USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 81 SER OG : rot 20:sc= 1.04 USER MOD Set 1.2: A 86 HIS : no HE2:sc= -0.918! K(o=0.12!,f=-1.3) USER MOD Set 2.1: A 45 SER OG : rot -150:sc= -1.58 USER MOD Set 2.2: A 49 GLN : amide:sc= 0.0911 K(o=-1.5,f=-0.18) USER MOD Single : A 26 MET CE :methyl 168:sc= -1.92 (180deg=-2.3) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 0.712 (180deg=-0.0208) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0166) USER MOD Single : A 32 THR OG1 : rot -47:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0188) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 46 SER OG : rot -160:sc= -1.21 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.138) USER MOD Single : A 55 SER OG : rot -44:sc= 1.15 USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0.432 (180deg=0.132) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0691 (180deg=-0.332) USER MOD Single : A 60 SER OG : rot 69:sc= 0.757 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.000491 X(o=-0.00049,f=-0.00049) USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= 0.609 (180deg=0.0669) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0485 (180deg=-0.277) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.649 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.8!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.0012) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -11.655 13.500 5.113 1.00 0.00 N ATOM 38 CA ILE A 25 -10.570 12.589 5.524 1.00 0.00 C ATOM 39 C ILE A 25 -9.777 12.202 4.261 1.00 0.00 C ATOM 40 O ILE A 25 -10.310 12.286 3.142 1.00 0.00 O ATOM 41 CB ILE A 25 -11.175 11.334 6.264 1.00 0.00 C ATOM 42 CG1 ILE A 25 -10.081 10.559 7.046 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.936 10.394 5.298 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.613 9.465 7.937 1.00 0.00 C ATOM 0 HA ILE A 25 -9.893 13.070 6.229 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.902 11.713 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.381 10.123 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.517 11.265 7.655 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.334 9.545 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.757 10.939 4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.254 10.035 4.527 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.783 8.975 8.446 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.289 9.894 8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.152 8.734 7.334 1.00 0.00 H new ATOM 56 N MET A 26 -8.520 11.769 4.412 1.00 0.00 N ATOM 57 CA MET A 26 -7.633 11.594 3.254 1.00 0.00 C ATOM 58 C MET A 26 -7.964 10.252 2.570 1.00 0.00 C ATOM 59 O MET A 26 -7.635 9.170 3.079 1.00 0.00 O ATOM 60 CB MET A 26 -6.147 11.674 3.710 1.00 0.00 C ATOM 61 CG MET A 26 -5.132 11.780 2.580 1.00 0.00 C ATOM 62 SD MET A 26 -3.451 12.146 3.157 1.00 0.00 S ATOM 63 CE MET A 26 -3.014 10.680 4.087 1.00 0.00 C ATOM 0 H MET A 26 -8.098 11.536 5.311 1.00 0.00 H new ATOM 0 HA MET A 26 -7.788 12.391 2.527 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.030 12.537 4.366 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.917 10.789 4.303 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.121 10.844 2.022 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.449 12.560 1.888 1.00 0.00 H new ATOM 0 HE1 MET A 26 -1.946 10.693 4.306 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.576 10.661 5.021 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.254 9.793 3.501 1.00 0.00 H new ATOM 73 N LYS A 27 -8.687 10.360 1.432 1.00 0.00 N ATOM 74 CA LYS A 27 -9.181 9.214 0.654 1.00 0.00 C ATOM 75 C LYS A 27 -8.062 8.714 -0.270 1.00 0.00 C ATOM 76 O LYS A 27 -7.911 9.189 -1.411 1.00 0.00 O ATOM 77 CB LYS A 27 -10.437 9.605 -0.188 1.00 0.00 C ATOM 78 CG LYS A 27 -11.539 10.389 0.567 1.00 0.00 C ATOM 79 CD LYS A 27 -12.127 9.640 1.786 1.00 0.00 C ATOM 80 CE LYS A 27 -12.773 8.279 1.436 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.819 8.399 0.385 1.00 0.00 N ATOM 0 H LYS A 27 -8.944 11.260 1.028 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.474 8.422 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.109 10.204 -1.038 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.878 8.694 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.127 11.340 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.346 10.619 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.334 9.477 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.875 10.274 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.000 7.590 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.213 7.847 2.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.673 7.888 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.050 9.402 0.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.466 7.991 -0.504 1.00 0.00 H new ATOM 95 N VAL A 28 -7.261 7.779 0.250 1.00 0.00 N ATOM 96 CA VAL A 28 -6.058 7.301 -0.435 1.00 0.00 C ATOM 97 C VAL A 28 -6.354 5.993 -1.166 1.00 0.00 C ATOM 98 O VAL A 28 -6.537 4.946 -0.535 1.00 0.00 O ATOM 99 CB VAL A 28 -4.874 7.081 0.569 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.570 6.750 -0.187 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.712 8.302 1.493 1.00 0.00 C ATOM 0 H VAL A 28 -7.428 7.335 1.153 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.761 8.066 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.107 6.224 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.762 6.601 0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.709 5.840 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.317 7.574 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.885 8.130 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.505 9.188 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.631 8.454 2.059 1.00 0.00 H new ATOM 111 N THR A 29 -6.375 6.062 -2.496 1.00 0.00 N ATOM 112 CA THR A 29 -6.578 4.893 -3.335 1.00 0.00 C ATOM 113 C THR A 29 -5.232 4.181 -3.528 1.00 0.00 C ATOM 114 O THR A 29 -4.265 4.788 -3.960 1.00 0.00 O ATOM 115 CB THR A 29 -7.170 5.318 -4.717 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.406 6.036 -4.518 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.422 4.104 -5.622 1.00 0.00 C ATOM 0 H THR A 29 -6.252 6.930 -3.017 1.00 0.00 H new ATOM 0 HA THR A 29 -7.284 4.215 -2.856 1.00 0.00 H new ATOM 0 HB THR A 29 -6.440 5.961 -5.209 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.773 6.302 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.834 4.439 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.483 3.580 -5.797 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.129 3.430 -5.138 1.00 0.00 H new ATOM 125 N VAL A 30 -5.171 2.912 -3.136 1.00 0.00 N ATOM 126 CA VAL A 30 -4.010 2.045 -3.370 1.00 0.00 C ATOM 127 C VAL A 30 -4.351 1.055 -4.489 1.00 0.00 C ATOM 128 O VAL A 30 -5.407 0.414 -4.464 1.00 0.00 O ATOM 129 CB VAL A 30 -3.600 1.297 -2.054 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.521 0.228 -2.305 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.120 2.310 -0.990 1.00 0.00 C ATOM 0 H VAL A 30 -5.932 2.447 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.156 2.650 -3.675 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.485 0.780 -1.684 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.270 -0.263 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.899 -0.512 -3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.630 0.701 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.838 1.778 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.258 2.858 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.924 3.010 -0.765 1.00 0.00 H new ATOM 141 N LYS A 31 -3.444 0.936 -5.471 1.00 0.00 N ATOM 142 CA LYS A 31 -3.649 0.112 -6.669 1.00 0.00 C ATOM 143 C LYS A 31 -2.481 -0.892 -6.779 1.00 0.00 C ATOM 144 O LYS A 31 -1.308 -0.523 -6.649 1.00 0.00 O ATOM 145 CB LYS A 31 -3.767 1.040 -7.923 1.00 0.00 C ATOM 146 CG LYS A 31 -4.540 0.458 -9.139 1.00 0.00 C ATOM 147 CD LYS A 31 -3.778 -0.641 -9.911 1.00 0.00 C ATOM 148 CE LYS A 31 -4.590 -1.229 -11.078 1.00 0.00 C ATOM 149 NZ LYS A 31 -4.849 -0.230 -12.135 1.00 0.00 N ATOM 0 H LYS A 31 -2.542 1.413 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 31 -4.576 -0.458 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.255 1.966 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.761 1.302 -8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.488 0.049 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.777 1.270 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.846 -0.227 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.510 -1.442 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.051 -2.075 -11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.539 -1.612 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.339 -0.686 -12.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.444 0.533 -11.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.947 0.167 -12.466 1.00 0.00 H new ATOM 163 N THR A 32 -2.846 -2.156 -6.996 1.00 0.00 N ATOM 164 CA THR A 32 -1.925 -3.300 -7.071 1.00 0.00 C ATOM 165 C THR A 32 -1.967 -3.894 -8.490 1.00 0.00 C ATOM 166 O THR A 32 -2.914 -3.618 -9.234 1.00 0.00 O ATOM 167 CB THR A 32 -2.345 -4.400 -6.032 1.00 0.00 C ATOM 168 OG1 THR A 32 -3.616 -4.970 -6.380 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.440 -3.831 -4.626 1.00 0.00 C ATOM 0 H THR A 32 -3.821 -2.425 -7.129 1.00 0.00 H new ATOM 0 HA THR A 32 -0.915 -2.962 -6.841 1.00 0.00 H new ATOM 0 HB THR A 32 -1.573 -5.169 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.251 -4.252 -6.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.733 -4.620 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.471 -3.429 -4.330 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.184 -3.035 -4.605 1.00 0.00 H new ATOM 177 N PRO A 33 -0.975 -4.755 -8.892 1.00 0.00 N ATOM 178 CA PRO A 33 -1.038 -5.482 -10.188 1.00 0.00 C ATOM 179 C PRO A 33 -2.207 -6.511 -10.273 1.00 0.00 C ATOM 180 O PRO A 33 -2.333 -7.220 -11.275 1.00 0.00 O ATOM 181 CB PRO A 33 0.353 -6.168 -10.271 1.00 0.00 C ATOM 182 CG PRO A 33 0.814 -6.285 -8.849 1.00 0.00 C ATOM 183 CD PRO A 33 0.301 -5.046 -8.167 1.00 0.00 C ATOM 0 HA PRO A 33 -1.244 -4.812 -11.023 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.282 -7.147 -10.745 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.050 -5.576 -10.864 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.419 -7.186 -8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.901 -6.346 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.130 -5.214 -7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 33 1.007 -4.220 -8.249 1.00 0.00 H new ATOM 191 N LYS A 34 -3.057 -6.587 -9.217 1.00 0.00 N ATOM 192 CA LYS A 34 -4.257 -7.444 -9.185 1.00 0.00 C ATOM 193 C LYS A 34 -5.532 -6.575 -9.320 1.00 0.00 C ATOM 194 O LYS A 34 -6.283 -6.705 -10.289 1.00 0.00 O ATOM 195 CB LYS A 34 -4.307 -8.286 -7.866 1.00 0.00 C ATOM 196 CG LYS A 34 -3.084 -9.223 -7.631 1.00 0.00 C ATOM 197 CD LYS A 34 -1.850 -8.506 -7.011 1.00 0.00 C ATOM 198 CE LYS A 34 -0.593 -9.400 -6.975 1.00 0.00 C ATOM 199 NZ LYS A 34 -0.830 -10.693 -6.285 1.00 0.00 N ATOM 0 H LYS A 34 -2.923 -6.049 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.209 -8.136 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.389 -7.603 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.213 -8.892 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.385 -10.039 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.793 -9.669 -8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.633 -7.605 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.092 -8.187 -5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.260 -9.593 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.213 -8.866 -6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.065 -11.218 -6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.203 -10.514 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.518 -11.254 -6.826 1.00 0.00 H new ATOM 213 N GLU A 35 -5.736 -5.658 -8.351 1.00 0.00 N ATOM 214 CA GLU A 35 -6.981 -4.847 -8.213 1.00 0.00 C ATOM 215 C GLU A 35 -6.676 -3.517 -7.487 1.00 0.00 C ATOM 216 O GLU A 35 -5.524 -3.106 -7.419 1.00 0.00 O ATOM 217 CB GLU A 35 -8.044 -5.664 -7.420 1.00 0.00 C ATOM 218 CG GLU A 35 -7.580 -6.081 -6.005 1.00 0.00 C ATOM 219 CD GLU A 35 -8.651 -6.814 -5.190 1.00 0.00 C ATOM 220 OE1 GLU A 35 -8.924 -7.993 -5.488 1.00 0.00 O ATOM 221 OE2 GLU A 35 -9.186 -6.240 -4.213 1.00 0.00 O ATOM 0 H GLU A 35 -5.041 -5.452 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.371 -4.615 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.955 -5.071 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.299 -6.559 -7.988 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.704 -6.723 -6.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.268 -5.191 -5.459 1.00 0.00 H new ATOM 228 N LYS A 36 -7.717 -2.846 -6.959 1.00 0.00 N ATOM 229 CA LYS A 36 -7.565 -1.610 -6.154 1.00 0.00 C ATOM 230 C LYS A 36 -8.492 -1.618 -4.919 1.00 0.00 C ATOM 231 O LYS A 36 -9.527 -2.291 -4.904 1.00 0.00 O ATOM 232 CB LYS A 36 -7.857 -0.359 -7.031 1.00 0.00 C ATOM 233 CG LYS A 36 -9.283 -0.338 -7.635 1.00 0.00 C ATOM 234 CD LYS A 36 -9.574 0.894 -8.519 1.00 0.00 C ATOM 235 CE LYS A 36 -9.515 2.214 -7.746 1.00 0.00 C ATOM 236 NZ LYS A 36 -9.953 3.370 -8.569 1.00 0.00 N ATOM 0 H LYS A 36 -8.686 -3.141 -7.076 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.535 -1.570 -5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.715 0.537 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.129 -0.317 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.428 -1.240 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.010 -0.370 -6.824 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.854 0.926 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.561 0.787 -8.968 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.146 2.142 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.496 2.384 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.896 4.241 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.336 3.457 -9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.935 3.223 -8.880 1.00 0.00 H new ATOM 250 N GLU A 37 -8.089 -0.857 -3.891 1.00 0.00 N ATOM 251 CA GLU A 37 -8.885 -0.589 -2.676 1.00 0.00 C ATOM 252 C GLU A 37 -8.638 0.867 -2.262 1.00 0.00 C ATOM 253 O GLU A 37 -7.498 1.341 -2.319 1.00 0.00 O ATOM 254 CB GLU A 37 -8.477 -1.557 -1.524 1.00 0.00 C ATOM 255 CG GLU A 37 -9.128 -1.288 -0.146 1.00 0.00 C ATOM 256 CD GLU A 37 -10.655 -1.492 -0.111 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.106 -2.646 0.070 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.409 -0.499 -0.251 1.00 0.00 O ATOM 0 H GLU A 37 -7.178 -0.398 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.943 -0.751 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.724 -2.574 -1.827 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.394 -1.513 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.669 -1.945 0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.904 -0.264 0.154 1.00 0.00 H new ATOM 265 N GLU A 38 -9.701 1.571 -1.845 1.00 0.00 N ATOM 266 CA GLU A 38 -9.620 2.972 -1.425 1.00 0.00 C ATOM 267 C GLU A 38 -9.747 3.044 0.102 1.00 0.00 C ATOM 268 O GLU A 38 -10.630 2.421 0.691 1.00 0.00 O ATOM 269 CB GLU A 38 -10.722 3.814 -2.098 1.00 0.00 C ATOM 270 CG GLU A 38 -10.605 5.332 -1.839 1.00 0.00 C ATOM 271 CD GLU A 38 -11.774 6.131 -2.435 1.00 0.00 C ATOM 272 OE1 GLU A 38 -11.937 6.113 -3.673 1.00 0.00 O ATOM 273 OE2 GLU A 38 -12.514 6.791 -1.677 1.00 0.00 O ATOM 0 H GLU A 38 -10.642 1.181 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.658 3.382 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.694 3.637 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.694 3.470 -1.744 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.560 5.510 -0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.669 5.697 -2.262 1.00 0.00 H new ATOM 280 N PHE A 39 -8.852 3.818 0.719 1.00 0.00 N ATOM 281 CA PHE A 39 -8.720 3.946 2.176 1.00 0.00 C ATOM 282 C PHE A 39 -9.163 5.340 2.626 1.00 0.00 C ATOM 283 O PHE A 39 -9.308 6.247 1.807 1.00 0.00 O ATOM 284 CB PHE A 39 -7.259 3.668 2.604 1.00 0.00 C ATOM 285 CG PHE A 39 -6.804 2.250 2.263 1.00 0.00 C ATOM 286 CD1 PHE A 39 -6.329 1.935 0.991 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.880 1.228 3.205 1.00 0.00 C ATOM 288 CE1 PHE A 39 -5.952 0.648 0.674 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.507 -0.058 2.882 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.035 -0.347 1.619 1.00 0.00 C ATOM 0 H PHE A 39 -8.180 4.389 0.207 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.365 3.211 2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.599 4.384 2.115 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.163 3.828 3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.255 2.711 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.236 1.446 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.591 0.421 -0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.584 -0.842 3.620 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.731 -1.354 1.373 1.00 0.00 H new ATOM 300 N ALA A 40 -9.410 5.478 3.930 1.00 0.00 N ATOM 301 CA ALA A 40 -9.783 6.741 4.565 1.00 0.00 C ATOM 302 C ALA A 40 -8.967 6.877 5.852 1.00 0.00 C ATOM 303 O ALA A 40 -9.223 6.173 6.837 1.00 0.00 O ATOM 304 CB ALA A 40 -11.294 6.765 4.829 1.00 0.00 C ATOM 0 H ALA A 40 -9.355 4.699 4.586 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.563 7.590 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.566 7.709 5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.830 6.665 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.561 5.939 5.487 1.00 0.00 H new ATOM 310 N VAL A 41 -7.956 7.759 5.817 1.00 0.00 N ATOM 311 CA VAL A 41 -6.938 7.905 6.880 1.00 0.00 C ATOM 312 C VAL A 41 -6.784 9.402 7.234 1.00 0.00 C ATOM 313 O VAL A 41 -6.831 10.240 6.338 1.00 0.00 O ATOM 314 CB VAL A 41 -5.568 7.264 6.425 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.691 5.729 6.278 1.00 0.00 C ATOM 316 CG2 VAL A 41 -5.040 7.887 5.115 1.00 0.00 C ATOM 0 H VAL A 41 -7.817 8.403 5.038 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.259 7.371 7.775 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.844 7.483 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.733 5.316 5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.978 5.294 7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.450 5.495 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.096 7.415 4.842 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.768 7.731 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.883 8.956 5.258 1.00 0.00 H new ATOM 326 N PRO A 42 -6.614 9.777 8.543 1.00 0.00 N ATOM 327 CA PRO A 42 -6.758 11.188 9.012 1.00 0.00 C ATOM 328 C PRO A 42 -5.485 12.059 8.827 1.00 0.00 C ATOM 329 O PRO A 42 -5.205 12.938 9.649 1.00 0.00 O ATOM 330 CB PRO A 42 -7.106 10.970 10.500 1.00 0.00 C ATOM 331 CG PRO A 42 -6.282 9.778 10.896 1.00 0.00 C ATOM 332 CD PRO A 42 -6.260 8.870 9.677 1.00 0.00 C ATOM 0 HA PRO A 42 -7.498 11.751 8.443 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.856 11.845 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.171 10.782 10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.273 10.077 11.180 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.718 9.269 11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.279 8.417 9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -6.976 8.054 9.774 1.00 0.00 H new ATOM 340 N GLU A 43 -4.748 11.820 7.719 1.00 0.00 N ATOM 341 CA GLU A 43 -3.427 12.457 7.414 1.00 0.00 C ATOM 342 C GLU A 43 -2.366 12.262 8.539 1.00 0.00 C ATOM 343 O GLU A 43 -1.270 12.825 8.457 1.00 0.00 O ATOM 344 CB GLU A 43 -3.607 13.970 7.073 1.00 0.00 C ATOM 345 CG GLU A 43 -4.457 14.251 5.813 1.00 0.00 C ATOM 346 CD GLU A 43 -4.823 15.737 5.642 1.00 0.00 C ATOM 347 OE1 GLU A 43 -3.941 16.540 5.270 1.00 0.00 O ATOM 348 OE2 GLU A 43 -5.986 16.115 5.912 1.00 0.00 O ATOM 0 H GLU A 43 -5.051 11.170 6.994 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.035 11.939 6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.069 14.468 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.622 14.418 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -3.910 13.915 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.373 13.662 5.863 1.00 0.00 H new ATOM 355 N ASN A 44 -2.675 11.421 9.547 1.00 0.00 N ATOM 356 CA ASN A 44 -1.801 11.162 10.709 1.00 0.00 C ATOM 357 C ASN A 44 -1.146 9.793 10.539 1.00 0.00 C ATOM 358 O ASN A 44 -0.019 9.569 11.003 1.00 0.00 O ATOM 359 CB ASN A 44 -2.614 11.208 12.030 1.00 0.00 C ATOM 360 CG ASN A 44 -1.771 10.908 13.283 1.00 0.00 C ATOM 361 OD1 ASN A 44 -1.665 9.755 13.714 1.00 0.00 O ATOM 362 ND2 ASN A 44 -1.141 11.926 13.860 1.00 0.00 N ATOM 0 H ASN A 44 -3.549 10.896 9.577 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.034 11.934 10.761 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.067 12.194 12.134 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.430 10.488 11.970 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.554 11.765 14.678 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.245 12.869 13.485 1.00 0.00 H new ATOM 369 N SER A 45 -1.890 8.887 9.865 1.00 0.00 N ATOM 370 CA SER A 45 -1.417 7.559 9.483 1.00 0.00 C ATOM 371 C SER A 45 -0.063 7.634 8.765 1.00 0.00 C ATOM 372 O SER A 45 0.050 8.262 7.712 1.00 0.00 O ATOM 373 CB SER A 45 -2.459 6.902 8.558 1.00 0.00 C ATOM 374 OG SER A 45 -3.737 6.887 9.173 1.00 0.00 O ATOM 0 H SER A 45 -2.849 9.072 9.572 1.00 0.00 H new ATOM 0 HA SER A 45 -1.285 6.964 10.386 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.510 7.446 7.615 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.152 5.883 8.322 1.00 0.00 H new ATOM 0 HG SER A 45 -4.244 6.111 8.855 1.00 0.00 H new ATOM 380 N SER A 46 0.961 7.066 9.396 1.00 0.00 N ATOM 381 CA SER A 46 2.254 6.801 8.759 1.00 0.00 C ATOM 382 C SER A 46 2.115 5.605 7.807 1.00 0.00 C ATOM 383 O SER A 46 1.092 4.922 7.846 1.00 0.00 O ATOM 384 CB SER A 46 3.295 6.511 9.858 1.00 0.00 C ATOM 385 OG SER A 46 2.861 5.456 10.707 1.00 0.00 O ATOM 0 H SER A 46 0.919 6.773 10.372 1.00 0.00 H new ATOM 0 HA SER A 46 2.581 7.665 8.180 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.248 6.245 9.400 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.465 7.411 10.449 1.00 0.00 H new ATOM 0 HG SER A 46 3.352 5.495 11.554 1.00 0.00 H new ATOM 391 N VAL A 47 3.136 5.337 6.963 1.00 0.00 N ATOM 392 CA VAL A 47 3.152 4.105 6.135 1.00 0.00 C ATOM 393 C VAL A 47 3.170 2.857 7.054 1.00 0.00 C ATOM 394 O VAL A 47 2.572 1.841 6.724 1.00 0.00 O ATOM 395 CB VAL A 47 4.352 4.098 5.113 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.491 2.739 4.374 1.00 0.00 C ATOM 397 CG2 VAL A 47 4.202 5.263 4.096 1.00 0.00 C ATOM 0 H VAL A 47 3.947 5.943 6.836 1.00 0.00 H new ATOM 0 HA VAL A 47 2.242 4.081 5.535 1.00 0.00 H new ATOM 0 HB VAL A 47 5.267 4.242 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.332 2.786 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.663 1.945 5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.576 2.531 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.038 5.245 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.267 5.149 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.196 6.213 4.630 1.00 0.00 H new ATOM 407 N GLN A 48 3.811 3.006 8.235 1.00 0.00 N ATOM 408 CA GLN A 48 3.785 2.021 9.344 1.00 0.00 C ATOM 409 C GLN A 48 2.342 1.604 9.720 1.00 0.00 C ATOM 410 O GLN A 48 2.072 0.419 9.915 1.00 0.00 O ATOM 411 CB GLN A 48 4.492 2.634 10.590 1.00 0.00 C ATOM 412 CG GLN A 48 4.417 1.789 11.881 1.00 0.00 C ATOM 413 CD GLN A 48 4.995 2.513 13.102 1.00 0.00 C ATOM 414 OE1 GLN A 48 6.177 2.385 13.412 1.00 0.00 O ATOM 415 NE2 GLN A 48 4.168 3.284 13.799 1.00 0.00 N ATOM 0 H GLN A 48 4.372 3.830 8.450 1.00 0.00 H new ATOM 0 HA GLN A 48 4.308 1.126 9.009 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.541 2.800 10.346 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.053 3.611 10.791 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.377 1.528 12.078 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.957 0.855 11.730 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.192 3.370 13.517 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.509 3.790 14.616 1.00 0.00 H new ATOM 424 N GLN A 49 1.432 2.582 9.808 1.00 0.00 N ATOM 425 CA GLN A 49 0.025 2.329 10.192 1.00 0.00 C ATOM 426 C GLN A 49 -0.834 1.980 8.961 1.00 0.00 C ATOM 427 O GLN A 49 -1.781 1.185 9.040 1.00 0.00 O ATOM 428 CB GLN A 49 -0.544 3.579 10.909 1.00 0.00 C ATOM 429 CG GLN A 49 -1.931 3.374 11.546 1.00 0.00 C ATOM 430 CD GLN A 49 -2.433 4.613 12.285 1.00 0.00 C ATOM 431 OE1 GLN A 49 -2.148 4.804 13.466 1.00 0.00 O ATOM 432 NE2 GLN A 49 -3.180 5.457 11.600 1.00 0.00 N ATOM 0 H GLN A 49 1.640 3.562 9.619 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.004 1.475 10.869 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.156 3.887 11.685 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.605 4.397 10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.646 3.106 10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.886 2.536 12.241 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.397 5.268 10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.541 6.299 12.049 1.00 0.00 H new ATOM 441 N PHE A 50 -0.457 2.563 7.820 1.00 0.00 N ATOM 442 CA PHE A 50 -1.251 2.532 6.584 1.00 0.00 C ATOM 443 C PHE A 50 -1.189 1.155 5.897 1.00 0.00 C ATOM 444 O PHE A 50 -2.210 0.643 5.431 1.00 0.00 O ATOM 445 CB PHE A 50 -0.761 3.649 5.628 1.00 0.00 C ATOM 446 CG PHE A 50 -1.581 3.787 4.352 1.00 0.00 C ATOM 447 CD1 PHE A 50 -2.921 4.153 4.424 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.023 3.557 3.094 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.682 4.279 3.286 1.00 0.00 C ATOM 450 CE2 PHE A 50 -1.786 3.685 1.958 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.116 4.047 2.055 1.00 0.00 C ATOM 0 H PHE A 50 0.419 3.077 7.725 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.295 2.709 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.777 4.600 6.161 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.277 3.452 5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.370 4.341 5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.017 3.276 3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.722 4.560 3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.346 3.503 0.989 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.713 4.148 1.161 1.00 0.00 H new ATOM 461 N LYS A 51 0.020 0.565 5.844 1.00 0.00 N ATOM 462 CA LYS A 51 0.253 -0.729 5.169 1.00 0.00 C ATOM 463 C LYS A 51 -0.372 -1.900 5.981 1.00 0.00 C ATOM 464 O LYS A 51 -0.554 -3.001 5.453 1.00 0.00 O ATOM 465 CB LYS A 51 1.779 -0.924 4.821 1.00 0.00 C ATOM 466 CG LYS A 51 2.657 -1.776 5.779 1.00 0.00 C ATOM 467 CD LYS A 51 2.748 -1.253 7.232 1.00 0.00 C ATOM 468 CE LYS A 51 3.879 -1.923 8.031 1.00 0.00 C ATOM 469 NZ LYS A 51 3.725 -1.735 9.493 1.00 0.00 N ATOM 0 H LYS A 51 0.858 0.967 6.264 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.264 -0.728 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.838 -1.374 3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.231 0.065 4.749 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.263 -2.792 5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.665 -1.834 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.908 -0.175 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.798 -1.427 7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.898 -2.989 7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.837 -1.512 7.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.647 -1.857 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.365 -0.778 9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.054 -2.438 9.865 1.00 0.00 H new ATOM 483 N GLU A 52 -0.684 -1.632 7.276 1.00 0.00 N ATOM 484 CA GLU A 52 -1.457 -2.555 8.142 1.00 0.00 C ATOM 485 C GLU A 52 -2.934 -2.591 7.704 1.00 0.00 C ATOM 486 O GLU A 52 -3.565 -3.658 7.676 1.00 0.00 O ATOM 487 CB GLU A 52 -1.355 -2.136 9.633 1.00 0.00 C ATOM 488 CG GLU A 52 0.074 -2.151 10.206 1.00 0.00 C ATOM 489 CD GLU A 52 0.104 -1.794 11.701 1.00 0.00 C ATOM 490 OE1 GLU A 52 -0.072 -0.603 12.040 1.00 0.00 O ATOM 491 OE2 GLU A 52 0.250 -2.707 12.544 1.00 0.00 O ATOM 0 H GLU A 52 -0.406 -0.771 7.746 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.031 -3.552 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.766 -1.133 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.978 -2.804 10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.511 -3.139 10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.693 -1.444 9.653 1.00 0.00 H new ATOM 498 N GLU A 53 -3.472 -1.408 7.357 1.00 0.00 N ATOM 499 CA GLU A 53 -4.838 -1.270 6.814 1.00 0.00 C ATOM 500 C GLU A 53 -4.949 -1.979 5.458 1.00 0.00 C ATOM 501 O GLU A 53 -5.975 -2.587 5.144 1.00 0.00 O ATOM 502 CB GLU A 53 -5.219 0.229 6.681 1.00 0.00 C ATOM 503 CG GLU A 53 -5.285 0.987 8.018 1.00 0.00 C ATOM 504 CD GLU A 53 -6.338 0.414 8.983 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.544 0.645 8.759 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.976 -0.292 9.950 1.00 0.00 O ATOM 0 H GLU A 53 -2.974 -0.522 7.444 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.536 -1.741 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.492 0.720 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.188 0.303 6.187 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.306 0.955 8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.510 2.036 7.824 1.00 0.00 H new ATOM 513 N ILE A 54 -3.873 -1.875 4.664 1.00 0.00 N ATOM 514 CA ILE A 54 -3.759 -2.545 3.364 1.00 0.00 C ATOM 515 C ILE A 54 -3.794 -4.082 3.522 1.00 0.00 C ATOM 516 O ILE A 54 -4.524 -4.772 2.793 1.00 0.00 O ATOM 517 CB ILE A 54 -2.435 -2.116 2.632 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.432 -0.586 2.306 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.203 -2.945 1.355 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.164 -0.080 1.632 1.00 0.00 C ATOM 0 H ILE A 54 -3.053 -1.320 4.909 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.614 -2.239 2.761 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.610 -2.316 3.316 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.283 -0.364 1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.581 -0.031 3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.279 -2.622 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.127 -4.001 1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.038 -2.800 0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.254 0.990 1.445 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.308 -0.264 2.281 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.021 -0.603 0.686 1.00 0.00 H new ATOM 532 N SER A 55 -3.007 -4.594 4.493 1.00 0.00 N ATOM 533 CA SER A 55 -2.736 -6.035 4.640 1.00 0.00 C ATOM 534 C SER A 55 -4.016 -6.861 4.879 1.00 0.00 C ATOM 535 O SER A 55 -4.178 -7.952 4.318 1.00 0.00 O ATOM 536 CB SER A 55 -1.701 -6.281 5.762 1.00 0.00 C ATOM 537 OG SER A 55 -2.201 -5.919 7.034 1.00 0.00 O ATOM 0 H SER A 55 -2.543 -4.018 5.195 1.00 0.00 H new ATOM 0 HA SER A 55 -2.318 -6.378 3.693 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.419 -7.334 5.770 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.797 -5.710 5.552 1.00 0.00 H new ATOM 0 HG SER A 55 -2.664 -5.057 6.971 1.00 0.00 H new ATOM 543 N LYS A 56 -4.928 -6.319 5.697 1.00 0.00 N ATOM 544 CA LYS A 56 -6.207 -6.978 6.025 1.00 0.00 C ATOM 545 C LYS A 56 -7.188 -6.923 4.832 1.00 0.00 C ATOM 546 O LYS A 56 -7.964 -7.859 4.623 1.00 0.00 O ATOM 547 CB LYS A 56 -6.829 -6.330 7.294 1.00 0.00 C ATOM 548 CG LYS A 56 -7.205 -4.839 7.142 1.00 0.00 C ATOM 549 CD LYS A 56 -7.745 -4.206 8.442 1.00 0.00 C ATOM 550 CE LYS A 56 -8.124 -2.725 8.259 1.00 0.00 C ATOM 551 NZ LYS A 56 -8.543 -2.074 9.529 1.00 0.00 N ATOM 0 H LYS A 56 -4.804 -5.414 6.151 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.010 -8.030 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.723 -6.889 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.124 -6.430 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.327 -4.283 6.813 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.957 -4.740 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.619 -4.763 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.992 -4.292 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.272 -2.186 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.934 -2.649 7.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.411 -1.045 9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.545 -2.282 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.965 -2.439 10.313 1.00 0.00 H new ATOM 565 N ARG A 57 -7.134 -5.823 4.047 1.00 0.00 N ATOM 566 CA ARG A 57 -8.043 -5.592 2.899 1.00 0.00 C ATOM 567 C ARG A 57 -7.746 -6.556 1.746 1.00 0.00 C ATOM 568 O ARG A 57 -8.650 -7.218 1.222 1.00 0.00 O ATOM 569 CB ARG A 57 -7.935 -4.116 2.412 1.00 0.00 C ATOM 570 CG ARG A 57 -8.624 -3.090 3.331 1.00 0.00 C ATOM 571 CD ARG A 57 -10.139 -3.319 3.417 1.00 0.00 C ATOM 572 NE ARG A 57 -10.812 -2.272 4.199 1.00 0.00 N ATOM 573 CZ ARG A 57 -11.974 -1.687 3.866 1.00 0.00 C ATOM 574 NH1 ARG A 57 -12.550 -1.921 2.689 1.00 0.00 N ATOM 575 NH2 ARG A 57 -12.518 -0.816 4.698 1.00 0.00 N ATOM 0 H ARG A 57 -6.460 -5.071 4.191 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.062 -5.781 3.237 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.881 -3.853 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.370 -4.042 1.415 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.191 -3.150 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.430 -2.084 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.559 -3.346 2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.333 -4.291 3.870 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.361 -1.966 5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.109 -2.554 2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.433 -1.467 2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.055 -0.596 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.400 -0.364 4.458 1.00 0.00 H new ATOM 589 N PHE A 58 -6.469 -6.624 1.360 1.00 0.00 N ATOM 590 CA PHE A 58 -6.010 -7.509 0.284 1.00 0.00 C ATOM 591 C PHE A 58 -5.701 -8.922 0.820 1.00 0.00 C ATOM 592 O PHE A 58 -5.263 -9.770 0.051 1.00 0.00 O ATOM 593 CB PHE A 58 -4.773 -6.898 -0.418 1.00 0.00 C ATOM 594 CG PHE A 58 -5.067 -5.600 -1.189 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.555 -5.639 -2.499 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.830 -4.348 -0.617 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.809 -4.471 -3.198 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.086 -3.181 -1.318 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.564 -3.245 -2.613 1.00 0.00 C ATOM 0 H PHE A 58 -5.725 -6.069 1.783 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.811 -7.605 -0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.006 -6.698 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.361 -7.633 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.736 -6.593 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.441 -4.289 0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.200 -4.519 -4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.912 -2.222 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.746 -2.336 -3.167 1.00 0.00 H new ATOM 609 N LYS A 59 -5.903 -9.161 2.145 1.00 0.00 N ATOM 610 CA LYS A 59 -5.724 -10.505 2.778 1.00 0.00 C ATOM 611 C LYS A 59 -4.275 -11.017 2.594 1.00 0.00 C ATOM 612 O LYS A 59 -4.015 -12.223 2.556 1.00 0.00 O ATOM 613 CB LYS A 59 -6.766 -11.514 2.203 1.00 0.00 C ATOM 614 CG LYS A 59 -8.236 -11.125 2.466 1.00 0.00 C ATOM 615 CD LYS A 59 -8.595 -11.129 3.969 1.00 0.00 C ATOM 616 CE LYS A 59 -10.084 -10.853 4.213 1.00 0.00 C ATOM 617 NZ LYS A 59 -10.956 -11.840 3.525 1.00 0.00 N ATOM 0 H LYS A 59 -6.192 -8.437 2.802 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.899 -10.412 3.850 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.613 -11.604 1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.579 -12.497 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.424 -10.133 2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.891 -11.819 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.331 -12.095 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.999 -10.376 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.286 -10.876 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.328 -9.849 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.920 -11.780 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.977 -11.634 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.582 -12.799 3.676 1.00 0.00 H new ATOM 631 N SER A 60 -3.343 -10.064 2.510 1.00 0.00 N ATOM 632 CA SER A 60 -1.926 -10.310 2.245 1.00 0.00 C ATOM 633 C SER A 60 -1.100 -9.478 3.228 1.00 0.00 C ATOM 634 O SER A 60 -1.171 -8.255 3.188 1.00 0.00 O ATOM 635 CB SER A 60 -1.611 -9.904 0.796 1.00 0.00 C ATOM 636 OG SER A 60 -2.482 -10.542 -0.122 1.00 0.00 O ATOM 0 H SER A 60 -3.561 -9.074 2.628 1.00 0.00 H new ATOM 0 HA SER A 60 -1.684 -11.365 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.700 -8.823 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.579 -10.163 0.560 1.00 0.00 H new ATOM 0 HG SER A 60 -3.388 -10.183 -0.017 1.00 0.00 H new ATOM 642 N HIS A 61 -0.321 -10.151 4.087 1.00 0.00 N ATOM 643 CA HIS A 61 0.360 -9.526 5.249 1.00 0.00 C ATOM 644 C HIS A 61 1.425 -8.474 4.840 1.00 0.00 C ATOM 645 O HIS A 61 1.837 -8.415 3.682 1.00 0.00 O ATOM 646 CB HIS A 61 0.956 -10.625 6.157 1.00 0.00 C ATOM 647 CG HIS A 61 -0.091 -11.553 6.721 1.00 0.00 C ATOM 648 ND1 HIS A 61 -0.317 -12.820 6.231 1.00 0.00 N ATOM 649 CD2 HIS A 61 -1.000 -11.374 7.716 1.00 0.00 C ATOM 650 CE1 HIS A 61 -1.308 -13.379 6.895 1.00 0.00 C ATOM 651 NE2 HIS A 61 -1.742 -12.525 7.800 1.00 0.00 N ATOM 0 H HIS A 61 -0.139 -11.151 4.002 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.391 -8.970 5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.680 -11.207 5.587 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.499 -10.156 6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -1.116 -10.491 8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.699 -14.371 6.726 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -2.505 -12.692 8.456 1.00 0.00 H new ATOM 660 N THR A 62 1.853 -7.647 5.820 1.00 0.00 N ATOM 661 CA THR A 62 2.668 -6.431 5.583 1.00 0.00 C ATOM 662 C THR A 62 4.026 -6.729 4.905 1.00 0.00 C ATOM 663 O THR A 62 4.462 -5.967 4.034 1.00 0.00 O ATOM 664 CB THR A 62 2.898 -5.646 6.919 1.00 0.00 C ATOM 665 OG1 THR A 62 3.507 -6.505 7.900 1.00 0.00 O ATOM 666 CG2 THR A 62 1.582 -5.080 7.488 1.00 0.00 C ATOM 0 H THR A 62 1.642 -7.805 6.805 1.00 0.00 H new ATOM 0 HA THR A 62 2.095 -5.814 4.891 1.00 0.00 H new ATOM 0 HB THR A 62 3.559 -4.809 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.648 -6.004 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.787 -4.543 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.136 -4.398 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.891 -5.898 7.688 1.00 0.00 H new ATOM 674 N ASP A 63 4.676 -7.842 5.301 1.00 0.00 N ATOM 675 CA ASP A 63 5.966 -8.294 4.705 1.00 0.00 C ATOM 676 C ASP A 63 5.816 -8.658 3.213 1.00 0.00 C ATOM 677 O ASP A 63 6.785 -8.595 2.456 1.00 0.00 O ATOM 678 CB ASP A 63 6.548 -9.515 5.479 1.00 0.00 C ATOM 679 CG ASP A 63 7.154 -9.136 6.839 1.00 0.00 C ATOM 680 OD1 ASP A 63 8.311 -8.668 6.868 1.00 0.00 O ATOM 681 OD2 ASP A 63 6.484 -9.299 7.881 1.00 0.00 O ATOM 0 H ASP A 63 4.330 -8.456 6.039 1.00 0.00 H new ATOM 0 HA ASP A 63 6.656 -7.454 4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 63 5.758 -10.250 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.314 -9.993 4.868 1.00 0.00 H new ATOM 686 N GLN A 64 4.590 -9.026 2.814 1.00 0.00 N ATOM 687 CA GLN A 64 4.281 -9.484 1.443 1.00 0.00 C ATOM 688 C GLN A 64 4.093 -8.315 0.471 1.00 0.00 C ATOM 689 O GLN A 64 4.174 -8.507 -0.739 1.00 0.00 O ATOM 690 CB GLN A 64 3.008 -10.365 1.453 1.00 0.00 C ATOM 691 CG GLN A 64 3.069 -11.555 2.415 1.00 0.00 C ATOM 692 CD GLN A 64 4.220 -12.514 2.116 1.00 0.00 C ATOM 693 OE1 GLN A 64 5.329 -12.359 2.630 1.00 0.00 O ATOM 694 NE2 GLN A 64 3.970 -13.510 1.283 1.00 0.00 N ATOM 0 H GLN A 64 3.779 -9.016 3.432 1.00 0.00 H new ATOM 0 HA GLN A 64 5.134 -10.068 1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.153 -9.743 1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.831 -10.738 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.170 -11.184 3.435 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.127 -12.102 2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.041 -13.612 0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.706 -14.177 1.050 1.00 0.00 H new ATOM 703 N LEU A 65 3.845 -7.111 1.003 1.00 0.00 N ATOM 704 CA LEU A 65 3.511 -5.928 0.188 1.00 0.00 C ATOM 705 C LEU A 65 4.515 -4.790 0.426 1.00 0.00 C ATOM 706 O LEU A 65 5.041 -4.627 1.534 1.00 0.00 O ATOM 707 CB LEU A 65 2.038 -5.511 0.484 1.00 0.00 C ATOM 708 CG LEU A 65 1.662 -5.143 1.968 1.00 0.00 C ATOM 709 CD1 LEU A 65 1.920 -3.653 2.298 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.202 -5.523 2.282 1.00 0.00 C ATOM 0 H LEU A 65 3.869 -6.926 2.006 1.00 0.00 H new ATOM 0 HA LEU A 65 3.587 -6.171 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.801 -4.652 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.389 -6.327 0.167 1.00 0.00 H new ATOM 0 HG LEU A 65 2.321 -5.730 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.643 -3.456 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.977 -3.427 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.322 -3.025 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.029 -5.257 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.467 -4.985 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.068 -6.596 2.145 1.00 0.00 H new ATOM 722 N VAL A 66 4.789 -4.023 -0.642 1.00 0.00 N ATOM 723 CA VAL A 66 5.698 -2.867 -0.628 1.00 0.00 C ATOM 724 C VAL A 66 5.060 -1.716 -1.435 1.00 0.00 C ATOM 725 O VAL A 66 4.669 -1.904 -2.597 1.00 0.00 O ATOM 726 CB VAL A 66 7.140 -3.230 -1.194 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.913 -4.164 -0.222 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.070 -3.866 -2.608 1.00 0.00 C ATOM 0 H VAL A 66 4.375 -4.194 -1.559 1.00 0.00 H new ATOM 0 HA VAL A 66 5.844 -2.554 0.406 1.00 0.00 H new ATOM 0 HB VAL A 66 7.685 -2.290 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.894 -4.392 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.035 -3.667 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.353 -5.089 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.078 -4.097 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.482 -4.783 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.601 -3.166 -3.299 1.00 0.00 H new ATOM 738 N LEU A 67 4.904 -0.545 -0.794 1.00 0.00 N ATOM 739 CA LEU A 67 4.374 0.663 -1.443 1.00 0.00 C ATOM 740 C LEU A 67 5.509 1.330 -2.215 1.00 0.00 C ATOM 741 O LEU A 67 6.636 1.361 -1.737 1.00 0.00 O ATOM 742 CB LEU A 67 3.797 1.655 -0.389 1.00 0.00 C ATOM 743 CG LEU A 67 2.417 1.287 0.249 1.00 0.00 C ATOM 744 CD1 LEU A 67 2.085 2.218 1.436 1.00 0.00 C ATOM 745 CD2 LEU A 67 1.286 1.344 -0.808 1.00 0.00 C ATOM 0 H LEU A 67 5.142 -0.411 0.189 1.00 0.00 H new ATOM 0 HA LEU A 67 3.565 0.385 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.526 1.757 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.703 2.633 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 67 2.490 0.266 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.120 1.938 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.857 2.124 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.043 3.250 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.337 1.084 -0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.224 2.351 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.501 0.637 -1.609 1.00 0.00 H new ATOM 757 N ILE A 68 5.218 1.791 -3.435 1.00 0.00 N ATOM 758 CA ILE A 68 6.141 2.597 -4.246 1.00 0.00 C ATOM 759 C ILE A 68 5.476 3.941 -4.564 1.00 0.00 C ATOM 760 O ILE A 68 4.287 3.997 -4.927 1.00 0.00 O ATOM 761 CB ILE A 68 6.586 1.907 -5.608 1.00 0.00 C ATOM 762 CG1 ILE A 68 7.285 0.529 -5.368 1.00 0.00 C ATOM 763 CG2 ILE A 68 7.522 2.840 -6.433 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.356 -0.646 -5.098 1.00 0.00 C ATOM 0 H ILE A 68 4.325 1.614 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 68 7.047 2.719 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 68 5.675 1.727 -6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.893 0.294 -6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.967 0.631 -4.523 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.809 2.341 -7.358 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.997 3.766 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.415 3.067 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.947 -1.549 -4.946 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.765 -0.445 -4.205 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.690 -0.787 -5.949 1.00 0.00 H new ATOM 776 N PHE A 69 6.261 5.010 -4.415 1.00 0.00 N ATOM 777 CA PHE A 69 5.895 6.361 -4.846 1.00 0.00 C ATOM 778 C PHE A 69 7.175 7.196 -4.966 1.00 0.00 C ATOM 779 O PHE A 69 8.109 7.016 -4.171 1.00 0.00 O ATOM 780 CB PHE A 69 4.888 7.030 -3.870 1.00 0.00 C ATOM 781 CG PHE A 69 4.261 8.320 -4.418 1.00 0.00 C ATOM 782 CD1 PHE A 69 3.122 8.270 -5.231 1.00 0.00 C ATOM 783 CD2 PHE A 69 4.809 9.573 -4.142 1.00 0.00 C ATOM 784 CE1 PHE A 69 2.554 9.427 -5.733 1.00 0.00 C ATOM 785 CE2 PHE A 69 4.240 10.724 -4.647 1.00 0.00 C ATOM 786 CZ PHE A 69 3.117 10.652 -5.445 1.00 0.00 C ATOM 0 H PHE A 69 7.184 4.960 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 69 5.395 6.301 -5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.094 6.320 -3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.398 7.254 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.680 7.314 -5.470 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.692 9.643 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.670 9.371 -6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.675 11.685 -4.417 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.679 11.555 -5.844 1.00 0.00 H new ATOM 796 N ALA A 70 7.196 8.097 -5.972 1.00 0.00 N ATOM 797 CA ALA A 70 8.324 9.014 -6.250 1.00 0.00 C ATOM 798 C ALA A 70 9.590 8.258 -6.719 1.00 0.00 C ATOM 799 O ALA A 70 10.700 8.804 -6.677 1.00 0.00 O ATOM 800 CB ALA A 70 8.615 9.916 -5.027 1.00 0.00 C ATOM 0 H ALA A 70 6.419 8.210 -6.623 1.00 0.00 H new ATOM 0 HA ALA A 70 8.025 9.658 -7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.448 10.581 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.731 10.509 -4.794 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.872 9.294 -4.169 1.00 0.00 H new ATOM 806 N GLY A 71 9.399 7.009 -7.192 1.00 0.00 N ATOM 807 CA GLY A 71 10.503 6.160 -7.663 1.00 0.00 C ATOM 808 C GLY A 71 11.228 5.419 -6.537 1.00 0.00 C ATOM 809 O GLY A 71 12.240 4.757 -6.785 1.00 0.00 O ATOM 0 H GLY A 71 8.482 6.567 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.113 5.432 -8.374 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.221 6.778 -8.202 1.00 0.00 H new ATOM 813 N LYS A 72 10.718 5.527 -5.294 1.00 0.00 N ATOM 814 CA LYS A 72 11.291 4.837 -4.117 1.00 0.00 C ATOM 815 C LYS A 72 10.196 4.009 -3.423 1.00 0.00 C ATOM 816 O LYS A 72 9.005 4.280 -3.593 1.00 0.00 O ATOM 817 CB LYS A 72 11.982 5.863 -3.152 1.00 0.00 C ATOM 818 CG LYS A 72 11.081 6.971 -2.528 1.00 0.00 C ATOM 819 CD LYS A 72 10.310 6.515 -1.253 1.00 0.00 C ATOM 820 CE LYS A 72 11.224 6.132 -0.079 1.00 0.00 C ATOM 821 NZ LYS A 72 11.953 7.291 0.475 1.00 0.00 N ATOM 0 H LYS A 72 9.898 6.094 -5.076 1.00 0.00 H new ATOM 0 HA LYS A 72 12.072 4.147 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.443 5.304 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.788 6.351 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.701 7.831 -2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.361 7.304 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.644 7.318 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.682 5.661 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.625 5.674 0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.941 5.382 -0.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.953 7.039 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.885 8.092 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.535 7.559 1.389 1.00 0.00 H new ATOM 835 N ILE A 73 10.612 3.005 -2.641 1.00 0.00 N ATOM 836 CA ILE A 73 9.683 2.162 -1.857 1.00 0.00 C ATOM 837 C ILE A 73 9.421 2.804 -0.465 1.00 0.00 C ATOM 838 O ILE A 73 10.355 3.061 0.302 1.00 0.00 O ATOM 839 CB ILE A 73 10.144 0.644 -1.726 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.438 0.426 -0.857 1.00 0.00 C ATOM 841 CG2 ILE A 73 10.331 0.011 -3.127 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.741 0.967 -1.427 1.00 0.00 C ATOM 0 H ILE A 73 11.593 2.750 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 73 8.748 2.126 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 73 9.338 0.143 -1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.275 0.886 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.558 -0.644 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.646 -1.027 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.388 0.049 -3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.091 0.565 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.557 0.754 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.944 0.490 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.657 2.045 -1.568 1.00 0.00 H new ATOM 854 N LEU A 74 8.137 3.113 -0.188 1.00 0.00 N ATOM 855 CA LEU A 74 7.696 3.768 1.055 1.00 0.00 C ATOM 856 C LEU A 74 7.857 2.814 2.254 1.00 0.00 C ATOM 857 O LEU A 74 7.088 1.856 2.406 1.00 0.00 O ATOM 858 CB LEU A 74 6.208 4.230 0.947 1.00 0.00 C ATOM 859 CG LEU A 74 5.801 5.020 -0.340 1.00 0.00 C ATOM 860 CD1 LEU A 74 4.316 5.458 -0.283 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.729 6.228 -0.588 1.00 0.00 C ATOM 0 H LEU A 74 7.371 2.911 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 74 8.323 4.646 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.573 3.347 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.983 4.854 1.812 1.00 0.00 H new ATOM 0 HG LEU A 74 5.918 4.342 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.063 6.005 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.680 4.577 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.159 6.101 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.413 6.750 -1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.676 6.908 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.755 5.880 -0.710 1.00 0.00 H new ATOM 873 N LYS A 75 8.891 3.064 3.061 1.00 0.00 N ATOM 874 CA LYS A 75 9.135 2.338 4.317 1.00 0.00 C ATOM 875 C LYS A 75 8.270 2.934 5.446 1.00 0.00 C ATOM 876 O LYS A 75 7.564 3.929 5.251 1.00 0.00 O ATOM 877 CB LYS A 75 10.638 2.434 4.703 1.00 0.00 C ATOM 878 CG LYS A 75 11.635 1.940 3.632 1.00 0.00 C ATOM 879 CD LYS A 75 11.483 0.438 3.310 1.00 0.00 C ATOM 880 CE LYS A 75 12.673 -0.117 2.512 1.00 0.00 C ATOM 881 NZ LYS A 75 13.940 -0.068 3.286 1.00 0.00 N ATOM 0 H LYS A 75 9.589 3.780 2.863 1.00 0.00 H new ATOM 0 HA LYS A 75 8.868 1.291 4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.869 3.473 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.798 1.859 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.493 2.517 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.652 2.131 3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.381 -0.121 4.240 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.565 0.283 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.465 -1.147 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.789 0.455 1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.641 -0.697 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.305 0.906 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.762 -0.379 4.263 1.00 0.00 H new ATOM 895 N ASP A 76 8.365 2.321 6.635 1.00 0.00 N ATOM 896 CA ASP A 76 7.708 2.808 7.870 1.00 0.00 C ATOM 897 C ASP A 76 8.213 4.215 8.272 1.00 0.00 C ATOM 898 O ASP A 76 7.470 4.984 8.881 1.00 0.00 O ATOM 899 CB ASP A 76 7.943 1.803 9.031 1.00 0.00 C ATOM 900 CG ASP A 76 9.435 1.600 9.356 1.00 0.00 C ATOM 901 OD1 ASP A 76 10.111 0.843 8.621 1.00 0.00 O ATOM 902 OD2 ASP A 76 9.940 2.196 10.333 1.00 0.00 O ATOM 0 H ASP A 76 8.903 1.466 6.774 1.00 0.00 H new ATOM 0 HA ASP A 76 6.640 2.886 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.427 2.159 9.923 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.500 0.842 8.769 1.00 0.00 H new ATOM 907 N GLN A 77 9.477 4.528 7.908 1.00 0.00 N ATOM 908 CA GLN A 77 10.118 5.833 8.184 1.00 0.00 C ATOM 909 C GLN A 77 9.553 6.956 7.279 1.00 0.00 C ATOM 910 O GLN A 77 9.778 8.146 7.540 1.00 0.00 O ATOM 911 CB GLN A 77 11.656 5.722 7.995 1.00 0.00 C ATOM 912 CG GLN A 77 12.114 5.318 6.577 1.00 0.00 C ATOM 913 CD GLN A 77 13.641 5.343 6.406 1.00 0.00 C ATOM 914 OE1 GLN A 77 14.327 4.353 6.661 1.00 0.00 O ATOM 915 NE2 GLN A 77 14.190 6.474 5.977 1.00 0.00 N ATOM 0 H GLN A 77 10.085 3.877 7.411 1.00 0.00 H new ATOM 0 HA GLN A 77 9.895 6.097 9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.108 6.682 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.042 4.992 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.746 4.316 6.355 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.662 5.993 5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.601 7.281 5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.201 6.535 5.852 1.00 0.00 H new ATOM 924 N ASP A 78 8.857 6.556 6.199 1.00 0.00 N ATOM 925 CA ASP A 78 8.145 7.472 5.292 1.00 0.00 C ATOM 926 C ASP A 78 6.689 7.590 5.736 1.00 0.00 C ATOM 927 O ASP A 78 6.150 6.684 6.393 1.00 0.00 O ATOM 928 CB ASP A 78 8.189 6.949 3.823 1.00 0.00 C ATOM 929 CG ASP A 78 9.619 6.799 3.288 1.00 0.00 C ATOM 930 OD1 ASP A 78 10.188 7.799 2.790 1.00 0.00 O ATOM 931 OD2 ASP A 78 10.188 5.693 3.370 1.00 0.00 O ATOM 0 H ASP A 78 8.773 5.576 5.929 1.00 0.00 H new ATOM 0 HA ASP A 78 8.634 8.445 5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.683 5.985 3.770 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.636 7.635 3.181 1.00 0.00 H new ATOM 936 N THR A 79 6.060 8.716 5.397 1.00 0.00 N ATOM 937 CA THR A 79 4.616 8.897 5.506 1.00 0.00 C ATOM 938 C THR A 79 4.092 9.292 4.120 1.00 0.00 C ATOM 939 O THR A 79 4.711 10.106 3.421 1.00 0.00 O ATOM 940 CB THR A 79 4.262 9.999 6.551 1.00 0.00 C ATOM 941 OG1 THR A 79 4.952 11.202 6.216 1.00 0.00 O ATOM 942 CG2 THR A 79 4.639 9.596 7.986 1.00 0.00 C ATOM 0 H THR A 79 6.547 9.536 5.035 1.00 0.00 H new ATOM 0 HA THR A 79 4.152 7.971 5.846 1.00 0.00 H new ATOM 0 HB THR A 79 3.182 10.141 6.519 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.731 11.898 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.371 10.399 8.672 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.102 8.689 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.712 9.414 8.043 1.00 0.00 H new ATOM 950 N LEU A 80 2.944 8.717 3.748 1.00 0.00 N ATOM 951 CA LEU A 80 2.303 8.927 2.434 1.00 0.00 C ATOM 952 C LEU A 80 1.952 10.417 2.197 1.00 0.00 C ATOM 953 O LEU A 80 2.184 10.950 1.111 1.00 0.00 O ATOM 954 CB LEU A 80 1.046 8.010 2.257 1.00 0.00 C ATOM 955 CG LEU A 80 -0.182 8.218 3.211 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.405 7.434 2.707 1.00 0.00 C ATOM 957 CD2 LEU A 80 0.114 7.829 4.673 1.00 0.00 C ATOM 0 H LEU A 80 2.423 8.084 4.354 1.00 0.00 H new ATOM 0 HA LEU A 80 3.029 8.641 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.692 8.129 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.374 6.976 2.362 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.396 9.287 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.244 7.594 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.673 7.781 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.166 6.371 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.775 7.996 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.393 6.776 4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.933 8.439 5.053 1.00 0.00 H new ATOM 969 N SER A 81 1.438 11.082 3.249 1.00 0.00 N ATOM 970 CA SER A 81 1.012 12.493 3.195 1.00 0.00 C ATOM 971 C SER A 81 2.211 13.452 2.969 1.00 0.00 C ATOM 972 O SER A 81 2.064 14.462 2.268 1.00 0.00 O ATOM 973 CB SER A 81 0.240 12.847 4.488 1.00 0.00 C ATOM 974 OG SER A 81 -0.282 14.163 4.452 1.00 0.00 O ATOM 0 H SER A 81 1.306 10.653 4.165 1.00 0.00 H new ATOM 0 HA SER A 81 0.350 12.622 2.339 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.575 12.138 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.904 12.744 5.346 1.00 0.00 H new ATOM 0 HG SER A 81 -0.326 14.472 3.523 1.00 0.00 H new ATOM 980 N GLN A 82 3.393 13.118 3.546 1.00 0.00 N ATOM 981 CA GLN A 82 4.658 13.861 3.299 1.00 0.00 C ATOM 982 C GLN A 82 5.157 13.652 1.850 1.00 0.00 C ATOM 983 O GLN A 82 5.798 14.534 1.266 1.00 0.00 O ATOM 984 CB GLN A 82 5.738 13.448 4.340 1.00 0.00 C ATOM 985 CG GLN A 82 7.176 13.953 4.064 1.00 0.00 C ATOM 986 CD GLN A 82 8.088 13.901 5.291 1.00 0.00 C ATOM 987 OE1 GLN A 82 8.760 12.898 5.543 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.119 14.981 6.064 1.00 0.00 N ATOM 0 H GLN A 82 3.498 12.334 4.190 1.00 0.00 H new ATOM 0 HA GLN A 82 4.461 14.926 3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.428 13.812 5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.761 12.360 4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.617 13.353 3.268 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.128 14.979 3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.551 15.794 5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.711 14.997 6.894 1.00 0.00 H new ATOM 997 N HIS A 83 4.821 12.494 1.258 1.00 0.00 N ATOM 998 CA HIS A 83 5.135 12.196 -0.162 1.00 0.00 C ATOM 999 C HIS A 83 4.163 12.889 -1.135 1.00 0.00 C ATOM 1000 O HIS A 83 4.271 12.705 -2.341 1.00 0.00 O ATOM 1001 CB HIS A 83 5.165 10.661 -0.413 1.00 0.00 C ATOM 1002 CG HIS A 83 6.453 10.029 0.022 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.539 9.930 -0.809 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.851 9.523 1.209 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.542 9.402 -0.155 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.155 9.141 1.074 1.00 0.00 N ATOM 0 H HIS A 83 4.329 11.741 1.739 1.00 0.00 H new ATOM 0 HA HIS A 83 6.128 12.601 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.337 10.193 0.120 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.010 10.467 -1.474 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.249 9.436 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.526 9.212 -0.558 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.732 8.723 1.804 1.00 0.00 H new ATOM 1015 N GLY A 84 3.224 13.690 -0.603 1.00 0.00 N ATOM 1016 CA GLY A 84 2.254 14.419 -1.428 1.00 0.00 C ATOM 1017 C GLY A 84 1.151 13.515 -1.946 1.00 0.00 C ATOM 1018 O GLY A 84 0.625 13.718 -3.044 1.00 0.00 O ATOM 0 H GLY A 84 3.119 13.847 0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.815 15.226 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.770 14.880 -2.270 1.00 0.00 H new ATOM 1022 N ILE A 85 0.823 12.492 -1.151 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.292 11.584 -1.419 1.00 0.00 C ATOM 1024 C ILE A 85 -1.443 11.979 -0.498 1.00 0.00 C ATOM 1025 O ILE A 85 -1.371 11.773 0.726 1.00 0.00 O ATOM 1026 CB ILE A 85 0.090 10.084 -1.158 1.00 0.00 C ATOM 1027 CG1 ILE A 85 1.379 9.684 -1.951 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.101 9.155 -1.497 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.976 8.347 -1.548 1.00 0.00 C ATOM 0 H ILE A 85 1.331 12.270 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.569 11.668 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 85 0.315 9.965 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.142 9.656 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.131 10.460 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.819 8.119 -1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.956 9.416 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.368 9.275 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.865 8.150 -2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.248 8.373 -0.493 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.244 7.557 -1.714 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.471 12.590 -1.084 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.663 13.043 -0.360 1.00 0.00 C ATOM 1043 C HIS A 86 -4.930 12.450 -1.003 1.00 0.00 C ATOM 1044 O HIS A 86 -4.844 11.481 -1.771 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.676 14.596 -0.294 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.536 15.156 0.531 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -1.581 16.014 0.029 1.00 0.00 N ATOM 1048 CD2 HIS A 86 -2.173 14.923 1.821 1.00 0.00 C ATOM 1049 CE1 HIS A 86 -0.683 16.270 0.956 1.00 0.00 C ATOM 1050 NE2 HIS A 86 -1.021 15.625 2.052 1.00 0.00 N ATOM 0 H HIS A 86 -2.503 12.788 -2.084 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.641 12.682 0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.619 14.999 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.623 14.930 0.129 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.572 16.393 -0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.696 14.300 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 86 0.184 16.902 0.837 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.104 12.996 -0.632 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.406 12.545 -1.151 1.00 0.00 C ATOM 1061 C ASP A 87 -7.473 12.721 -2.688 1.00 0.00 C ATOM 1062 O ASP A 87 -7.133 13.788 -3.213 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.569 13.298 -0.441 1.00 0.00 C ATOM 1064 CG ASP A 87 -8.541 14.826 -0.644 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -7.684 15.496 -0.031 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.371 15.357 -1.413 1.00 0.00 O ATOM 0 H ASP A 87 -6.174 13.763 0.037 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.516 11.482 -0.935 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.518 12.910 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.530 13.083 0.627 1.00 0.00 H new ATOM 1071 N GLY A 88 -7.853 11.646 -3.396 1.00 0.00 N ATOM 1072 CA GLY A 88 -7.933 11.653 -4.865 1.00 0.00 C ATOM 1073 C GLY A 88 -6.654 11.174 -5.552 1.00 0.00 C ATOM 1074 O GLY A 88 -6.656 10.957 -6.769 1.00 0.00 O ATOM 0 H GLY A 88 -8.111 10.755 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.762 11.019 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.160 12.664 -5.203 1.00 0.00 H new ATOM 1078 N LEU A 89 -5.564 11.011 -4.773 1.00 0.00 N ATOM 1079 CA LEU A 89 -4.280 10.463 -5.269 1.00 0.00 C ATOM 1080 C LEU A 89 -4.316 8.928 -5.200 1.00 0.00 C ATOM 1081 O LEU A 89 -5.096 8.344 -4.430 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.065 11.010 -4.445 1.00 0.00 C ATOM 1083 CG LEU A 89 -2.596 12.475 -4.743 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.090 12.615 -6.193 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.696 13.512 -4.420 1.00 0.00 C ATOM 0 H LEU A 89 -5.547 11.255 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.149 10.782 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.319 10.946 -3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.218 10.344 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.758 12.688 -4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.772 13.642 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.247 11.942 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.893 12.360 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.328 14.514 -4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.578 13.307 -5.026 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.958 13.447 -3.364 1.00 0.00 H new ATOM 1097 N THR A 90 -3.452 8.289 -6.007 1.00 0.00 N ATOM 1098 CA THR A 90 -3.313 6.828 -6.060 1.00 0.00 C ATOM 1099 C THR A 90 -1.837 6.427 -5.844 1.00 0.00 C ATOM 1100 O THR A 90 -0.938 6.915 -6.551 1.00 0.00 O ATOM 1101 CB THR A 90 -3.841 6.254 -7.419 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.197 6.678 -7.622 1.00 0.00 O ATOM 1103 CG2 THR A 90 -3.789 4.715 -7.462 1.00 0.00 C ATOM 0 H THR A 90 -2.826 8.779 -6.646 1.00 0.00 H new ATOM 0 HA THR A 90 -3.919 6.401 -5.261 1.00 0.00 H new ATOM 0 HB THR A 90 -3.192 6.635 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.528 6.321 -8.473 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.165 4.365 -8.423 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.759 4.382 -7.332 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.406 4.308 -6.661 1.00 0.00 H new ATOM 1111 N VAL A 91 -1.608 5.521 -4.866 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.278 4.970 -4.560 1.00 0.00 C ATOM 1113 C VAL A 91 -0.100 3.664 -5.335 1.00 0.00 C ATOM 1114 O VAL A 91 -1.071 2.921 -5.559 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.063 4.651 -3.019 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.446 4.515 -2.677 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.745 5.691 -2.122 1.00 0.00 C ATOM 0 H VAL A 91 -2.347 5.153 -4.267 1.00 0.00 H new ATOM 0 HA VAL A 91 0.450 5.730 -4.845 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.538 3.691 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.560 4.297 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.880 3.705 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.958 5.448 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.574 5.437 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.330 6.678 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.816 5.699 -2.323 1.00 0.00 H new ATOM 1127 N HIS A 92 1.139 3.395 -5.733 1.00 0.00 N ATOM 1128 CA HIS A 92 1.516 2.137 -6.371 1.00 0.00 C ATOM 1129 C HIS A 92 1.864 1.138 -5.265 1.00 0.00 C ATOM 1130 O HIS A 92 2.514 1.499 -4.284 1.00 0.00 O ATOM 1131 CB HIS A 92 2.704 2.367 -7.339 1.00 0.00 C ATOM 1132 CG HIS A 92 2.399 3.382 -8.419 1.00 0.00 C ATOM 1133 ND1 HIS A 92 2.054 3.037 -9.708 1.00 0.00 N ATOM 1134 CD2 HIS A 92 2.338 4.740 -8.374 1.00 0.00 C ATOM 1135 CE1 HIS A 92 1.796 4.126 -10.404 1.00 0.00 C ATOM 1136 NE2 HIS A 92 1.961 5.171 -9.618 1.00 0.00 N ATOM 0 H HIS A 92 1.915 4.047 -5.622 1.00 0.00 H new ATOM 0 HA HIS A 92 0.695 1.739 -6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.571 2.701 -6.769 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.975 1.419 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.548 5.363 -7.517 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.500 4.157 -11.442 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.829 6.145 -9.892 1.00 0.00 H new ATOM 1145 N LEU A 93 1.357 -0.084 -5.384 1.00 0.00 N ATOM 1146 CA LEU A 93 1.625 -1.163 -4.427 1.00 0.00 C ATOM 1147 C LEU A 93 1.919 -2.442 -5.195 1.00 0.00 C ATOM 1148 O LEU A 93 1.241 -2.753 -6.174 1.00 0.00 O ATOM 1149 CB LEU A 93 0.414 -1.381 -3.485 1.00 0.00 C ATOM 1150 CG LEU A 93 0.570 -2.516 -2.413 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.662 -2.193 -1.389 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.755 -2.811 -1.705 1.00 0.00 C ATOM 0 H LEU A 93 0.744 -0.360 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 93 2.484 -0.889 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.210 -0.444 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.461 -1.604 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 93 0.874 -3.412 -2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.735 -3.006 -0.666 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.617 -2.075 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.412 -1.268 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.607 -3.602 -0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.107 -1.910 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.496 -3.131 -2.438 1.00 0.00 H new ATOM 1164 N VAL A 94 2.934 -3.173 -4.746 1.00 0.00 N ATOM 1165 CA VAL A 94 3.298 -4.474 -5.307 1.00 0.00 C ATOM 1166 C VAL A 94 3.245 -5.504 -4.179 1.00 0.00 C ATOM 1167 O VAL A 94 4.029 -5.432 -3.224 1.00 0.00 O ATOM 1168 CB VAL A 94 4.728 -4.470 -5.973 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.071 -5.857 -6.565 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.843 -3.374 -7.060 1.00 0.00 C ATOM 0 H VAL A 94 3.534 -2.878 -3.976 1.00 0.00 H new ATOM 0 HA VAL A 94 2.592 -4.721 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 94 5.450 -4.244 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.062 -5.825 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.059 -6.604 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.334 -6.121 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.841 -3.399 -7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.101 -3.553 -7.838 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.669 -2.396 -6.611 1.00 0.00 H new ATOM 1180 N ILE A 95 2.271 -6.421 -4.268 1.00 0.00 N ATOM 1181 CA ILE A 95 2.131 -7.534 -3.324 1.00 0.00 C ATOM 1182 C ILE A 95 2.589 -8.818 -4.014 1.00 0.00 C ATOM 1183 O ILE A 95 2.248 -9.037 -5.179 1.00 0.00 O ATOM 1184 CB ILE A 95 0.651 -7.736 -2.848 1.00 0.00 C ATOM 1185 CG1 ILE A 95 -0.016 -6.386 -2.443 1.00 0.00 C ATOM 1186 CG2 ILE A 95 0.604 -8.749 -1.674 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.443 -6.515 -1.943 1.00 0.00 C ATOM 0 H ILE A 95 1.559 -6.410 -4.998 1.00 0.00 H new ATOM 0 HA ILE A 95 2.738 -7.302 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 95 0.080 -8.137 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.587 -5.916 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.005 -5.717 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.428 -8.883 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.008 -9.706 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.199 -8.371 -0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.828 -5.529 -1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.064 -6.954 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.463 -7.155 -1.061 1.00 0.00 H new ATOM 1199 N LYS A 96 3.314 -9.675 -3.288 1.00 0.00 N ATOM 1200 CA LYS A 96 3.808 -10.944 -3.823 1.00 0.00 C ATOM 1201 C LYS A 96 3.076 -12.101 -3.114 1.00 0.00 C ATOM 1202 O LYS A 96 3.642 -12.815 -2.279 1.00 0.00 O ATOM 1203 CB LYS A 96 5.355 -11.019 -3.682 1.00 0.00 C ATOM 1204 CG LYS A 96 6.009 -12.240 -4.375 1.00 0.00 C ATOM 1205 CD LYS A 96 7.557 -12.176 -4.375 1.00 0.00 C ATOM 1206 CE LYS A 96 8.160 -12.097 -2.960 1.00 0.00 C ATOM 1207 NZ LYS A 96 9.642 -12.058 -2.991 1.00 0.00 N ATOM 0 H LYS A 96 3.573 -9.508 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 96 3.596 -11.024 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.789 -10.108 -4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.609 -11.041 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.688 -13.152 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.653 -12.301 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.951 -13.057 -4.882 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.878 -11.307 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.784 -11.207 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.832 -12.958 -2.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.008 -12.005 -2.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.002 -12.919 -3.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.956 -11.223 -3.525 1.00 0.00 H new