new ATOM 1743 N THR A 113 4.024 3.599 -8.186 1.00 0.00 N ATOM 1744 CA THR A 113 4.702 4.176 -9.347 1.00 0.00 C ATOM 1745 C THR A 113 5.397 3.116 -10.155 1.00 0.00 C ATOM 1746 O THR A 113 5.900 2.203 -9.529 1.00 0.00 O ATOM 1747 CB THR A 113 5.774 5.175 -8.849 1.00 0.00 C ATOM 1748 OG1 THR A 113 5.188 6.356 -8.278 1.00 0.00 O ATOM 1749 CG2 THR A 113 6.829 5.537 -9.920 1.00 0.00 C ATOM 0 H THR A 113 4.304 2.648 -7.946 1.00 0.00 H new ATOM 0 HA THR A 113 3.955 4.666 -9.971 1.00 0.00 H new ATOM 0 HB THR A 113 6.310 4.649 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.212 6.307 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.547 6.241 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.350 4.634 -10.238 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.335 5.992 -10.778 1.00 0.00 H new ATOM 1757 N ILE A 114 5.469 3.202 -11.503 1.00 0.00 N ATOM 1758 CA ILE A 114 6.133 2.137 -12.251 1.00 0.00 C ATOM 1759 C ILE A 114 6.630 2.643 -13.587 1.00 0.00 C ATOM 1760 O ILE A 114 6.177 2.228 -14.641 1.00 0.00 O ATOM 1761 CB ILE A 114 5.210 0.889 -12.307 1.00 0.00 C ATOM 1762 CG1 ILE A 114 6.002 -0.347 -12.808 1.00 0.00 C ATOM 1763 CG2 ILE A 114 3.894 1.151 -13.087 1.00 0.00 C ATOM 1764 CD1 ILE A 114 5.146 -1.628 -12.760 1.00 0.00 C ATOM 0 H ILE A 114 5.091 3.965 -12.065 1.00 0.00 H new ATOM 0 HA ILE A 114 7.038 1.810 -11.739 1.00 0.00 H new ATOM 0 HB ILE A 114 4.880 0.664 -11.293 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.341 -0.173 -13.829 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.893 -0.481 -12.195 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.288 0.245 -13.094 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.339 1.955 -12.604 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.129 1.438 -14.112 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.735 -2.473 -13.118 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.829 -1.816 -11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.268 -1.503 -13.394 1.00 0.00 H new ATOM 1776 N GLY A 115 7.611 3.568 -13.522 1.00 0.00 N ATOM 1777 CA GLY A 115 8.244 4.086 -14.730 1.00 0.00 C ATOM 1778 C GLY A 115 7.236 4.518 -15.766 1.00 0.00 C ATOM 1779 O GLY A 115 7.422 4.201 -16.930 1.00 0.00 O ATOM 0 H GLY A 115 7.971 3.961 -12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 115 8.879 4.933 -14.470 1.00 0.00 H new ATOM 0 HA3 GLY A 115 8.892 3.320 -15.155 1.00 0.00 H new ATOM 1783 N GLY A 116 6.170 5.250 -15.365 1.00 0.00 N ATOM 1784 CA GLY A 116 5.197 5.717 -16.349 1.00 0.00 C ATOM 1785 C GLY A 116 3.832 5.942 -15.745 1.00 0.00 C ATOM 1786 O GLY A 116 3.221 6.956 -16.047 1.00 0.00 O ATOM 0 H GLY A 116 5.975 5.517 -14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.552 6.646 -16.795 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.119 4.987 -17.154 1.00 0.00 H new ATOM 1790 N VAL A 117 3.343 4.990 -14.915 1.00 0.00 N ATOM 1791 CA VAL A 117 1.980 5.066 -14.385 1.00 0.00 C ATOM 1792 C VAL A 117 2.037 5.135 -12.877 1.00 0.00 C ATOM 1793 O VAL A 117 3.046 4.739 -12.317 1.00 0.00 O ATOM 1794 CB VAL A 117 1.189 3.838 -14.921 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -0.237 3.717 -14.325 1.00 0.00 C ATOM 1796 CG2 VAL A 117 1.100 3.922 -16.472 1.00 0.00 C ATOM 0 H VAL A 117 3.872 4.174 -14.607 1.00 0.00 H new ATOM 0 HA VAL A 117 1.460 5.965 -14.715 1.00 0.00 H new ATOM 0 HB VAL A 117 1.735 2.947 -14.609 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -0.732 2.840 -14.741 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -0.171 3.616 -13.242 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -0.812 4.610 -14.572 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.546 3.063 -16.852 1.00 0.00 H new ATOM 0 HG22 VAL A 117 0.586 4.840 -16.758 1.00 0.00 H new ATOM 0 HG23 VAL A 117 2.105 3.922 -16.895 1.00 0.00 H new ATOM 1806 N THR A 118 0.966 5.651 -12.226 1.00 0.00 N ATOM 1807 CA THR A 118 0.954 5.848 -10.777 1.00 0.00 C ATOM 1808 C THR A 118 -0.326 5.255 -10.232 1.00 0.00 C ATOM 1809 O THR A 118 -1.164 4.893 -11.038 1.00 0.00 O ATOM 1810 CB THR A 118 1.046 7.389 -10.577 1.00 0.00 C ATOM 1811 OG1 THR A 118 2.355 7.787 -11.025 1.00 0.00 O ATOM 1812 CG2 THR A 118 0.794 7.859 -9.125 1.00 0.00 C ATOM 0 H THR A 118 0.104 5.935 -12.692 1.00 0.00 H new ATOM 0 HA THR A 118 1.774 5.361 -10.249 1.00 0.00 H new ATOM 0 HB THR A 118 0.252 7.863 -11.154 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.457 8.756 -10.918 1.00 0.00 H new ATOM 0 HG21 THR A 118 0.877 8.945 -9.074 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.206 7.557 -8.813 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.533 7.407 -8.463 1.00 0.00 H new ATOM 1820 N TYR A 119 -0.509 5.148 -8.896 1.00 0.00 N ATOM 1821 CA TYR A 119 -1.828 4.827 -8.341 1.00 0.00 C ATOM 1822 C TYR A 119 -1.998 5.586 -7.041 1.00 0.00 C ATOM 1823 O TYR A 119 -1.613 5.057 -6.009 1.00 0.00 O ATOM 1824 CB TYR A 119 -1.941 3.302 -8.093 1.00 0.00 C ATOM 1825 CG TYR A 119 -3.091 2.854 -7.175 1.00 0.00 C ATOM 1826 CD1 TYR A 119 -4.216 3.645 -6.910 1.00 0.00 C ATOM 1827 CD2 TYR A 119 -3.000 1.592 -6.576 1.00 0.00 C ATOM 1828 CE1 TYR A 119 -5.149 3.247 -5.948 1.00 0.00 C ATOM 1829 CE2 TYR A 119 -3.985 1.152 -5.689 1.00 0.00 C ATOM 1830 CZ TYR A 119 -5.067 1.975 -5.372 1.00 0.00 C ATOM 1831 OH TYR A 119 -6.038 1.507 -4.485 1.00 0.00 O ATOM 0 H TYR A 119 0.227 5.277 -8.202 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.611 5.117 -9.042 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -2.056 2.804 -9.056 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.002 2.953 -7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -4.364 4.568 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.160 0.952 -6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -5.936 3.924 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -3.909 0.170 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.823 1.205 -4.988 1.00 0.00 H new ATOM 1841 N GLU A 120 -2.576 6.813 -7.063 1.00 0.00 N ATOM 1842 CA GLU A 120 -2.789 7.559 -5.821 1.00 0.00 C ATOM 1843 C GLU A 120 -4.062 7.119 -5.133 1.00 0.00 C ATOM 1844 O GLU A 120 -4.959 6.661 -5.824 1.00 0.00 O ATOM 1845 CB GLU A 120 -2.705 9.087 -6.069 1.00 0.00 C ATOM 1846 CG GLU A 120 -2.693 9.918 -4.761 1.00 0.00 C ATOM 1847 CD GLU A 120 -2.504 11.377 -5.088 1.00 0.00 C ATOM 1848 OE1 GLU A 120 -3.518 12.050 -5.421 1.00 0.00 O ATOM 1849 OE2 GLU A 120 -1.341 11.861 -5.019 1.00 0.00 O ATOM 0 H GLU A 120 -2.892 7.288 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.982 7.326 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.803 9.307 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.552 9.396 -6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.628 9.775 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.891 9.575 -4.108 1.00 0.00 H new ATOM 1856 N ARG A 121 -4.154 7.228 -3.782 1.00 0.00 N ATOM 1857 CA ARG A 121 -5.324 6.709 -3.068 1.00 0.00 C ATOM 1858 C ARG A 121 -5.510 7.506 -1.797 1.00 0.00 C ATOM 1859 O ARG A 121 -4.610 8.254 -1.449 1.00 0.00 O ATOM 1860 CB ARG A 121 -5.177 5.196 -2.706 1.00 0.00 C ATOM 1861 CG ARG A 121 -3.778 4.618 -3.058 1.00 0.00 C ATOM 1862 CD ARG A 121 -3.563 3.192 -2.479 1.00 0.00 C ATOM 1863 NE ARG A 121 -2.303 2.604 -2.942 1.00 0.00 N ATOM 1864 CZ ARG A 121 -1.866 1.424 -2.553 1.00 0.00 C ATOM 1865 NH1 ARG A 121 -2.536 0.654 -1.726 1.00 0.00 N ATOM 1866 NH2 ARG A 121 -0.711 0.995 -3.010 1.00 0.00 N ATOM 0 H ARG A 121 -3.446 7.661 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 121 -6.188 6.807 -3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.360 5.064 -1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.942 4.626 -3.234 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -3.662 4.588 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -3.006 5.284 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.565 3.237 -1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.394 2.551 -2.773 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.734 3.137 -3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.435 0.963 -1.357 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.157 -0.253 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -0.171 1.573 -3.654 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.355 0.084 -2.721 1.00 0.00 H new ATOM 1880 N VAL A 122 -6.660 7.339 -1.101 1.00 0.00 N ATOM 1881 CA VAL A 122 -6.896 8.065 0.143 1.00 0.00 C ATOM 1882 C VAL A 122 -7.475 7.069 1.117 1.00 0.00 C ATOM 1883 O VAL A 122 -8.677 7.038 1.327 1.00 0.00 O ATOM 1884 CB VAL A 122 -7.782 9.328 -0.089 1.00 0.00 C ATOM 1885 CG1 VAL A 122 -6.956 10.477 -0.732 1.00 0.00 C ATOM 1886 CG2 VAL A 122 -9.021 9.044 -0.982 1.00 0.00 C ATOM 0 H VAL A 122 -7.418 6.717 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.974 8.471 0.558 1.00 0.00 H new ATOM 0 HB VAL A 122 -8.137 9.625 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -7.597 11.345 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -6.131 10.745 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -6.560 10.147 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -9.597 9.961 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -8.692 8.687 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -9.644 8.285 -0.509 1.00 0.00 H new ATOM 1896 N SER A 123 -6.605 6.232 1.728 1.00 0.00 N ATOM 1897 CA SER A 123 -7.089 5.282 2.711 1.00 0.00 C ATOM 1898 C SER A 123 -7.477 6.131 3.898 1.00 0.00 C ATOM 1899 O SER A 123 -6.629 6.382 4.737 1.00 0.00 O ATOM 1900 CB SER A 123 -5.994 4.219 2.970 1.00 0.00 C ATOM 1901 OG SER A 123 -5.636 3.610 1.717 1.00 0.00 O ATOM 0 H SER A 123 -5.600 6.206 1.555 1.00 0.00 H new ATOM 0 HA SER A 123 -7.956 4.696 2.406 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.120 4.681 3.429 1.00 0.00 H new ATOM 0 HB3 SER A 123 -6.358 3.464 3.667 1.00 0.00 H new ATOM 0 HG SER A 123 -4.941 2.935 1.868 1.00 0.00 H new ATOM 1907 N LYS A 124 -8.736 6.623 3.983 1.00 0.00 N ATOM 1908 CA LYS A 124 -9.079 7.558 5.058 1.00 0.00 C ATOM 1909 C LYS A 124 -9.070 6.809 6.367 1.00 0.00 C ATOM 1910 O LYS A 124 -8.952 5.600 6.284 1.00 0.00 O ATOM 1911 CB LYS A 124 -10.414 8.301 4.806 1.00 0.00 C ATOM 1912 CG LYS A 124 -10.378 9.044 3.445 1.00 0.00 C ATOM 1913 CD LYS A 124 -11.351 10.247 3.428 1.00 0.00 C ATOM 1914 CE LYS A 124 -12.814 9.836 3.755 1.00 0.00 C ATOM 1915 NZ LYS A 124 -13.766 10.921 3.425 1.00 0.00 N ATOM 0 H LYS A 124 -9.497 6.394 3.344 1.00 0.00 H new ATOM 0 HA LYS A 124 -8.329 8.348 5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -11.240 7.590 4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.597 9.013 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -9.364 9.392 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -10.640 8.352 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -11.016 10.991 4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.321 10.720 2.447 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -13.075 8.938 3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -12.896 9.587 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -14.250 11.233 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -13.249 11.722 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -14.469 10.571 2.743 1.00 0.00 H new ATOM 1929 N ARG A 125 -9.192 7.456 7.555 1.00 0.00 N ATOM 1930 CA ARG A 125 -9.036 6.750 8.833 1.00 0.00 C ATOM 1931 C ARG A 125 -10.419 6.642 9.434 1.00 0.00 C ATOM 1932 O ARG A 125 -10.943 7.649 9.877 1.00 0.00 O ATOM 1933 CB ARG A 125 -7.919 7.389 9.715 1.00 0.00 C ATOM 1934 CG ARG A 125 -8.287 8.622 10.596 1.00 0.00 C ATOM 1935 CD ARG A 125 -8.514 8.286 12.100 1.00 0.00 C ATOM 1936 NE ARG A 125 -9.634 7.380 12.376 1.00 0.00 N ATOM 1937 CZ ARG A 125 -10.880 7.773 12.547 1.00 0.00 C ATOM 1938 NH1 ARG A 125 -11.281 9.011 12.367 1.00 0.00 N ATOM 1939 NH2 ARG A 125 -11.774 6.881 12.912 1.00 0.00 N ATOM 0 H ARG A 125 -9.395 8.452 7.644 1.00 0.00 H new ATOM 0 HA ARG A 125 -8.658 5.734 8.718 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -7.532 6.613 10.375 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.103 7.683 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -7.491 9.362 10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -9.191 9.083 10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -7.602 7.842 12.498 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.678 9.217 12.643 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.436 6.382 12.440 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -10.613 9.727 12.080 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -12.260 9.257 12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -11.496 5.910 13.056 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -12.745 7.160 13.051 1.00 0.00 H new ATOM 1953 N LEU A 126 -11.037 5.437 9.404 1.00 0.00 N ATOM 1954 CA LEU A 126 -12.449 5.268 9.745 1.00 0.00 C ATOM 1955 C LEU A 126 -12.733 3.779 9.712 1.00 0.00 C ATOM 1956 O LEU A 126 -11.779 3.035 9.881 1.00 0.00 O ATOM 1957 CB LEU A 126 -13.371 6.134 8.832 1.00 0.00 C ATOM 1958 CG LEU A 126 -13.471 5.675 7.346 1.00 0.00 C ATOM 1959 CD1 LEU A 126 -14.250 6.748 6.544 1.00 0.00 C ATOM 1960 CD2 LEU A 126 -12.075 5.493 6.712 1.00 0.00 C ATOM 0 H LEU A 126 -10.567 4.570 9.144 1.00 0.00 H new ATOM 0 HA LEU A 126 -12.672 5.639 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -14.374 6.140 9.260 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.010 7.162 8.852 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.986 4.715 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -14.327 6.439 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -15.250 6.861 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -13.722 7.700 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.185 5.173 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.535 6.439 6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -11.518 4.739 7.268 1.00 0.00 H new ATOM 1972 N ALA A 127 -13.981 3.312 9.494 1.00 0.00 N ATOM 1973 CA ALA A 127 -14.228 1.875 9.386 1.00 0.00 C ATOM 1974 C ALA A 127 -13.576 1.134 10.525 1.00 0.00 C ATOM 1975 O ALA A 127 -14.163 0.253 11.131 1.00 0.00 O ATOM 1976 CB ALA A 127 -13.683 1.384 8.022 1.00 0.00 C ATOM 0 H ALA A 127 -14.809 3.900 9.393 1.00 0.00 H new ATOM 0 HA ALA A 127 -15.299 1.679 9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -13.859 0.313 7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -14.193 1.911 7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.613 1.583 7.965 1.00 0.00 H new TER 1982 ALA A 127