USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 715 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 46 THR OG1 : rot 112:sc= -0.188 USER MOD Set 1.2: A 69 GLN : amide:sc= -4.52 X(o=-13,f=-13!) USER MOD Set 1.3: A 71 MET CE :methyl 177:sc= -8.41! (180deg=-8.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= -1.26 (180deg=-1.37) USER MOD Single : A 26 GLN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -170:sc= 0.74 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.07 K(o=-2.1,f=-0.61) USER MOD Single : A 52 MET CE :methyl -168:sc= -2.9! (180deg=-4.16!) USER MOD Single : A 53 MET CE :methyl -162:sc= -1.97 (180deg=-2.51!) USER MOD Single : A 54 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.8) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -55:sc= -0.325 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.48) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.672 K(o=-0.67,f=-1.8) USER MOD Single : A 76 THR OG1 : rot 78:sc= 0.389 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 64:sc= -0.823 USER MOD Single : A 87 GLN : amide:sc= -5.29! C(o=-5.3!,f=-11!) USER MOD Single : A 88 SER OG : rot 89:sc= 1.27 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -2.78 K(o=-2.8,f=-3.8!) USER MOD Single : A 96 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.86) USER MOD Single : A 97 SER OG : rot -43:sc= 1.1 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.655 K(o=-0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -3.121 -7.276 -10.031 1.00 0.00 N ATOM 2 CA GLU A 17 -3.267 -5.956 -10.631 1.00 0.00 C ATOM 3 C GLU A 17 -2.190 -4.999 -10.128 1.00 0.00 C ATOM 4 O GLU A 17 -2.406 -4.251 -9.174 1.00 0.00 O ATOM 5 CB GLU A 17 -4.653 -5.385 -10.322 1.00 0.00 C ATOM 6 CG GLU A 17 -5.733 -5.856 -11.283 1.00 0.00 C ATOM 7 CD GLU A 17 -6.693 -4.748 -11.669 1.00 0.00 C ATOM 8 OE1 GLU A 17 -7.540 -4.375 -10.830 1.00 0.00 O ATOM 9 OE2 GLU A 17 -6.599 -4.253 -12.812 1.00 0.00 O ATOM 0 HA GLU A 17 -3.153 -6.064 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.934 -5.665 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.603 -4.297 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.265 -6.256 -12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.291 -6.672 -10.825 1.00 0.00 H new ATOM 16 N PHE A 18 -1.031 -5.023 -10.780 1.00 0.00 N ATOM 17 CA PHE A 18 0.076 -4.149 -10.405 1.00 0.00 C ATOM 18 C PHE A 18 -0.341 -2.687 -10.527 1.00 0.00 C ATOM 19 O PHE A 18 -1.173 -2.343 -11.367 1.00 0.00 O ATOM 20 CB PHE A 18 1.293 -4.428 -11.288 1.00 0.00 C ATOM 21 CG PHE A 18 2.321 -5.306 -10.633 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.153 -6.681 -10.593 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.454 -4.755 -10.058 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.098 -7.490 -9.990 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.402 -5.559 -9.454 1.00 0.00 C ATOM 26 CZ PHE A 18 4.223 -6.928 -9.420 1.00 0.00 C ATOM 0 H PHE A 18 -0.834 -5.638 -11.570 1.00 0.00 H new ATOM 0 HA PHE A 18 0.344 -4.350 -9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.960 -4.900 -12.213 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.758 -3.481 -11.562 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.275 -7.125 -11.038 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.598 -3.685 -10.082 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.956 -8.560 -9.965 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.282 -5.117 -9.009 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.962 -7.558 -8.948 1.00 0.00 H new ATOM 36 N LYS A 19 0.222 -1.829 -9.681 1.00 0.00 N ATOM 37 CA LYS A 19 -0.127 -0.414 -9.708 1.00 0.00 C ATOM 38 C LYS A 19 1.066 0.488 -9.394 1.00 0.00 C ATOM 39 O LYS A 19 1.578 0.489 -8.274 1.00 0.00 O ATOM 40 CB LYS A 19 -1.255 -0.143 -8.708 1.00 0.00 C ATOM 41 CG LYS A 19 -2.509 0.432 -9.345 1.00 0.00 C ATOM 42 CD LYS A 19 -3.704 0.327 -8.412 1.00 0.00 C ATOM 43 CE LYS A 19 -4.951 0.937 -9.035 1.00 0.00 C ATOM 44 NZ LYS A 19 -5.731 -0.066 -9.813 1.00 0.00 N ATOM 0 H LYS A 19 0.914 -2.085 -8.977 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.455 -0.179 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.510 -1.073 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.895 0.548 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.340 1.477 -9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.723 -0.098 -10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.890 -0.720 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.480 0.833 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.580 1.357 -8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.664 1.761 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.572 0.389 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.139 -0.449 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.027 -0.840 -9.184 1.00 0.00 H new ATOM 58 N ASP A 20 1.474 1.282 -10.380 1.00 0.00 N ATOM 59 CA ASP A 20 2.574 2.227 -10.199 1.00 0.00 C ATOM 60 C ASP A 20 2.074 3.414 -9.393 1.00 0.00 C ATOM 61 O ASP A 20 1.815 4.487 -9.938 1.00 0.00 O ATOM 62 CB ASP A 20 3.107 2.697 -11.556 1.00 0.00 C ATOM 63 CG ASP A 20 3.343 1.546 -12.515 1.00 0.00 C ATOM 64 OD1 ASP A 20 2.399 0.760 -12.743 1.00 0.00 O ATOM 65 OD2 ASP A 20 4.472 1.431 -13.038 1.00 0.00 O ATOM 0 H ASP A 20 1.060 1.291 -11.312 1.00 0.00 H new ATOM 0 HA ASP A 20 3.389 1.737 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.398 3.396 -11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.040 3.240 -11.408 1.00 0.00 H new ATOM 70 N VAL A 21 1.915 3.204 -8.092 1.00 0.00 N ATOM 71 CA VAL A 21 1.416 4.245 -7.211 1.00 0.00 C ATOM 72 C VAL A 21 2.395 5.397 -7.101 1.00 0.00 C ATOM 73 O VAL A 21 3.535 5.222 -6.672 1.00 0.00 O ATOM 74 CB VAL A 21 1.116 3.701 -5.801 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.511 4.786 -4.921 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.193 2.496 -5.882 1.00 0.00 C ATOM 0 H VAL A 21 2.125 2.321 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 21 0.489 4.607 -7.656 1.00 0.00 H new ATOM 0 HB VAL A 21 2.056 3.384 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.307 4.379 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.211 5.617 -4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.419 5.139 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.009 2.124 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.744 2.787 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.669 1.712 -6.470 1.00 0.00 H new ATOM 86 N PHE A 22 1.934 6.579 -7.476 1.00 0.00 N ATOM 87 CA PHE A 22 2.755 7.770 -7.403 1.00 0.00 C ATOM 88 C PHE A 22 2.157 8.742 -6.397 1.00 0.00 C ATOM 89 O PHE A 22 1.160 9.406 -6.681 1.00 0.00 O ATOM 90 CB PHE A 22 2.853 8.438 -8.778 1.00 0.00 C ATOM 91 CG PHE A 22 4.182 9.087 -9.066 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.205 9.092 -8.125 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.407 9.695 -10.291 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.415 9.686 -8.403 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.620 10.289 -10.572 1.00 0.00 C ATOM 96 CZ PHE A 22 6.624 10.284 -9.626 1.00 0.00 C ATOM 0 H PHE A 22 0.992 6.736 -7.835 1.00 0.00 H new ATOM 0 HA PHE A 22 3.758 7.487 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.655 7.690 -9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.070 9.192 -8.858 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.048 8.624 -7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.624 9.704 -11.034 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.201 9.683 -7.662 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.783 10.757 -11.531 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.574 10.749 -9.844 1.00 0.00 H new ATOM 106 N ILE A 23 2.760 8.815 -5.219 1.00 0.00 N ATOM 107 CA ILE A 23 2.267 9.702 -4.178 1.00 0.00 C ATOM 108 C ILE A 23 3.072 10.990 -4.137 1.00 0.00 C ATOM 109 O ILE A 23 4.190 11.020 -3.631 1.00 0.00 O ATOM 110 CB ILE A 23 2.318 9.026 -2.799 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.732 7.615 -2.891 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.573 9.859 -1.766 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.239 7.590 -3.144 1.00 0.00 C ATOM 0 H ILE A 23 3.586 8.274 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 23 1.229 9.935 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 23 3.357 8.951 -2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.236 7.074 -3.691 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.943 7.082 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.621 9.364 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.033 10.845 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.531 9.966 -2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.104 6.557 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.276 8.102 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.021 8.093 -4.086 1.00 0.00 H new ATOM 125 N GLU A 24 2.480 12.048 -4.669 1.00 0.00 N ATOM 126 CA GLU A 24 3.122 13.356 -4.703 1.00 0.00 C ATOM 127 C GLU A 24 2.670 14.196 -3.513 1.00 0.00 C ATOM 128 O GLU A 24 1.509 14.599 -3.433 1.00 0.00 O ATOM 129 CB GLU A 24 2.780 14.077 -6.011 1.00 0.00 C ATOM 130 CG GLU A 24 3.996 14.486 -6.824 1.00 0.00 C ATOM 131 CD GLU A 24 3.679 15.558 -7.848 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.863 15.289 -8.755 1.00 0.00 O ATOM 133 OE2 GLU A 24 4.246 16.667 -7.743 1.00 0.00 O ATOM 0 H GLU A 24 1.549 12.027 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 24 4.202 13.217 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.150 13.427 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.193 14.966 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.773 14.850 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.399 13.611 -7.333 1.00 0.00 H new ATOM 140 N LYS A 25 3.584 14.456 -2.586 1.00 0.00 N ATOM 141 CA LYS A 25 3.261 15.244 -1.403 1.00 0.00 C ATOM 142 C LYS A 25 4.290 16.347 -1.180 1.00 0.00 C ATOM 143 O LYS A 25 5.142 16.597 -2.032 1.00 0.00 O ATOM 144 CB LYS A 25 3.176 14.340 -0.170 1.00 0.00 C ATOM 145 CG LYS A 25 4.484 13.641 0.171 1.00 0.00 C ATOM 146 CD LYS A 25 4.240 12.266 0.769 1.00 0.00 C ATOM 147 CE LYS A 25 5.310 11.274 0.345 1.00 0.00 C ATOM 148 NZ LYS A 25 5.243 10.013 1.132 1.00 0.00 N ATOM 0 H LYS A 25 4.551 14.134 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 25 2.291 15.714 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.860 14.937 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.405 13.587 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.092 13.545 -0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.051 14.250 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.222 12.340 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.261 11.902 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.194 11.047 -0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.294 11.727 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.050 9.405 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.277 10.235 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.356 9.516 0.916 1.00 0.00 H new ATOM 162 N GLN A 26 4.203 17.003 -0.030 1.00 0.00 N ATOM 163 CA GLN A 26 5.127 18.077 0.308 1.00 0.00 C ATOM 164 C GLN A 26 6.182 17.586 1.291 1.00 0.00 C ATOM 165 O GLN A 26 5.892 16.779 2.175 1.00 0.00 O ATOM 166 CB GLN A 26 4.371 19.264 0.907 1.00 0.00 C ATOM 167 CG GLN A 26 3.818 20.222 -0.136 1.00 0.00 C ATOM 168 CD GLN A 26 2.301 20.235 -0.173 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.672 21.270 0.047 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.707 19.081 -0.453 1.00 0.00 N ATOM 0 H GLN A 26 3.501 16.810 0.685 1.00 0.00 H new ATOM 0 HA GLN A 26 5.623 18.400 -0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.549 18.890 1.517 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.039 19.811 1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.181 21.228 0.072 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.199 19.943 -1.118 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.269 18.248 -0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.689 19.028 -0.492 1.00 0.00 H new ATOM 179 N LYS A 27 7.406 18.076 1.134 1.00 0.00 N ATOM 180 CA LYS A 27 8.504 17.684 2.010 1.00 0.00 C ATOM 181 C LYS A 27 8.114 17.847 3.475 1.00 0.00 C ATOM 182 O LYS A 27 7.623 18.898 3.887 1.00 0.00 O ATOM 183 CB LYS A 27 9.750 18.503 1.695 1.00 0.00 C ATOM 184 CG LYS A 27 10.397 18.108 0.380 1.00 0.00 C ATOM 185 CD LYS A 27 11.865 17.763 0.559 1.00 0.00 C ATOM 186 CE LYS A 27 12.451 17.145 -0.699 1.00 0.00 C ATOM 187 NZ LYS A 27 13.738 17.787 -1.085 1.00 0.00 N ATOM 0 H LYS A 27 7.663 18.745 0.409 1.00 0.00 H new ATOM 0 HA LYS A 27 8.724 16.631 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.486 19.560 1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.473 18.381 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.871 17.252 -0.042 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.300 18.926 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.422 18.664 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.978 17.069 1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.611 16.079 -0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.737 17.241 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.105 17.337 -1.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.581 18.800 -1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.428 17.673 -0.315 1.00 0.00 H new ATOM 201 N GLY A 28 8.317 16.789 4.244 1.00 0.00 N ATOM 202 CA GLY A 28 7.964 16.809 5.647 1.00 0.00 C ATOM 203 C GLY A 28 6.633 16.127 5.897 1.00 0.00 C ATOM 204 O GLY A 28 6.066 16.236 6.984 1.00 0.00 O ATOM 0 H GLY A 28 8.723 15.911 3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.743 16.312 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.916 17.840 5.996 1.00 0.00 H new ATOM 208 N GLU A 29 6.130 15.426 4.882 1.00 0.00 N ATOM 209 CA GLU A 29 4.850 14.729 4.992 1.00 0.00 C ATOM 210 C GLU A 29 4.997 13.243 4.672 1.00 0.00 C ATOM 211 O GLU A 29 5.554 12.874 3.638 1.00 0.00 O ATOM 212 CB GLU A 29 3.820 15.363 4.057 1.00 0.00 C ATOM 213 CG GLU A 29 3.638 16.856 4.275 1.00 0.00 C ATOM 214 CD GLU A 29 2.572 17.167 5.306 1.00 0.00 C ATOM 215 OE1 GLU A 29 1.503 16.522 5.269 1.00 0.00 O ATOM 216 OE2 GLU A 29 2.807 18.056 6.152 1.00 0.00 O ATOM 0 H GLU A 29 6.588 15.326 3.976 1.00 0.00 H new ATOM 0 HA GLU A 29 4.507 14.823 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.123 15.189 3.025 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.861 14.864 4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.585 17.291 4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.373 17.328 3.329 1.00 0.00 H new ATOM 223 N ILE A 30 4.488 12.395 5.563 1.00 0.00 N ATOM 224 CA ILE A 30 4.556 10.956 5.376 1.00 0.00 C ATOM 225 C ILE A 30 3.422 10.461 4.482 1.00 0.00 C ATOM 226 O ILE A 30 2.337 11.041 4.462 1.00 0.00 O ATOM 227 CB ILE A 30 4.502 10.219 6.727 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.146 10.435 7.394 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.629 10.688 7.634 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.479 9.151 7.849 1.00 0.00 C ATOM 0 H ILE A 30 4.023 12.686 6.423 1.00 0.00 H new ATOM 0 HA ILE A 30 5.508 10.739 4.891 1.00 0.00 H new ATOM 0 HB ILE A 30 4.631 9.152 6.548 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.275 11.092 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.486 10.950 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.576 10.157 8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.588 10.484 7.158 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.532 11.759 7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.521 9.384 8.313 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.318 8.500 6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.119 8.645 8.572 1.00 0.00 H new ATOM 242 N LEU A 31 3.680 9.383 3.745 1.00 0.00 N ATOM 243 CA LEU A 31 2.680 8.805 2.849 1.00 0.00 C ATOM 244 C LEU A 31 1.338 8.650 3.559 1.00 0.00 C ATOM 245 O LEU A 31 0.291 9.008 3.017 1.00 0.00 O ATOM 246 CB LEU A 31 3.161 7.444 2.339 1.00 0.00 C ATOM 247 CG LEU A 31 2.902 7.173 0.857 1.00 0.00 C ATOM 248 CD1 LEU A 31 3.954 6.227 0.299 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.506 6.601 0.654 1.00 0.00 C ATOM 0 H LEU A 31 4.574 8.891 3.750 1.00 0.00 H new ATOM 0 HA LEU A 31 2.545 9.480 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.232 7.363 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.676 6.663 2.924 1.00 0.00 H new ATOM 0 HG LEU A 31 2.966 8.118 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.755 6.044 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.942 6.675 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.920 5.283 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.340 6.415 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.412 5.666 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.765 7.313 1.018 1.00 0.00 H new ATOM 261 N GLY A 32 1.380 8.121 4.776 1.00 0.00 N ATOM 262 CA GLY A 32 0.165 7.932 5.546 1.00 0.00 C ATOM 263 C GLY A 32 -0.396 6.527 5.435 1.00 0.00 C ATOM 264 O GLY A 32 -1.497 6.256 5.915 1.00 0.00 O ATOM 0 H GLY A 32 2.235 7.819 5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.367 8.154 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.587 8.645 5.208 1.00 0.00 H new ATOM 268 N VAL A 33 0.355 5.630 4.804 1.00 0.00 N ATOM 269 CA VAL A 33 -0.090 4.252 4.643 1.00 0.00 C ATOM 270 C VAL A 33 0.480 3.353 5.730 1.00 0.00 C ATOM 271 O VAL A 33 1.693 3.297 5.931 1.00 0.00 O ATOM 272 CB VAL A 33 0.314 3.677 3.274 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.578 4.235 2.179 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.781 3.959 2.986 1.00 0.00 C ATOM 0 H VAL A 33 1.269 5.832 4.398 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.177 4.274 4.718 1.00 0.00 H new ATOM 0 HB VAL A 33 0.181 2.595 3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.278 3.818 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.615 3.968 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.482 5.320 2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.047 3.544 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.950 5.036 2.980 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.398 3.499 3.758 1.00 0.00 H new ATOM 284 N VAL A 34 -0.400 2.641 6.420 1.00 0.00 N ATOM 285 CA VAL A 34 0.018 1.731 7.476 1.00 0.00 C ATOM 286 C VAL A 34 -0.020 0.295 6.974 1.00 0.00 C ATOM 287 O VAL A 34 -1.080 -0.332 6.929 1.00 0.00 O ATOM 288 CB VAL A 34 -0.876 1.859 8.727 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.129 1.381 9.962 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.348 3.296 8.909 1.00 0.00 C ATOM 0 H VAL A 34 -1.408 2.676 6.267 1.00 0.00 H new ATOM 0 HA VAL A 34 1.037 2.000 7.756 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.754 1.229 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.773 1.477 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.155 0.336 9.834 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.767 1.986 10.102 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.977 3.363 9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.484 3.951 9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.921 3.604 8.035 1.00 0.00 H new ATOM 300 N ILE A 35 1.140 -0.220 6.580 1.00 0.00 N ATOM 301 CA ILE A 35 1.222 -1.578 6.063 1.00 0.00 C ATOM 302 C ILE A 35 1.767 -2.555 7.097 1.00 0.00 C ATOM 303 O ILE A 35 2.558 -2.186 7.967 1.00 0.00 O ATOM 304 CB ILE A 35 2.092 -1.667 4.792 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.469 -1.031 5.008 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.383 -1.004 3.621 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.391 -1.827 5.907 1.00 0.00 C ATOM 0 H ILE A 35 2.029 0.279 6.609 1.00 0.00 H new ATOM 0 HA ILE A 35 0.198 -1.855 5.814 1.00 0.00 H new ATOM 0 HB ILE A 35 2.244 -2.722 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.951 -0.899 4.039 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.334 -0.037 5.435 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.008 -1.074 2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.433 -1.507 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.199 0.045 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.343 -1.305 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.934 -1.937 6.890 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.561 -2.812 5.473 1.00 0.00 H new ATOM 319 N VAL A 36 1.345 -3.807 6.980 1.00 0.00 N ATOM 320 CA VAL A 36 1.786 -4.860 7.882 1.00 0.00 C ATOM 321 C VAL A 36 2.213 -6.091 7.086 1.00 0.00 C ATOM 322 O VAL A 36 1.825 -6.254 5.931 1.00 0.00 O ATOM 323 CB VAL A 36 0.677 -5.258 8.877 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.430 -4.136 9.874 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.604 -5.617 8.138 1.00 0.00 C ATOM 0 H VAL A 36 0.692 -4.119 6.262 1.00 0.00 H new ATOM 0 HA VAL A 36 2.633 -4.472 8.448 1.00 0.00 H new ATOM 0 HB VAL A 36 1.007 -6.139 9.428 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.355 -4.433 10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.347 -3.933 10.428 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.122 -3.237 9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.374 -5.895 8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.942 -4.758 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.415 -6.455 7.468 1.00 0.00 H new ATOM 335 N GLU A 37 3.016 -6.949 7.701 1.00 0.00 N ATOM 336 CA GLU A 37 3.495 -8.154 7.032 1.00 0.00 C ATOM 337 C GLU A 37 2.330 -9.022 6.560 1.00 0.00 C ATOM 338 O GLU A 37 1.545 -9.518 7.368 1.00 0.00 O ATOM 339 CB GLU A 37 4.398 -8.960 7.968 1.00 0.00 C ATOM 340 CG GLU A 37 5.851 -8.521 7.935 1.00 0.00 C ATOM 341 CD GLU A 37 6.701 -9.385 7.025 1.00 0.00 C ATOM 342 OE1 GLU A 37 7.044 -10.516 7.430 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.022 -8.932 5.906 1.00 0.00 O ATOM 0 H GLU A 37 3.349 -6.835 8.658 1.00 0.00 H new ATOM 0 HA GLU A 37 4.070 -7.845 6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.023 -8.871 8.988 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.339 -10.014 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.906 -7.485 7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.259 -8.553 8.945 1.00 0.00 H new ATOM 350 N SER A 38 2.226 -9.204 5.245 1.00 0.00 N ATOM 351 CA SER A 38 1.160 -10.016 4.664 1.00 0.00 C ATOM 352 C SER A 38 1.299 -11.474 5.090 1.00 0.00 C ATOM 353 O SER A 38 2.182 -12.189 4.615 1.00 0.00 O ATOM 354 CB SER A 38 1.180 -9.909 3.135 1.00 0.00 C ATOM 355 OG SER A 38 2.338 -9.232 2.683 1.00 0.00 O ATOM 0 H SER A 38 2.867 -8.800 4.562 1.00 0.00 H new ATOM 0 HA SER A 38 0.206 -9.638 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.145 -10.907 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.290 -9.380 2.793 1.00 0.00 H new ATOM 0 HG SER A 38 2.251 -9.038 1.726 1.00 0.00 H new ATOM 361 N GLY A 39 0.425 -11.908 5.992 1.00 0.00 N ATOM 362 CA GLY A 39 0.471 -13.278 6.471 1.00 0.00 C ATOM 363 C GLY A 39 -0.468 -14.204 5.719 1.00 0.00 C ATOM 364 O GLY A 39 -0.519 -15.401 5.998 1.00 0.00 O ATOM 0 H GLY A 39 -0.314 -11.336 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.490 -13.654 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.217 -13.295 7.531 1.00 0.00 H new ATOM 368 N TRP A 40 -1.213 -13.656 4.761 1.00 0.00 N ATOM 369 CA TRP A 40 -2.148 -14.454 3.976 1.00 0.00 C ATOM 370 C TRP A 40 -1.409 -15.284 2.932 1.00 0.00 C ATOM 371 O TRP A 40 -0.178 -15.314 2.909 1.00 0.00 O ATOM 372 CB TRP A 40 -3.181 -13.552 3.296 1.00 0.00 C ATOM 373 CG TRP A 40 -2.573 -12.428 2.514 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.264 -12.298 2.141 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.251 -11.276 2.009 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.090 -11.131 1.437 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.296 -10.486 1.342 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.576 -10.834 2.055 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.624 -9.281 0.728 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -4.902 -9.638 1.445 1.00 0.00 C ATOM 381 CH2 TRP A 40 -3.929 -8.873 0.789 1.00 0.00 C ATOM 0 H TRP A 40 -1.187 -12.667 4.512 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.665 -15.133 4.654 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.796 -14.156 2.629 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.845 -13.138 4.055 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.482 -13.008 2.367 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.207 -10.799 1.048 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.332 -11.417 2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.876 -8.689 0.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.923 -9.287 1.474 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.214 -7.942 0.322 1.00 0.00 H new ATOM 392 N GLY A 41 -2.163 -15.960 2.074 1.00 0.00 N ATOM 393 CA GLY A 41 -1.556 -16.784 1.045 1.00 0.00 C ATOM 394 C GLY A 41 -2.066 -16.460 -0.346 1.00 0.00 C ATOM 395 O GLY A 41 -2.165 -17.341 -1.198 1.00 0.00 O ATOM 0 H GLY A 41 -3.183 -15.953 2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.475 -16.651 1.070 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.753 -17.834 1.264 1.00 0.00 H new ATOM 399 N SER A 42 -2.389 -15.191 -0.578 1.00 0.00 N ATOM 400 CA SER A 42 -2.887 -14.759 -1.879 1.00 0.00 C ATOM 401 C SER A 42 -1.735 -14.375 -2.794 1.00 0.00 C ATOM 402 O SER A 42 -1.757 -14.647 -3.994 1.00 0.00 O ATOM 403 CB SER A 42 -3.851 -13.582 -1.721 1.00 0.00 C ATOM 404 OG SER A 42 -4.974 -13.723 -2.574 1.00 0.00 O ATOM 0 H SER A 42 -2.315 -14.447 0.115 1.00 0.00 H new ATOM 0 HA SER A 42 -3.425 -15.592 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.183 -13.517 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.333 -12.651 -1.948 1.00 0.00 H new ATOM 0 HG SER A 42 -5.575 -12.959 -2.452 1.00 0.00 H new ATOM 410 N ILE A 43 -0.730 -13.750 -2.208 1.00 0.00 N ATOM 411 CA ILE A 43 0.453 -13.325 -2.949 1.00 0.00 C ATOM 412 C ILE A 43 1.704 -13.462 -2.088 1.00 0.00 C ATOM 413 O ILE A 43 1.656 -14.030 -0.996 1.00 0.00 O ATOM 414 CB ILE A 43 0.345 -11.861 -3.444 1.00 0.00 C ATOM 415 CG1 ILE A 43 -1.095 -11.346 -3.358 1.00 0.00 C ATOM 416 CG2 ILE A 43 0.861 -11.749 -4.870 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.496 -10.906 -1.969 1.00 0.00 C ATOM 0 H ILE A 43 -0.706 -13.522 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 43 0.522 -13.977 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 43 0.961 -11.241 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.214 -10.508 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.774 -12.131 -3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.780 -10.715 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.905 -12.061 -4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.269 -12.390 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.527 -10.553 -1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.409 -11.747 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.841 -10.099 -1.640 1.00 0.00 H new ATOM 429 N LEU A 44 2.822 -12.940 -2.583 1.00 0.00 N ATOM 430 CA LEU A 44 4.080 -13.008 -1.849 1.00 0.00 C ATOM 431 C LEU A 44 4.025 -12.126 -0.602 1.00 0.00 C ATOM 432 O LEU A 44 3.632 -10.961 -0.676 1.00 0.00 O ATOM 433 CB LEU A 44 5.249 -12.583 -2.743 1.00 0.00 C ATOM 434 CG LEU A 44 5.002 -11.334 -3.594 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.259 -10.479 -3.664 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.545 -11.721 -4.992 1.00 0.00 C ATOM 0 H LEU A 44 2.882 -12.468 -3.485 1.00 0.00 H new ATOM 0 HA LEU A 44 4.235 -14.041 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.121 -12.407 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.497 -13.411 -3.407 1.00 0.00 H new ATOM 0 HG LEU A 44 4.212 -10.749 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.065 -9.596 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.546 -10.171 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.068 -11.057 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.375 -10.820 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.313 -12.328 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.619 -12.293 -4.927 1.00 0.00 H new ATOM 448 N PRO A 45 4.411 -12.671 0.567 1.00 0.00 N ATOM 449 CA PRO A 45 4.396 -11.922 1.830 1.00 0.00 C ATOM 450 C PRO A 45 5.340 -10.724 1.809 1.00 0.00 C ATOM 451 O PRO A 45 6.558 -10.883 1.757 1.00 0.00 O ATOM 452 CB PRO A 45 4.860 -12.949 2.869 1.00 0.00 C ATOM 453 CG PRO A 45 5.577 -13.993 2.086 1.00 0.00 C ATOM 454 CD PRO A 45 4.890 -14.051 0.754 1.00 0.00 C ATOM 0 HA PRO A 45 3.411 -11.505 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.516 -12.492 3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.014 -13.373 3.410 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.631 -13.740 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.534 -14.958 2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.574 -14.352 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.068 -14.767 0.755 1.00 0.00 H new ATOM 462 N THR A 46 4.767 -9.524 1.856 1.00 0.00 N ATOM 463 CA THR A 46 5.559 -8.302 1.846 1.00 0.00 C ATOM 464 C THR A 46 4.968 -7.255 2.784 1.00 0.00 C ATOM 465 O THR A 46 5.529 -6.967 3.841 1.00 0.00 O ATOM 466 CB THR A 46 5.650 -7.732 0.431 1.00 0.00 C ATOM 467 OG1 THR A 46 4.371 -7.345 -0.039 1.00 0.00 O ATOM 468 CG2 THR A 46 6.230 -8.705 -0.570 1.00 0.00 C ATOM 0 H THR A 46 3.759 -9.374 1.901 1.00 0.00 H new ATOM 0 HA THR A 46 6.560 -8.555 2.195 1.00 0.00 H new ATOM 0 HB THR A 46 6.318 -6.874 0.510 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.336 -6.370 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.266 -8.237 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.238 -8.984 -0.264 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.604 -9.596 -0.615 1.00 0.00 H new ATOM 476 N VAL A 47 3.839 -6.675 2.383 1.00 0.00 N ATOM 477 CA VAL A 47 3.186 -5.647 3.186 1.00 0.00 C ATOM 478 C VAL A 47 1.718 -5.479 2.809 1.00 0.00 C ATOM 479 O VAL A 47 1.336 -5.654 1.652 1.00 0.00 O ATOM 480 CB VAL A 47 3.895 -4.290 3.029 1.00 0.00 C ATOM 481 CG1 VAL A 47 5.043 -4.173 4.016 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.391 -4.103 1.605 1.00 0.00 C ATOM 0 H VAL A 47 3.360 -6.899 1.511 1.00 0.00 H new ATOM 0 HA VAL A 47 3.249 -5.978 4.223 1.00 0.00 H new ATOM 0 HB VAL A 47 3.175 -3.500 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.533 -3.207 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.659 -4.256 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.762 -4.971 3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.889 -3.137 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.095 -4.898 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.546 -4.140 0.918 1.00 0.00 H new ATOM 492 N ILE A 48 0.903 -5.126 3.798 1.00 0.00 N ATOM 493 CA ILE A 48 -0.526 -4.915 3.586 1.00 0.00 C ATOM 494 C ILE A 48 -0.960 -3.577 4.157 1.00 0.00 C ATOM 495 O ILE A 48 -0.948 -3.398 5.371 1.00 0.00 O ATOM 496 CB ILE A 48 -1.408 -5.994 4.258 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.625 -7.264 4.596 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.600 -6.321 3.379 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.845 -7.717 6.024 1.00 0.00 C ATOM 0 H ILE A 48 1.210 -4.979 4.760 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.665 -4.960 2.506 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.761 -5.579 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.921 -8.062 3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.438 -7.086 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.212 -7.082 3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.195 -5.421 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.251 -6.696 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.267 -8.622 6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.523 -6.932 6.708 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.904 -7.924 6.181 1.00 0.00 H new ATOM 511 N ILE A 49 -1.373 -2.656 3.293 1.00 0.00 N ATOM 512 CA ILE A 49 -1.842 -1.352 3.749 1.00 0.00 C ATOM 513 C ILE A 49 -3.057 -1.538 4.648 1.00 0.00 C ATOM 514 O ILE A 49 -4.187 -1.254 4.256 1.00 0.00 O ATOM 515 CB ILE A 49 -2.211 -0.434 2.568 1.00 0.00 C ATOM 516 CG1 ILE A 49 -0.997 -0.226 1.662 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.739 0.905 3.069 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.363 0.154 0.244 1.00 0.00 C ATOM 0 H ILE A 49 -1.393 -2.786 2.281 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.032 -0.877 4.302 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.000 -0.915 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.365 0.553 2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.406 -1.141 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.993 1.537 2.218 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.628 0.741 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.974 1.396 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.454 0.286 -0.343 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.970 -0.635 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.929 1.086 0.251 1.00 0.00 H new ATOM 530 N ALA A 50 -2.812 -2.034 5.856 1.00 0.00 N ATOM 531 CA ALA A 50 -3.880 -2.276 6.807 1.00 0.00 C ATOM 532 C ALA A 50 -4.674 -0.999 7.050 1.00 0.00 C ATOM 533 O ALA A 50 -5.866 -1.039 7.353 1.00 0.00 O ATOM 534 CB ALA A 50 -3.310 -2.820 8.109 1.00 0.00 C ATOM 0 H ALA A 50 -1.881 -2.275 6.196 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.559 -3.022 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.121 -2.998 8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.787 -3.756 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.613 -2.096 8.532 1.00 0.00 H new ATOM 540 N ASN A 51 -3.998 0.138 6.900 1.00 0.00 N ATOM 541 CA ASN A 51 -4.627 1.437 7.083 1.00 0.00 C ATOM 542 C ASN A 51 -4.038 2.459 6.123 1.00 0.00 C ATOM 543 O ASN A 51 -3.035 2.201 5.459 1.00 0.00 O ATOM 544 CB ASN A 51 -4.465 1.922 8.526 1.00 0.00 C ATOM 545 CG ASN A 51 -5.195 1.041 9.515 1.00 0.00 C ATOM 546 OD1 ASN A 51 -4.651 0.664 10.552 1.00 0.00 O ATOM 547 ND2 ASN A 51 -6.437 0.708 9.195 1.00 0.00 N ATOM 0 H ASN A 51 -3.010 0.182 6.651 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.690 1.327 6.870 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.406 1.949 8.781 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.839 2.943 8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -6.983 0.115 9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.847 1.045 8.324 1.00 0.00 H new ATOM 554 N MET A 52 -4.680 3.614 6.051 1.00 0.00 N ATOM 555 CA MET A 52 -4.239 4.680 5.166 1.00 0.00 C ATOM 556 C MET A 52 -4.939 5.989 5.510 1.00 0.00 C ATOM 557 O MET A 52 -6.164 6.092 5.427 1.00 0.00 O ATOM 558 CB MET A 52 -4.517 4.291 3.721 1.00 0.00 C ATOM 559 CG MET A 52 -3.902 5.241 2.706 1.00 0.00 C ATOM 560 SD MET A 52 -5.056 5.732 1.411 1.00 0.00 S ATOM 561 CE MET A 52 -6.074 4.267 1.291 1.00 0.00 C ATOM 0 H MET A 52 -5.512 3.838 6.597 1.00 0.00 H new ATOM 0 HA MET A 52 -3.167 4.827 5.296 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.134 3.286 3.544 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.595 4.254 3.565 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.543 6.132 3.221 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.034 4.765 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.694 4.327 0.396 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.437 3.385 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.713 4.195 2.171 1.00 0.00 H new ATOM 571 N MET A 53 -4.155 6.988 5.906 1.00 0.00 N ATOM 572 CA MET A 53 -4.691 8.297 6.276 1.00 0.00 C ATOM 573 C MET A 53 -5.728 8.785 5.268 1.00 0.00 C ATOM 574 O MET A 53 -5.449 8.885 4.073 1.00 0.00 O ATOM 575 CB MET A 53 -3.557 9.319 6.389 1.00 0.00 C ATOM 576 CG MET A 53 -3.729 10.293 7.541 1.00 0.00 C ATOM 577 SD MET A 53 -2.157 10.795 8.268 1.00 0.00 S ATOM 578 CE MET A 53 -1.458 9.202 8.695 1.00 0.00 C ATOM 0 H MET A 53 -3.140 6.916 5.980 1.00 0.00 H new ATOM 0 HA MET A 53 -5.184 8.191 7.243 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.612 8.789 6.510 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.490 9.880 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.260 11.177 7.188 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.350 9.834 8.310 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.659 9.339 9.424 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.234 8.567 9.122 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.055 8.730 7.799 1.00 0.00 H new ATOM 588 N HIS A 54 -6.924 9.090 5.761 1.00 0.00 N ATOM 589 CA HIS A 54 -8.003 9.574 4.907 1.00 0.00 C ATOM 590 C HIS A 54 -7.681 10.965 4.371 1.00 0.00 C ATOM 591 O HIS A 54 -7.747 11.952 5.102 1.00 0.00 O ATOM 592 CB HIS A 54 -9.321 9.603 5.682 1.00 0.00 C ATOM 593 CG HIS A 54 -9.236 10.339 6.983 1.00 0.00 C ATOM 594 ND1 HIS A 54 -9.540 11.678 7.111 1.00 0.00 N ATOM 595 CD2 HIS A 54 -8.877 9.915 8.218 1.00 0.00 C ATOM 596 CE1 HIS A 54 -9.372 12.046 8.369 1.00 0.00 C ATOM 597 NE2 HIS A 54 -8.971 10.996 9.061 1.00 0.00 N ATOM 0 H HIS A 54 -7.171 9.011 6.748 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.104 8.891 4.063 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -10.088 10.067 5.061 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.643 8.579 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.574 8.915 8.489 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.535 13.038 8.764 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.764 10.988 10.060 1.00 0.00 H new ATOM 606 N GLY A 55 -7.329 11.031 3.092 1.00 0.00 N ATOM 607 CA GLY A 55 -6.998 12.302 2.480 1.00 0.00 C ATOM 608 C GLY A 55 -5.499 12.520 2.370 1.00 0.00 C ATOM 609 O GLY A 55 -5.044 13.375 1.610 1.00 0.00 O ATOM 0 H GLY A 55 -7.267 10.226 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.443 12.350 1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.438 13.109 3.066 1.00 0.00 H new ATOM 613 N GLY A 56 -4.731 11.745 3.132 1.00 0.00 N ATOM 614 CA GLY A 56 -3.287 11.874 3.102 1.00 0.00 C ATOM 615 C GLY A 56 -2.709 11.636 1.718 1.00 0.00 C ATOM 616 O GLY A 56 -3.452 11.398 0.766 1.00 0.00 O ATOM 0 H GLY A 56 -5.084 11.031 3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.008 12.871 3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.848 11.164 3.802 1.00 0.00 H new ATOM 620 N PRO A 57 -1.374 11.695 1.574 1.00 0.00 N ATOM 621 CA PRO A 57 -0.706 11.485 0.286 1.00 0.00 C ATOM 622 C PRO A 57 -1.155 10.202 -0.406 1.00 0.00 C ATOM 623 O PRO A 57 -1.468 10.206 -1.597 1.00 0.00 O ATOM 624 CB PRO A 57 0.774 11.400 0.666 1.00 0.00 C ATOM 625 CG PRO A 57 0.883 12.192 1.921 1.00 0.00 C ATOM 626 CD PRO A 57 -0.410 11.978 2.656 1.00 0.00 C ATOM 0 HA PRO A 57 -0.935 12.280 -0.424 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.085 10.367 0.820 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.409 11.810 -0.119 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.732 11.861 2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.039 13.249 1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.340 11.148 3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.697 12.859 3.230 1.00 0.00 H new ATOM 634 N ALA A 58 -1.186 9.104 0.344 1.00 0.00 N ATOM 635 CA ALA A 58 -1.595 7.821 -0.204 1.00 0.00 C ATOM 636 C ALA A 58 -3.006 7.893 -0.774 1.00 0.00 C ATOM 637 O ALA A 58 -3.253 7.469 -1.903 1.00 0.00 O ATOM 638 CB ALA A 58 -1.510 6.738 0.858 1.00 0.00 C ATOM 0 H ALA A 58 -0.932 9.080 1.332 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.913 7.570 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.820 5.784 0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.483 6.659 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.166 6.993 1.691 1.00 0.00 H new ATOM 644 N GLU A 59 -3.929 8.438 0.011 1.00 0.00 N ATOM 645 CA GLU A 59 -5.310 8.571 -0.419 1.00 0.00 C ATOM 646 C GLU A 59 -5.441 9.650 -1.488 1.00 0.00 C ATOM 647 O GLU A 59 -6.353 9.619 -2.314 1.00 0.00 O ATOM 648 CB GLU A 59 -6.205 8.910 0.773 1.00 0.00 C ATOM 649 CG GLU A 59 -7.674 9.024 0.410 1.00 0.00 C ATOM 650 CD GLU A 59 -8.562 8.154 1.278 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.456 6.913 1.179 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.362 8.712 2.058 1.00 0.00 O ATOM 0 H GLU A 59 -3.742 8.794 0.948 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.627 7.619 -0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.086 8.142 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.873 9.851 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.987 10.064 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.808 8.744 -0.635 1.00 0.00 H new ATOM 659 N LYS A 60 -4.522 10.605 -1.457 1.00 0.00 N ATOM 660 CA LYS A 60 -4.520 11.704 -2.410 1.00 0.00 C ATOM 661 C LYS A 60 -4.308 11.197 -3.831 1.00 0.00 C ATOM 662 O LYS A 60 -5.048 11.556 -4.746 1.00 0.00 O ATOM 663 CB LYS A 60 -3.432 12.717 -2.049 1.00 0.00 C ATOM 664 CG LYS A 60 -3.897 13.790 -1.076 1.00 0.00 C ATOM 665 CD LYS A 60 -4.140 15.116 -1.780 1.00 0.00 C ATOM 666 CE LYS A 60 -3.045 16.125 -1.467 1.00 0.00 C ATOM 667 NZ LYS A 60 -3.605 17.451 -1.085 1.00 0.00 N ATOM 0 H LYS A 60 -3.763 10.640 -0.776 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.493 12.192 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.584 12.187 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.076 13.195 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.814 13.464 -0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.148 13.924 -0.295 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.189 14.953 -2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.105 15.519 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.423 15.746 -0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.398 16.241 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.827 18.110 -0.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.178 17.825 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.202 17.345 -0.240 1.00 0.00 H new ATOM 681 N SER A 61 -3.295 10.353 -4.009 1.00 0.00 N ATOM 682 CA SER A 61 -2.985 9.790 -5.316 1.00 0.00 C ATOM 683 C SER A 61 -4.218 9.141 -5.933 1.00 0.00 C ATOM 684 O SER A 61 -4.440 9.223 -7.140 1.00 0.00 O ATOM 685 CB SER A 61 -1.864 8.759 -5.194 1.00 0.00 C ATOM 686 OG SER A 61 -2.233 7.705 -4.321 1.00 0.00 O ATOM 0 H SER A 61 -2.674 10.044 -3.261 1.00 0.00 H new ATOM 0 HA SER A 61 -2.658 10.601 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.629 8.355 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.960 9.242 -4.824 1.00 0.00 H new ATOM 0 HG SER A 61 -2.493 8.076 -3.452 1.00 0.00 H new ATOM 692 N GLY A 62 -5.014 8.493 -5.091 1.00 0.00 N ATOM 693 CA GLY A 62 -6.214 7.831 -5.565 1.00 0.00 C ATOM 694 C GLY A 62 -5.925 6.451 -6.118 1.00 0.00 C ATOM 695 O GLY A 62 -6.660 5.946 -6.967 1.00 0.00 O ATOM 0 H GLY A 62 -4.849 8.414 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.930 7.750 -4.747 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.682 8.440 -6.339 1.00 0.00 H new ATOM 699 N LYS A 63 -4.845 5.842 -5.636 1.00 0.00 N ATOM 700 CA LYS A 63 -4.451 4.513 -6.087 1.00 0.00 C ATOM 701 C LYS A 63 -4.484 3.520 -4.934 1.00 0.00 C ATOM 702 O LYS A 63 -5.223 2.537 -4.967 1.00 0.00 O ATOM 703 CB LYS A 63 -3.039 4.537 -6.684 1.00 0.00 C ATOM 704 CG LYS A 63 -2.656 5.855 -7.345 1.00 0.00 C ATOM 705 CD LYS A 63 -3.032 5.874 -8.818 1.00 0.00 C ATOM 706 CE LYS A 63 -4.246 6.752 -9.073 1.00 0.00 C ATOM 707 NZ LYS A 63 -4.635 6.758 -10.509 1.00 0.00 N ATOM 0 H LYS A 63 -4.228 6.249 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.162 4.202 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.320 4.319 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.956 3.738 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.153 6.678 -6.832 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.583 6.016 -7.241 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.189 6.238 -9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.239 4.858 -9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.083 6.397 -8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.031 7.771 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.467 7.368 -10.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.846 7.120 -11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.865 5.790 -10.810 1.00 0.00 H new ATOM 721 N LEU A 64 -3.661 3.778 -3.923 1.00 0.00 N ATOM 722 CA LEU A 64 -3.579 2.903 -2.765 1.00 0.00 C ATOM 723 C LEU A 64 -4.870 2.902 -1.965 1.00 0.00 C ATOM 724 O LEU A 64 -5.415 3.955 -1.629 1.00 0.00 O ATOM 725 CB LEU A 64 -2.411 3.308 -1.866 1.00 0.00 C ATOM 726 CG LEU A 64 -1.024 2.943 -2.398 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.023 3.073 -1.303 1.00 0.00 C ATOM 728 CD2 LEU A 64 -1.020 1.534 -2.972 1.00 0.00 C ATOM 0 H LEU A 64 -3.042 4.588 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.413 1.892 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.451 4.386 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.544 2.839 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.774 3.640 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.002 2.809 -1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.044 4.101 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.226 2.403 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.024 1.296 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.296 0.823 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.738 1.472 -3.790 1.00 0.00 H new ATOM 740 N ASN A 65 -5.340 1.705 -1.657 1.00 0.00 N ATOM 741 CA ASN A 65 -6.561 1.526 -0.884 1.00 0.00 C ATOM 742 C ASN A 65 -6.345 0.481 0.202 1.00 0.00 C ATOM 743 O ASN A 65 -5.955 -0.649 -0.089 1.00 0.00 O ATOM 744 CB ASN A 65 -7.716 1.103 -1.795 1.00 0.00 C ATOM 745 CG ASN A 65 -7.750 1.886 -3.094 1.00 0.00 C ATOM 746 OD1 ASN A 65 -8.138 3.053 -3.120 1.00 0.00 O ATOM 747 ND2 ASN A 65 -7.341 1.241 -4.181 1.00 0.00 N ATOM 0 H ASN A 65 -4.890 0.833 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.817 2.477 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.628 0.040 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.660 1.241 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.340 1.714 -5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.027 0.273 -4.112 1.00 0.00 H new ATOM 754 N ILE A 66 -6.595 0.868 1.457 1.00 0.00 N ATOM 755 CA ILE A 66 -6.429 -0.026 2.603 1.00 0.00 C ATOM 756 C ILE A 66 -6.638 -1.492 2.215 1.00 0.00 C ATOM 757 O ILE A 66 -7.732 -1.892 1.816 1.00 0.00 O ATOM 758 CB ILE A 66 -7.391 0.364 3.739 1.00 0.00 C ATOM 759 CG1 ILE A 66 -6.831 1.575 4.480 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.608 -0.795 4.701 1.00 0.00 C ATOM 761 CD1 ILE A 66 -7.629 1.958 5.700 1.00 0.00 C ATOM 0 H ILE A 66 -6.916 1.804 1.704 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.403 0.083 2.953 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.359 0.617 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.804 1.365 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.796 2.424 3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.292 -0.488 5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.034 -1.641 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.654 -1.087 5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.173 2.826 6.176 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -8.650 2.201 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.642 1.125 6.402 1.00 0.00 H new ATOM 773 N GLY A 67 -5.572 -2.277 2.321 1.00 0.00 N ATOM 774 CA GLY A 67 -5.639 -3.683 1.966 1.00 0.00 C ATOM 775 C GLY A 67 -4.761 -4.010 0.771 1.00 0.00 C ATOM 776 O GLY A 67 -4.607 -5.175 0.404 1.00 0.00 O ATOM 0 H GLY A 67 -4.658 -1.963 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.330 -4.287 2.819 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.671 -3.952 1.742 1.00 0.00 H new ATOM 780 N ASP A 68 -4.181 -2.975 0.168 1.00 0.00 N ATOM 781 CA ASP A 68 -3.308 -3.143 -0.985 1.00 0.00 C ATOM 782 C ASP A 68 -2.016 -3.836 -0.579 1.00 0.00 C ATOM 783 O ASP A 68 -1.421 -3.503 0.445 1.00 0.00 O ATOM 784 CB ASP A 68 -3.013 -1.785 -1.614 1.00 0.00 C ATOM 785 CG ASP A 68 -3.977 -1.447 -2.735 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.719 -2.349 -3.174 1.00 0.00 O ATOM 787 OD2 ASP A 68 -3.990 -0.276 -3.172 1.00 0.00 O ATOM 0 H ASP A 68 -4.303 -2.006 0.463 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.812 -3.769 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.067 -1.013 -0.847 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.994 -1.780 -2.001 1.00 0.00 H new ATOM 792 N GLN A 69 -1.583 -4.807 -1.378 1.00 0.00 N ATOM 793 CA GLN A 69 -0.361 -5.536 -1.075 1.00 0.00 C ATOM 794 C GLN A 69 0.835 -4.893 -1.763 1.00 0.00 C ATOM 795 O GLN A 69 1.266 -5.333 -2.826 1.00 0.00 O ATOM 796 CB GLN A 69 -0.492 -6.999 -1.500 1.00 0.00 C ATOM 797 CG GLN A 69 0.627 -7.885 -0.977 1.00 0.00 C ATOM 798 CD GLN A 69 1.695 -8.152 -2.018 1.00 0.00 C ATOM 799 OE1 GLN A 69 1.588 -9.092 -2.806 1.00 0.00 O ATOM 800 NE2 GLN A 69 2.733 -7.326 -2.025 1.00 0.00 N ATOM 0 H GLN A 69 -2.056 -5.103 -2.231 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.200 -5.498 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.447 -7.387 -1.147 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.509 -7.053 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.083 -7.412 -0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.207 -8.833 -0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.780 -6.560 -1.353 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.484 -7.457 -2.702 1.00 0.00 H new ATOM 809 N ILE A 70 1.362 -3.838 -1.150 1.00 0.00 N ATOM 810 CA ILE A 70 2.504 -3.124 -1.708 1.00 0.00 C ATOM 811 C ILE A 70 3.673 -4.072 -1.970 1.00 0.00 C ATOM 812 O ILE A 70 3.925 -4.991 -1.189 1.00 0.00 O ATOM 813 CB ILE A 70 2.965 -1.984 -0.777 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.750 -1.212 -0.239 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.925 -1.054 -1.512 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.080 0.169 0.293 1.00 0.00 C ATOM 0 H ILE A 70 1.017 -3.459 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 70 2.178 -2.693 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 70 3.496 -2.414 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.012 -1.116 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.286 -1.795 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.242 -0.255 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.797 -1.618 -1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.423 -0.624 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.169 0.647 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.793 0.082 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.515 0.772 -0.504 1.00 0.00 H new ATOM 828 N MET A 71 4.375 -3.854 -3.079 1.00 0.00 N ATOM 829 CA MET A 71 5.507 -4.700 -3.446 1.00 0.00 C ATOM 830 C MET A 71 6.831 -3.948 -3.340 1.00 0.00 C ATOM 831 O MET A 71 7.857 -4.537 -2.999 1.00 0.00 O ATOM 832 CB MET A 71 5.327 -5.234 -4.868 1.00 0.00 C ATOM 833 CG MET A 71 6.227 -6.417 -5.191 1.00 0.00 C ATOM 834 SD MET A 71 5.382 -7.700 -6.135 1.00 0.00 S ATOM 835 CE MET A 71 4.160 -8.246 -4.945 1.00 0.00 C ATOM 0 H MET A 71 4.180 -3.100 -3.738 1.00 0.00 H new ATOM 0 HA MET A 71 5.536 -5.533 -2.744 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.287 -5.530 -5.007 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.528 -4.431 -5.577 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.091 -6.067 -5.755 1.00 0.00 H new ATOM 0 HG3 MET A 71 6.605 -6.845 -4.262 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.522 -9.004 -5.400 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.663 -8.670 -4.076 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.550 -7.398 -4.634 1.00 0.00 H new ATOM 845 N SER A 72 6.811 -2.653 -3.641 1.00 0.00 N ATOM 846 CA SER A 72 8.026 -1.846 -3.578 1.00 0.00 C ATOM 847 C SER A 72 7.693 -0.368 -3.402 1.00 0.00 C ATOM 848 O SER A 72 6.612 0.078 -3.777 1.00 0.00 O ATOM 849 CB SER A 72 8.857 -2.041 -4.847 1.00 0.00 C ATOM 850 OG SER A 72 8.199 -1.496 -5.978 1.00 0.00 O ATOM 0 H SER A 72 5.976 -2.143 -3.928 1.00 0.00 H new ATOM 0 HA SER A 72 8.604 -2.175 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.830 -1.565 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.039 -3.104 -5.006 1.00 0.00 H new ATOM 0 HG SER A 72 8.752 -1.632 -6.775 1.00 0.00 H new ATOM 856 N ILE A 73 8.631 0.387 -2.833 1.00 0.00 N ATOM 857 CA ILE A 73 8.434 1.818 -2.612 1.00 0.00 C ATOM 858 C ILE A 73 9.577 2.635 -3.207 1.00 0.00 C ATOM 859 O ILE A 73 10.739 2.452 -2.846 1.00 0.00 O ATOM 860 CB ILE A 73 8.302 2.142 -1.116 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.179 1.309 -0.502 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.038 3.627 -0.915 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.541 0.711 0.834 1.00 0.00 C ATOM 0 H ILE A 73 9.534 0.032 -2.517 1.00 0.00 H new ATOM 0 HA ILE A 73 7.506 2.089 -3.115 1.00 0.00 H new ATOM 0 HB ILE A 73 9.238 1.892 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.295 1.935 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.913 0.507 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.947 3.839 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.865 4.203 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.113 3.904 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.699 0.132 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.407 0.059 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.779 1.509 1.537 1.00 0.00 H new ATOM 875 N ASN A 74 9.233 3.539 -4.121 1.00 0.00 N ATOM 876 CA ASN A 74 10.222 4.394 -4.774 1.00 0.00 C ATOM 877 C ASN A 74 11.423 3.583 -5.255 1.00 0.00 C ATOM 878 O ASN A 74 12.541 4.095 -5.330 1.00 0.00 O ATOM 879 CB ASN A 74 10.681 5.497 -3.816 1.00 0.00 C ATOM 880 CG ASN A 74 10.208 6.870 -4.248 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.222 7.201 -5.433 1.00 0.00 O ATOM 882 ND2 ASN A 74 9.786 7.680 -3.284 1.00 0.00 N ATOM 0 H ASN A 74 8.273 3.699 -4.427 1.00 0.00 H new ATOM 0 HA ASN A 74 9.751 4.849 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.306 5.285 -2.815 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.769 5.493 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.456 8.618 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.791 7.365 -2.314 1.00 0.00 H new ATOM 889 N GLY A 75 11.186 2.316 -5.577 1.00 0.00 N ATOM 890 CA GLY A 75 12.257 1.457 -6.045 1.00 0.00 C ATOM 891 C GLY A 75 12.809 0.563 -4.950 1.00 0.00 C ATOM 892 O GLY A 75 13.911 0.029 -5.077 1.00 0.00 O ATOM 0 H GLY A 75 10.271 1.869 -5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.890 0.838 -6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.062 2.072 -6.447 1.00 0.00 H new ATOM 896 N THR A 76 12.045 0.398 -3.874 1.00 0.00 N ATOM 897 CA THR A 76 12.468 -0.440 -2.759 1.00 0.00 C ATOM 898 C THR A 76 11.489 -1.587 -2.544 1.00 0.00 C ATOM 899 O THR A 76 10.468 -1.429 -1.875 1.00 0.00 O ATOM 900 CB THR A 76 12.582 0.394 -1.489 1.00 0.00 C ATOM 901 OG1 THR A 76 13.277 1.603 -1.741 1.00 0.00 O ATOM 902 CG2 THR A 76 13.299 -0.322 -0.364 1.00 0.00 C ATOM 0 H THR A 76 11.131 0.834 -3.752 1.00 0.00 H new ATOM 0 HA THR A 76 13.445 -0.860 -2.998 1.00 0.00 H new ATOM 0 HB THR A 76 11.555 0.587 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.679 2.237 -2.188 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.345 0.328 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.758 -1.234 -0.110 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.310 -0.576 -0.681 1.00 0.00 H new ATOM 910 N SER A 77 11.807 -2.742 -3.119 1.00 0.00 N ATOM 911 CA SER A 77 10.956 -3.919 -2.998 1.00 0.00 C ATOM 912 C SER A 77 10.856 -4.385 -1.549 1.00 0.00 C ATOM 913 O SER A 77 11.866 -4.534 -0.862 1.00 0.00 O ATOM 914 CB SER A 77 11.494 -5.054 -3.872 1.00 0.00 C ATOM 915 OG SER A 77 10.904 -5.028 -5.162 1.00 0.00 O ATOM 0 H SER A 77 12.650 -2.888 -3.675 1.00 0.00 H new ATOM 0 HA SER A 77 9.957 -3.644 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.577 -4.966 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.291 -6.013 -3.395 1.00 0.00 H new ATOM 0 HG SER A 77 11.265 -5.762 -5.702 1.00 0.00 H new ATOM 921 N LEU A 78 9.629 -4.622 -1.096 1.00 0.00 N ATOM 922 CA LEU A 78 9.387 -5.080 0.266 1.00 0.00 C ATOM 923 C LEU A 78 9.200 -6.591 0.303 1.00 0.00 C ATOM 924 O LEU A 78 8.592 -7.131 1.228 1.00 0.00 O ATOM 925 CB LEU A 78 8.153 -4.394 0.845 1.00 0.00 C ATOM 926 CG LEU A 78 8.206 -2.868 0.842 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.838 -2.287 0.518 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.706 -2.357 2.183 1.00 0.00 C ATOM 0 H LEU A 78 8.784 -4.504 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 78 10.257 -4.821 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.278 -4.714 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 78 8.012 -4.736 1.870 1.00 0.00 H new ATOM 0 HG LEU A 78 8.903 -2.544 0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.895 -1.199 0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.520 -2.632 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.117 -2.614 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.739 -1.268 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.032 -2.689 2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.706 -2.748 2.371 1.00 0.00 H new ATOM 940 N VAL A 79 9.721 -7.269 -0.712 1.00 0.00 N ATOM 941 CA VAL A 79 9.608 -8.717 -0.802 1.00 0.00 C ATOM 942 C VAL A 79 10.758 -9.404 -0.079 1.00 0.00 C ATOM 943 O VAL A 79 11.889 -9.423 -0.570 1.00 0.00 O ATOM 944 CB VAL A 79 9.596 -9.191 -2.267 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.098 -10.625 -2.359 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.749 -8.270 -3.135 1.00 0.00 C ATOM 0 H VAL A 79 10.227 -6.837 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 79 8.664 -8.987 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 79 10.619 -9.156 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.096 -10.943 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.755 -11.276 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.086 -10.685 -1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.759 -8.629 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.724 -8.261 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.157 -7.260 -3.099 1.00 0.00 H new ATOM 956 N GLY A 80 10.469 -9.973 1.085 1.00 0.00 N ATOM 957 CA GLY A 80 11.495 -10.657 1.845 1.00 0.00 C ATOM 958 C GLY A 80 11.887 -9.916 3.109 1.00 0.00 C ATOM 959 O GLY A 80 12.278 -10.535 4.098 1.00 0.00 O ATOM 0 H GLY A 80 9.544 -9.973 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.141 -11.653 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.377 -10.788 1.219 1.00 0.00 H new ATOM 963 N LEU A 81 11.786 -8.589 3.083 1.00 0.00 N ATOM 964 CA LEU A 81 12.143 -7.788 4.251 1.00 0.00 C ATOM 965 C LEU A 81 11.008 -7.776 5.272 1.00 0.00 C ATOM 966 O LEU A 81 9.832 -7.760 4.907 1.00 0.00 O ATOM 967 CB LEU A 81 12.513 -6.353 3.852 1.00 0.00 C ATOM 968 CG LEU A 81 11.701 -5.745 2.705 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.548 -4.246 2.909 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.372 -6.037 1.371 1.00 0.00 C ATOM 0 H LEU A 81 11.465 -8.052 2.278 1.00 0.00 H new ATOM 0 HA LEU A 81 13.018 -8.250 4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.403 -5.714 4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.567 -6.334 3.574 1.00 0.00 H new ATOM 0 HG LEU A 81 10.709 -6.197 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.969 -3.824 2.087 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.032 -4.058 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.533 -3.780 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.784 -5.599 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.373 -5.606 1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.440 -7.115 1.226 1.00 0.00 H new ATOM 982 N PRO A 82 11.348 -7.789 6.575 1.00 0.00 N ATOM 983 CA PRO A 82 10.353 -7.785 7.656 1.00 0.00 C ATOM 984 C PRO A 82 9.563 -6.484 7.722 1.00 0.00 C ATOM 985 O PRO A 82 9.899 -5.506 7.057 1.00 0.00 O ATOM 986 CB PRO A 82 11.195 -7.963 8.923 1.00 0.00 C ATOM 987 CG PRO A 82 12.552 -7.475 8.551 1.00 0.00 C ATOM 988 CD PRO A 82 12.727 -7.813 7.097 1.00 0.00 C ATOM 0 HA PRO A 82 9.603 -8.563 7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.783 -7.391 9.755 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.222 -9.007 9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.640 -6.401 8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.320 -7.954 9.159 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.362 -7.087 6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.191 -8.791 6.964 1.00 0.00 H new ATOM 996 N LEU A 83 8.510 -6.483 8.534 1.00 0.00 N ATOM 997 CA LEU A 83 7.665 -5.305 8.694 1.00 0.00 C ATOM 998 C LEU A 83 8.474 -4.107 9.180 1.00 0.00 C ATOM 999 O LEU A 83 8.223 -2.973 8.771 1.00 0.00 O ATOM 1000 CB LEU A 83 6.528 -5.598 9.677 1.00 0.00 C ATOM 1001 CG LEU A 83 5.699 -4.379 10.085 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.160 -3.663 8.856 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.563 -4.791 11.009 1.00 0.00 C ATOM 0 H LEU A 83 8.221 -7.287 9.092 1.00 0.00 H new ATOM 0 HA LEU A 83 7.244 -5.060 7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.864 -6.338 9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.951 -6.049 10.575 1.00 0.00 H new ATOM 0 HG LEU A 83 6.346 -3.688 10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.573 -2.799 9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.992 -3.332 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.529 -4.344 8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.984 -3.911 11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.916 -5.502 10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.974 -5.255 11.906 1.00 0.00 H new ATOM 1015 N SER A 84 9.442 -4.362 10.055 1.00 0.00 N ATOM 1016 CA SER A 84 10.281 -3.297 10.592 1.00 0.00 C ATOM 1017 C SER A 84 10.906 -2.482 9.465 1.00 0.00 C ATOM 1018 O SER A 84 10.858 -1.251 9.470 1.00 0.00 O ATOM 1019 CB SER A 84 11.377 -3.882 11.484 1.00 0.00 C ATOM 1020 OG SER A 84 10.826 -4.708 12.494 1.00 0.00 O ATOM 0 H SER A 84 9.664 -5.294 10.406 1.00 0.00 H new ATOM 0 HA SER A 84 9.652 -2.637 11.190 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.074 -4.460 10.877 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.947 -3.074 11.942 1.00 0.00 H new ATOM 0 HG SER A 84 11.547 -5.071 13.049 1.00 0.00 H new ATOM 1026 N THR A 85 11.486 -3.181 8.497 1.00 0.00 N ATOM 1027 CA THR A 85 12.115 -2.528 7.358 1.00 0.00 C ATOM 1028 C THR A 85 11.081 -1.777 6.526 1.00 0.00 C ATOM 1029 O THR A 85 11.313 -0.646 6.111 1.00 0.00 O ATOM 1030 CB THR A 85 12.839 -3.554 6.490 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.707 -4.352 7.274 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.661 -2.929 5.384 1.00 0.00 C ATOM 0 H THR A 85 11.533 -4.200 8.479 1.00 0.00 H new ATOM 0 HA THR A 85 12.842 -1.810 7.737 1.00 0.00 H new ATOM 0 HB THR A 85 12.051 -4.157 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.160 -5.004 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.149 -3.713 4.805 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.010 -2.348 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.417 -2.275 5.818 1.00 0.00 H new ATOM 1040 N CYS A 86 9.936 -2.414 6.294 1.00 0.00 N ATOM 1041 CA CYS A 86 8.864 -1.806 5.510 1.00 0.00 C ATOM 1042 C CYS A 86 8.443 -0.471 6.111 1.00 0.00 C ATOM 1043 O CYS A 86 8.460 0.554 5.431 1.00 0.00 O ATOM 1044 CB CYS A 86 7.665 -2.751 5.428 1.00 0.00 C ATOM 1045 SG CYS A 86 8.098 -4.461 5.029 1.00 0.00 S ATOM 0 H CYS A 86 9.727 -3.351 6.638 1.00 0.00 H new ATOM 0 HA CYS A 86 9.239 -1.625 4.503 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.137 -2.734 6.381 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.973 -2.377 4.674 1.00 0.00 H new ATOM 0 HG CYS A 86 8.819 -4.961 5.988 1.00 0.00 H new ATOM 1051 N GLN A 87 8.082 -0.478 7.390 1.00 0.00 N ATOM 1052 CA GLN A 87 7.681 0.737 8.069 1.00 0.00 C ATOM 1053 C GLN A 87 8.707 1.840 7.840 1.00 0.00 C ATOM 1054 O GLN A 87 8.373 2.939 7.397 1.00 0.00 O ATOM 1055 CB GLN A 87 7.545 0.457 9.562 1.00 0.00 C ATOM 1056 CG GLN A 87 6.135 0.634 10.069 1.00 0.00 C ATOM 1057 CD GLN A 87 5.311 -0.635 9.981 1.00 0.00 C ATOM 1058 OE1 GLN A 87 5.567 -1.606 10.691 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.314 -0.630 9.105 1.00 0.00 N ATOM 0 H GLN A 87 8.061 -1.315 7.973 1.00 0.00 H new ATOM 0 HA GLN A 87 6.723 1.069 7.669 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.873 -0.562 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.210 1.123 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.167 0.969 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.644 1.420 9.495 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.139 0.199 8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.723 -1.455 9.000 1.00 0.00 H new ATOM 1068 N SER A 88 9.955 1.524 8.146 1.00 0.00 N ATOM 1069 CA SER A 88 11.056 2.465 7.980 1.00 0.00 C ATOM 1070 C SER A 88 11.096 3.033 6.561 1.00 0.00 C ATOM 1071 O SER A 88 11.489 4.181 6.356 1.00 0.00 O ATOM 1072 CB SER A 88 12.386 1.786 8.306 1.00 0.00 C ATOM 1073 OG SER A 88 12.288 1.013 9.491 1.00 0.00 O ATOM 0 H SER A 88 10.234 0.615 8.514 1.00 0.00 H new ATOM 0 HA SER A 88 10.894 3.292 8.672 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.685 1.147 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.164 2.541 8.424 1.00 0.00 H new ATOM 0 HG SER A 88 11.992 0.106 9.266 1.00 0.00 H new ATOM 1079 N ILE A 89 10.684 2.227 5.582 1.00 0.00 N ATOM 1080 CA ILE A 89 10.670 2.657 4.194 1.00 0.00 C ATOM 1081 C ILE A 89 9.587 3.701 3.979 1.00 0.00 C ATOM 1082 O ILE A 89 9.769 4.650 3.224 1.00 0.00 O ATOM 1083 CB ILE A 89 10.442 1.463 3.242 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.626 0.497 3.334 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.245 1.942 1.810 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.610 -0.608 2.296 1.00 0.00 C ATOM 0 H ILE A 89 10.356 1.273 5.730 1.00 0.00 H new ATOM 0 HA ILE A 89 11.643 3.094 3.969 1.00 0.00 H new ATOM 0 HB ILE A 89 9.535 0.940 3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.551 1.064 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.637 0.047 4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.086 1.083 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.377 2.599 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.131 2.487 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.483 -1.247 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.704 -1.202 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.632 -0.170 1.298 1.00 0.00 H new ATOM 1098 N ILE A 90 8.462 3.523 4.660 1.00 0.00 N ATOM 1099 CA ILE A 90 7.353 4.459 4.557 1.00 0.00 C ATOM 1100 C ILE A 90 7.631 5.707 5.380 1.00 0.00 C ATOM 1101 O ILE A 90 7.255 6.817 5.001 1.00 0.00 O ATOM 1102 CB ILE A 90 6.040 3.825 5.035 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.855 2.454 4.376 1.00 0.00 C ATOM 1104 CG2 ILE A 90 4.870 4.750 4.733 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.442 1.917 4.453 1.00 0.00 C ATOM 0 H ILE A 90 8.295 2.738 5.290 1.00 0.00 H new ATOM 0 HA ILE A 90 7.251 4.727 3.505 1.00 0.00 H new ATOM 0 HB ILE A 90 6.079 3.680 6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.149 2.524 3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.530 1.741 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.944 4.289 5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.015 5.700 5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.812 4.924 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.395 0.944 3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.149 1.813 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.763 2.607 3.953 1.00 0.00 H new ATOM 1117 N LYS A 91 8.294 5.510 6.512 1.00 0.00 N ATOM 1118 CA LYS A 91 8.634 6.605 7.407 1.00 0.00 C ATOM 1119 C LYS A 91 9.770 7.446 6.834 1.00 0.00 C ATOM 1120 O LYS A 91 9.735 8.675 6.886 1.00 0.00 O ATOM 1121 CB LYS A 91 9.026 6.057 8.770 1.00 0.00 C ATOM 1122 CG LYS A 91 7.871 6.052 9.752 1.00 0.00 C ATOM 1123 CD LYS A 91 8.283 5.461 11.081 1.00 0.00 C ATOM 1124 CE LYS A 91 9.498 6.174 11.647 1.00 0.00 C ATOM 1125 NZ LYS A 91 9.693 5.881 13.094 1.00 0.00 N ATOM 0 H LYS A 91 8.608 4.594 6.833 1.00 0.00 H new ATOM 0 HA LYS A 91 7.758 7.245 7.515 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.403 5.041 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.841 6.655 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.512 7.071 9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.041 5.479 9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.455 5.533 11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.505 4.401 10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.387 5.872 11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.385 7.249 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.533 6.387 13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.856 6.193 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.826 4.858 13.226 1.00 0.00 H new ATOM 1139 N GLY A 92 10.774 6.769 6.285 1.00 0.00 N ATOM 1140 CA GLY A 92 11.908 7.463 5.703 1.00 0.00 C ATOM 1141 C GLY A 92 11.498 8.425 4.605 1.00 0.00 C ATOM 1142 O GLY A 92 12.240 9.347 4.269 1.00 0.00 O ATOM 0 H GLY A 92 10.822 5.751 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.434 8.011 6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.609 6.732 5.299 1.00 0.00 H new ATOM 1146 N LEU A 93 10.309 8.211 4.048 1.00 0.00 N ATOM 1147 CA LEU A 93 9.795 9.065 2.987 1.00 0.00 C ATOM 1148 C LEU A 93 9.034 10.252 3.569 1.00 0.00 C ATOM 1149 O LEU A 93 7.929 10.572 3.131 1.00 0.00 O ATOM 1150 CB LEU A 93 8.882 8.261 2.061 1.00 0.00 C ATOM 1151 CG LEU A 93 9.474 6.944 1.557 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.398 6.091 0.899 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.615 7.216 0.586 1.00 0.00 C ATOM 0 H LEU A 93 9.684 7.451 4.316 1.00 0.00 H new ATOM 0 HA LEU A 93 10.640 9.445 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.952 8.046 2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.625 8.880 1.201 1.00 0.00 H new ATOM 0 HG LEU A 93 9.871 6.392 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.838 5.158 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.614 5.871 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.970 6.632 0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.027 6.270 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.241 7.787 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.394 7.786 1.091 1.00 0.00 H new ATOM 1165 N LYS A 94 9.632 10.900 4.563 1.00 0.00 N ATOM 1166 CA LYS A 94 9.020 12.044 5.207 1.00 0.00 C ATOM 1167 C LYS A 94 9.204 13.300 4.370 1.00 0.00 C ATOM 1168 O LYS A 94 8.364 14.200 4.391 1.00 0.00 O ATOM 1169 CB LYS A 94 9.618 12.250 6.600 1.00 0.00 C ATOM 1170 CG LYS A 94 8.571 12.351 7.695 1.00 0.00 C ATOM 1171 CD LYS A 94 9.209 12.521 9.062 1.00 0.00 C ATOM 1172 CE LYS A 94 9.099 13.956 9.555 1.00 0.00 C ATOM 1173 NZ LYS A 94 9.048 14.030 11.042 1.00 0.00 N ATOM 0 H LYS A 94 10.546 10.646 4.938 1.00 0.00 H new ATOM 0 HA LYS A 94 7.952 11.849 5.304 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.290 11.422 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.221 13.158 6.598 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.912 13.195 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.951 11.454 7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.727 11.852 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.259 12.232 9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.951 14.531 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.203 14.416 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.973 15.024 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.221 13.503 11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.914 13.615 11.440 1.00 0.00 H new ATOM 1187 N ASN A 95 10.311 13.361 3.638 1.00 0.00 N ATOM 1188 CA ASN A 95 10.603 14.517 2.803 1.00 0.00 C ATOM 1189 C ASN A 95 11.093 14.100 1.419 1.00 0.00 C ATOM 1190 O ASN A 95 12.256 14.301 1.073 1.00 0.00 O ATOM 1191 CB ASN A 95 11.643 15.410 3.484 1.00 0.00 C ATOM 1192 CG ASN A 95 11.450 15.493 4.986 1.00 0.00 C ATOM 1193 OD1 ASN A 95 10.864 16.449 5.496 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.943 14.490 5.703 1.00 0.00 N ATOM 0 H ASN A 95 11.017 12.626 3.607 1.00 0.00 H new ATOM 0 HA ASN A 95 9.677 15.077 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.641 15.026 3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.589 16.412 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 95 11.843 14.492 6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.421 13.718 5.239 1.00 0.00 H new ATOM 1201 N GLN A 96 10.191 13.529 0.627 1.00 0.00 N ATOM 1202 CA GLN A 96 10.523 13.095 -0.728 1.00 0.00 C ATOM 1203 C GLN A 96 9.666 13.837 -1.747 1.00 0.00 C ATOM 1204 O GLN A 96 10.123 14.165 -2.841 1.00 0.00 O ATOM 1205 CB GLN A 96 10.312 11.587 -0.892 1.00 0.00 C ATOM 1206 CG GLN A 96 10.563 10.785 0.371 1.00 0.00 C ATOM 1207 CD GLN A 96 12.039 10.570 0.644 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.700 9.784 -0.035 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.565 11.272 1.642 1.00 0.00 N ATOM 0 H GLN A 96 9.223 13.355 0.899 1.00 0.00 H new ATOM 0 HA GLN A 96 11.575 13.323 -0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.290 11.408 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.973 11.222 -1.678 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.112 11.300 1.219 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.069 9.817 0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.980 11.912 2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.554 11.171 1.871 1.00 0.00 H new ATOM 1218 N SER A 97 8.414 14.092 -1.372 1.00 0.00 N ATOM 1219 CA SER A 97 7.470 14.790 -2.239 1.00 0.00 C ATOM 1220 C SER A 97 6.936 13.877 -3.344 1.00 0.00 C ATOM 1221 O SER A 97 6.147 14.308 -4.184 1.00 0.00 O ATOM 1222 CB SER A 97 8.118 16.038 -2.854 1.00 0.00 C ATOM 1223 OG SER A 97 8.716 15.744 -4.105 1.00 0.00 O ATOM 0 H SER A 97 8.029 13.823 -0.467 1.00 0.00 H new ATOM 0 HA SER A 97 6.627 15.097 -1.620 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.365 16.816 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.871 16.433 -2.172 1.00 0.00 H new ATOM 0 HG SER A 97 9.195 14.891 -4.046 1.00 0.00 H new ATOM 1229 N ARG A 98 7.362 12.613 -3.342 1.00 0.00 N ATOM 1230 CA ARG A 98 6.914 11.659 -4.351 1.00 0.00 C ATOM 1231 C ARG A 98 7.187 10.224 -3.903 1.00 0.00 C ATOM 1232 O ARG A 98 8.206 9.948 -3.270 1.00 0.00 O ATOM 1233 CB ARG A 98 7.607 11.934 -5.687 1.00 0.00 C ATOM 1234 CG ARG A 98 6.710 12.599 -6.719 1.00 0.00 C ATOM 1235 CD ARG A 98 7.453 13.673 -7.496 1.00 0.00 C ATOM 1236 NE ARG A 98 7.192 15.011 -6.970 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.537 16.134 -7.595 1.00 0.00 C ATOM 1238 NH1 ARG A 98 8.158 16.086 -8.768 1.00 0.00 N ATOM 1239 NH2 ARG A 98 7.259 17.309 -7.047 1.00 0.00 N ATOM 0 H ARG A 98 8.013 12.230 -2.656 1.00 0.00 H new ATOM 0 HA ARG A 98 5.838 11.780 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.475 12.569 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.977 10.993 -6.094 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.329 11.847 -7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.847 13.041 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.524 13.472 -7.459 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.157 13.632 -8.544 1.00 0.00 H new ATOM 0 HE ARG A 98 6.717 15.089 -6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.373 15.185 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.420 16.950 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.781 17.352 -6.147 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.523 18.170 -7.526 1.00 0.00 H new ATOM 1253 N VAL A 99 6.273 9.315 -4.234 1.00 0.00 N ATOM 1254 CA VAL A 99 6.424 7.912 -3.860 1.00 0.00 C ATOM 1255 C VAL A 99 6.038 6.980 -5.003 1.00 0.00 C ATOM 1256 O VAL A 99 4.857 6.759 -5.266 1.00 0.00 O ATOM 1257 CB VAL A 99 5.576 7.559 -2.622 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.031 6.234 -2.026 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.651 8.671 -1.585 1.00 0.00 C ATOM 0 H VAL A 99 5.423 9.524 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 99 7.479 7.772 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 99 4.537 7.456 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.422 6.000 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 99 5.920 5.444 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.077 6.309 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.046 8.402 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.687 8.810 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.274 9.598 -2.018 1.00 0.00 H new ATOM 1269 N LYS A 100 7.048 6.418 -5.663 1.00 0.00 N ATOM 1270 CA LYS A 100 6.822 5.488 -6.763 1.00 0.00 C ATOM 1271 C LYS A 100 6.814 4.063 -6.234 1.00 0.00 C ATOM 1272 O LYS A 100 7.775 3.315 -6.414 1.00 0.00 O ATOM 1273 CB LYS A 100 7.914 5.633 -7.826 1.00 0.00 C ATOM 1274 CG LYS A 100 8.244 7.075 -8.171 1.00 0.00 C ATOM 1275 CD LYS A 100 8.046 7.353 -9.654 1.00 0.00 C ATOM 1276 CE LYS A 100 6.641 6.991 -10.111 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.657 6.070 -11.282 1.00 0.00 N ATOM 0 H LYS A 100 8.031 6.592 -5.454 1.00 0.00 H new ATOM 0 HA LYS A 100 5.859 5.717 -7.219 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.819 5.137 -7.475 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.598 5.115 -8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.612 7.744 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.276 7.289 -7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.234 8.408 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.775 6.784 -10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.101 6.522 -9.288 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.099 7.900 -10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.680 5.848 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.150 6.527 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.152 5.192 -11.026 1.00 0.00 H new ATOM 1291 N LEU A 101 5.732 3.698 -5.566 1.00 0.00 N ATOM 1292 CA LEU A 101 5.609 2.368 -4.994 1.00 0.00 C ATOM 1293 C LEU A 101 4.675 1.494 -5.826 1.00 0.00 C ATOM 1294 O LEU A 101 3.499 1.809 -6.009 1.00 0.00 O ATOM 1295 CB LEU A 101 5.143 2.455 -3.536 1.00 0.00 C ATOM 1296 CG LEU A 101 3.734 2.987 -3.333 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.239 2.658 -1.932 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.684 4.491 -3.579 1.00 0.00 C ATOM 0 H LEU A 101 4.927 4.304 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 101 6.591 1.896 -5.008 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.205 1.461 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.837 3.093 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 101 3.077 2.502 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.229 3.046 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.233 1.577 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 101 3.900 3.115 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.666 4.851 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.354 4.996 -2.883 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.996 4.703 -4.602 1.00 0.00 H new ATOM 1310 N ASN A 102 5.221 0.395 -6.338 1.00 0.00 N ATOM 1311 CA ASN A 102 4.454 -0.532 -7.160 1.00 0.00 C ATOM 1312 C ASN A 102 3.782 -1.583 -6.289 1.00 0.00 C ATOM 1313 O ASN A 102 4.439 -2.476 -5.756 1.00 0.00 O ATOM 1314 CB ASN A 102 5.361 -1.207 -8.193 1.00 0.00 C ATOM 1315 CG ASN A 102 5.187 -0.624 -9.582 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.119 -0.056 -10.151 1.00 0.00 O ATOM 1317 ND2 ASN A 102 3.988 -0.762 -10.135 1.00 0.00 N ATOM 0 H ASN A 102 6.194 0.125 -6.197 1.00 0.00 H new ATOM 0 HA ASN A 102 3.684 0.032 -7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.401 -1.100 -7.885 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.145 -2.275 -8.220 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.811 -0.390 -11.068 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.244 -1.240 -9.627 1.00 0.00 H new ATOM 1324 N ILE A 103 2.469 -1.466 -6.144 1.00 0.00 N ATOM 1325 CA ILE A 103 1.709 -2.398 -5.329 1.00 0.00 C ATOM 1326 C ILE A 103 0.954 -3.404 -6.191 1.00 0.00 C ATOM 1327 O ILE A 103 0.932 -3.290 -7.418 1.00 0.00 O ATOM 1328 CB ILE A 103 0.715 -1.655 -4.421 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.382 -0.984 -5.240 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.438 -0.616 -3.587 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.694 -0.923 -4.508 1.00 0.00 C ATOM 0 H ILE A 103 1.910 -0.734 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 103 2.425 -2.937 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 103 0.253 -2.389 -3.761 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.069 0.027 -5.501 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.517 -1.528 -6.175 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.721 -0.098 -2.949 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.188 -1.106 -2.966 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.925 0.104 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.439 -0.436 -5.137 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.025 -1.934 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.570 -0.355 -3.586 1.00 0.00 H new ATOM 1343 N VAL A 104 0.332 -4.383 -5.545 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.428 -5.399 -6.259 1.00 0.00 C ATOM 1345 C VAL A 104 -1.832 -5.545 -5.686 1.00 0.00 C ATOM 1346 O VAL A 104 -2.033 -5.514 -4.466 1.00 0.00 O ATOM 1347 CB VAL A 104 0.267 -6.778 -6.236 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.119 -6.966 -7.481 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.103 -6.952 -4.981 1.00 0.00 C ATOM 0 H VAL A 104 0.339 -4.494 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.487 -5.058 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.508 -7.545 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.601 -7.943 -7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.487 -6.903 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.880 -6.187 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.579 -7.932 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.869 -6.177 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.462 -6.872 -4.103 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.795 -5.711 -6.586 1.00 0.00 N ATOM 1360 CA ARG A 105 -4.191 -5.875 -6.204 1.00 0.00 C ATOM 1361 C ARG A 105 -4.740 -7.174 -6.783 1.00 0.00 C ATOM 1362 O ARG A 105 -4.280 -7.642 -7.822 1.00 0.00 O ATOM 1363 CB ARG A 105 -5.019 -4.686 -6.700 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.868 -4.039 -5.616 1.00 0.00 C ATOM 1365 CD ARG A 105 -7.087 -3.343 -6.203 1.00 0.00 C ATOM 1366 NE ARG A 105 -8.313 -3.697 -5.493 1.00 0.00 N ATOM 1367 CZ ARG A 105 -9.536 -3.474 -5.970 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -9.699 -2.899 -7.155 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -10.598 -3.828 -5.259 1.00 0.00 N ATOM 0 H ARG A 105 -2.631 -5.735 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 105 -4.256 -5.917 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.348 -3.937 -7.119 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.670 -5.019 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.189 -4.798 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.266 -3.317 -5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.943 -2.263 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -7.187 -3.612 -7.255 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.228 -4.141 -4.579 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -8.885 -2.625 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.638 -2.731 -7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.477 -4.270 -4.348 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -11.535 -3.658 -5.623 1.00 0.00 H new TER 1383 ARG A 105