USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 958 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 118 HIS : no HD1:sc= -5.39! C(o=-3.9!,f=-15!) USER MOD Set 1.2: A 119 CYS SG : rot 55:sc= 1.14 USER MOD Set 1.3: A 127 ASN : amide:sc= 0.374 K(o=-3.9,f=-7.5!) USER MOD Set 2.1: A 62 ASN : amide:sc= -2.54 K(o=-5.8,f=-6.9) USER MOD Set 2.2: A 74 MET CE :methyl -168:sc= -3.3 (180deg=-2.61) USER MOD Set 2.3: A 76 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 64 ASN : amide:sc= -7.25! K(o=-11!,f=-4.4) USER MOD Set 3.2: A 72 MET CE :methyl 151:sc= -3.81! (180deg=-0.432) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 13 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.62) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -133:sc= -0.158 (180deg=-0.999) USER MOD Single : A 28 ASN : amide:sc= -0.0083 X(o=-0.0083,f=-0.04) USER MOD Single : A 33 ASN : amide:sc= -0.0579 X(o=-0.058,f=0) USER MOD Single : A 35 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.75) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0543) USER MOD Single : A 44 CYS SG : rot 73:sc= 1.06 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -168:sc= -1.11 (180deg=-1.6) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -127:sc= -0.95 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 165:sc= -0.263 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -174:sc= 1.94 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00965 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0335 K(o=-0.033,f=-2.5!) USER MOD Single : A 104 GLN : amide:sc= -2.26! K(o=-2.3!,f=-1.7) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.31) USER MOD Single : A 108 ASN : amide:sc= -1.78! C(o=-1.8!,f=-15!) USER MOD Single : A 109 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -2.08 K(o=-2.1,f=-1.2) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= -1.02! K(o=-1!,f=-0.26) USER MOD Single : A 124 CYS SG : rot 42:sc= -3.04 USER MOD Single : A 129 THR OG1 : rot -7:sc= -0.0203 USER MOD Single : A 135 HIS : no HD1:sc= -8.37! C(o=-8.4!,f=-7.5!) USER MOD Single : A 137 SER OG : rot -69:sc= 0.149 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.711 22.679 5.685 1.00 0.00 N ATOM 67 CA GLU A 8 -2.396 21.424 6.356 1.00 0.00 C ATOM 68 C GLU A 8 -2.563 20.242 5.405 1.00 0.00 C ATOM 69 O GLU A 8 -1.780 19.292 5.437 1.00 0.00 O ATOM 70 CB GLU A 8 -3.293 21.236 7.582 1.00 0.00 C ATOM 71 CG GLU A 8 -4.764 21.073 7.240 1.00 0.00 C ATOM 72 CD GLU A 8 -5.154 19.625 7.017 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.488 18.736 7.587 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.126 19.381 6.271 1.00 0.00 O ATOM 0 HA GLU A 8 -1.356 21.465 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.958 20.359 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.175 22.095 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.369 21.488 8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.990 21.649 6.343 1.00 0.00 H new ATOM 81 N GLN A 9 -3.588 20.309 4.561 1.00 0.00 N ATOM 82 CA GLN A 9 -3.857 19.244 3.602 1.00 0.00 C ATOM 83 C GLN A 9 -2.565 18.741 2.969 1.00 0.00 C ATOM 84 O GLN A 9 -2.291 17.542 2.960 1.00 0.00 O ATOM 85 CB GLN A 9 -4.814 19.738 2.516 1.00 0.00 C ATOM 86 CG GLN A 9 -5.671 18.637 1.913 1.00 0.00 C ATOM 87 CD GLN A 9 -6.765 19.175 1.012 1.00 0.00 C ATOM 88 OE1 GLN A 9 -6.570 20.162 0.302 1.00 0.00 O ATOM 89 NE2 GLN A 9 -7.924 18.528 1.037 1.00 0.00 N ATOM 0 H GLN A 9 -4.245 21.088 4.522 1.00 0.00 H new ATOM 0 HA GLN A 9 -4.322 18.416 4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -5.465 20.504 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -4.236 20.213 1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -5.036 17.959 1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.121 18.052 2.715 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.041 17.714 1.641 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.697 18.845 0.452 1.00 0.00 H new ATOM 98 N ALA A 10 -1.773 19.668 2.438 1.00 0.00 N ATOM 99 CA ALA A 10 -0.508 19.319 1.803 1.00 0.00 C ATOM 100 C ALA A 10 0.387 18.533 2.757 1.00 0.00 C ATOM 101 O ALA A 10 0.886 17.463 2.412 1.00 0.00 O ATOM 102 CB ALA A 10 0.205 20.574 1.322 1.00 0.00 C ATOM 0 H ALA A 10 -1.985 20.666 2.435 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.724 18.685 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.148 20.298 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.423 21.095 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.402 21.229 2.171 1.00 0.00 H new ATOM 108 N GLU A 11 0.584 19.073 3.955 1.00 0.00 N ATOM 109 CA GLU A 11 1.420 18.422 4.957 1.00 0.00 C ATOM 110 C GLU A 11 0.888 17.030 5.289 1.00 0.00 C ATOM 111 O GLU A 11 1.654 16.122 5.609 1.00 0.00 O ATOM 112 CB GLU A 11 1.487 19.271 6.228 1.00 0.00 C ATOM 113 CG GLU A 11 2.082 20.651 6.008 1.00 0.00 C ATOM 114 CD GLU A 11 2.349 21.386 7.307 1.00 0.00 C ATOM 115 OE1 GLU A 11 2.953 20.781 8.218 1.00 0.00 O ATOM 116 OE2 GLU A 11 1.953 22.565 7.413 1.00 0.00 O ATOM 0 H GLU A 11 0.177 19.959 4.255 1.00 0.00 H new ATOM 0 HA GLU A 11 2.424 18.320 4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.482 19.379 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.080 18.744 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.014 20.556 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.402 21.242 5.394 1.00 0.00 H new ATOM 123 N ALA A 12 -0.429 16.873 5.209 1.00 0.00 N ATOM 124 CA ALA A 12 -1.064 15.593 5.499 1.00 0.00 C ATOM 125 C ALA A 12 -0.408 14.464 4.712 1.00 0.00 C ATOM 126 O ALA A 12 -0.070 13.421 5.271 1.00 0.00 O ATOM 127 CB ALA A 12 -2.552 15.660 5.190 1.00 0.00 C ATOM 0 H ALA A 12 -1.077 17.616 4.946 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.934 15.383 6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.013 14.697 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.016 16.434 5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.694 15.897 4.136 1.00 0.00 H new ATOM 133 N GLN A 13 -0.233 14.679 3.412 1.00 0.00 N ATOM 134 CA GLN A 13 0.382 13.678 2.548 1.00 0.00 C ATOM 135 C GLN A 13 1.833 13.433 2.946 1.00 0.00 C ATOM 136 O GLN A 13 2.203 12.324 3.336 1.00 0.00 O ATOM 137 CB GLN A 13 0.309 14.121 1.086 1.00 0.00 C ATOM 138 CG GLN A 13 -0.970 13.693 0.384 1.00 0.00 C ATOM 139 CD GLN A 13 -1.348 14.619 -0.756 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.277 15.842 -0.627 1.00 0.00 O ATOM 141 NE2 GLN A 13 -1.753 14.040 -1.880 1.00 0.00 N ATOM 0 H GLN A 13 -0.508 15.537 2.934 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.170 12.745 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.393 15.207 1.039 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.164 13.711 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.847 12.681 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.785 13.663 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.796 13.023 -1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.021 14.612 -2.681 1.00 0.00 H new ATOM 150 N LEU A 14 2.653 14.473 2.844 1.00 0.00 N ATOM 151 CA LEU A 14 4.066 14.371 3.193 1.00 0.00 C ATOM 152 C LEU A 14 4.247 13.650 4.525 1.00 0.00 C ATOM 153 O LEU A 14 5.158 12.837 4.683 1.00 0.00 O ATOM 154 CB LEU A 14 4.695 15.764 3.265 1.00 0.00 C ATOM 155 CG LEU A 14 6.086 15.840 3.896 1.00 0.00 C ATOM 156 CD1 LEU A 14 7.119 15.187 2.990 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.464 17.285 4.183 1.00 0.00 C ATOM 0 H LEU A 14 2.364 15.397 2.522 1.00 0.00 H new ATOM 0 HA LEU A 14 4.566 13.792 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.754 16.167 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.026 16.414 3.829 1.00 0.00 H new ATOM 0 HG LEU A 14 6.065 15.297 4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.103 15.250 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.858 14.140 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.138 15.702 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.457 17.319 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.467 17.852 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.740 17.721 4.871 1.00 0.00 H new ATOM 169 N ALA A 15 3.372 13.950 5.479 1.00 0.00 N ATOM 170 CA ALA A 15 3.433 13.327 6.795 1.00 0.00 C ATOM 171 C ALA A 15 3.565 11.812 6.680 1.00 0.00 C ATOM 172 O ALA A 15 4.586 11.239 7.058 1.00 0.00 O ATOM 173 CB ALA A 15 2.200 13.691 7.609 1.00 0.00 C ATOM 0 H ALA A 15 2.612 14.621 5.365 1.00 0.00 H new ATOM 0 HA ALA A 15 4.318 13.705 7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.259 13.219 8.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.150 14.773 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.306 13.342 7.091 1.00 0.00 H new ATOM 179 N GLU A 16 2.526 11.170 6.155 1.00 0.00 N ATOM 180 CA GLU A 16 2.527 9.721 5.992 1.00 0.00 C ATOM 181 C GLU A 16 3.746 9.264 5.197 1.00 0.00 C ATOM 182 O GLU A 16 4.348 8.233 5.499 1.00 0.00 O ATOM 183 CB GLU A 16 1.246 9.264 5.292 1.00 0.00 C ATOM 184 CG GLU A 16 1.344 9.276 3.776 1.00 0.00 C ATOM 185 CD GLU A 16 -0.015 9.302 3.103 1.00 0.00 C ATOM 186 OE1 GLU A 16 -0.720 8.272 3.153 1.00 0.00 O ATOM 187 OE2 GLU A 16 -0.373 10.351 2.528 1.00 0.00 O ATOM 0 H GLU A 16 1.674 11.630 5.836 1.00 0.00 H new ATOM 0 HA GLU A 16 2.572 9.269 6.983 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.001 8.255 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.424 9.910 5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.918 10.147 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.893 8.395 3.444 1.00 0.00 H new ATOM 194 N LEU A 17 4.104 10.038 4.178 1.00 0.00 N ATOM 195 CA LEU A 17 5.251 9.714 3.337 1.00 0.00 C ATOM 196 C LEU A 17 6.514 9.553 4.177 1.00 0.00 C ATOM 197 O LEU A 17 7.323 8.656 3.935 1.00 0.00 O ATOM 198 CB LEU A 17 5.461 10.803 2.284 1.00 0.00 C ATOM 199 CG LEU A 17 4.541 10.743 1.064 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.550 12.072 0.324 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.959 9.611 0.137 1.00 0.00 C ATOM 0 H LEU A 17 3.616 10.894 3.914 1.00 0.00 H new ATOM 0 HA LEU A 17 5.047 8.768 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.333 11.774 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.493 10.752 1.938 1.00 0.00 H new ATOM 0 HG LEU A 17 3.525 10.548 1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.890 12.011 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.203 12.862 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.564 12.297 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.294 9.583 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.983 9.775 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.901 8.663 0.671 1.00 0.00 H new ATOM 213 N ASP A 18 6.676 10.425 5.166 1.00 0.00 N ATOM 214 CA ASP A 18 7.839 10.378 6.045 1.00 0.00 C ATOM 215 C ASP A 18 7.777 9.161 6.963 1.00 0.00 C ATOM 216 O ASP A 18 8.784 8.490 7.190 1.00 0.00 O ATOM 217 CB ASP A 18 7.927 11.657 6.878 1.00 0.00 C ATOM 218 CG ASP A 18 9.267 11.805 7.571 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.197 12.362 6.952 1.00 0.00 O ATOM 220 OD2 ASP A 18 9.385 11.365 8.734 1.00 0.00 O ATOM 0 H ASP A 18 6.016 11.173 5.379 1.00 0.00 H new ATOM 0 HA ASP A 18 8.731 10.297 5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 18 7.757 12.519 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.133 11.656 7.625 1.00 0.00 H new ATOM 225 N LEU A 19 6.589 8.882 7.488 1.00 0.00 N ATOM 226 CA LEU A 19 6.396 7.747 8.383 1.00 0.00 C ATOM 227 C LEU A 19 6.688 6.433 7.666 1.00 0.00 C ATOM 228 O LEU A 19 7.549 5.660 8.091 1.00 0.00 O ATOM 229 CB LEU A 19 4.965 7.737 8.926 1.00 0.00 C ATOM 230 CG LEU A 19 4.767 7.061 10.283 1.00 0.00 C ATOM 231 CD1 LEU A 19 3.566 7.655 11.004 1.00 0.00 C ATOM 232 CD2 LEU A 19 4.598 5.559 10.111 1.00 0.00 C ATOM 0 H LEU A 19 5.745 9.426 7.309 1.00 0.00 H new ATOM 0 HA LEU A 19 7.093 7.849 9.215 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.619 8.768 9.002 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.325 7.239 8.198 1.00 0.00 H new ATOM 0 HG LEU A 19 5.655 7.239 10.890 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.440 7.162 11.968 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.726 8.722 11.160 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.670 7.507 10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.458 5.094 11.087 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.727 5.360 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.487 5.145 9.636 1.00 0.00 H new ATOM 244 N LEU A 20 5.970 6.186 6.577 1.00 0.00 N ATOM 245 CA LEU A 20 6.153 4.966 5.798 1.00 0.00 C ATOM 246 C LEU A 20 7.635 4.666 5.599 1.00 0.00 C ATOM 247 O LEU A 20 8.117 3.595 5.968 1.00 0.00 O ATOM 248 CB LEU A 20 5.460 5.095 4.441 1.00 0.00 C ATOM 249 CG LEU A 20 3.957 5.374 4.478 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.525 6.138 3.236 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.176 4.074 4.605 1.00 0.00 C ATOM 0 H LEU A 20 5.254 6.815 6.212 1.00 0.00 H new ATOM 0 HA LEU A 20 5.704 4.140 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.944 5.896 3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.624 4.173 3.883 1.00 0.00 H new ATOM 0 HG LEU A 20 3.743 5.990 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.452 6.327 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.059 7.087 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.753 5.548 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.108 4.292 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.396 3.433 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.464 3.565 5.525 1.00 0.00 H new ATOM 263 N ALA A 21 8.354 5.619 5.015 1.00 0.00 N ATOM 264 CA ALA A 21 9.782 5.458 4.771 1.00 0.00 C ATOM 265 C ALA A 21 10.475 4.816 5.968 1.00 0.00 C ATOM 266 O ALA A 21 11.320 3.935 5.809 1.00 0.00 O ATOM 267 CB ALA A 21 10.417 6.803 4.450 1.00 0.00 C ATOM 0 H ALA A 21 7.971 6.511 4.702 1.00 0.00 H new ATOM 0 HA ALA A 21 9.907 4.796 3.914 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.484 6.668 4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.949 7.223 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.274 7.483 5.290 1.00 0.00 H new ATOM 273 N SER A 22 10.111 5.262 7.166 1.00 0.00 N ATOM 274 CA SER A 22 10.702 4.734 8.390 1.00 0.00 C ATOM 275 C SER A 22 10.110 3.370 8.734 1.00 0.00 C ATOM 276 O SER A 22 10.829 2.450 9.122 1.00 0.00 O ATOM 277 CB SER A 22 10.479 5.707 9.550 1.00 0.00 C ATOM 278 OG SER A 22 11.468 6.721 9.562 1.00 0.00 O ATOM 0 H SER A 22 9.410 5.988 7.315 1.00 0.00 H new ATOM 0 HA SER A 22 11.773 4.615 8.226 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.491 6.159 9.465 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.500 5.163 10.494 1.00 0.00 H new ATOM 0 HG SER A 22 11.302 7.331 10.311 1.00 0.00 H new ATOM 284 N MET A 23 8.795 3.249 8.588 1.00 0.00 N ATOM 285 CA MET A 23 8.106 1.998 8.882 1.00 0.00 C ATOM 286 C MET A 23 8.735 0.838 8.117 1.00 0.00 C ATOM 287 O MET A 23 8.742 -0.299 8.589 1.00 0.00 O ATOM 288 CB MET A 23 6.622 2.113 8.527 1.00 0.00 C ATOM 289 CG MET A 23 5.835 2.995 9.483 1.00 0.00 C ATOM 290 SD MET A 23 5.683 2.273 11.128 1.00 0.00 S ATOM 291 CE MET A 23 4.685 0.829 10.773 1.00 0.00 C ATOM 0 H MET A 23 8.185 4.002 8.268 1.00 0.00 H new ATOM 0 HA MET A 23 8.203 1.801 9.950 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.528 2.512 7.517 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.181 1.116 8.518 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.323 3.966 9.560 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.840 3.170 9.074 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.873 0.761 11.497 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.269 0.912 9.769 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.304 -0.066 10.836 1.00 0.00 H new ATOM 301 N PHE A 24 9.262 1.133 6.933 1.00 0.00 N ATOM 302 CA PHE A 24 9.893 0.114 6.102 1.00 0.00 C ATOM 303 C PHE A 24 11.382 0.399 5.927 1.00 0.00 C ATOM 304 O PHE A 24 11.829 0.879 4.886 1.00 0.00 O ATOM 305 CB PHE A 24 9.211 0.047 4.734 1.00 0.00 C ATOM 306 CG PHE A 24 7.744 -0.266 4.811 1.00 0.00 C ATOM 307 CD1 PHE A 24 6.823 0.731 5.088 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.286 -1.557 4.605 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.473 0.446 5.160 1.00 0.00 C ATOM 310 CE2 PHE A 24 5.936 -1.849 4.675 1.00 0.00 C ATOM 311 CZ PHE A 24 5.028 -0.845 4.952 1.00 0.00 C ATOM 0 H PHE A 24 9.265 2.069 6.528 1.00 0.00 H new ATOM 0 HA PHE A 24 9.782 -0.847 6.603 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.345 1.000 4.223 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.705 -0.712 4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.164 1.743 5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.992 -2.345 4.387 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.766 1.232 5.379 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.592 -2.860 4.513 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.973 -1.069 5.006 1.00 0.00 H new ATOM 357 N ASN A 28 14.819 -3.668 0.601 1.00 0.00 N ATOM 358 CA ASN A 28 13.927 -4.089 -0.474 1.00 0.00 C ATOM 359 C ASN A 28 12.503 -4.271 0.042 1.00 0.00 C ATOM 360 O ASN A 28 11.840 -5.258 -0.274 1.00 0.00 O ATOM 361 CB ASN A 28 14.426 -5.393 -1.098 1.00 0.00 C ATOM 362 CG ASN A 28 14.662 -6.476 -0.062 1.00 0.00 C ATOM 363 OD1 ASN A 28 15.757 -6.596 0.489 1.00 0.00 O ATOM 364 ND2 ASN A 28 13.633 -7.272 0.206 1.00 0.00 N ATOM 0 HA ASN A 28 13.922 -3.309 -1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.698 -5.745 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 28 15.353 -5.203 -1.639 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.732 -8.020 0.893 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.744 -7.136 -0.275 1.00 0.00 H new ATOM 371 N GLU A 29 12.039 -3.311 0.837 1.00 0.00 N ATOM 372 CA GLU A 29 10.694 -3.366 1.396 1.00 0.00 C ATOM 373 C GLU A 29 9.765 -2.392 0.676 1.00 0.00 C ATOM 374 O GLU A 29 8.643 -2.743 0.309 1.00 0.00 O ATOM 375 CB GLU A 29 10.726 -3.047 2.892 1.00 0.00 C ATOM 376 CG GLU A 29 10.971 -4.263 3.769 1.00 0.00 C ATOM 377 CD GLU A 29 11.119 -3.905 5.235 1.00 0.00 C ATOM 378 OE1 GLU A 29 10.412 -2.983 5.694 1.00 0.00 O ATOM 379 OE2 GLU A 29 11.941 -4.545 5.923 1.00 0.00 O ATOM 0 H GLU A 29 12.575 -2.487 1.108 1.00 0.00 H new ATOM 0 HA GLU A 29 10.311 -4.377 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.507 -2.310 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.779 -2.589 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.144 -4.963 3.652 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.872 -4.774 3.431 1.00 0.00 H new ATOM 386 N LEU A 30 10.241 -1.168 0.478 1.00 0.00 N ATOM 387 CA LEU A 30 9.454 -0.141 -0.197 1.00 0.00 C ATOM 388 C LEU A 30 10.306 0.621 -1.207 1.00 0.00 C ATOM 389 O LEU A 30 11.398 1.091 -0.883 1.00 0.00 O ATOM 390 CB LEU A 30 8.862 0.830 0.825 1.00 0.00 C ATOM 391 CG LEU A 30 8.512 2.224 0.302 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.337 2.804 1.074 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.720 3.146 0.393 1.00 0.00 C ATOM 0 H LEU A 30 11.168 -0.862 0.775 1.00 0.00 H new ATOM 0 HA LEU A 30 8.642 -0.633 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.959 0.383 1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.571 0.939 1.646 1.00 0.00 H new ATOM 0 HG LEU A 30 8.224 2.137 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.102 3.796 0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.469 2.155 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.596 2.878 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.453 4.134 0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.038 3.227 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.535 2.738 -0.205 1.00 0.00 H new ATOM 405 N ILE A 31 9.799 0.743 -2.429 1.00 0.00 N ATOM 406 CA ILE A 31 10.512 1.452 -3.484 1.00 0.00 C ATOM 407 C ILE A 31 9.628 2.515 -4.127 1.00 0.00 C ATOM 408 O ILE A 31 8.462 2.267 -4.432 1.00 0.00 O ATOM 409 CB ILE A 31 11.009 0.486 -4.575 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.977 -0.538 -3.978 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.677 1.258 -5.703 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.285 -1.681 -3.268 1.00 0.00 C ATOM 0 H ILE A 31 8.897 0.360 -2.713 1.00 0.00 H new ATOM 0 HA ILE A 31 11.371 1.932 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 31 10.151 -0.048 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.603 -0.941 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.640 -0.033 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.023 0.561 -6.466 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.961 1.952 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.527 1.815 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.032 -2.368 -2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.681 -1.289 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.643 -2.211 -3.972 1.00 0.00 H new ATOM 424 N VAL A 32 10.192 3.702 -4.331 1.00 0.00 N ATOM 425 CA VAL A 32 9.456 4.803 -4.940 1.00 0.00 C ATOM 426 C VAL A 32 9.999 5.126 -6.328 1.00 0.00 C ATOM 427 O VAL A 32 11.137 5.568 -6.473 1.00 0.00 O ATOM 428 CB VAL A 32 9.520 6.071 -4.068 1.00 0.00 C ATOM 429 CG1 VAL A 32 10.900 6.224 -3.448 1.00 0.00 C ATOM 430 CG2 VAL A 32 9.157 7.300 -4.889 1.00 0.00 C ATOM 0 H VAL A 32 11.156 3.925 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 32 8.418 4.481 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 32 8.794 5.973 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.926 7.125 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.118 5.356 -2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.647 6.301 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.207 8.187 -4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.858 7.404 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.146 7.190 -5.281 1.00 0.00 H new ATOM 440 N ASN A 33 9.175 4.900 -7.346 1.00 0.00 N ATOM 441 CA ASN A 33 9.572 5.167 -8.724 1.00 0.00 C ATOM 442 C ASN A 33 9.558 6.665 -9.014 1.00 0.00 C ATOM 443 O ASN A 33 10.515 7.209 -9.565 1.00 0.00 O ATOM 444 CB ASN A 33 8.641 4.439 -9.695 1.00 0.00 C ATOM 445 CG ASN A 33 8.918 2.949 -9.755 1.00 0.00 C ATOM 446 OD1 ASN A 33 9.948 2.518 -10.272 1.00 0.00 O ATOM 447 ND2 ASN A 33 7.995 2.154 -9.225 1.00 0.00 N ATOM 0 H ASN A 33 8.229 4.533 -7.243 1.00 0.00 H new ATOM 0 HA ASN A 33 10.589 4.798 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.606 4.601 -9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.753 4.867 -10.691 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.126 1.142 -9.236 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.156 2.555 -8.807 1.00 0.00 H new ATOM 454 N ASP A 34 8.468 7.324 -8.639 1.00 0.00 N ATOM 455 CA ASP A 34 8.329 8.759 -8.857 1.00 0.00 C ATOM 456 C ASP A 34 8.793 9.542 -7.633 1.00 0.00 C ATOM 457 O ASP A 34 8.042 9.713 -6.673 1.00 0.00 O ATOM 458 CB ASP A 34 6.876 9.109 -9.181 1.00 0.00 C ATOM 459 CG ASP A 34 6.568 8.989 -10.661 1.00 0.00 C ATOM 460 OD1 ASP A 34 7.116 8.073 -11.309 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.778 9.812 -11.170 1.00 0.00 O ATOM 0 H ASP A 34 7.667 6.887 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 34 8.958 9.036 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.213 8.450 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.668 10.127 -8.851 1.00 0.00 H new ATOM 466 N GLN A 35 10.035 10.014 -7.674 1.00 0.00 N ATOM 467 CA GLN A 35 10.599 10.777 -6.567 1.00 0.00 C ATOM 468 C GLN A 35 10.276 12.261 -6.708 1.00 0.00 C ATOM 469 O GLN A 35 9.868 12.912 -5.746 1.00 0.00 O ATOM 470 CB GLN A 35 12.114 10.577 -6.502 1.00 0.00 C ATOM 471 CG GLN A 35 12.743 11.108 -5.224 1.00 0.00 C ATOM 472 CD GLN A 35 11.840 10.944 -4.017 1.00 0.00 C ATOM 473 OE1 GLN A 35 11.554 11.908 -3.307 1.00 0.00 O ATOM 474 NE2 GLN A 35 11.386 9.720 -3.779 1.00 0.00 N ATOM 0 H GLN A 35 10.669 9.881 -8.462 1.00 0.00 H new ATOM 0 HA GLN A 35 10.151 10.413 -5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.336 9.514 -6.592 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.575 11.072 -7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.683 10.587 -5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.983 12.163 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.649 8.950 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.774 9.549 -2.981 1.00 0.00 H new ATOM 483 N LEU A 36 10.460 12.790 -7.913 1.00 0.00 N ATOM 484 CA LEU A 36 10.189 14.198 -8.180 1.00 0.00 C ATOM 485 C LEU A 36 8.860 14.622 -7.564 1.00 0.00 C ATOM 486 O LEU A 36 8.795 15.596 -6.814 1.00 0.00 O ATOM 487 CB LEU A 36 10.171 14.457 -9.688 1.00 0.00 C ATOM 488 CG LEU A 36 9.621 15.814 -10.129 1.00 0.00 C ATOM 489 CD1 LEU A 36 10.690 16.888 -10.005 1.00 0.00 C ATOM 490 CD2 LEU A 36 9.100 15.739 -11.557 1.00 0.00 C ATOM 0 H LEU A 36 10.796 12.265 -8.720 1.00 0.00 H new ATOM 0 HA LEU A 36 10.984 14.789 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.189 14.360 -10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.579 13.675 -10.164 1.00 0.00 H new ATOM 0 HG LEU A 36 8.791 16.079 -9.474 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.281 17.847 -10.323 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.016 16.959 -8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.541 16.629 -10.636 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.712 16.713 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.911 15.452 -12.226 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.303 14.998 -11.615 1.00 0.00 H new ATOM 502 N ALA A 37 7.802 13.884 -7.884 1.00 0.00 N ATOM 503 CA ALA A 37 6.475 14.181 -7.358 1.00 0.00 C ATOM 504 C ALA A 37 6.552 14.657 -5.911 1.00 0.00 C ATOM 505 O ALA A 37 6.015 15.709 -5.564 1.00 0.00 O ATOM 506 CB ALA A 37 5.578 12.957 -7.466 1.00 0.00 C ATOM 0 H ALA A 37 7.838 13.076 -8.505 1.00 0.00 H new ATOM 0 HA ALA A 37 6.046 14.986 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.591 13.193 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.488 12.663 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.012 12.137 -6.894 1.00 0.00 H new ATOM 512 N VAL A 38 7.223 13.876 -5.071 1.00 0.00 N ATOM 513 CA VAL A 38 7.370 14.218 -3.661 1.00 0.00 C ATOM 514 C VAL A 38 8.154 15.514 -3.489 1.00 0.00 C ATOM 515 O VAL A 38 7.708 16.434 -2.805 1.00 0.00 O ATOM 516 CB VAL A 38 8.079 13.094 -2.882 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.228 13.473 -1.416 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.320 11.784 -3.028 1.00 0.00 C ATOM 0 H VAL A 38 7.674 13.002 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 38 6.365 14.349 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 38 9.076 12.958 -3.301 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.731 12.667 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.818 14.386 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.242 13.637 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.835 11.001 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.310 11.903 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.270 11.508 -4.081 1.00 0.00 H new ATOM 528 N ALA A 39 9.324 15.578 -4.116 1.00 0.00 N ATOM 529 CA ALA A 39 10.170 16.763 -4.034 1.00 0.00 C ATOM 530 C ALA A 39 9.342 18.038 -4.158 1.00 0.00 C ATOM 531 O ALA A 39 9.518 18.979 -3.386 1.00 0.00 O ATOM 532 CB ALA A 39 11.242 16.721 -5.113 1.00 0.00 C ATOM 0 H ALA A 39 9.708 14.824 -4.686 1.00 0.00 H new ATOM 0 HA ALA A 39 10.653 16.768 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.866 17.611 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.859 15.833 -4.978 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.769 16.689 -6.095 1.00 0.00 H new ATOM 538 N GLU A 40 8.441 18.060 -5.134 1.00 0.00 N ATOM 539 CA GLU A 40 7.587 19.221 -5.359 1.00 0.00 C ATOM 540 C GLU A 40 6.709 19.495 -4.141 1.00 0.00 C ATOM 541 O GLU A 40 6.479 20.647 -3.774 1.00 0.00 O ATOM 542 CB GLU A 40 6.712 19.007 -6.595 1.00 0.00 C ATOM 543 CG GLU A 40 7.354 19.486 -7.886 1.00 0.00 C ATOM 544 CD GLU A 40 7.984 20.859 -7.750 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.232 21.844 -7.594 1.00 0.00 O ATOM 546 OE2 GLU A 40 9.229 20.949 -7.799 1.00 0.00 O ATOM 0 H GLU A 40 8.283 17.288 -5.782 1.00 0.00 H new ATOM 0 HA GLU A 40 8.230 20.086 -5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.480 17.946 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.765 19.529 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.115 18.770 -8.196 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.601 19.512 -8.674 1.00 0.00 H new ATOM 553 N LEU A 41 6.221 18.427 -3.520 1.00 0.00 N ATOM 554 CA LEU A 41 5.367 18.550 -2.343 1.00 0.00 C ATOM 555 C LEU A 41 6.088 19.292 -1.222 1.00 0.00 C ATOM 556 O LEU A 41 5.534 20.207 -0.612 1.00 0.00 O ATOM 557 CB LEU A 41 4.933 17.166 -1.857 1.00 0.00 C ATOM 558 CG LEU A 41 3.919 17.145 -0.713 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.621 17.816 -1.136 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.658 15.716 -0.258 1.00 0.00 C ATOM 0 H LEU A 41 6.402 17.466 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 41 4.484 19.124 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.509 16.623 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.821 16.619 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 41 4.336 17.703 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.912 17.791 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.820 18.851 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.200 17.287 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.934 15.720 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.263 15.135 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.590 15.268 0.087 1.00 0.00 H new ATOM 572 N LYS A 42 7.328 18.893 -0.958 1.00 0.00 N ATOM 573 CA LYS A 42 8.127 19.522 0.087 1.00 0.00 C ATOM 574 C LYS A 42 8.313 21.010 -0.191 1.00 0.00 C ATOM 575 O LYS A 42 7.979 21.854 0.641 1.00 0.00 O ATOM 576 CB LYS A 42 9.492 18.838 0.195 1.00 0.00 C ATOM 577 CG LYS A 42 9.502 17.646 1.135 1.00 0.00 C ATOM 578 CD LYS A 42 9.131 16.362 0.413 1.00 0.00 C ATOM 579 CE LYS A 42 9.794 15.151 1.051 1.00 0.00 C ATOM 580 NZ LYS A 42 11.245 15.078 0.725 1.00 0.00 N ATOM 0 H LYS A 42 7.801 18.137 -1.453 1.00 0.00 H new ATOM 0 HA LYS A 42 7.596 19.411 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.804 18.511 -0.797 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.228 19.566 0.537 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.491 17.541 1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.802 17.820 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.049 16.235 0.428 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.430 16.432 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.666 15.195 2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.298 14.243 0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.620 14.153 1.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.377 15.198 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.753 15.832 1.230 1.00 0.00 H new ATOM 594 N ASP A 43 8.847 21.325 -1.366 1.00 0.00 N ATOM 595 CA ASP A 43 9.075 22.712 -1.756 1.00 0.00 C ATOM 596 C ASP A 43 7.807 23.542 -1.578 1.00 0.00 C ATOM 597 O ASP A 43 7.859 24.684 -1.120 1.00 0.00 O ATOM 598 CB ASP A 43 9.548 22.785 -3.208 1.00 0.00 C ATOM 599 CG ASP A 43 9.991 24.180 -3.603 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.992 24.667 -3.037 1.00 0.00 O ATOM 601 OD2 ASP A 43 9.336 24.786 -4.477 1.00 0.00 O ATOM 0 H ASP A 43 9.130 20.639 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 43 9.850 23.123 -1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.375 22.090 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.741 22.463 -3.867 1.00 0.00 H new ATOM 606 N CYS A 44 6.670 22.961 -1.945 1.00 0.00 N ATOM 607 CA CYS A 44 5.388 23.647 -1.828 1.00 0.00 C ATOM 608 C CYS A 44 5.141 24.097 -0.392 1.00 0.00 C ATOM 609 O CYS A 44 4.888 25.275 -0.135 1.00 0.00 O ATOM 610 CB CYS A 44 4.253 22.733 -2.291 1.00 0.00 C ATOM 611 SG CYS A 44 4.248 22.404 -4.069 1.00 0.00 S ATOM 0 H CYS A 44 6.610 22.017 -2.326 1.00 0.00 H new ATOM 0 HA CYS A 44 5.417 24.530 -2.466 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.324 21.785 -1.757 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.301 23.185 -2.013 1.00 0.00 H new ATOM 0 HG CYS A 44 5.219 21.591 -4.363 1.00 0.00 H new ATOM 617 N ILE A 45 5.216 23.153 0.540 1.00 0.00 N ATOM 618 CA ILE A 45 5.000 23.453 1.950 1.00 0.00 C ATOM 619 C ILE A 45 6.016 24.471 2.457 1.00 0.00 C ATOM 620 O ILE A 45 5.650 25.485 3.049 1.00 0.00 O ATOM 621 CB ILE A 45 5.087 22.182 2.816 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.983 21.197 2.426 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.989 22.539 4.291 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.361 19.749 2.644 1.00 0.00 C ATOM 0 H ILE A 45 5.425 22.174 0.344 1.00 0.00 H new ATOM 0 HA ILE A 45 3.997 23.871 2.034 1.00 0.00 H new ATOM 0 HB ILE A 45 6.052 21.706 2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.086 21.421 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.730 21.344 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.052 21.631 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.807 23.208 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.038 23.035 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.531 19.108 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.239 19.508 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.585 19.586 3.698 1.00 0.00 H new ATOM 636 N GLU A 46 7.294 24.192 2.219 1.00 0.00 N ATOM 637 CA GLU A 46 8.363 25.084 2.652 1.00 0.00 C ATOM 638 C GLU A 46 8.148 26.494 2.110 1.00 0.00 C ATOM 639 O GLU A 46 8.492 27.481 2.760 1.00 0.00 O ATOM 640 CB GLU A 46 9.721 24.551 2.190 1.00 0.00 C ATOM 641 CG GLU A 46 10.203 23.345 2.980 1.00 0.00 C ATOM 642 CD GLU A 46 10.940 23.735 4.246 1.00 0.00 C ATOM 643 OE1 GLU A 46 12.050 24.297 4.137 1.00 0.00 O ATOM 644 OE2 GLU A 46 10.407 23.478 5.346 1.00 0.00 O ATOM 0 H GLU A 46 7.614 23.356 1.729 1.00 0.00 H new ATOM 0 HA GLU A 46 8.348 25.125 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.657 24.282 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.461 25.347 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.349 22.720 3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.860 22.743 2.352 1.00 0.00 H new ATOM 783 N SER A 55 2.300 15.770 -10.373 1.00 0.00 N ATOM 784 CA SER A 55 2.770 14.392 -10.448 1.00 0.00 C ATOM 785 C SER A 55 2.344 13.604 -9.213 1.00 0.00 C ATOM 786 O SER A 55 2.706 13.948 -8.087 1.00 0.00 O ATOM 787 CB SER A 55 4.293 14.357 -10.589 1.00 0.00 C ATOM 788 OG SER A 55 4.738 13.079 -11.010 1.00 0.00 O ATOM 0 HA SER A 55 2.320 13.928 -11.326 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.612 15.111 -11.308 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.755 14.610 -9.635 1.00 0.00 H new ATOM 0 HG SER A 55 5.714 13.084 -11.094 1.00 0.00 H new ATOM 794 N LYS A 56 1.572 12.545 -9.432 1.00 0.00 N ATOM 795 CA LYS A 56 1.096 11.706 -8.339 1.00 0.00 C ATOM 796 C LYS A 56 2.241 10.901 -7.732 1.00 0.00 C ATOM 797 O LYS A 56 3.093 10.376 -8.449 1.00 0.00 O ATOM 798 CB LYS A 56 0.001 10.759 -8.835 1.00 0.00 C ATOM 799 CG LYS A 56 -1.402 11.320 -8.681 1.00 0.00 C ATOM 800 CD LYS A 56 -2.387 10.616 -9.600 1.00 0.00 C ATOM 801 CE LYS A 56 -2.507 11.329 -10.938 1.00 0.00 C ATOM 802 NZ LYS A 56 -3.509 10.677 -11.826 1.00 0.00 N ATOM 0 H LYS A 56 1.263 12.247 -10.357 1.00 0.00 H new ATOM 0 HA LYS A 56 0.684 12.357 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.179 10.530 -9.886 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.070 9.819 -8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.727 11.212 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.395 12.387 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.064 9.588 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.365 10.571 -9.121 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.791 12.368 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.536 11.339 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.561 11.192 -12.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.225 9.693 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.441 10.690 -11.365 1.00 0.00 H new ATOM 816 N VAL A 57 2.256 10.808 -6.406 1.00 0.00 N ATOM 817 CA VAL A 57 3.295 10.065 -5.703 1.00 0.00 C ATOM 818 C VAL A 57 3.169 8.568 -5.959 1.00 0.00 C ATOM 819 O VAL A 57 2.406 7.874 -5.287 1.00 0.00 O ATOM 820 CB VAL A 57 3.238 10.321 -4.185 1.00 0.00 C ATOM 821 CG1 VAL A 57 4.348 9.562 -3.474 1.00 0.00 C ATOM 822 CG2 VAL A 57 3.329 11.812 -3.893 1.00 0.00 C ATOM 0 H VAL A 57 1.560 11.238 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 57 4.252 10.417 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 57 2.282 9.957 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.292 9.755 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.233 8.494 -3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.315 9.893 -3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.287 11.975 -2.816 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.269 12.202 -4.283 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.496 12.328 -4.371 1.00 0.00 H new ATOM 832 N TYR A 58 3.923 8.075 -6.936 1.00 0.00 N ATOM 833 CA TYR A 58 3.895 6.660 -7.283 1.00 0.00 C ATOM 834 C TYR A 58 5.008 5.901 -6.568 1.00 0.00 C ATOM 835 O TYR A 58 6.189 6.081 -6.866 1.00 0.00 O ATOM 836 CB TYR A 58 4.032 6.482 -8.796 1.00 0.00 C ATOM 837 CG TYR A 58 4.197 5.041 -9.224 1.00 0.00 C ATOM 838 CD1 TYR A 58 3.371 4.046 -8.717 1.00 0.00 C ATOM 839 CD2 TYR A 58 5.179 4.675 -10.136 1.00 0.00 C ATOM 840 CE1 TYR A 58 3.519 2.728 -9.104 1.00 0.00 C ATOM 841 CE2 TYR A 58 5.334 3.360 -10.531 1.00 0.00 C ATOM 842 CZ TYR A 58 4.502 2.390 -10.011 1.00 0.00 C ATOM 843 OH TYR A 58 4.652 1.079 -10.401 1.00 0.00 O ATOM 0 H TYR A 58 4.561 8.635 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 58 2.937 6.252 -6.961 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.151 6.898 -9.284 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.890 7.056 -9.145 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.600 4.307 -8.008 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.833 5.432 -10.544 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.869 1.967 -8.699 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.102 3.093 -11.242 1.00 0.00 H new ATOM 0 HH TYR A 58 5.388 1.011 -11.045 1.00 0.00 H new ATOM 853 N PHE A 59 4.623 5.050 -5.622 1.00 0.00 N ATOM 854 CA PHE A 59 5.587 4.263 -4.863 1.00 0.00 C ATOM 855 C PHE A 59 5.065 2.850 -4.621 1.00 0.00 C ATOM 856 O PHE A 59 3.941 2.661 -4.156 1.00 0.00 O ATOM 857 CB PHE A 59 5.892 4.942 -3.526 1.00 0.00 C ATOM 858 CG PHE A 59 4.696 5.052 -2.624 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.687 5.961 -2.896 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.581 4.245 -1.503 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.586 6.065 -2.067 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.482 4.344 -0.670 1.00 0.00 C ATOM 863 CZ PHE A 59 2.483 5.254 -0.953 1.00 0.00 C ATOM 0 H PHE A 59 3.650 4.888 -5.363 1.00 0.00 H new ATOM 0 HA PHE A 59 6.505 4.197 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.674 4.382 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.287 5.940 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.761 6.596 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.359 3.531 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.807 6.779 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.405 3.710 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.623 5.332 -0.305 1.00 0.00 H new ATOM 873 N THR A 60 5.891 1.858 -4.941 1.00 0.00 N ATOM 874 CA THR A 60 5.514 0.462 -4.761 1.00 0.00 C ATOM 875 C THR A 60 5.996 -0.069 -3.416 1.00 0.00 C ATOM 876 O THR A 60 7.053 0.328 -2.925 1.00 0.00 O ATOM 877 CB THR A 60 6.085 -0.424 -5.885 1.00 0.00 C ATOM 878 OG1 THR A 60 5.691 0.089 -7.162 1.00 0.00 O ATOM 879 CG2 THR A 60 5.605 -1.860 -5.739 1.00 0.00 C ATOM 0 H THR A 60 6.825 1.996 -5.326 1.00 0.00 H new ATOM 0 HA THR A 60 4.425 0.422 -4.795 1.00 0.00 H new ATOM 0 HB THR A 60 7.172 -0.412 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.060 -0.479 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.021 -2.466 -6.544 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.933 -2.257 -4.778 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.517 -1.887 -5.790 1.00 0.00 H new ATOM 887 N ILE A 61 5.216 -0.969 -2.826 1.00 0.00 N ATOM 888 CA ILE A 61 5.565 -1.555 -1.538 1.00 0.00 C ATOM 889 C ILE A 61 5.696 -3.071 -1.642 1.00 0.00 C ATOM 890 O ILE A 61 4.727 -3.768 -1.936 1.00 0.00 O ATOM 891 CB ILE A 61 4.518 -1.213 -0.462 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.541 0.286 -0.154 1.00 0.00 C ATOM 893 CG2 ILE A 61 4.774 -2.022 0.801 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.610 0.687 0.968 1.00 0.00 C ATOM 0 H ILE A 61 4.338 -1.308 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 61 6.525 -1.129 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 61 3.530 -1.471 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.558 0.580 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.271 0.838 -1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.026 -1.770 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.712 -3.086 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.767 -1.791 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.679 1.763 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.586 0.425 0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.893 0.163 1.881 1.00 0.00 H new ATOM 906 N ASN A 62 6.901 -3.573 -1.395 1.00 0.00 N ATOM 907 CA ASN A 62 7.159 -5.007 -1.459 1.00 0.00 C ATOM 908 C ASN A 62 6.900 -5.667 -0.108 1.00 0.00 C ATOM 909 O ASN A 62 7.476 -5.274 0.906 1.00 0.00 O ATOM 910 CB ASN A 62 8.601 -5.268 -1.899 1.00 0.00 C ATOM 911 CG ASN A 62 8.931 -4.603 -3.221 1.00 0.00 C ATOM 912 OD1 ASN A 62 8.038 -4.218 -3.975 1.00 0.00 O ATOM 913 ND2 ASN A 62 10.221 -4.466 -3.509 1.00 0.00 N ATOM 0 H ASN A 62 7.714 -3.009 -1.149 1.00 0.00 H new ATOM 0 HA ASN A 62 6.479 -5.441 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.284 -4.903 -1.132 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.763 -6.342 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.504 -4.027 -4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.928 -4.800 -2.854 1.00 0.00 H new ATOM 920 N MET A 63 6.031 -6.672 -0.103 1.00 0.00 N ATOM 921 CA MET A 63 5.698 -7.388 1.123 1.00 0.00 C ATOM 922 C MET A 63 5.705 -8.896 0.891 1.00 0.00 C ATOM 923 O MET A 63 4.933 -9.413 0.085 1.00 0.00 O ATOM 924 CB MET A 63 4.327 -6.947 1.640 1.00 0.00 C ATOM 925 CG MET A 63 4.235 -5.456 1.922 1.00 0.00 C ATOM 926 SD MET A 63 3.051 -5.067 3.224 1.00 0.00 S ATOM 927 CE MET A 63 1.708 -6.174 2.802 1.00 0.00 C ATOM 0 H MET A 63 5.545 -7.009 -0.934 1.00 0.00 H new ATOM 0 HA MET A 63 6.455 -7.149 1.870 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.567 -7.217 0.907 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.098 -7.496 2.553 1.00 0.00 H new ATOM 0 HG2 MET A 63 5.219 -5.083 2.207 1.00 0.00 H new ATOM 0 HG3 MET A 63 3.949 -4.934 1.009 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.822 -5.907 3.378 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.488 -6.090 1.738 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.995 -7.200 3.034 1.00 0.00 H new ATOM 937 N ASN A 64 6.583 -9.595 1.604 1.00 0.00 N ATOM 938 CA ASN A 64 6.691 -11.044 1.474 1.00 0.00 C ATOM 939 C ASN A 64 5.836 -11.749 2.523 1.00 0.00 C ATOM 940 O ASN A 64 5.939 -11.465 3.717 1.00 0.00 O ATOM 941 CB ASN A 64 8.150 -11.482 1.612 1.00 0.00 C ATOM 942 CG ASN A 64 8.455 -12.736 0.816 1.00 0.00 C ATOM 943 OD1 ASN A 64 9.468 -12.812 0.121 1.00 0.00 O ATOM 944 ND2 ASN A 64 7.577 -13.727 0.914 1.00 0.00 N ATOM 0 H ASN A 64 7.229 -9.182 2.277 1.00 0.00 H new ATOM 0 HA ASN A 64 6.327 -11.323 0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.802 -10.675 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.376 -11.659 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.729 -14.595 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.751 -13.620 1.502 1.00 0.00 H new ATOM 951 N LEU A 65 4.992 -12.669 2.069 1.00 0.00 N ATOM 952 CA LEU A 65 4.119 -13.416 2.968 1.00 0.00 C ATOM 953 C LEU A 65 4.086 -14.894 2.592 1.00 0.00 C ATOM 954 O LEU A 65 4.371 -15.261 1.452 1.00 0.00 O ATOM 955 CB LEU A 65 2.703 -12.838 2.933 1.00 0.00 C ATOM 956 CG LEU A 65 2.601 -11.323 2.756 1.00 0.00 C ATOM 957 CD1 LEU A 65 1.323 -10.956 2.018 1.00 0.00 C ATOM 958 CD2 LEU A 65 2.658 -10.624 4.107 1.00 0.00 C ATOM 0 H LEU A 65 4.894 -12.916 1.084 1.00 0.00 H new ATOM 0 HA LEU A 65 4.517 -13.326 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.157 -13.316 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.198 -13.110 3.860 1.00 0.00 H new ATOM 0 HG LEU A 65 3.449 -10.988 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.268 -9.874 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.322 -11.427 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.461 -11.304 2.588 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.584 -9.546 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.829 -10.964 4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.601 -10.860 4.599 1.00 0.00 H new ATOM 970 N ASP A 66 3.736 -15.737 3.557 1.00 0.00 N ATOM 971 CA ASP A 66 3.663 -17.175 3.327 1.00 0.00 C ATOM 972 C ASP A 66 2.277 -17.577 2.832 1.00 0.00 C ATOM 973 O ASP A 66 1.262 -17.105 3.346 1.00 0.00 O ATOM 974 CB ASP A 66 4.001 -17.936 4.609 1.00 0.00 C ATOM 975 CG ASP A 66 5.473 -17.850 4.963 1.00 0.00 C ATOM 976 OD1 ASP A 66 5.927 -16.752 5.345 1.00 0.00 O ATOM 977 OD2 ASP A 66 6.170 -18.881 4.857 1.00 0.00 O ATOM 0 H ASP A 66 3.498 -15.449 4.506 1.00 0.00 H new ATOM 0 HA ASP A 66 4.392 -17.432 2.558 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.409 -17.536 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.719 -18.982 4.492 1.00 0.00 H new ATOM 982 N VAL A 67 2.241 -18.450 1.831 1.00 0.00 N ATOM 983 CA VAL A 67 0.980 -18.915 1.267 1.00 0.00 C ATOM 984 C VAL A 67 0.775 -20.403 1.531 1.00 0.00 C ATOM 985 O VAL A 67 -0.299 -20.825 1.960 1.00 0.00 O ATOM 986 CB VAL A 67 0.916 -18.661 -0.251 1.00 0.00 C ATOM 987 CG1 VAL A 67 0.486 -17.230 -0.535 1.00 0.00 C ATOM 988 CG2 VAL A 67 2.260 -18.961 -0.898 1.00 0.00 C ATOM 0 H VAL A 67 3.071 -18.850 1.394 1.00 0.00 H new ATOM 0 HA VAL A 67 0.187 -18.349 1.756 1.00 0.00 H new ATOM 0 HB VAL A 67 0.173 -19.331 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.446 -17.069 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.500 -17.054 -0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.203 -16.540 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.197 -18.776 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.025 -18.317 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.522 -20.005 -0.724 1.00 0.00 H new ATOM 998 N SER A 68 1.812 -21.193 1.273 1.00 0.00 N ATOM 999 CA SER A 68 1.745 -22.634 1.480 1.00 0.00 C ATOM 1000 C SER A 68 3.103 -23.283 1.227 1.00 0.00 C ATOM 1001 O SER A 68 4.085 -22.600 0.935 1.00 0.00 O ATOM 1002 CB SER A 68 0.692 -23.255 0.559 1.00 0.00 C ATOM 1003 OG SER A 68 0.787 -22.727 -0.753 1.00 0.00 O ATOM 0 H SER A 68 2.709 -20.859 0.920 1.00 0.00 H new ATOM 0 HA SER A 68 1.462 -22.814 2.517 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.823 -24.337 0.529 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.304 -23.065 0.960 1.00 0.00 H new ATOM 0 HG SER A 68 0.105 -23.141 -1.322 1.00 0.00 H new ATOM 1009 N ASP A 69 3.150 -24.605 1.342 1.00 0.00 N ATOM 1010 CA ASP A 69 4.386 -25.348 1.126 1.00 0.00 C ATOM 1011 C ASP A 69 5.548 -24.698 1.870 1.00 0.00 C ATOM 1012 O ASP A 69 6.623 -24.495 1.306 1.00 0.00 O ATOM 1013 CB ASP A 69 4.703 -25.430 -0.368 1.00 0.00 C ATOM 1014 CG ASP A 69 4.035 -26.614 -1.037 1.00 0.00 C ATOM 1015 OD1 ASP A 69 4.069 -27.721 -0.458 1.00 0.00 O ATOM 1016 OD2 ASP A 69 3.478 -26.436 -2.140 1.00 0.00 O ATOM 0 H ASP A 69 2.346 -25.185 1.584 1.00 0.00 H new ATOM 0 HA ASP A 69 4.247 -26.356 1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.380 -24.511 -0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.782 -25.501 -0.504 1.00 0.00 H new ATOM 1021 N GLU A 70 5.324 -24.373 3.140 1.00 0.00 N ATOM 1022 CA GLU A 70 6.352 -23.743 3.960 1.00 0.00 C ATOM 1023 C GLU A 70 7.148 -22.725 3.148 1.00 0.00 C ATOM 1024 O GLU A 70 8.312 -22.453 3.441 1.00 0.00 O ATOM 1025 CB GLU A 70 7.295 -24.801 4.536 1.00 0.00 C ATOM 1026 CG GLU A 70 8.084 -25.554 3.478 1.00 0.00 C ATOM 1027 CD GLU A 70 8.993 -26.613 4.071 1.00 0.00 C ATOM 1028 OE1 GLU A 70 9.863 -26.256 4.893 1.00 0.00 O ATOM 1029 OE2 GLU A 70 8.835 -27.799 3.713 1.00 0.00 O ATOM 0 H GLU A 70 4.440 -24.536 3.623 1.00 0.00 H new ATOM 0 HA GLU A 70 5.858 -23.222 4.780 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.991 -24.320 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.714 -25.514 5.120 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.391 -26.025 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.683 -24.846 2.905 1.00 0.00 H new ATOM 1036 N LYS A 71 6.510 -22.164 2.126 1.00 0.00 N ATOM 1037 CA LYS A 71 7.156 -21.175 1.270 1.00 0.00 C ATOM 1038 C LYS A 71 6.449 -19.827 1.368 1.00 0.00 C ATOM 1039 O LYS A 71 5.466 -19.683 2.094 1.00 0.00 O ATOM 1040 CB LYS A 71 7.164 -21.655 -0.183 1.00 0.00 C ATOM 1041 CG LYS A 71 8.384 -22.485 -0.543 1.00 0.00 C ATOM 1042 CD LYS A 71 8.747 -22.334 -2.011 1.00 0.00 C ATOM 1043 CE LYS A 71 7.507 -22.281 -2.889 1.00 0.00 C ATOM 1044 NZ LYS A 71 7.784 -22.766 -4.270 1.00 0.00 N ATOM 0 H LYS A 71 5.546 -22.377 1.870 1.00 0.00 H new ATOM 0 HA LYS A 71 8.184 -21.052 1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.266 -22.245 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.117 -20.789 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.228 -22.180 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.190 -23.534 -0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.332 -21.425 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.377 -23.169 -2.319 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.719 -22.888 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.135 -21.257 -2.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.914 -22.714 -4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.518 -22.172 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.114 -23.751 -4.232 1.00 0.00 H new ATOM 1058 N MET A 72 6.955 -18.844 0.631 1.00 0.00 N ATOM 1059 CA MET A 72 6.370 -17.509 0.633 1.00 0.00 C ATOM 1060 C MET A 72 6.611 -16.807 -0.700 1.00 0.00 C ATOM 1061 O MET A 72 7.544 -17.144 -1.429 1.00 0.00 O ATOM 1062 CB MET A 72 6.954 -16.674 1.775 1.00 0.00 C ATOM 1063 CG MET A 72 8.473 -16.695 1.828 1.00 0.00 C ATOM 1064 SD MET A 72 9.120 -16.162 3.424 1.00 0.00 S ATOM 1065 CE MET A 72 8.187 -14.655 3.681 1.00 0.00 C ATOM 0 H MET A 72 7.769 -18.947 0.025 1.00 0.00 H new ATOM 0 HA MET A 72 5.295 -17.612 0.780 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.617 -15.643 1.670 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.560 -17.043 2.722 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.826 -17.704 1.616 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.869 -16.048 1.045 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.060 -14.484 4.750 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.724 -13.815 3.240 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.209 -14.748 3.209 1.00 0.00 H new ATOM 1075 N ALA A 73 5.765 -15.831 -1.011 1.00 0.00 N ATOM 1076 CA ALA A 73 5.888 -15.081 -2.255 1.00 0.00 C ATOM 1077 C ALA A 73 5.972 -13.582 -1.987 1.00 0.00 C ATOM 1078 O ALA A 73 5.707 -13.125 -0.876 1.00 0.00 O ATOM 1079 CB ALA A 73 4.716 -15.390 -3.175 1.00 0.00 C ATOM 0 H ALA A 73 4.987 -15.541 -0.419 1.00 0.00 H new ATOM 0 HA ALA A 73 6.812 -15.388 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.820 -14.823 -4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.703 -16.456 -3.402 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.784 -15.112 -2.683 1.00 0.00 H new ATOM 1085 N MET A 74 6.345 -12.823 -3.012 1.00 0.00 N ATOM 1086 CA MET A 74 6.463 -11.374 -2.886 1.00 0.00 C ATOM 1087 C MET A 74 5.330 -10.670 -3.624 1.00 0.00 C ATOM 1088 O MET A 74 5.154 -10.850 -4.829 1.00 0.00 O ATOM 1089 CB MET A 74 7.813 -10.903 -3.430 1.00 0.00 C ATOM 1090 CG MET A 74 8.348 -9.661 -2.735 1.00 0.00 C ATOM 1091 SD MET A 74 7.086 -8.395 -2.506 1.00 0.00 S ATOM 1092 CE MET A 74 7.390 -7.352 -3.930 1.00 0.00 C ATOM 0 H MET A 74 6.571 -13.186 -3.938 1.00 0.00 H new ATOM 0 HA MET A 74 6.396 -11.119 -1.828 1.00 0.00 H new ATOM 0 HB2 MET A 74 8.539 -11.709 -3.325 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.715 -10.699 -4.496 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.757 -9.941 -1.764 1.00 0.00 H new ATOM 0 HG3 MET A 74 9.170 -9.248 -3.320 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.840 -6.417 -3.821 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.456 -7.139 -4.004 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.059 -7.864 -4.833 1.00 0.00 H new ATOM 1102 N PHE A 75 4.563 -9.867 -2.894 1.00 0.00 N ATOM 1103 CA PHE A 75 3.445 -9.136 -3.479 1.00 0.00 C ATOM 1104 C PHE A 75 3.812 -7.673 -3.709 1.00 0.00 C ATOM 1105 O PHE A 75 4.569 -7.084 -2.938 1.00 0.00 O ATOM 1106 CB PHE A 75 2.216 -9.229 -2.572 1.00 0.00 C ATOM 1107 CG PHE A 75 1.445 -10.507 -2.736 1.00 0.00 C ATOM 1108 CD1 PHE A 75 2.096 -11.730 -2.738 1.00 0.00 C ATOM 1109 CD2 PHE A 75 0.068 -10.486 -2.890 1.00 0.00 C ATOM 1110 CE1 PHE A 75 1.389 -12.908 -2.889 1.00 0.00 C ATOM 1111 CE2 PHE A 75 -0.645 -11.660 -3.040 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.017 -12.873 -3.041 1.00 0.00 C ATOM 0 H PHE A 75 4.695 -9.706 -1.896 1.00 0.00 H new ATOM 0 HA PHE A 75 3.212 -9.589 -4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.533 -9.136 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.556 -8.387 -2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.169 -11.763 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.454 -9.541 -2.893 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.909 -13.855 -2.888 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.718 -11.630 -3.156 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.538 -13.792 -3.160 1.00 0.00 H new ATOM 1122 N SER A 76 3.272 -7.094 -4.777 1.00 0.00 N ATOM 1123 CA SER A 76 3.546 -5.702 -5.112 1.00 0.00 C ATOM 1124 C SER A 76 2.289 -4.850 -4.963 1.00 0.00 C ATOM 1125 O SER A 76 1.266 -5.116 -5.595 1.00 0.00 O ATOM 1126 CB SER A 76 4.081 -5.595 -6.541 1.00 0.00 C ATOM 1127 OG SER A 76 5.346 -6.222 -6.659 1.00 0.00 O ATOM 0 H SER A 76 2.642 -7.568 -5.425 1.00 0.00 H new ATOM 0 HA SER A 76 4.301 -5.329 -4.420 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.376 -6.057 -7.232 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.164 -4.546 -6.824 1.00 0.00 H new ATOM 0 HG SER A 76 5.666 -6.142 -7.582 1.00 0.00 H new ATOM 1133 N LEU A 77 2.373 -3.825 -4.122 1.00 0.00 N ATOM 1134 CA LEU A 77 1.243 -2.932 -3.888 1.00 0.00 C ATOM 1135 C LEU A 77 1.501 -1.557 -4.495 1.00 0.00 C ATOM 1136 O LEU A 77 2.118 -0.697 -3.868 1.00 0.00 O ATOM 1137 CB LEU A 77 0.975 -2.798 -2.388 1.00 0.00 C ATOM 1138 CG LEU A 77 0.014 -3.823 -1.784 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.746 -5.116 -1.461 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.652 -3.259 -0.537 1.00 0.00 C ATOM 0 H LEU A 77 3.212 -3.591 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 77 0.365 -3.363 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.927 -2.868 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.578 -1.801 -2.198 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.761 -4.043 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.046 -5.833 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.175 -5.529 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.543 -4.914 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.332 -4.002 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.110 -3.010 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.211 -2.361 -0.798 1.00 0.00 H new ATOM 1152 N ALA A 78 1.022 -1.357 -5.719 1.00 0.00 N ATOM 1153 CA ALA A 78 1.197 -0.085 -6.409 1.00 0.00 C ATOM 1154 C ALA A 78 0.231 0.967 -5.875 1.00 0.00 C ATOM 1155 O ALA A 78 -0.957 0.954 -6.199 1.00 0.00 O ATOM 1156 CB ALA A 78 1.007 -0.267 -7.907 1.00 0.00 C ATOM 0 H ALA A 78 0.510 -2.060 -6.253 1.00 0.00 H new ATOM 0 HA ALA A 78 2.212 0.265 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.141 0.691 -8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.741 -0.980 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.003 -0.643 -8.103 1.00 0.00 H new ATOM 1162 N CYS A 79 0.747 1.876 -5.055 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.071 2.935 -4.474 1.00 0.00 C ATOM 1164 C CYS A 79 0.184 4.265 -5.176 1.00 0.00 C ATOM 1165 O CYS A 79 1.315 4.573 -5.553 1.00 0.00 O ATOM 1166 CB CYS A 79 0.219 3.070 -2.979 1.00 0.00 C ATOM 1167 SG CYS A 79 -0.721 4.379 -2.160 1.00 0.00 S ATOM 0 H CYS A 79 1.728 1.901 -4.777 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.119 2.667 -4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.001 2.120 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.283 3.262 -2.842 1.00 0.00 H new ATOM 0 HG CYS A 79 0.094 5.159 -1.514 1.00 0.00 H new ATOM 1173 N ILE A 80 -0.875 5.049 -5.348 1.00 0.00 N ATOM 1174 CA ILE A 80 -0.767 6.346 -6.005 1.00 0.00 C ATOM 1175 C ILE A 80 -1.614 7.395 -5.294 1.00 0.00 C ATOM 1176 O ILE A 80 -2.843 7.320 -5.293 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.199 6.267 -7.481 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.334 5.255 -8.236 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.110 7.639 -8.133 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -0.692 5.129 -9.700 1.00 0.00 C ATOM 0 H ILE A 80 -1.818 4.809 -5.041 1.00 0.00 H new ATOM 0 HA ILE A 80 0.282 6.637 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.236 5.933 -7.523 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.712 5.548 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.432 4.279 -7.761 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.418 7.567 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.765 8.334 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.083 8.000 -8.083 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.039 4.395 -10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.729 4.806 -9.795 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.566 6.095 -10.190 1.00 0.00 H new ATOM 1192 N LEU A 81 -0.949 8.374 -4.690 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.641 9.441 -3.976 1.00 0.00 C ATOM 1194 C LEU A 81 -2.044 10.562 -4.929 1.00 0.00 C ATOM 1195 O LEU A 81 -1.203 11.239 -5.521 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.750 9.998 -2.864 1.00 0.00 C ATOM 1197 CG LEU A 81 0.048 8.968 -2.064 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.993 9.661 -1.095 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -0.889 8.029 -1.319 1.00 0.00 C ATOM 0 H LEU A 81 0.068 8.451 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.545 9.022 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.050 10.706 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.376 10.560 -2.171 1.00 0.00 H new ATOM 0 HG LEU A 81 0.643 8.377 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.553 8.912 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.687 10.291 -1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.418 10.277 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.304 7.303 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.511 8.604 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.524 7.506 -2.034 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.361 10.765 -5.080 1.00 0.00 N ATOM 1212 CA PRO A 82 -3.906 11.805 -5.958 1.00 0.00 C ATOM 1213 C PRO A 82 -3.652 13.209 -5.421 1.00 0.00 C ATOM 1214 O PRO A 82 -2.954 13.385 -4.422 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.407 11.503 -5.977 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.665 10.788 -4.696 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.420 9.996 -4.405 1.00 0.00 C ATOM 0 HA PRO A 82 -3.442 11.790 -6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.994 12.419 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.676 10.887 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.876 11.493 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.532 10.134 -4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.237 9.915 -3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.490 8.980 -4.795 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.223 14.206 -6.089 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.057 15.595 -5.678 1.00 0.00 C ATOM 1227 C PHE A 83 -5.096 15.979 -4.628 1.00 0.00 C ATOM 1228 O PHE A 83 -5.037 17.063 -4.047 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.172 16.524 -6.889 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.624 15.930 -8.154 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.386 15.308 -8.164 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -4.347 15.993 -9.335 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.879 14.761 -9.328 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -3.846 15.447 -10.502 1.00 0.00 C ATOM 1235 CZ PHE A 83 -2.610 14.829 -10.497 1.00 0.00 C ATOM 0 H PHE A 83 -4.805 14.078 -6.917 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.065 15.702 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.220 16.780 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.644 17.454 -6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.810 15.250 -7.252 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.314 16.475 -9.344 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.912 14.281 -9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.419 15.503 -11.416 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.216 14.400 -11.407 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.047 15.083 -4.390 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.099 15.325 -3.410 1.00 0.00 C ATOM 1247 C LYS A 84 -6.669 14.857 -2.023 1.00 0.00 C ATOM 1248 O LYS A 84 -6.846 15.569 -1.034 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.386 14.609 -3.825 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.549 14.474 -5.329 1.00 0.00 C ATOM 1251 CD LYS A 84 -10.013 14.477 -5.735 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.206 15.067 -7.123 1.00 0.00 C ATOM 1253 NZ LYS A 84 -9.654 14.179 -8.184 1.00 0.00 N ATOM 0 H LYS A 84 -6.111 14.181 -4.863 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.284 16.398 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.400 13.616 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.240 15.153 -3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.031 15.294 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -8.079 13.549 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.399 13.458 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -10.591 15.051 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -11.268 15.232 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -9.719 16.041 -7.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.805 14.616 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -8.635 14.042 -8.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.136 13.258 -8.151 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.103 13.657 -1.958 1.00 0.00 N ATOM 1268 CA TYR A 85 -5.649 13.094 -0.692 1.00 0.00 C ATOM 1269 C TYR A 85 -5.221 14.196 0.272 1.00 0.00 C ATOM 1270 O TYR A 85 -4.609 15.192 -0.115 1.00 0.00 O ATOM 1271 CB TYR A 85 -4.487 12.128 -0.928 1.00 0.00 C ATOM 1272 CG TYR A 85 -4.468 10.958 0.030 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -5.621 10.223 0.282 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -3.300 10.587 0.683 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -5.609 9.154 1.156 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -3.279 9.518 1.558 1.00 0.00 C ATOM 1277 CZ TYR A 85 -4.436 8.805 1.792 1.00 0.00 C ATOM 1278 OH TYR A 85 -4.419 7.741 2.664 1.00 0.00 O ATOM 0 H TYR A 85 -5.948 13.056 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.481 12.549 -0.246 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -4.541 11.750 -1.949 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.548 12.674 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.542 10.493 -0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.392 11.144 0.504 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -6.514 8.594 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -2.361 9.242 2.056 1.00 0.00 H new ATOM 0 HH TYR A 85 -3.492 7.477 2.840 1.00 0.00 H new ATOM 1288 N PRO A 86 -5.550 14.014 1.560 1.00 0.00 N ATOM 1289 CA PRO A 86 -6.278 12.833 2.032 1.00 0.00 C ATOM 1290 C PRO A 86 -7.728 12.818 1.558 1.00 0.00 C ATOM 1291 O PRO A 86 -8.450 11.845 1.770 1.00 0.00 O ATOM 1292 CB PRO A 86 -6.215 12.963 3.556 1.00 0.00 C ATOM 1293 CG PRO A 86 -6.048 14.422 3.805 1.00 0.00 C ATOM 1294 CD PRO A 86 -5.236 14.948 2.654 1.00 0.00 C ATOM 0 HA PRO A 86 -5.845 11.908 1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.123 12.583 4.024 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.382 12.393 3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.015 14.922 3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.542 14.601 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.514 15.971 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.170 14.954 2.884 1.00 0.00 H new ATOM 1302 N ALA A 87 -8.146 13.903 0.915 1.00 0.00 N ATOM 1303 CA ALA A 87 -9.509 14.013 0.409 1.00 0.00 C ATOM 1304 C ALA A 87 -10.018 12.667 -0.095 1.00 0.00 C ATOM 1305 O ALA A 87 -10.807 12.001 0.574 1.00 0.00 O ATOM 1306 CB ALA A 87 -9.578 15.055 -0.698 1.00 0.00 C ATOM 0 H ALA A 87 -7.561 14.718 0.732 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.151 14.329 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.601 15.127 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.264 16.023 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.918 14.763 -1.515 1.00 0.00 H new ATOM 1312 N VAL A 88 -9.561 12.273 -1.280 1.00 0.00 N ATOM 1313 CA VAL A 88 -9.969 11.006 -1.873 1.00 0.00 C ATOM 1314 C VAL A 88 -8.906 9.933 -1.666 1.00 0.00 C ATOM 1315 O VAL A 88 -7.732 10.140 -1.976 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.245 11.156 -3.381 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.080 12.398 -3.651 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -8.939 11.202 -4.159 1.00 0.00 C ATOM 0 H VAL A 88 -8.908 12.814 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.888 10.703 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.811 10.287 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.264 12.487 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.031 12.319 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.544 13.280 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.153 11.308 -5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.344 12.051 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.383 10.280 -3.991 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.324 8.787 -1.142 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.407 7.680 -0.893 1.00 0.00 C ATOM 1330 C LEU A 89 -7.458 7.483 -2.072 1.00 0.00 C ATOM 1331 O LEU A 89 -7.728 7.910 -3.195 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.190 6.391 -0.635 1.00 0.00 C ATOM 1333 CG LEU A 89 -9.791 6.240 0.763 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -10.700 5.023 0.825 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -8.689 6.139 1.809 1.00 0.00 C ATOM 0 H LEU A 89 -10.292 8.599 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.816 7.923 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.997 6.328 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.528 5.545 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.389 7.126 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.118 4.932 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.509 5.136 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.125 4.127 0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -9.135 6.032 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.064 5.271 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.078 7.041 1.782 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.322 6.821 -1.812 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.311 6.550 -2.839 1.00 0.00 C ATOM 1349 C PRO A 90 -5.787 5.529 -3.866 1.00 0.00 C ATOM 1350 O PRO A 90 -6.966 5.177 -3.904 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.132 5.993 -2.038 1.00 0.00 C ATOM 1352 CG PRO A 90 -4.746 5.418 -0.809 1.00 0.00 C ATOM 1353 CD PRO A 90 -5.935 6.284 -0.496 1.00 0.00 C ATOM 0 HA PRO A 90 -5.068 7.442 -3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.593 5.233 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.415 6.776 -1.793 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.049 4.384 -0.971 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.036 5.416 0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.743 5.709 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.679 7.080 0.203 1.00 0.00 H new ATOM 1361 N GLU A 91 -4.863 5.057 -4.697 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.190 4.076 -5.725 1.00 0.00 C ATOM 1363 C GLU A 91 -4.248 2.878 -5.653 1.00 0.00 C ATOM 1364 O GLU A 91 -3.449 2.648 -6.562 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.117 4.714 -7.113 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.048 5.902 -7.287 1.00 0.00 C ATOM 1367 CD GLU A 91 -6.507 6.079 -8.721 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -6.367 5.121 -9.510 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -7.004 7.175 -9.055 1.00 0.00 O ATOM 0 H GLU A 91 -3.883 5.338 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.207 3.727 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.093 5.035 -7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.359 3.961 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.919 5.773 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.540 6.808 -6.958 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.346 2.119 -4.567 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.504 0.945 -4.377 1.00 0.00 C ATOM 1378 C ILE A 92 -3.921 -0.188 -5.309 1.00 0.00 C ATOM 1379 O ILE A 92 -5.101 -0.348 -5.620 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.557 0.444 -2.922 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.192 1.573 -1.956 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -2.622 -0.742 -2.735 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.835 1.435 -0.594 1.00 0.00 C ATOM 0 H ILE A 92 -5.001 2.296 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.483 1.248 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.574 0.119 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.109 1.602 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.490 2.526 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.671 -1.084 -1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.923 -1.551 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.601 -0.441 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.532 2.270 0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.920 1.437 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.518 0.499 -0.135 1.00 0.00 H new ATOM 1395 N THR A 93 -2.943 -0.974 -5.750 1.00 0.00 N ATOM 1396 CA THR A 93 -3.208 -2.093 -6.645 1.00 0.00 C ATOM 1397 C THR A 93 -2.311 -3.282 -6.320 1.00 0.00 C ATOM 1398 O THR A 93 -1.120 -3.278 -6.633 1.00 0.00 O ATOM 1399 CB THR A 93 -3.000 -1.695 -8.119 1.00 0.00 C ATOM 1400 OG1 THR A 93 -3.653 -0.449 -8.386 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.542 -2.768 -9.051 1.00 0.00 C ATOM 0 H THR A 93 -1.961 -0.856 -5.502 1.00 0.00 H new ATOM 0 HA THR A 93 -4.250 -2.376 -6.496 1.00 0.00 H new ATOM 0 HB THR A 93 -1.930 -1.589 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.515 -0.202 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.384 -2.465 -10.086 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.022 -3.708 -8.865 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.609 -2.901 -8.871 1.00 0.00 H new ATOM 1409 N VAL A 94 -2.889 -4.299 -5.690 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.142 -5.497 -5.324 1.00 0.00 C ATOM 1411 C VAL A 94 -1.930 -6.403 -6.532 1.00 0.00 C ATOM 1412 O VAL A 94 -2.880 -6.750 -7.234 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.862 -6.292 -4.219 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -1.902 -7.262 -3.547 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.479 -5.347 -3.199 1.00 0.00 C ATOM 0 H VAL A 94 -3.873 -4.318 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.174 -5.164 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.665 -6.871 -4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.429 -7.815 -2.769 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.512 -7.960 -4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.076 -6.707 -3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.984 -5.926 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.696 -4.740 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.200 -4.697 -3.695 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.679 -6.783 -6.767 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.342 -7.649 -7.891 1.00 0.00 C ATOM 1427 C ARG A 95 0.380 -8.905 -7.412 1.00 0.00 C ATOM 1428 O ARG A 95 1.146 -8.864 -6.449 1.00 0.00 O ATOM 1429 CB ARG A 95 0.532 -6.898 -8.897 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.260 -6.189 -9.982 1.00 0.00 C ATOM 1431 CD ARG A 95 -0.738 -4.821 -9.520 1.00 0.00 C ATOM 1432 NE ARG A 95 -0.842 -3.875 -10.628 1.00 0.00 N ATOM 1433 CZ ARG A 95 -1.727 -3.990 -11.612 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -2.580 -5.005 -11.625 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -1.761 -3.088 -12.585 1.00 0.00 N ATOM 0 H ARG A 95 0.118 -6.505 -6.195 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.270 -7.948 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.137 -6.165 -8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.221 -7.602 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.359 -6.078 -10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.118 -6.799 -10.265 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -1.710 -4.921 -9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.048 -4.429 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.200 -3.083 -10.647 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -2.558 -5.700 -10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -3.259 -5.091 -12.382 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.107 -2.305 -12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -2.441 -3.178 -13.340 1.00 0.00 H new ATOM 1449 N SER A 96 0.129 -10.020 -8.090 1.00 0.00 N ATOM 1450 CA SER A 96 0.752 -11.289 -7.731 1.00 0.00 C ATOM 1451 C SER A 96 0.389 -12.376 -8.739 1.00 0.00 C ATOM 1452 O SER A 96 -0.760 -12.484 -9.166 1.00 0.00 O ATOM 1453 CB SER A 96 0.318 -11.715 -6.327 1.00 0.00 C ATOM 1454 OG SER A 96 1.254 -12.612 -5.755 1.00 0.00 O ATOM 0 H SER A 96 -0.501 -10.071 -8.891 1.00 0.00 H new ATOM 0 HA SER A 96 1.833 -11.152 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.217 -10.835 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.663 -12.189 -6.374 1.00 0.00 H new ATOM 0 HG SER A 96 0.906 -12.948 -4.903 1.00 0.00 H new ATOM 1460 N VAL A 97 1.379 -13.180 -9.114 1.00 0.00 N ATOM 1461 CA VAL A 97 1.166 -14.260 -10.071 1.00 0.00 C ATOM 1462 C VAL A 97 0.415 -15.422 -9.429 1.00 0.00 C ATOM 1463 O VAL A 97 -0.221 -16.220 -10.118 1.00 0.00 O ATOM 1464 CB VAL A 97 2.500 -14.777 -10.640 1.00 0.00 C ATOM 1465 CG1 VAL A 97 3.239 -15.606 -9.601 1.00 0.00 C ATOM 1466 CG2 VAL A 97 2.261 -15.584 -11.907 1.00 0.00 C ATOM 0 H VAL A 97 2.336 -13.104 -8.770 1.00 0.00 H new ATOM 0 HA VAL A 97 0.568 -13.849 -10.884 1.00 0.00 H new ATOM 0 HB VAL A 97 3.123 -13.920 -10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.179 -15.963 -10.022 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.444 -14.992 -8.724 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.625 -16.459 -9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.214 -15.942 -12.296 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.619 -16.435 -11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.778 -14.954 -12.654 1.00 0.00 H new ATOM 1476 N LEU A 98 0.494 -15.511 -8.106 1.00 0.00 N ATOM 1477 CA LEU A 98 -0.179 -16.576 -7.370 1.00 0.00 C ATOM 1478 C LEU A 98 -1.694 -16.454 -7.498 1.00 0.00 C ATOM 1479 O LEU A 98 -2.391 -17.445 -7.718 1.00 0.00 O ATOM 1480 CB LEU A 98 0.225 -16.537 -5.895 1.00 0.00 C ATOM 1481 CG LEU A 98 1.521 -17.264 -5.535 1.00 0.00 C ATOM 1482 CD1 LEU A 98 2.726 -16.385 -5.829 1.00 0.00 C ATOM 1483 CD2 LEU A 98 1.508 -17.682 -4.071 1.00 0.00 C ATOM 0 H LEU A 98 1.017 -14.859 -7.521 1.00 0.00 H new ATOM 0 HA LEU A 98 0.127 -17.530 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.321 -15.494 -5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.585 -16.967 -5.306 1.00 0.00 H new ATOM 0 HG LEU A 98 1.594 -18.162 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.639 -16.919 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.744 -16.135 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.660 -15.469 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.438 -18.198 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.411 -16.798 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.666 -18.350 -3.891 1.00 0.00 H new ATOM 1495 N LEU A 99 -2.197 -15.232 -7.361 1.00 0.00 N ATOM 1496 CA LEU A 99 -3.630 -14.978 -7.463 1.00 0.00 C ATOM 1497 C LEU A 99 -4.110 -15.143 -8.902 1.00 0.00 C ATOM 1498 O LEU A 99 -3.430 -14.739 -9.844 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.955 -13.570 -6.963 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.541 -13.256 -5.525 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.451 -11.753 -5.312 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.519 -13.879 -4.540 1.00 0.00 C ATOM 0 H LEU A 99 -1.634 -14.401 -7.179 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.149 -15.706 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.472 -12.851 -7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -5.030 -13.413 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.555 -13.687 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.155 -11.548 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.711 -11.333 -5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.423 -11.299 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.208 -13.645 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -5.517 -13.478 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.533 -14.960 -4.676 1.00 0.00 H new ATOM 1514 N SER A 100 -5.288 -15.737 -9.062 1.00 0.00 N ATOM 1515 CA SER A 100 -5.860 -15.957 -10.385 1.00 0.00 C ATOM 1516 C SER A 100 -6.338 -14.643 -10.995 1.00 0.00 C ATOM 1517 O SER A 100 -6.285 -13.593 -10.355 1.00 0.00 O ATOM 1518 CB SER A 100 -7.023 -16.948 -10.304 1.00 0.00 C ATOM 1519 OG SER A 100 -7.304 -17.509 -11.574 1.00 0.00 O ATOM 0 H SER A 100 -5.865 -16.075 -8.292 1.00 0.00 H new ATOM 0 HA SER A 100 -5.082 -16.373 -11.025 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.780 -17.742 -9.598 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.910 -16.442 -9.922 1.00 0.00 H new ATOM 0 HG SER A 100 -8.050 -18.140 -11.495 1.00 0.00 H new ATOM 1525 N ARG A 101 -6.805 -14.710 -12.238 1.00 0.00 N ATOM 1526 CA ARG A 101 -7.292 -13.526 -12.936 1.00 0.00 C ATOM 1527 C ARG A 101 -8.437 -12.874 -12.168 1.00 0.00 C ATOM 1528 O ARG A 101 -8.549 -11.649 -12.120 1.00 0.00 O ATOM 1529 CB ARG A 101 -7.754 -13.894 -14.347 1.00 0.00 C ATOM 1530 CG ARG A 101 -6.653 -14.480 -15.216 1.00 0.00 C ATOM 1531 CD ARG A 101 -7.212 -15.450 -16.245 1.00 0.00 C ATOM 1532 NE ARG A 101 -7.608 -16.719 -15.641 1.00 0.00 N ATOM 1533 CZ ARG A 101 -6.745 -17.659 -15.271 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -5.444 -17.472 -15.442 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -7.183 -18.787 -14.728 1.00 0.00 N ATOM 0 H ARG A 101 -6.856 -15.571 -12.782 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.471 -12.812 -13.004 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.571 -14.612 -14.277 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.153 -13.004 -14.833 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -6.122 -13.675 -15.724 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.926 -14.994 -14.587 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -8.073 -14.999 -16.738 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.463 -15.633 -17.015 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.602 -16.894 -15.495 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.104 -16.605 -15.858 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.783 -18.195 -15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -8.183 -18.934 -14.594 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -6.519 -19.508 -14.444 1.00 0.00 H new ATOM 1549 N SER A 102 -9.287 -13.702 -11.567 1.00 0.00 N ATOM 1550 CA SER A 102 -10.427 -13.206 -10.805 1.00 0.00 C ATOM 1551 C SER A 102 -10.070 -13.059 -9.329 1.00 0.00 C ATOM 1552 O SER A 102 -10.298 -12.010 -8.726 1.00 0.00 O ATOM 1553 CB SER A 102 -11.621 -14.150 -10.960 1.00 0.00 C ATOM 1554 OG SER A 102 -12.806 -13.560 -10.457 1.00 0.00 O ATOM 0 H SER A 102 -9.207 -14.719 -11.593 1.00 0.00 H new ATOM 0 HA SER A 102 -10.695 -12.225 -11.197 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.755 -14.402 -12.012 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.422 -15.082 -10.431 1.00 0.00 H new ATOM 0 HG SER A 102 -13.555 -14.182 -10.569 1.00 0.00 H new ATOM 1560 N GLN A 103 -9.508 -14.117 -8.754 1.00 0.00 N ATOM 1561 CA GLN A 103 -9.120 -14.106 -7.348 1.00 0.00 C ATOM 1562 C GLN A 103 -8.294 -12.867 -7.021 1.00 0.00 C ATOM 1563 O GLN A 103 -8.257 -12.420 -5.875 1.00 0.00 O ATOM 1564 CB GLN A 103 -8.325 -15.368 -7.007 1.00 0.00 C ATOM 1565 CG GLN A 103 -9.150 -16.643 -7.075 1.00 0.00 C ATOM 1566 CD GLN A 103 -9.912 -16.915 -5.794 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -10.481 -16.004 -5.191 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -9.929 -18.173 -5.369 1.00 0.00 N ATOM 0 H GLN A 103 -9.311 -14.992 -9.239 1.00 0.00 H new ATOM 0 HA GLN A 103 -10.029 -14.084 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.482 -15.453 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.910 -15.266 -6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.854 -16.571 -7.904 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -8.492 -17.486 -7.288 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.444 -18.897 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -10.427 -18.415 -4.512 1.00 0.00 H new ATOM 1577 N GLN A 104 -7.633 -12.317 -8.035 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.807 -11.130 -7.854 1.00 0.00 C ATOM 1579 C GLN A 104 -7.672 -9.893 -7.634 1.00 0.00 C ATOM 1580 O GLN A 104 -7.745 -9.362 -6.525 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.900 -10.923 -9.069 1.00 0.00 C ATOM 1582 CG GLN A 104 -5.088 -9.640 -9.010 1.00 0.00 C ATOM 1583 CD GLN A 104 -4.242 -9.541 -7.756 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -3.045 -9.826 -7.777 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.862 -9.135 -6.654 1.00 0.00 N ATOM 0 H GLN A 104 -7.654 -12.675 -8.990 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.188 -11.281 -6.969 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.219 -11.770 -9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.511 -10.915 -9.971 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.441 -9.584 -9.885 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.763 -8.785 -9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.856 -8.909 -6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.344 -9.049 -5.780 1.00 0.00 H new ATOM 1594 N THR A 105 -8.327 -9.438 -8.698 1.00 0.00 N ATOM 1595 CA THR A 105 -9.186 -8.263 -8.621 1.00 0.00 C ATOM 1596 C THR A 105 -10.072 -8.309 -7.382 1.00 0.00 C ATOM 1597 O THR A 105 -10.445 -7.271 -6.836 1.00 0.00 O ATOM 1598 CB THR A 105 -10.077 -8.137 -9.872 1.00 0.00 C ATOM 1599 OG1 THR A 105 -10.618 -6.814 -9.955 1.00 0.00 O ATOM 1600 CG2 THR A 105 -11.209 -9.152 -9.834 1.00 0.00 C ATOM 0 H THR A 105 -8.279 -9.866 -9.623 1.00 0.00 H new ATOM 0 HA THR A 105 -8.530 -7.395 -8.562 1.00 0.00 H new ATOM 0 HB THR A 105 -9.463 -8.334 -10.751 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.182 -6.741 -10.753 1.00 0.00 H new ATOM 0 HG21 THR A 105 -11.825 -9.044 -10.727 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.794 -10.159 -9.799 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.821 -8.981 -8.949 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.405 -9.519 -6.943 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.248 -9.699 -5.767 1.00 0.00 C ATOM 1610 C GLN A 106 -10.559 -9.164 -4.516 1.00 0.00 C ATOM 1611 O GLN A 106 -11.190 -8.529 -3.671 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.592 -11.178 -5.582 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.881 -11.411 -4.810 1.00 0.00 C ATOM 1614 CD GLN A 106 -14.072 -10.720 -5.443 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -14.644 -11.210 -6.417 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.455 -9.575 -4.890 1.00 0.00 N ATOM 0 H GLN A 106 -10.104 -10.388 -7.384 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.168 -9.136 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.675 -11.648 -6.562 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.772 -11.671 -5.060 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.076 -12.482 -4.751 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.758 -11.052 -3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -13.952 -9.205 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.252 -9.066 -5.272 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.261 -9.425 -4.405 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.486 -8.970 -3.256 1.00 0.00 C ATOM 1627 C LEU A 107 -8.328 -7.453 -3.272 1.00 0.00 C ATOM 1628 O LEU A 107 -8.306 -6.810 -2.223 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.109 -9.637 -3.248 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.061 -9.004 -2.332 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -5.012 -10.029 -1.933 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.410 -7.808 -3.012 1.00 0.00 C ATOM 0 H LEU A 107 -8.724 -9.949 -5.096 1.00 0.00 H new ATOM 0 HA LEU A 107 -9.025 -9.251 -2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.234 -10.680 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.721 -9.635 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.560 -8.655 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.275 -9.560 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.491 -10.853 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.517 -10.409 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.667 -7.370 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.925 -8.132 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.171 -7.064 -3.246 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.220 -6.887 -4.470 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.066 -5.445 -4.623 1.00 0.00 C ATOM 1646 C ASN A 108 -9.382 -4.724 -4.343 1.00 0.00 C ATOM 1647 O ASN A 108 -9.452 -3.848 -3.480 1.00 0.00 O ATOM 1648 CB ASN A 108 -7.579 -5.109 -6.034 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.136 -5.516 -6.259 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -5.282 -5.321 -5.394 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -5.856 -6.085 -7.426 1.00 0.00 N ATOM 0 H ASN A 108 -8.236 -7.405 -5.349 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.325 -5.106 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.214 -5.612 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -7.683 -4.038 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -4.902 -6.380 -7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.595 -6.227 -8.114 1.00 0.00 H new ATOM 1658 N THR A 109 -10.424 -5.100 -5.077 1.00 0.00 N ATOM 1659 CA THR A 109 -11.737 -4.490 -4.909 1.00 0.00 C ATOM 1660 C THR A 109 -12.098 -4.361 -3.434 1.00 0.00 C ATOM 1661 O THR A 109 -12.762 -3.406 -3.029 1.00 0.00 O ATOM 1662 CB THR A 109 -12.831 -5.306 -5.624 1.00 0.00 C ATOM 1663 OG1 THR A 109 -12.476 -5.505 -6.997 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.176 -4.600 -5.539 1.00 0.00 C ATOM 0 H THR A 109 -10.384 -5.824 -5.794 1.00 0.00 H new ATOM 0 HA THR A 109 -11.684 -3.497 -5.356 1.00 0.00 H new ATOM 0 HB THR A 109 -12.915 -6.273 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 109 -11.884 -6.283 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 109 -14.932 -5.195 -6.051 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.457 -4.478 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 109 -14.103 -3.621 -6.012 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.657 -5.326 -2.634 1.00 0.00 N ATOM 1673 CA ASP A 110 -11.932 -5.318 -1.202 1.00 0.00 C ATOM 1674 C ASP A 110 -10.965 -4.395 -0.468 1.00 0.00 C ATOM 1675 O ASP A 110 -11.382 -3.514 0.285 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.834 -6.735 -0.635 1.00 0.00 C ATOM 1677 CG ASP A 110 -12.696 -6.926 0.597 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -12.460 -6.223 1.601 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.607 -7.780 0.558 1.00 0.00 O ATOM 0 H ASP A 110 -11.107 -6.124 -2.953 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.945 -4.945 -1.053 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.135 -7.451 -1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.795 -6.952 -0.386 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.672 -4.602 -0.691 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.645 -3.789 -0.050 1.00 0.00 C ATOM 1686 C LEU A 111 -9.112 -2.345 0.107 1.00 0.00 C ATOM 1687 O LEU A 111 -9.155 -1.812 1.216 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.351 -3.832 -0.864 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.342 -2.718 -0.582 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.125 -2.561 0.915 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.024 -3.000 -1.287 1.00 0.00 C ATOM 0 H LEU A 111 -9.310 -5.326 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.458 -4.201 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -6.864 -4.790 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.610 -3.801 -1.922 1.00 0.00 H new ATOM 0 HG LEU A 111 -6.745 -1.783 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.404 -1.764 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.071 -2.311 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.744 -3.495 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.319 -2.197 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.615 -3.945 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.192 -3.060 -2.362 1.00 0.00 H new ATOM 1703 N THR A 112 -9.464 -1.718 -1.011 1.00 0.00 N ATOM 1704 CA THR A 112 -9.930 -0.337 -0.998 1.00 0.00 C ATOM 1705 C THR A 112 -11.181 -0.186 -0.140 1.00 0.00 C ATOM 1706 O THR A 112 -11.253 0.691 0.720 1.00 0.00 O ATOM 1707 CB THR A 112 -10.234 0.167 -2.422 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.039 0.157 -3.211 1.00 0.00 O ATOM 1709 CG2 THR A 112 -10.812 1.573 -2.386 1.00 0.00 C ATOM 0 H THR A 112 -9.435 -2.145 -1.937 1.00 0.00 H new ATOM 0 HA THR A 112 -9.126 0.263 -0.572 1.00 0.00 H new ATOM 0 HB THR A 112 -10.970 -0.500 -2.870 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.241 0.477 -4.115 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.019 1.908 -3.403 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.737 1.571 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.095 2.249 -1.920 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.164 -1.048 -0.380 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.411 -1.012 0.373 1.00 0.00 C ATOM 1719 C ALA A 113 -13.146 -0.856 1.867 1.00 0.00 C ATOM 1720 O ALA A 113 -13.624 0.087 2.498 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.225 -2.270 0.108 1.00 0.00 C ATOM 0 H ALA A 113 -12.120 -1.779 -1.090 1.00 0.00 H new ATOM 0 HA ALA A 113 -13.983 -0.146 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.154 -2.229 0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.454 -2.338 -0.956 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.651 -3.145 0.412 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.383 -1.788 2.428 1.00 0.00 N ATOM 1728 CA PHE A 114 -12.056 -1.755 3.849 1.00 0.00 C ATOM 1729 C PHE A 114 -11.911 -0.318 4.340 1.00 0.00 C ATOM 1730 O PHE A 114 -12.520 0.074 5.337 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.763 -2.530 4.114 1.00 0.00 C ATOM 1732 CG PHE A 114 -10.474 -2.732 5.574 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -11.383 -3.388 6.389 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -9.295 -2.265 6.132 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -11.120 -3.576 7.733 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -9.027 -2.450 7.475 1.00 0.00 C ATOM 1737 CZ PHE A 114 -9.941 -3.105 8.277 1.00 0.00 C ATOM 0 H PHE A 114 -11.979 -2.575 1.921 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.873 -2.226 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.825 -3.503 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.929 -1.997 3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -12.307 -3.757 5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.577 -1.751 5.510 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -11.836 -4.091 8.357 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.103 -2.083 7.897 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.734 -3.249 9.327 1.00 0.00 H new ATOM 1747 N LEU A 115 -11.100 0.463 3.635 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.874 1.858 3.999 1.00 0.00 C ATOM 1749 C LEU A 115 -12.141 2.684 3.802 1.00 0.00 C ATOM 1750 O LEU A 115 -12.607 3.352 4.725 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.734 2.444 3.165 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.478 1.580 3.043 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.664 1.990 1.826 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.637 1.681 4.308 1.00 0.00 C ATOM 0 H LEU A 115 -10.588 0.155 2.808 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.600 1.894 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.111 2.646 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.450 3.403 3.598 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.785 0.542 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.774 1.364 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.267 1.866 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.366 3.034 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.747 1.060 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.340 2.718 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.221 1.338 5.162 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.693 2.633 2.594 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.907 3.376 2.278 1.00 0.00 C ATOM 1768 C GLN A 116 -14.973 3.158 3.346 1.00 0.00 C ATOM 1769 O GLN A 116 -15.895 3.961 3.492 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.446 2.955 0.909 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.363 2.777 -0.142 1.00 0.00 C ATOM 1772 CD GLN A 116 -13.856 3.077 -1.544 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -15.023 2.854 -1.865 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -12.966 3.587 -2.388 1.00 0.00 N ATOM 0 H GLN A 116 -12.319 2.085 1.819 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.657 4.437 2.252 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.994 2.019 1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.158 3.704 0.562 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -12.524 3.432 0.092 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.989 1.754 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -12.009 3.756 -2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -13.240 3.810 -3.345 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.842 2.065 4.091 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.793 1.740 5.147 1.00 0.00 C ATOM 1785 C LYS A 117 -15.535 2.585 6.391 1.00 0.00 C ATOM 1786 O LYS A 117 -16.362 3.413 6.774 1.00 0.00 O ATOM 1787 CB LYS A 117 -15.707 0.254 5.501 1.00 0.00 C ATOM 1788 CG LYS A 117 -16.694 -0.611 4.737 1.00 0.00 C ATOM 1789 CD LYS A 117 -16.101 -1.117 3.433 1.00 0.00 C ATOM 1790 CE LYS A 117 -16.366 -0.151 2.288 1.00 0.00 C ATOM 1791 NZ LYS A 117 -17.752 -0.283 1.761 1.00 0.00 N ATOM 0 H LYS A 117 -14.086 1.389 3.982 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.795 1.962 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -14.696 -0.101 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -15.882 0.133 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -16.991 -1.458 5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -17.597 -0.037 4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -15.026 -1.257 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -16.525 -2.092 3.193 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -16.203 0.871 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -15.653 -0.336 1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -17.893 0.392 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -17.900 -1.251 1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -18.433 -0.082 2.521 1.00 0.00 H new ATOM 1805 N HIS A 118 -14.382 2.371 7.017 1.00 0.00 N ATOM 1806 CA HIS A 118 -14.014 3.115 8.216 1.00 0.00 C ATOM 1807 C HIS A 118 -12.976 4.186 7.894 1.00 0.00 C ATOM 1808 O HIS A 118 -13.237 5.381 8.040 1.00 0.00 O ATOM 1809 CB HIS A 118 -13.470 2.166 9.284 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.490 1.165 8.752 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -11.159 1.150 9.112 1.00 0.00 N ATOM 1812 CD2 HIS A 118 -12.656 0.139 7.884 1.00 0.00 C ATOM 1813 CE1 HIS A 118 -10.548 0.160 8.487 1.00 0.00 C ATOM 1814 NE2 HIS A 118 -11.434 -0.469 7.736 1.00 0.00 N ATOM 0 H HIS A 118 -13.687 1.689 6.714 1.00 0.00 H new ATOM 0 HA HIS A 118 -14.909 3.605 8.598 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -12.990 2.751 10.068 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -14.303 1.637 9.746 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -13.577 -0.147 7.399 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -9.502 -0.092 8.575 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.241 -1.276 7.142 1.00 0.00 H new ATOM 1823 N CYS A 119 -11.799 3.750 7.457 1.00 0.00 N ATOM 1824 CA CYS A 119 -10.721 4.672 7.117 1.00 0.00 C ATOM 1825 C CYS A 119 -11.044 5.437 5.838 1.00 0.00 C ATOM 1826 O CYS A 119 -10.817 4.944 4.732 1.00 0.00 O ATOM 1827 CB CYS A 119 -9.405 3.911 6.951 1.00 0.00 C ATOM 1828 SG CYS A 119 -8.772 3.188 8.483 1.00 0.00 S ATOM 0 H CYS A 119 -11.567 2.765 7.330 1.00 0.00 H new ATOM 0 HA CYS A 119 -10.618 5.389 7.932 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -9.547 3.116 6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -8.654 4.589 6.544 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.686 2.433 9.017 1.00 0.00 H new ATOM 1834 N HIS A 120 -11.578 6.645 5.995 1.00 0.00 N ATOM 1835 CA HIS A 120 -11.934 7.479 4.853 1.00 0.00 C ATOM 1836 C HIS A 120 -11.952 8.954 5.242 1.00 0.00 C ATOM 1837 O HIS A 120 -12.867 9.415 5.923 1.00 0.00 O ATOM 1838 CB HIS A 120 -13.299 7.067 4.300 1.00 0.00 C ATOM 1839 CG HIS A 120 -14.016 8.175 3.592 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -15.365 8.418 3.746 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -13.565 9.108 2.722 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -15.712 9.452 3.001 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -14.638 9.890 2.369 1.00 0.00 N ATOM 0 H HIS A 120 -11.773 7.068 6.903 1.00 0.00 H new ATOM 0 HA HIS A 120 -11.179 7.335 4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -13.166 6.232 3.611 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -13.921 6.708 5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -12.550 9.218 2.370 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -16.705 9.869 2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.610 10.680 1.724 1.00 0.00 H new ATOM 1852 N GLY A 121 -10.935 9.689 4.804 1.00 0.00 N ATOM 1853 CA GLY A 121 -10.853 11.104 5.117 1.00 0.00 C ATOM 1854 C GLY A 121 -9.446 11.539 5.472 1.00 0.00 C ATOM 1855 O GLY A 121 -9.059 12.681 5.220 1.00 0.00 O ATOM 0 H GLY A 121 -10.166 9.330 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.204 11.683 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.520 11.328 5.949 1.00 0.00 H new ATOM 1859 N ASP A 122 -8.677 10.629 6.060 1.00 0.00 N ATOM 1860 CA ASP A 122 -7.304 10.925 6.451 1.00 0.00 C ATOM 1861 C ASP A 122 -6.327 9.975 5.766 1.00 0.00 C ATOM 1862 O ASP A 122 -6.731 8.980 5.164 1.00 0.00 O ATOM 1863 CB ASP A 122 -7.151 10.826 7.970 1.00 0.00 C ATOM 1864 CG ASP A 122 -8.416 11.222 8.706 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -8.960 12.306 8.409 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -8.860 10.449 9.580 1.00 0.00 O ATOM 0 H ASP A 122 -8.982 9.680 6.276 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.074 11.943 6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.882 9.805 8.239 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.331 11.467 8.292 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.039 10.289 5.861 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.003 9.463 5.251 1.00 0.00 C ATOM 1873 C VAL A 123 -3.955 8.080 5.892 1.00 0.00 C ATOM 1874 O VAL A 123 -3.424 7.913 6.990 1.00 0.00 O ATOM 1875 CB VAL A 123 -2.617 10.122 5.371 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -2.578 11.430 4.596 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -2.259 10.347 6.832 1.00 0.00 C ATOM 0 H VAL A 123 -4.688 11.110 6.355 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.258 9.362 4.196 1.00 0.00 H new ATOM 0 HB VAL A 123 -1.876 9.450 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -1.590 11.881 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -2.787 11.236 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -3.329 12.112 4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.276 10.814 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -3.002 10.999 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.242 9.390 7.354 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.510 7.093 5.198 1.00 0.00 N ATOM 1888 CA CYS A 124 -4.530 5.723 5.699 1.00 0.00 C ATOM 1889 C CYS A 124 -3.937 4.761 4.676 1.00 0.00 C ATOM 1890 O CYS A 124 -4.666 4.095 3.941 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.961 5.305 6.042 1.00 0.00 C ATOM 1892 SG CYS A 124 -7.115 5.416 4.655 1.00 0.00 S ATOM 0 H CYS A 124 -4.952 7.215 4.287 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.921 5.683 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -5.950 4.279 6.410 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -6.326 5.932 6.856 1.00 0.00 H new ATOM 0 HG CYS A 124 -6.545 4.962 3.579 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.611 4.695 4.633 1.00 0.00 N ATOM 1899 CA ILE A 125 -1.920 3.814 3.699 1.00 0.00 C ATOM 1900 C ILE A 125 -1.659 2.448 4.323 1.00 0.00 C ATOM 1901 O ILE A 125 -2.080 1.419 3.791 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.581 4.421 3.239 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -0.828 5.648 2.359 1.00 0.00 C ATOM 1904 CG2 ILE A 125 0.241 3.382 2.491 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -1.314 5.307 0.968 1.00 0.00 C ATOM 0 H ILE A 125 -1.993 5.241 5.234 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.572 3.696 2.834 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.020 4.736 4.119 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.563 6.291 2.844 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.096 6.221 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.184 3.825 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.441 2.535 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.313 3.040 1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.468 6.225 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -0.570 4.690 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.255 4.760 1.035 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.963 2.443 5.454 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.646 1.202 6.153 1.00 0.00 C ATOM 1919 C LEU A 126 -1.898 0.353 6.349 1.00 0.00 C ATOM 1920 O LEU A 126 -1.930 -0.818 5.974 1.00 0.00 O ATOM 1921 CB LEU A 126 -0.006 1.507 7.509 1.00 0.00 C ATOM 1922 CG LEU A 126 1.509 1.711 7.504 1.00 0.00 C ATOM 1923 CD1 LEU A 126 1.954 2.434 8.766 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.227 0.376 7.371 1.00 0.00 C ATOM 0 H LEU A 126 -0.607 3.285 5.907 1.00 0.00 H new ATOM 0 HA LEU A 126 0.061 0.640 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.472 2.405 7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.240 0.690 8.191 1.00 0.00 H new ATOM 0 HG LEU A 126 1.770 2.328 6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.035 2.570 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.466 3.407 8.819 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.680 1.843 9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.304 0.541 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.960 -0.266 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.932 -0.104 6.438 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.928 0.953 6.936 1.00 0.00 N ATOM 1937 CA ASN A 127 -4.184 0.252 7.180 1.00 0.00 C ATOM 1938 C ASN A 127 -4.525 -0.673 6.015 1.00 0.00 C ATOM 1939 O ASN A 127 -5.142 -1.721 6.202 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.318 1.255 7.398 1.00 0.00 C ATOM 1941 CG ASN A 127 -5.019 2.231 8.520 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -4.132 3.077 8.401 1.00 0.00 O ATOM 1943 ND2 ASN A 127 -5.760 2.117 9.616 1.00 0.00 N ATOM 0 H ASN A 127 -2.918 1.923 7.252 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.065 -0.353 8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -5.492 1.809 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -6.238 0.716 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.605 2.746 10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.484 1.401 9.670 1.00 0.00 H new ATOM 1950 N ALA A 128 -4.118 -0.278 4.814 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.378 -1.072 3.619 1.00 0.00 C ATOM 1952 C ALA A 128 -3.411 -2.247 3.520 1.00 0.00 C ATOM 1953 O ALA A 128 -3.807 -3.364 3.186 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.283 -0.201 2.375 1.00 0.00 C ATOM 0 H ALA A 128 -3.607 0.588 4.642 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.389 -1.472 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.479 -0.807 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.018 0.601 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.283 0.228 2.306 1.00 0.00 H new ATOM 1960 N THR A 129 -2.140 -1.987 3.812 1.00 0.00 N ATOM 1961 CA THR A 129 -1.116 -3.023 3.754 1.00 0.00 C ATOM 1962 C THR A 129 -1.361 -4.098 4.806 1.00 0.00 C ATOM 1963 O THR A 129 -1.268 -5.291 4.520 1.00 0.00 O ATOM 1964 CB THR A 129 0.292 -2.433 3.957 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.307 -1.590 5.115 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.726 -1.634 2.737 1.00 0.00 C ATOM 0 H THR A 129 -1.796 -1.068 4.091 1.00 0.00 H new ATOM 0 HA THR A 129 -1.175 -3.470 2.762 1.00 0.00 H new ATOM 0 HB THR A 129 0.990 -3.258 4.098 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.607 -1.482 5.453 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.723 -1.227 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.741 -2.285 1.863 1.00 0.00 H new ATOM 0 HG23 THR A 129 0.025 -0.817 2.569 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.675 -3.667 6.024 1.00 0.00 N ATOM 1975 CA GLU A 130 -1.934 -4.595 7.118 1.00 0.00 C ATOM 1976 C GLU A 130 -3.161 -5.454 6.825 1.00 0.00 C ATOM 1977 O GLU A 130 -3.384 -6.477 7.473 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.134 -3.830 8.428 1.00 0.00 C ATOM 1979 CG GLU A 130 -0.905 -3.058 8.876 1.00 0.00 C ATOM 1980 CD GLU A 130 0.065 -3.913 9.668 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -0.322 -4.402 10.750 1.00 0.00 O ATOM 1982 OE2 GLU A 130 1.211 -4.094 9.206 1.00 0.00 O ATOM 0 H GLU A 130 -1.756 -2.682 6.277 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.069 -5.251 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -2.966 -3.135 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.416 -4.534 9.211 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.396 -2.653 8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.216 -2.209 9.485 1.00 0.00 H new ATOM 1989 N TRP A 131 -3.952 -5.031 5.846 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.156 -5.761 5.468 1.00 0.00 C ATOM 1991 C TRP A 131 -4.874 -6.715 4.313 1.00 0.00 C ATOM 1992 O TRP A 131 -5.551 -7.731 4.154 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.268 -4.784 5.079 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.527 -5.464 4.634 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.697 -5.559 5.332 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.741 -6.145 3.393 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.626 -6.259 4.599 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.064 -6.628 3.406 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -6.945 -6.392 2.271 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.605 -7.344 2.341 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.483 -7.103 1.216 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -8.803 -7.571 1.256 1.00 0.00 C ATOM 0 H TRP A 131 -3.781 -4.187 5.300 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.481 -6.347 6.328 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.492 -4.142 5.931 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -5.910 -4.138 4.278 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -8.867 -5.145 6.315 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.579 -6.469 4.896 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -5.927 -6.033 2.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.622 -7.707 2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -6.876 -7.302 0.345 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.195 -8.122 0.414 1.00 0.00 H new ATOM 2013 N VAL A 132 -3.869 -6.383 3.508 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.497 -7.213 2.368 1.00 0.00 C ATOM 2015 C VAL A 132 -2.649 -8.401 2.807 1.00 0.00 C ATOM 2016 O VAL A 132 -2.888 -9.535 2.390 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.719 -6.402 1.315 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -1.974 -7.331 0.369 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.660 -5.487 0.545 1.00 0.00 C ATOM 0 H VAL A 132 -3.298 -5.546 3.624 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.424 -7.577 1.924 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.985 -5.781 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.430 -6.740 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.270 -7.940 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.687 -7.980 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.093 -4.922 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.418 -6.086 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.143 -4.797 1.237 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.658 -8.134 3.651 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.773 -9.182 4.146 1.00 0.00 C ATOM 2031 C ARG A 133 -1.573 -10.304 4.802 1.00 0.00 C ATOM 2032 O ARG A 133 -1.149 -11.459 4.808 1.00 0.00 O ATOM 2033 CB ARG A 133 0.228 -8.602 5.147 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.425 -7.968 6.364 1.00 0.00 C ATOM 2035 CD ARG A 133 0.610 -7.548 7.396 1.00 0.00 C ATOM 2036 NE ARG A 133 1.386 -8.685 7.885 1.00 0.00 N ATOM 2037 CZ ARG A 133 0.880 -9.647 8.647 1.00 0.00 C ATOM 2038 NH1 ARG A 133 -0.397 -9.612 9.005 1.00 0.00 N ATOM 2039 NH2 ARG A 133 1.650 -10.649 9.053 1.00 0.00 N ATOM 0 H ARG A 133 -1.448 -7.201 4.006 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.229 -9.596 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.899 -9.395 5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.841 -7.854 4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.006 -7.099 6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.123 -8.675 6.813 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.283 -6.812 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.110 -7.062 8.234 1.00 0.00 H new ATOM 0 HE ARG A 133 2.371 -8.743 7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.993 -8.844 8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -0.783 -10.353 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 133 2.632 -10.681 8.780 1.00 0.00 H new ATOM 0 HH22 ARG A 133 1.260 -11.387 9.638 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.731 -9.954 5.354 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.588 -10.931 6.014 1.00 0.00 C ATOM 2055 C GLU A 134 -4.534 -11.589 5.012 1.00 0.00 C ATOM 2056 O GLU A 134 -4.455 -12.793 4.766 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.394 -10.265 7.131 1.00 0.00 C ATOM 2058 CG GLU A 134 -5.524 -11.129 7.665 1.00 0.00 C ATOM 2059 CD GLU A 134 -5.022 -12.338 8.430 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -4.303 -13.164 7.828 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -5.346 -12.459 9.629 1.00 0.00 O ATOM 0 H GLU A 134 -3.096 -9.002 5.357 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.950 -11.702 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.722 -10.013 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.809 -9.328 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -6.158 -10.529 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -6.146 -11.462 6.834 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.428 -10.790 4.439 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.389 -11.294 3.465 1.00 0.00 C ATOM 2070 C HIS A 135 -5.681 -12.041 2.339 1.00 0.00 C ATOM 2071 O HIS A 135 -6.088 -13.137 1.956 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.214 -10.143 2.889 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.442 -9.828 3.686 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.675 -10.387 3.422 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.623 -9.008 4.748 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.561 -9.923 4.285 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -9.947 -9.085 5.101 1.00 0.00 N ATOM 0 H HIS A 135 -5.507 -9.792 4.632 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.055 -11.989 3.975 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.589 -9.252 2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.507 -10.392 1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.866 -8.405 5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.608 -10.184 4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.386 -8.577 5.869 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.619 -11.439 1.812 1.00 0.00 N ATOM 2087 CA ALA A 136 -3.854 -12.048 0.732 1.00 0.00 C ATOM 2088 C ALA A 136 -3.826 -13.567 0.866 1.00 0.00 C ATOM 2089 O ALA A 136 -4.460 -14.280 0.088 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.437 -11.492 0.710 1.00 0.00 C ATOM 0 H ALA A 136 -4.270 -10.530 2.116 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.344 -11.802 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -1.877 -11.956 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.472 -10.413 0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.947 -11.708 1.659 1.00 0.00 H new ATOM 2096 N SER A 137 -3.087 -14.055 1.857 1.00 0.00 N ATOM 2097 CA SER A 137 -2.974 -15.490 2.091 1.00 0.00 C ATOM 2098 C SER A 137 -4.330 -16.173 1.947 1.00 0.00 C ATOM 2099 O SER A 137 -4.431 -17.269 1.397 1.00 0.00 O ATOM 2100 CB SER A 137 -2.400 -15.758 3.484 1.00 0.00 C ATOM 2101 OG SER A 137 -3.418 -15.722 4.469 1.00 0.00 O ATOM 0 H SER A 137 -2.558 -13.478 2.511 1.00 0.00 H new ATOM 0 HA SER A 137 -2.298 -15.903 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 137 -1.910 -16.732 3.498 1.00 0.00 H new ATOM 0 HB3 SER A 137 -1.638 -15.014 3.716 1.00 0.00 H new ATOM 0 HG SER A 137 -3.746 -14.804 4.567 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.373 -15.516 2.447 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.710 -16.073 2.365 1.00 0.00 C ATOM 2109 C GLY A 138 -7.129 -16.368 0.938 1.00 0.00 C ATOM 2110 O GLY A 138 -7.613 -17.460 0.639 1.00 0.00 O ATOM 0 H GLY A 138 -5.315 -14.608 2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.754 -16.991 2.951 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.419 -15.376 2.812 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.944 -15.392 0.056 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.311 -15.551 -1.347 1.00 0.00 C ATOM 2116 C TYR A 139 -6.479 -16.646 -2.006 1.00 0.00 C ATOM 2117 O TYR A 139 -7.013 -17.527 -2.681 1.00 0.00 O ATOM 2118 CB TYR A 139 -7.123 -14.231 -2.097 1.00 0.00 C ATOM 2119 CG TYR A 139 -8.156 -13.184 -1.747 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.431 -13.226 -2.298 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.857 -12.151 -0.867 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.378 -12.271 -1.982 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.798 -11.192 -0.545 1.00 0.00 C ATOM 2124 CZ TYR A 139 -10.057 -11.257 -1.105 1.00 0.00 C ATOM 2125 OH TYR A 139 -10.997 -10.303 -0.787 1.00 0.00 O ATOM 0 H TYR A 139 -6.543 -14.483 0.287 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.361 -15.841 -1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -6.130 -13.837 -1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.161 -14.423 -3.169 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.686 -14.019 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -6.872 -12.097 -0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.364 -12.319 -2.420 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.549 -10.396 0.141 1.00 0.00 H new ATOM 0 HH TYR A 139 -10.611 -9.661 -0.156 1.00 0.00 H new ATOM 2135 N VAL A 140 -5.166 -16.586 -1.806 1.00 0.00 N ATOM 2136 CA VAL A 140 -4.259 -17.573 -2.379 1.00 0.00 C ATOM 2137 C VAL A 140 -4.508 -18.956 -1.788 1.00 0.00 C ATOM 2138 O VAL A 140 -4.316 -19.175 -0.592 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.787 -17.184 -2.146 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -1.860 -18.118 -2.909 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.548 -15.737 -2.548 1.00 0.00 C ATOM 0 H VAL A 140 -4.707 -15.864 -1.251 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.455 -17.599 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 140 -2.568 -17.282 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -0.824 -17.827 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -2.013 -19.142 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -2.077 -18.055 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.503 -15.480 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -2.785 -15.609 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -3.185 -15.084 -1.952 1.00 0.00 H new