USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 902 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 8 GLN : amide:sc= -1.49! K(o=-1.2!,f=0.75) USER MOD Set 1.2: B 58 THR OG1 : rot -13:sc= 0.298 USER MOD Set 2.1: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 35 LYS NZ :NH3+ -167:sc= -0.0218 (180deg=-0.21) USER MOD Set 3.1: A 58 THR OG1 : rot -30:sc= 0.365 USER MOD Set 3.2: B 8 GLN : amide:sc= -1.92! K(o=-1.6!,f=1) USER MOD Set 4.1: A 54 THR OG1 : rot 160:sc= 0.505 USER MOD Set 4.2: B 46 LYS NZ :NH3+ -171:sc= 1.73 (180deg=0.942) USER MOD Set 5.1: A 48 ASN : amide:sc= 1.04 K(o=0.97,f=-0.78) USER MOD Set 5.2: B 1 MET CE :methyl -165:sc= -0.0792 (180deg=-0.393) USER MOD Set 6.1: A 46 LYS NZ :NH3+ -145:sc= 1.21 (180deg=-0.0144) USER MOD Set 6.2: B 54 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 35 LYS NZ :NH3+ -178:sc= -0.262 (180deg=-0.208) USER MOD Set 7.2: B 59 THR OG1 : rot -58:sc= 0.634 USER MOD Set 8.1: A 19 LYS NZ :NH3+ -157:sc= 1.99 (180deg=0.528) USER MOD Set 8.2: A 25 THR OG1 : rot 160:sc= 0.96 USER MOD Set 9.1: A 2 TYR OH : rot 180:sc= -1.15 USER MOD Set 9.2: B 48 ASN : amide:sc=-0.00411 K(o=-1.2,f=-1.7) USER MOD Single : A 1 MET CE :methyl -168:sc= -0.0316 (180deg=-0.205) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0921 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0137) USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -168:sc= -0.0318 (180deg=-0.209) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 26 MET CE :methyl -161:sc= -5.87! (180deg=-7.39!) USER MOD Single : A 28 SER OG : rot 180:sc= -0.444 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 35:sc= 0.501 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0148 (180deg=-0.165) USER MOD Single : A 37 SER OG : rot -130:sc=-0.00288 USER MOD Single : A 40 HIS : no HD1:sc= -0.316 X(o=-0.32,f=0.074) USER MOD Single : A 44 SER OG : rot -120:sc= -0.353 USER MOD Single : A 49 SER OG : rot 89:sc= -0.206 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot -140:sc= -0.806 USER MOD Single : B 3 LYS NZ :NH3+ -140:sc= -0.34 (180deg=-1.69) USER MOD Single : B 7 TYR OH : rot 15:sc= 0.479 USER MOD Single : B 10 LYS NZ :NH3+ -157:sc= 0.768 (180deg=0.48) USER MOD Single : B 19 LYS NZ :NH3+ -161:sc= 0.349 (180deg=0.0929) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= -0.449 K(o=-0.45,f=-5.3!) USER MOD Single : B 25 THR OG1 : rot 100:sc= 0.38 USER MOD Single : B 26 MET CE :methyl -159:sc= -5.91! (180deg=-7.37!) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -53:sc= 0.152 USER MOD Single : B 32 TYR OH : rot 31:sc= 0.185 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -140:sc= 0 USER MOD Single : B 40 HIS : no HE2:sc= 0.0556 K(o=0.056,f=-1.1) USER MOD Single : B 44 SER OG : rot -120:sc= -0.488 USER MOD Single : B 49 SER OG : rot 90:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.140 8.576 10.731 1.00 0.00 N ATOM 2 CA MET A 1 -11.385 8.644 9.455 1.00 0.00 C ATOM 3 C MET A 1 -10.660 7.307 9.223 1.00 0.00 C ATOM 4 O MET A 1 -10.426 6.545 10.173 1.00 0.00 O ATOM 5 CB MET A 1 -10.372 9.840 9.470 1.00 0.00 C ATOM 6 CG MET A 1 -9.693 10.139 8.115 1.00 0.00 C ATOM 7 SD MET A 1 -8.439 11.443 8.196 1.00 0.00 S ATOM 8 CE MET A 1 -9.389 12.860 8.749 1.00 0.00 C ATOM 0 H1 MET A 1 -13.160 8.622 10.534 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.921 7.683 11.217 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.869 9.376 11.338 1.00 0.00 H new ATOM 0 HA MET A 1 -12.081 8.817 8.634 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.896 10.736 9.802 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.598 9.631 10.209 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.230 9.225 7.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.457 10.427 7.393 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.792 13.765 8.635 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.296 12.946 8.151 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.657 12.731 9.798 1.00 0.00 H new ATOM 18 N TYR A 2 -10.331 7.011 7.949 1.00 0.00 N ATOM 19 CA TYR A 2 -9.489 5.861 7.587 1.00 0.00 C ATOM 20 C TYR A 2 -8.040 6.029 8.102 1.00 0.00 C ATOM 21 O TYR A 2 -7.615 7.131 8.485 1.00 0.00 O ATOM 22 CB TYR A 2 -9.516 5.589 6.055 1.00 0.00 C ATOM 23 CG TYR A 2 -9.527 6.834 5.144 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.553 7.832 5.237 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.528 7.004 4.186 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.591 8.943 4.418 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.566 8.105 3.368 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.600 9.073 3.487 1.00 0.00 C ATOM 29 OH TYR A 2 -9.642 10.177 2.672 1.00 0.00 O ATOM 0 H TYR A 2 -10.642 7.562 7.149 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.912 4.987 8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.646 4.984 5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.398 4.990 5.828 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.758 7.733 5.961 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.293 6.248 4.086 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.833 9.707 4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.352 8.209 2.634 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.415 10.112 2.073 1.00 0.00 H new ATOM 39 N LYS A 3 -7.281 4.927 8.037 1.00 0.00 N ATOM 40 CA LYS A 3 -5.955 4.829 8.651 1.00 0.00 C ATOM 41 C LYS A 3 -5.162 3.650 8.074 1.00 0.00 C ATOM 42 O LYS A 3 -5.664 2.885 7.234 1.00 0.00 O ATOM 43 CB LYS A 3 -6.056 4.772 10.223 1.00 0.00 C ATOM 44 CG LYS A 3 -7.094 3.805 10.854 1.00 0.00 C ATOM 45 CD LYS A 3 -6.768 2.306 10.656 1.00 0.00 C ATOM 46 CE LYS A 3 -7.626 1.389 11.548 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.076 1.572 11.321 1.00 0.00 N ATOM 0 H LYS A 3 -7.573 4.077 7.555 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.400 5.734 8.404 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.073 4.505 10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.277 5.778 10.580 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.164 4.012 11.922 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.074 4.012 10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.924 2.039 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.714 2.136 10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.360 0.349 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.398 1.589 12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.606 0.875 11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.354 2.532 11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.289 1.438 10.312 1.00 0.00 H new ATOM 61 N PHE A 4 -3.925 3.514 8.561 1.00 0.00 N ATOM 62 CA PHE A 4 -3.011 2.442 8.177 1.00 0.00 C ATOM 63 C PHE A 4 -3.050 1.356 9.245 1.00 0.00 C ATOM 64 O PHE A 4 -2.793 1.631 10.412 1.00 0.00 O ATOM 65 CB PHE A 4 -1.572 2.987 8.023 1.00 0.00 C ATOM 66 CG PHE A 4 -1.414 3.953 6.855 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.706 5.312 7.003 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.979 3.501 5.610 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.566 6.182 5.944 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.840 4.372 4.555 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.133 5.708 4.722 1.00 0.00 C ATOM 0 H PHE A 4 -3.527 4.158 9.244 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.321 2.027 7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.282 3.492 8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.887 2.150 7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.045 5.684 7.958 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.749 2.455 5.473 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.794 7.230 6.069 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.501 4.009 3.596 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.023 6.389 3.891 1.00 0.00 H new ATOM 81 N GLU A 5 -3.397 0.139 8.837 1.00 0.00 N ATOM 82 CA GLU A 5 -3.357 -1.031 9.713 1.00 0.00 C ATOM 83 C GLU A 5 -2.034 -1.758 9.491 1.00 0.00 C ATOM 84 O GLU A 5 -1.816 -2.336 8.421 1.00 0.00 O ATOM 85 CB GLU A 5 -4.567 -1.972 9.472 1.00 0.00 C ATOM 86 CG GLU A 5 -5.885 -1.422 10.042 1.00 0.00 C ATOM 87 CD GLU A 5 -7.012 -2.457 10.078 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.034 -3.298 11.000 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.876 -2.451 9.185 1.00 0.00 O ATOM 0 H GLU A 5 -3.714 -0.066 7.889 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.426 -0.705 10.751 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.683 -2.137 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.360 -2.942 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.709 -1.053 11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.204 -0.570 9.442 1.00 0.00 H new ATOM 96 N ILE A 6 -1.160 -1.707 10.511 1.00 0.00 N ATOM 97 CA ILE A 6 0.173 -2.317 10.477 1.00 0.00 C ATOM 98 C ILE A 6 0.109 -3.623 11.241 1.00 0.00 C ATOM 99 O ILE A 6 -0.221 -3.643 12.425 1.00 0.00 O ATOM 100 CB ILE A 6 1.256 -1.424 11.171 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.158 0.037 10.665 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.684 -2.016 10.957 1.00 0.00 C ATOM 103 CD1 ILE A 6 1.926 1.030 11.505 1.00 0.00 C ATOM 0 H ILE A 6 -1.366 -1.234 11.391 1.00 0.00 H new ATOM 0 HA ILE A 6 0.453 -2.450 9.432 1.00 0.00 H new ATOM 0 HB ILE A 6 1.066 -1.416 12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.527 0.081 9.640 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.109 0.332 10.639 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.419 -1.379 11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.730 -3.018 11.383 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.901 -2.065 9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.808 2.029 11.086 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.543 1.017 12.525 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.982 0.762 11.511 1.00 0.00 H new ATOM 115 N TYR A 7 0.446 -4.697 10.579 1.00 0.00 N ATOM 116 CA TYR A 7 0.436 -6.016 11.184 1.00 0.00 C ATOM 117 C TYR A 7 1.611 -6.838 10.652 1.00 0.00 C ATOM 118 O TYR A 7 2.452 -6.337 9.911 1.00 0.00 O ATOM 119 CB TYR A 7 -0.947 -6.689 10.953 1.00 0.00 C ATOM 120 CG TYR A 7 -1.417 -6.703 9.488 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.090 -7.750 8.622 1.00 0.00 C ATOM 122 CD2 TYR A 7 -2.174 -5.645 8.972 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.501 -7.733 7.299 1.00 0.00 C ATOM 124 CE2 TYR A 7 -2.585 -5.628 7.657 1.00 0.00 C ATOM 125 CZ TYR A 7 -2.248 -6.669 6.824 1.00 0.00 C ATOM 126 OH TYR A 7 -2.655 -6.647 5.503 1.00 0.00 O ATOM 0 H TYR A 7 0.737 -4.689 9.601 1.00 0.00 H new ATOM 0 HA TYR A 7 0.571 -5.944 12.263 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.902 -7.716 11.316 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.693 -6.171 11.555 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.509 -8.583 8.989 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.442 -4.823 9.619 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.239 -8.548 6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.169 -4.801 7.282 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.776 -7.565 5.183 1.00 0.00 H new ATOM 136 N GLN A 8 1.690 -8.077 11.108 1.00 0.00 N ATOM 137 CA GLN A 8 2.559 -9.096 10.504 1.00 0.00 C ATOM 138 C GLN A 8 1.684 -10.276 10.072 1.00 0.00 C ATOM 139 O GLN A 8 0.623 -10.537 10.661 1.00 0.00 O ATOM 140 CB GLN A 8 3.707 -9.543 11.464 1.00 0.00 C ATOM 141 CG GLN A 8 3.352 -10.609 12.514 1.00 0.00 C ATOM 142 CD GLN A 8 4.404 -10.712 13.629 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.290 -10.075 14.680 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.456 -11.479 13.387 1.00 0.00 N ATOM 0 H GLN A 8 1.156 -8.414 11.909 1.00 0.00 H new ATOM 0 HA GLN A 8 3.060 -8.671 9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.529 -9.923 10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.077 -8.661 11.986 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.383 -10.372 12.954 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.251 -11.577 12.024 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.521 -11.993 12.508 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.201 -11.556 14.079 1.00 0.00 H new ATOM 153 N ASP A 9 2.127 -10.950 9.024 1.00 0.00 N ATOM 154 CA ASP A 9 1.471 -12.144 8.486 1.00 0.00 C ATOM 155 C ASP A 9 1.949 -13.362 9.290 1.00 0.00 C ATOM 156 O ASP A 9 2.997 -13.268 9.924 1.00 0.00 O ATOM 157 CB ASP A 9 1.835 -12.263 6.986 1.00 0.00 C ATOM 158 CG ASP A 9 1.215 -13.488 6.297 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.001 -13.476 6.030 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.937 -14.475 6.042 1.00 0.00 O ATOM 0 H ASP A 9 2.967 -10.683 8.510 1.00 0.00 H new ATOM 0 HA ASP A 9 0.386 -12.084 8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.507 -11.361 6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.919 -12.311 6.887 1.00 0.00 H new ATOM 165 N LYS A 10 1.191 -14.491 9.231 1.00 0.00 N ATOM 166 CA LYS A 10 1.498 -15.757 9.959 1.00 0.00 C ATOM 167 C LYS A 10 2.936 -16.244 9.682 1.00 0.00 C ATOM 168 O LYS A 10 3.610 -16.767 10.573 1.00 0.00 O ATOM 169 CB LYS A 10 0.472 -16.867 9.603 1.00 0.00 C ATOM 170 CG LYS A 10 0.756 -18.232 10.283 1.00 0.00 C ATOM 171 CD LYS A 10 -0.203 -19.352 9.834 1.00 0.00 C ATOM 172 CE LYS A 10 -1.654 -19.107 10.285 1.00 0.00 C ATOM 173 NZ LYS A 10 -1.771 -18.997 11.764 1.00 0.00 N ATOM 0 H LYS A 10 0.340 -14.550 8.671 1.00 0.00 H new ATOM 0 HA LYS A 10 1.420 -15.541 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.525 -16.531 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.464 -17.006 8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.781 -18.532 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.683 -18.113 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.174 -19.436 8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.143 -20.304 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.027 -18.193 9.824 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.285 -19.922 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.774 -19.037 12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.259 -19.783 12.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.362 -18.094 12.078 1.00 0.00 H new ATOM 187 N ALA A 11 3.398 -16.023 8.440 1.00 0.00 N ATOM 188 CA ALA A 11 4.799 -16.288 8.022 1.00 0.00 C ATOM 189 C ALA A 11 5.837 -15.334 8.714 1.00 0.00 C ATOM 190 O ALA A 11 7.029 -15.365 8.384 1.00 0.00 O ATOM 191 CB ALA A 11 4.896 -16.181 6.493 1.00 0.00 C ATOM 0 H ALA A 11 2.814 -15.654 7.689 1.00 0.00 H new ATOM 0 HA ALA A 11 5.057 -17.297 8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.922 -16.374 6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.232 -16.913 6.034 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.603 -15.179 6.179 1.00 0.00 H new ATOM 197 N GLY A 12 5.363 -14.511 9.672 1.00 0.00 N ATOM 198 CA GLY A 12 6.150 -13.500 10.375 1.00 0.00 C ATOM 199 C GLY A 12 6.490 -12.302 9.512 1.00 0.00 C ATOM 200 O GLY A 12 7.367 -11.511 9.867 1.00 0.00 O ATOM 0 H GLY A 12 4.391 -14.540 9.981 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.597 -13.163 11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.073 -13.954 10.736 1.00 0.00 H new ATOM 204 N GLU A 13 5.759 -12.136 8.394 1.00 0.00 N ATOM 205 CA GLU A 13 6.112 -11.140 7.353 1.00 0.00 C ATOM 206 C GLU A 13 5.304 -9.862 7.577 1.00 0.00 C ATOM 207 O GLU A 13 4.121 -9.826 7.251 1.00 0.00 O ATOM 208 CB GLU A 13 5.861 -11.702 5.924 1.00 0.00 C ATOM 209 CG GLU A 13 6.675 -12.958 5.577 1.00 0.00 C ATOM 210 CD GLU A 13 6.525 -13.379 4.106 1.00 0.00 C ATOM 211 OE1 GLU A 13 7.275 -12.868 3.252 1.00 0.00 O ATOM 212 OE2 GLU A 13 5.630 -14.189 3.792 1.00 0.00 O ATOM 0 H GLU A 13 4.920 -12.676 8.184 1.00 0.00 H new ATOM 0 HA GLU A 13 7.175 -10.915 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.801 -11.932 5.820 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.091 -10.924 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.728 -12.774 5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.358 -13.780 6.219 1.00 0.00 H new ATOM 219 N TYR A 14 5.935 -8.866 8.218 1.00 0.00 N ATOM 220 CA TYR A 14 5.338 -7.541 8.458 1.00 0.00 C ATOM 221 C TYR A 14 4.763 -6.906 7.175 1.00 0.00 C ATOM 222 O TYR A 14 5.487 -6.592 6.223 1.00 0.00 O ATOM 223 CB TYR A 14 6.348 -6.604 9.155 1.00 0.00 C ATOM 224 CG TYR A 14 6.674 -7.044 10.589 1.00 0.00 C ATOM 225 CD1 TYR A 14 5.893 -6.613 11.662 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.738 -7.905 10.865 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.164 -7.020 12.951 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.007 -8.312 12.155 1.00 0.00 C ATOM 229 CZ TYR A 14 7.220 -7.866 13.189 1.00 0.00 C ATOM 230 OH TYR A 14 7.496 -8.266 14.471 1.00 0.00 O ATOM 0 H TYR A 14 6.881 -8.957 8.588 1.00 0.00 H new ATOM 0 HA TYR A 14 4.491 -7.688 9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.268 -6.571 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.945 -5.591 9.173 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.061 -5.949 11.479 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.360 -8.258 10.056 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.549 -6.676 13.769 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.833 -8.979 12.352 1.00 0.00 H new ATOM 0 HH TYR A 14 8.273 -8.863 14.467 1.00 0.00 H new ATOM 240 N ARG A 15 3.427 -6.761 7.206 1.00 0.00 N ATOM 241 CA ARG A 15 2.617 -6.205 6.125 1.00 0.00 C ATOM 242 C ARG A 15 1.722 -5.100 6.709 1.00 0.00 C ATOM 243 O ARG A 15 1.073 -5.312 7.736 1.00 0.00 O ATOM 244 CB ARG A 15 1.705 -7.286 5.460 1.00 0.00 C ATOM 245 CG ARG A 15 2.380 -8.591 4.984 1.00 0.00 C ATOM 246 CD ARG A 15 3.467 -8.377 3.925 1.00 0.00 C ATOM 247 NE ARG A 15 4.020 -9.666 3.445 1.00 0.00 N ATOM 248 CZ ARG A 15 4.463 -9.915 2.200 1.00 0.00 C ATOM 249 NH1 ARG A 15 4.416 -8.981 1.247 1.00 0.00 N ATOM 250 NH2 ARG A 15 4.955 -11.107 1.910 1.00 0.00 N ATOM 0 H ARG A 15 2.870 -7.039 8.014 1.00 0.00 H new ATOM 0 HA ARG A 15 3.290 -5.816 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.924 -7.551 6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.212 -6.829 4.602 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.819 -9.096 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.617 -9.256 4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.052 -7.822 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.269 -7.769 4.343 1.00 0.00 H new ATOM 0 HE ARG A 15 4.069 -10.431 4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.039 -8.057 1.457 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.758 -9.192 0.309 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.997 -11.830 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 15 5.293 -11.304 0.968 1.00 0.00 H new ATOM 264 N PHE A 16 1.638 -3.944 6.033 1.00 0.00 N ATOM 265 CA PHE A 16 0.660 -2.902 6.373 1.00 0.00 C ATOM 266 C PHE A 16 -0.273 -2.658 5.189 1.00 0.00 C ATOM 267 O PHE A 16 -0.003 -3.096 4.057 1.00 0.00 O ATOM 268 CB PHE A 16 1.329 -1.576 6.860 1.00 0.00 C ATOM 269 CG PHE A 16 2.193 -0.793 5.854 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.615 0.064 4.911 1.00 0.00 C ATOM 271 CD2 PHE A 16 3.580 -0.871 5.894 1.00 0.00 C ATOM 272 CE1 PHE A 16 2.402 0.804 4.043 1.00 0.00 C ATOM 273 CE2 PHE A 16 4.363 -0.136 5.022 1.00 0.00 C ATOM 274 CZ PHE A 16 3.774 0.704 4.100 1.00 0.00 C ATOM 0 H PHE A 16 2.239 -3.708 5.244 1.00 0.00 H new ATOM 0 HA PHE A 16 0.074 -3.265 7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.539 -0.912 7.210 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.952 -1.813 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.540 0.150 4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.055 -1.516 6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.939 1.460 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.439 -0.220 5.063 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.387 1.282 3.425 1.00 0.00 H new ATOM 284 N ARG A 17 -1.378 -1.980 5.482 1.00 0.00 N ATOM 285 CA ARG A 17 -2.389 -1.605 4.492 1.00 0.00 C ATOM 286 C ARG A 17 -2.943 -0.212 4.797 1.00 0.00 C ATOM 287 O ARG A 17 -2.665 0.355 5.857 1.00 0.00 O ATOM 288 CB ARG A 17 -3.529 -2.658 4.480 1.00 0.00 C ATOM 289 CG ARG A 17 -4.345 -2.787 5.783 1.00 0.00 C ATOM 290 CD ARG A 17 -5.382 -3.925 5.703 1.00 0.00 C ATOM 291 NE ARG A 17 -6.142 -4.096 6.957 1.00 0.00 N ATOM 292 CZ ARG A 17 -6.723 -5.243 7.352 1.00 0.00 C ATOM 293 NH1 ARG A 17 -6.638 -6.354 6.618 1.00 0.00 N ATOM 294 NH2 ARG A 17 -7.409 -5.272 8.482 1.00 0.00 N ATOM 0 H ARG A 17 -1.602 -1.670 6.427 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.927 -1.578 3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.214 -2.413 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.095 -3.631 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.669 -2.970 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.855 -1.845 5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.076 -3.721 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.873 -4.858 5.462 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.233 -3.285 7.569 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.124 -6.345 5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.087 -7.212 6.938 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.495 -4.428 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.852 -6.138 8.787 1.00 0.00 H new ATOM 308 N PHE A 18 -3.731 0.316 3.854 1.00 0.00 N ATOM 309 CA PHE A 18 -4.474 1.575 4.026 1.00 0.00 C ATOM 310 C PHE A 18 -5.944 1.276 3.749 1.00 0.00 C ATOM 311 O PHE A 18 -6.288 0.561 2.787 1.00 0.00 O ATOM 312 CB PHE A 18 -3.943 2.685 3.087 1.00 0.00 C ATOM 313 CG PHE A 18 -4.623 4.050 3.212 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.906 4.601 4.460 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.945 4.788 2.077 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.500 5.837 4.566 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.535 6.027 2.180 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.814 6.552 3.423 1.00 0.00 C ATOM 0 H PHE A 18 -3.874 -0.119 2.943 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.344 1.950 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.877 2.813 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.046 2.343 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.656 4.051 5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.728 4.382 1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.721 6.249 5.540 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.779 6.586 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.279 7.523 3.506 1.00 0.00 H new ATOM 328 N LYS A 19 -6.794 1.801 4.625 1.00 0.00 N ATOM 329 CA LYS A 19 -8.220 1.531 4.628 1.00 0.00 C ATOM 330 C LYS A 19 -9.013 2.689 3.998 1.00 0.00 C ATOM 331 O LYS A 19 -8.452 3.692 3.542 1.00 0.00 O ATOM 332 CB LYS A 19 -8.672 1.272 6.089 1.00 0.00 C ATOM 333 CG LYS A 19 -7.977 0.062 6.765 1.00 0.00 C ATOM 334 CD LYS A 19 -8.334 -1.289 6.095 1.00 0.00 C ATOM 335 CE LYS A 19 -9.834 -1.632 6.196 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.136 -3.031 5.778 1.00 0.00 N ATOM 0 H LYS A 19 -6.501 2.438 5.366 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.421 0.648 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.477 2.166 6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.750 1.110 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.897 0.204 6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.261 0.027 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.044 -1.256 5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.753 -2.085 6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.167 -1.485 7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.403 -0.941 5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.133 -3.100 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.526 -3.294 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.960 -3.677 6.574 1.00 0.00 H new ATOM 350 N ALA A 20 -10.333 2.504 3.995 1.00 0.00 N ATOM 351 CA ALA A 20 -11.313 3.456 3.480 1.00 0.00 C ATOM 352 C ALA A 20 -12.403 3.634 4.548 1.00 0.00 C ATOM 353 O ALA A 20 -12.572 2.754 5.390 1.00 0.00 O ATOM 354 CB ALA A 20 -11.873 2.948 2.145 1.00 0.00 C ATOM 0 H ALA A 20 -10.763 1.656 4.365 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.861 4.428 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.604 3.660 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.060 2.841 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.353 1.981 2.296 1.00 0.00 H new ATOM 360 N SER A 21 -13.092 4.793 4.532 1.00 0.00 N ATOM 361 CA SER A 21 -14.129 5.181 5.527 1.00 0.00 C ATOM 362 C SER A 21 -15.204 4.090 5.841 1.00 0.00 C ATOM 363 O SER A 21 -15.794 4.105 6.927 1.00 0.00 O ATOM 364 CB SER A 21 -14.824 6.480 5.060 1.00 0.00 C ATOM 365 OG SER A 21 -15.451 6.318 3.791 1.00 0.00 O ATOM 0 H SER A 21 -12.945 5.504 3.815 1.00 0.00 H new ATOM 0 HA SER A 21 -13.592 5.325 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 21 -15.569 6.779 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.091 7.284 5.003 1.00 0.00 H new ATOM 0 HG SER A 21 -15.881 7.159 3.529 1.00 0.00 H new ATOM 371 N ASN A 22 -15.454 3.159 4.899 1.00 0.00 N ATOM 372 CA ASN A 22 -16.481 2.093 5.059 1.00 0.00 C ATOM 373 C ASN A 22 -15.844 0.743 5.478 1.00 0.00 C ATOM 374 O ASN A 22 -16.514 -0.290 5.460 1.00 0.00 O ATOM 375 CB ASN A 22 -17.271 1.903 3.739 1.00 0.00 C ATOM 376 CG ASN A 22 -17.885 3.180 3.160 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.273 4.093 3.886 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.937 3.252 1.839 1.00 0.00 N ATOM 0 H ASN A 22 -14.957 3.119 4.009 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.160 2.412 5.850 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.604 1.469 2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.069 1.181 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.309 4.088 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -17.605 2.472 1.272 1.00 0.00 H new ATOM 385 N GLY A 23 -14.562 0.768 5.868 1.00 0.00 N ATOM 386 CA GLY A 23 -13.825 -0.439 6.274 1.00 0.00 C ATOM 387 C GLY A 23 -13.277 -1.267 5.118 1.00 0.00 C ATOM 388 O GLY A 23 -12.919 -2.431 5.308 1.00 0.00 O ATOM 0 H GLY A 23 -14.007 1.623 5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.996 -0.143 6.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.484 -1.067 6.873 1.00 0.00 H new ATOM 392 N GLU A 24 -13.208 -0.664 3.919 1.00 0.00 N ATOM 393 CA GLU A 24 -12.610 -1.310 2.726 1.00 0.00 C ATOM 394 C GLU A 24 -11.085 -1.098 2.714 1.00 0.00 C ATOM 395 O GLU A 24 -10.599 -0.128 3.279 1.00 0.00 O ATOM 396 CB GLU A 24 -13.231 -0.730 1.432 1.00 0.00 C ATOM 397 CG GLU A 24 -14.761 -0.851 1.342 1.00 0.00 C ATOM 398 CD GLU A 24 -15.245 -2.312 1.313 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.188 -2.945 0.237 1.00 0.00 O ATOM 400 OE2 GLU A 24 -15.669 -2.835 2.362 1.00 0.00 O ATOM 0 H GLU A 24 -13.560 0.277 3.744 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.820 -2.379 2.770 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.958 0.323 1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.789 -1.237 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.212 -0.341 2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.109 -0.340 0.444 1.00 0.00 H new ATOM 407 N THR A 25 -10.344 -2.026 2.098 1.00 0.00 N ATOM 408 CA THR A 25 -8.893 -1.882 1.858 1.00 0.00 C ATOM 409 C THR A 25 -8.644 -1.644 0.355 1.00 0.00 C ATOM 410 O THR A 25 -9.375 -2.153 -0.502 1.00 0.00 O ATOM 411 CB THR A 25 -8.100 -3.141 2.348 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.302 -3.343 3.741 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.591 -3.040 2.092 1.00 0.00 C ATOM 0 H THR A 25 -10.730 -2.903 1.749 1.00 0.00 H new ATOM 0 HA THR A 25 -8.533 -1.027 2.430 1.00 0.00 H new ATOM 0 HB THR A 25 -8.487 -3.981 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.086 -4.271 3.972 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.099 -3.943 2.454 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.410 -2.932 1.023 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.190 -2.173 2.617 1.00 0.00 H new ATOM 421 N MET A 26 -7.603 -0.859 0.059 1.00 0.00 N ATOM 422 CA MET A 26 -7.249 -0.450 -1.309 1.00 0.00 C ATOM 423 C MET A 26 -5.808 -0.875 -1.689 1.00 0.00 C ATOM 424 O MET A 26 -5.541 -1.167 -2.860 1.00 0.00 O ATOM 425 CB MET A 26 -7.508 1.071 -1.467 1.00 0.00 C ATOM 426 CG MET A 26 -7.046 1.941 -0.287 1.00 0.00 C ATOM 427 SD MET A 26 -5.270 1.911 -0.010 1.00 0.00 S ATOM 428 CE MET A 26 -4.692 2.545 -1.571 1.00 0.00 C ATOM 0 H MET A 26 -6.974 -0.484 0.769 1.00 0.00 H new ATOM 0 HA MET A 26 -7.887 -0.973 -2.021 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.006 1.417 -2.371 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.576 1.228 -1.616 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.359 2.970 -0.463 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.551 1.605 0.619 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.642 2.283 -1.704 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.279 2.111 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.800 3.630 -1.586 1.00 0.00 H new ATOM 438 N PHE A 27 -4.882 -0.910 -0.711 1.00 0.00 N ATOM 439 CA PHE A 27 -3.553 -1.549 -0.899 1.00 0.00 C ATOM 440 C PHE A 27 -3.146 -2.260 0.392 1.00 0.00 C ATOM 441 O PHE A 27 -3.588 -1.889 1.479 1.00 0.00 O ATOM 442 CB PHE A 27 -2.426 -0.546 -1.373 1.00 0.00 C ATOM 443 CG PHE A 27 -1.605 0.168 -0.276 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.456 -0.411 0.273 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.993 1.405 0.199 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.251 0.248 1.266 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.297 2.065 1.169 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.174 1.494 1.715 1.00 0.00 C ATOM 0 H PHE A 27 -5.023 -0.507 0.215 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.655 -2.272 -1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.732 -1.095 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.894 0.217 -1.995 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.119 -1.375 -0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.879 1.866 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.133 -0.206 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.629 3.036 1.507 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.376 2.009 2.489 1.00 0.00 H new ATOM 458 N SER A 28 -2.284 -3.260 0.231 1.00 0.00 N ATOM 459 CA SER A 28 -1.696 -4.043 1.329 1.00 0.00 C ATOM 460 C SER A 28 -0.342 -4.630 0.898 1.00 0.00 C ATOM 461 O SER A 28 0.104 -4.420 -0.226 1.00 0.00 O ATOM 462 CB SER A 28 -2.646 -5.214 1.737 1.00 0.00 C ATOM 463 OG SER A 28 -3.919 -4.775 2.161 1.00 0.00 O ATOM 0 H SER A 28 -1.963 -3.561 -0.689 1.00 0.00 H new ATOM 0 HA SER A 28 -1.555 -3.377 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.765 -5.889 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.181 -5.788 2.539 1.00 0.00 H new ATOM 0 HG SER A 28 -4.469 -5.550 2.401 1.00 0.00 H new ATOM 469 N SER A 29 0.317 -5.311 1.846 1.00 0.00 N ATOM 470 CA SER A 29 1.238 -6.433 1.568 1.00 0.00 C ATOM 471 C SER A 29 2.468 -6.047 0.726 1.00 0.00 C ATOM 472 O SER A 29 2.825 -6.724 -0.246 1.00 0.00 O ATOM 473 CB SER A 29 0.446 -7.615 0.942 1.00 0.00 C ATOM 474 OG SER A 29 -0.588 -8.060 1.815 1.00 0.00 O ATOM 0 H SER A 29 0.228 -5.099 2.840 1.00 0.00 H new ATOM 0 HA SER A 29 1.657 -6.746 2.524 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.014 -7.304 -0.009 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.126 -8.440 0.729 1.00 0.00 H new ATOM 0 HG SER A 29 -1.072 -8.803 1.397 1.00 0.00 H new ATOM 480 N GLU A 30 3.131 -4.970 1.148 1.00 0.00 N ATOM 481 CA GLU A 30 4.433 -4.557 0.599 1.00 0.00 C ATOM 482 C GLU A 30 5.543 -5.562 0.978 1.00 0.00 C ATOM 483 O GLU A 30 6.358 -5.928 0.120 1.00 0.00 O ATOM 484 CB GLU A 30 4.809 -3.083 1.014 1.00 0.00 C ATOM 485 CG GLU A 30 4.242 -2.542 2.346 1.00 0.00 C ATOM 486 CD GLU A 30 4.536 -3.414 3.570 1.00 0.00 C ATOM 487 OE1 GLU A 30 5.610 -3.281 4.187 1.00 0.00 O ATOM 488 OE2 GLU A 30 3.689 -4.261 3.899 1.00 0.00 O ATOM 0 H GLU A 30 2.783 -4.354 1.883 1.00 0.00 H new ATOM 0 HA GLU A 30 4.343 -4.561 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.896 -3.015 1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.482 -2.417 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.650 -1.546 2.520 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.162 -2.432 2.247 1.00 0.00 H new ATOM 495 N GLY A 31 5.545 -6.027 2.250 1.00 0.00 N ATOM 496 CA GLY A 31 6.585 -6.922 2.752 1.00 0.00 C ATOM 497 C GLY A 31 7.947 -6.262 2.744 1.00 0.00 C ATOM 498 O GLY A 31 8.901 -6.803 2.167 1.00 0.00 O ATOM 0 H GLY A 31 4.831 -5.790 2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.338 -7.233 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.615 -7.824 2.141 1.00 0.00 H new ATOM 502 N TYR A 32 8.036 -5.079 3.383 1.00 0.00 N ATOM 503 CA TYR A 32 9.184 -4.179 3.217 1.00 0.00 C ATOM 504 C TYR A 32 10.402 -4.721 3.990 1.00 0.00 C ATOM 505 O TYR A 32 11.438 -5.024 3.384 1.00 0.00 O ATOM 506 CB TYR A 32 8.812 -2.736 3.666 1.00 0.00 C ATOM 507 CG TYR A 32 9.837 -1.669 3.255 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.154 -1.472 1.908 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.486 -0.867 4.197 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.071 -0.519 1.520 1.00 0.00 C ATOM 511 CE2 TYR A 32 11.404 0.089 3.807 1.00 0.00 C ATOM 512 CZ TYR A 32 11.693 0.256 2.470 1.00 0.00 C ATOM 513 OH TYR A 32 12.605 1.212 2.079 1.00 0.00 O ATOM 0 H TYR A 32 7.321 -4.728 4.020 1.00 0.00 H new ATOM 0 HA TYR A 32 9.453 -4.135 2.162 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.842 -2.474 3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.703 -2.721 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.671 -2.079 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 32 10.267 -0.996 5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.300 -0.382 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.894 0.704 4.548 1.00 0.00 H new ATOM 0 HH TYR A 32 12.320 1.608 1.229 1.00 0.00 H new ATOM 523 N LYS A 33 10.250 -4.883 5.322 1.00 0.00 N ATOM 524 CA LYS A 33 11.332 -5.394 6.189 1.00 0.00 C ATOM 525 C LYS A 33 10.791 -5.778 7.581 1.00 0.00 C ATOM 526 O LYS A 33 10.795 -6.958 7.961 1.00 0.00 O ATOM 527 CB LYS A 33 12.487 -4.345 6.317 1.00 0.00 C ATOM 528 CG LYS A 33 13.760 -4.870 7.018 1.00 0.00 C ATOM 529 CD LYS A 33 14.460 -5.993 6.209 1.00 0.00 C ATOM 530 CE LYS A 33 15.651 -6.614 6.954 1.00 0.00 C ATOM 531 NZ LYS A 33 15.228 -7.286 8.207 1.00 0.00 N ATOM 0 H LYS A 33 9.387 -4.667 5.820 1.00 0.00 H new ATOM 0 HA LYS A 33 11.737 -6.292 5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.755 -3.996 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.115 -3.481 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.456 -4.045 7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.498 -5.247 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.735 -6.774 5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.805 -5.588 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.149 -7.335 6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.379 -5.837 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.013 -7.861 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.964 -6.570 8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.411 -7.899 8.013 1.00 0.00 H new ATOM 545 N ALA A 34 10.311 -4.769 8.325 1.00 0.00 N ATOM 546 CA ALA A 34 9.913 -4.915 9.743 1.00 0.00 C ATOM 547 C ALA A 34 8.827 -3.889 10.076 1.00 0.00 C ATOM 548 O ALA A 34 8.457 -3.101 9.200 1.00 0.00 O ATOM 549 CB ALA A 34 11.142 -4.723 10.647 1.00 0.00 C ATOM 0 H ALA A 34 10.186 -3.824 7.963 1.00 0.00 H new ATOM 0 HA ALA A 34 9.512 -5.914 9.914 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.846 -4.831 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.894 -5.474 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.558 -3.728 10.489 1.00 0.00 H new ATOM 555 N LYS A 35 8.323 -3.882 11.329 1.00 0.00 N ATOM 556 CA LYS A 35 7.302 -2.911 11.774 1.00 0.00 C ATOM 557 C LYS A 35 7.897 -1.495 11.851 1.00 0.00 C ATOM 558 O LYS A 35 7.255 -0.548 11.439 1.00 0.00 O ATOM 559 CB LYS A 35 6.677 -3.375 13.133 1.00 0.00 C ATOM 560 CG LYS A 35 5.972 -2.300 14.006 1.00 0.00 C ATOM 561 CD LYS A 35 6.906 -1.615 15.045 1.00 0.00 C ATOM 562 CE LYS A 35 6.216 -0.459 15.788 1.00 0.00 C ATOM 563 NZ LYS A 35 5.011 -0.914 16.519 1.00 0.00 N ATOM 0 H LYS A 35 8.609 -4.542 12.053 1.00 0.00 H new ATOM 0 HA LYS A 35 6.496 -2.872 11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.953 -4.161 12.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.469 -3.826 13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.550 -1.536 13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.138 -2.764 14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.244 -2.357 15.769 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.793 -1.237 14.537 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.918 -0.008 16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.937 0.316 15.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.556 -0.100 16.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.345 -1.352 15.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.285 -1.610 17.241 1.00 0.00 H new ATOM 577 N ALA A 36 9.117 -1.369 12.401 1.00 0.00 N ATOM 578 CA ALA A 36 9.843 -0.076 12.469 1.00 0.00 C ATOM 579 C ALA A 36 10.007 0.520 11.058 1.00 0.00 C ATOM 580 O ALA A 36 9.764 1.709 10.831 1.00 0.00 O ATOM 581 CB ALA A 36 11.206 -0.265 13.156 1.00 0.00 C ATOM 0 H ALA A 36 9.630 -2.150 12.810 1.00 0.00 H new ATOM 0 HA ALA A 36 9.260 0.626 13.065 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.727 0.691 13.199 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.054 -0.641 14.168 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.803 -0.979 12.589 1.00 0.00 H new ATOM 587 N SER A 37 10.346 -0.364 10.106 1.00 0.00 N ATOM 588 CA SER A 37 10.491 -0.029 8.684 1.00 0.00 C ATOM 589 C SER A 37 9.118 0.283 8.052 1.00 0.00 C ATOM 590 O SER A 37 9.035 1.061 7.099 1.00 0.00 O ATOM 591 CB SER A 37 11.150 -1.214 7.953 1.00 0.00 C ATOM 592 OG SER A 37 12.322 -1.649 8.629 1.00 0.00 O ATOM 0 H SER A 37 10.530 -1.347 10.308 1.00 0.00 H new ATOM 0 HA SER A 37 11.117 0.859 8.590 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.442 -2.039 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.403 -0.921 6.934 1.00 0.00 H new ATOM 0 HG SER A 37 13.062 -1.719 7.990 1.00 0.00 H new ATOM 598 N ALA A 38 8.055 -0.350 8.605 1.00 0.00 N ATOM 599 CA ALA A 38 6.671 -0.168 8.147 1.00 0.00 C ATOM 600 C ALA A 38 6.179 1.250 8.474 1.00 0.00 C ATOM 601 O ALA A 38 5.628 1.908 7.606 1.00 0.00 O ATOM 602 CB ALA A 38 5.738 -1.232 8.755 1.00 0.00 C ATOM 0 H ALA A 38 8.142 -1.002 9.384 1.00 0.00 H new ATOM 0 HA ALA A 38 6.652 -0.296 7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.721 -1.071 8.398 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.075 -2.225 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.757 -1.154 9.842 1.00 0.00 H new ATOM 608 N ILE A 39 6.375 1.710 9.739 1.00 0.00 N ATOM 609 CA ILE A 39 6.078 3.107 10.154 1.00 0.00 C ATOM 610 C ILE A 39 6.828 4.111 9.259 1.00 0.00 C ATOM 611 O ILE A 39 6.202 5.013 8.718 1.00 0.00 O ATOM 612 CB ILE A 39 6.413 3.387 11.696 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.313 2.809 12.657 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.614 4.898 12.000 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.205 1.304 12.707 1.00 0.00 C ATOM 0 H ILE A 39 6.740 1.128 10.493 1.00 0.00 H new ATOM 0 HA ILE A 39 5.003 3.242 10.032 1.00 0.00 H new ATOM 0 HB ILE A 39 7.354 2.869 11.883 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.511 3.173 13.665 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.347 3.213 12.356 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.838 5.029 13.059 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.441 5.282 11.403 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.704 5.443 11.752 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.415 1.019 13.401 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.970 0.923 11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.152 0.882 13.042 1.00 0.00 H new ATOM 627 N HIS A 40 8.158 3.915 9.091 1.00 0.00 N ATOM 628 CA HIS A 40 9.013 4.816 8.274 1.00 0.00 C ATOM 629 C HIS A 40 8.511 4.918 6.825 1.00 0.00 C ATOM 630 O HIS A 40 8.497 6.020 6.224 1.00 0.00 O ATOM 631 CB HIS A 40 10.506 4.370 8.320 1.00 0.00 C ATOM 632 CG HIS A 40 11.229 4.834 9.558 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.254 5.758 9.525 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.072 4.501 10.861 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.676 5.987 10.751 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.976 5.234 11.580 1.00 0.00 N ATOM 0 H HIS A 40 8.666 3.137 9.512 1.00 0.00 H new ATOM 0 HA HIS A 40 8.945 5.812 8.713 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.555 3.282 8.265 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.021 4.757 7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.364 3.789 11.259 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.461 6.674 11.031 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.091 5.204 12.593 1.00 0.00 H new ATOM 645 N ALA A 41 8.070 3.771 6.277 1.00 0.00 N ATOM 646 CA ALA A 41 7.415 3.712 4.976 1.00 0.00 C ATOM 647 C ALA A 41 6.167 4.598 4.985 1.00 0.00 C ATOM 648 O ALA A 41 6.086 5.552 4.229 1.00 0.00 O ATOM 649 CB ALA A 41 7.079 2.253 4.614 1.00 0.00 C ATOM 0 H ALA A 41 8.162 2.863 6.732 1.00 0.00 H new ATOM 0 HA ALA A 41 8.090 4.091 4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.590 2.223 3.640 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.997 1.667 4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.412 1.836 5.368 1.00 0.00 H new ATOM 655 N ILE A 42 5.248 4.326 5.913 1.00 0.00 N ATOM 656 CA ILE A 42 3.996 5.092 6.075 1.00 0.00 C ATOM 657 C ILE A 42 4.265 6.598 6.307 1.00 0.00 C ATOM 658 O ILE A 42 3.450 7.439 5.931 1.00 0.00 O ATOM 659 CB ILE A 42 3.145 4.497 7.247 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.743 3.031 6.910 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.891 5.354 7.556 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.233 2.236 8.081 1.00 0.00 C ATOM 0 H ILE A 42 5.346 3.563 6.582 1.00 0.00 H new ATOM 0 HA ILE A 42 3.433 5.004 5.146 1.00 0.00 H new ATOM 0 HB ILE A 42 3.760 4.507 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.975 3.047 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.608 2.519 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.333 4.901 8.376 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.199 6.360 7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.257 5.404 6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.977 1.228 7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.005 2.183 8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.346 2.720 8.491 1.00 0.00 H new ATOM 674 N GLU A 43 5.443 6.927 6.863 1.00 0.00 N ATOM 675 CA GLU A 43 5.830 8.322 7.117 1.00 0.00 C ATOM 676 C GLU A 43 6.020 9.075 5.796 1.00 0.00 C ATOM 677 O GLU A 43 5.732 10.273 5.737 1.00 0.00 O ATOM 678 CB GLU A 43 7.090 8.426 8.002 1.00 0.00 C ATOM 679 CG GLU A 43 6.869 8.031 9.480 1.00 0.00 C ATOM 680 CD GLU A 43 8.128 8.195 10.342 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.458 9.344 10.701 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.802 7.189 10.660 1.00 0.00 O ATOM 0 H GLU A 43 6.145 6.242 7.145 1.00 0.00 H new ATOM 0 HA GLU A 43 5.017 8.791 7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.868 7.789 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.462 9.450 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.068 8.642 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.536 6.994 9.527 1.00 0.00 H new ATOM 689 N SER A 44 6.467 8.358 4.733 1.00 0.00 N ATOM 690 CA SER A 44 6.463 8.899 3.350 1.00 0.00 C ATOM 691 C SER A 44 5.078 9.407 2.948 1.00 0.00 C ATOM 692 O SER A 44 4.954 10.439 2.268 1.00 0.00 O ATOM 693 CB SER A 44 6.885 7.818 2.336 1.00 0.00 C ATOM 694 OG SER A 44 8.284 7.588 2.375 1.00 0.00 O ATOM 0 H SER A 44 6.833 7.409 4.807 1.00 0.00 H new ATOM 0 HA SER A 44 7.173 9.726 3.338 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.356 6.889 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.593 8.126 1.332 1.00 0.00 H new ATOM 0 HG SER A 44 8.672 7.779 1.495 1.00 0.00 H new ATOM 700 N ILE A 45 4.041 8.655 3.362 1.00 0.00 N ATOM 701 CA ILE A 45 2.675 8.944 2.961 1.00 0.00 C ATOM 702 C ILE A 45 2.203 10.225 3.667 1.00 0.00 C ATOM 703 O ILE A 45 1.626 11.124 3.039 1.00 0.00 O ATOM 704 CB ILE A 45 1.646 7.778 3.260 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.260 6.355 3.047 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.435 7.955 2.333 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.480 5.951 1.605 1.00 0.00 C ATOM 0 H ILE A 45 4.136 7.845 3.974 1.00 0.00 H new ATOM 0 HA ILE A 45 2.694 9.063 1.878 1.00 0.00 H new ATOM 0 HB ILE A 45 1.360 7.844 4.310 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.216 6.309 3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.604 5.621 3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.287 7.161 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.030 8.922 2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.762 7.908 1.294 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.908 4.949 1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.527 5.957 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.163 6.655 1.130 1.00 0.00 H new ATOM 719 N LYS A 46 2.490 10.288 4.982 1.00 0.00 N ATOM 720 CA LYS A 46 2.104 11.413 5.872 1.00 0.00 C ATOM 721 C LYS A 46 2.683 12.750 5.401 1.00 0.00 C ATOM 722 O LYS A 46 2.098 13.817 5.624 1.00 0.00 O ATOM 723 CB LYS A 46 2.567 11.149 7.346 1.00 0.00 C ATOM 724 CG LYS A 46 2.357 9.706 7.886 1.00 0.00 C ATOM 725 CD LYS A 46 0.966 9.117 7.566 1.00 0.00 C ATOM 726 CE LYS A 46 -0.178 9.972 8.108 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.210 9.982 9.589 1.00 0.00 N ATOM 0 H LYS A 46 3.003 9.552 5.467 1.00 0.00 H new ATOM 0 HA LYS A 46 1.016 11.474 5.833 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.627 11.391 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.036 11.840 8.000 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.123 9.055 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.501 9.708 8.966 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.859 9.017 6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.895 8.114 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.073 10.993 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.126 9.592 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.197 10.017 9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.244 9.119 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.301 10.816 9.942 1.00 0.00 H new ATOM 741 N ARG A 47 3.847 12.640 4.772 1.00 0.00 N ATOM 742 CA ARG A 47 4.612 13.780 4.250 1.00 0.00 C ATOM 743 C ARG A 47 3.809 14.617 3.220 1.00 0.00 C ATOM 744 O ARG A 47 3.403 15.745 3.523 1.00 0.00 O ATOM 745 CB ARG A 47 5.962 13.289 3.640 1.00 0.00 C ATOM 746 CG ARG A 47 7.089 13.026 4.659 1.00 0.00 C ATOM 747 CD ARG A 47 7.472 14.311 5.410 1.00 0.00 C ATOM 748 NE ARG A 47 7.704 15.450 4.482 1.00 0.00 N ATOM 749 CZ ARG A 47 7.215 16.697 4.642 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.564 17.044 5.743 1.00 0.00 N ATOM 751 NH2 ARG A 47 7.405 17.602 3.701 1.00 0.00 N ATOM 0 H ARG A 47 4.299 11.741 4.604 1.00 0.00 H new ATOM 0 HA ARG A 47 4.820 14.442 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.777 12.371 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.309 14.033 2.923 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.768 12.267 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.963 12.629 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.680 14.571 6.112 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.373 14.133 5.998 1.00 0.00 H new ATOM 0 HE ARG A 47 8.279 15.274 3.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.425 16.363 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.202 17.992 5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.920 17.358 2.855 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.036 18.546 3.819 1.00 0.00 H new ATOM 765 N ASN A 48 3.554 14.047 2.026 1.00 0.00 N ATOM 766 CA ASN A 48 2.967 14.808 0.884 1.00 0.00 C ATOM 767 C ASN A 48 2.273 13.880 -0.143 1.00 0.00 C ATOM 768 O ASN A 48 1.983 14.301 -1.259 1.00 0.00 O ATOM 769 CB ASN A 48 4.063 15.681 0.192 1.00 0.00 C ATOM 770 CG ASN A 48 3.511 16.752 -0.757 1.00 0.00 C ATOM 771 OD1 ASN A 48 2.420 17.295 -0.553 1.00 0.00 O ATOM 772 ND2 ASN A 48 4.258 17.069 -1.795 1.00 0.00 N ATOM 0 H ASN A 48 3.741 13.066 1.819 1.00 0.00 H new ATOM 0 HA ASN A 48 2.197 15.464 1.290 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.662 16.168 0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.732 15.027 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.940 17.779 -2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.155 16.605 -1.939 1.00 0.00 H new ATOM 779 N SER A 49 1.978 12.630 0.242 1.00 0.00 N ATOM 780 CA SER A 49 1.475 11.611 -0.707 1.00 0.00 C ATOM 781 C SER A 49 0.077 11.944 -1.265 1.00 0.00 C ATOM 782 O SER A 49 -0.242 11.591 -2.410 1.00 0.00 O ATOM 783 CB SER A 49 1.445 10.246 -0.045 1.00 0.00 C ATOM 784 OG SER A 49 1.200 9.214 -0.972 1.00 0.00 O ATOM 0 H SER A 49 2.077 12.295 1.200 1.00 0.00 H new ATOM 0 HA SER A 49 2.166 11.605 -1.550 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.396 10.065 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.673 10.233 0.724 1.00 0.00 H new ATOM 0 HG SER A 49 2.050 8.902 -1.346 1.00 0.00 H new ATOM 790 N ALA A 50 -0.753 12.600 -0.441 1.00 0.00 N ATOM 791 CA ALA A 50 -2.049 13.143 -0.881 1.00 0.00 C ATOM 792 C ALA A 50 -1.884 14.195 -2.005 1.00 0.00 C ATOM 793 O ALA A 50 -2.749 14.320 -2.884 1.00 0.00 O ATOM 794 CB ALA A 50 -2.805 13.714 0.323 1.00 0.00 C ATOM 0 H ALA A 50 -0.548 12.769 0.544 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.636 12.330 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.764 14.115 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.974 12.924 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.216 14.510 0.778 1.00 0.00 H new ATOM 800 N GLY A 51 -0.751 14.924 -1.972 1.00 0.00 N ATOM 801 CA GLY A 51 -0.400 15.903 -3.008 1.00 0.00 C ATOM 802 C GLY A 51 0.615 15.384 -4.033 1.00 0.00 C ATOM 803 O GLY A 51 0.984 16.121 -4.952 1.00 0.00 O ATOM 0 H GLY A 51 -0.058 14.848 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.307 16.206 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.005 16.795 -2.529 1.00 0.00 H new ATOM 807 N ALA A 52 1.071 14.121 -3.867 1.00 0.00 N ATOM 808 CA ALA A 52 2.003 13.449 -4.808 1.00 0.00 C ATOM 809 C ALA A 52 1.362 13.256 -6.193 1.00 0.00 C ATOM 810 O ALA A 52 0.151 13.403 -6.350 1.00 0.00 O ATOM 811 CB ALA A 52 2.450 12.089 -4.232 1.00 0.00 C ATOM 0 H ALA A 52 0.804 13.536 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 52 2.876 14.090 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.133 11.605 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.956 12.246 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.577 11.454 -4.079 1.00 0.00 H new ATOM 817 N ASP A 53 2.180 12.941 -7.202 1.00 0.00 N ATOM 818 CA ASP A 53 1.684 12.655 -8.568 1.00 0.00 C ATOM 819 C ASP A 53 1.369 11.154 -8.698 1.00 0.00 C ATOM 820 O ASP A 53 1.816 10.342 -7.877 1.00 0.00 O ATOM 821 CB ASP A 53 2.727 13.091 -9.635 1.00 0.00 C ATOM 822 CG ASP A 53 3.115 14.572 -9.542 1.00 0.00 C ATOM 823 OD1 ASP A 53 4.005 14.913 -8.728 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.531 15.409 -10.264 1.00 0.00 O ATOM 0 H ASP A 53 3.193 12.875 -7.106 1.00 0.00 H new ATOM 0 HA ASP A 53 0.772 13.226 -8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.624 12.481 -9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.325 12.891 -10.628 1.00 0.00 H new ATOM 829 N THR A 54 0.554 10.792 -9.691 1.00 0.00 N ATOM 830 CA THR A 54 0.241 9.387 -9.996 1.00 0.00 C ATOM 831 C THR A 54 0.654 9.061 -11.451 1.00 0.00 C ATOM 832 O THR A 54 -0.049 9.393 -12.409 1.00 0.00 O ATOM 833 CB THR A 54 -1.272 9.125 -9.722 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.575 9.522 -8.366 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.666 7.652 -9.909 1.00 0.00 C ATOM 0 H THR A 54 0.091 11.460 -10.307 1.00 0.00 H new ATOM 0 HA THR A 54 0.810 8.719 -9.349 1.00 0.00 H new ATOM 0 HB THR A 54 -1.841 9.708 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.540 9.670 -8.276 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.730 7.531 -9.705 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.456 7.347 -10.934 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.092 7.032 -9.221 1.00 0.00 H new ATOM 843 N VAL A 55 1.835 8.431 -11.571 1.00 0.00 N ATOM 844 CA VAL A 55 2.495 8.103 -12.850 1.00 0.00 C ATOM 845 C VAL A 55 2.259 6.623 -13.202 1.00 0.00 C ATOM 846 O VAL A 55 2.535 5.743 -12.381 1.00 0.00 O ATOM 847 CB VAL A 55 4.044 8.379 -12.745 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.803 7.972 -14.028 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.305 9.857 -12.379 1.00 0.00 C ATOM 0 H VAL A 55 2.373 8.127 -10.760 1.00 0.00 H new ATOM 0 HA VAL A 55 2.070 8.731 -13.634 1.00 0.00 H new ATOM 0 HB VAL A 55 4.435 7.750 -11.945 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.865 8.182 -13.904 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.663 6.907 -14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.417 8.540 -14.875 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.379 10.031 -12.310 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.881 10.503 -13.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.839 10.082 -11.420 1.00 0.00 H new ATOM 859 N ASP A 56 1.755 6.365 -14.417 1.00 0.00 N ATOM 860 CA ASP A 56 1.513 5.002 -14.927 1.00 0.00 C ATOM 861 C ASP A 56 2.544 4.645 -16.021 1.00 0.00 C ATOM 862 O ASP A 56 2.678 5.359 -17.023 1.00 0.00 O ATOM 863 CB ASP A 56 0.069 4.879 -15.475 1.00 0.00 C ATOM 864 CG ASP A 56 -0.316 3.427 -15.831 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.130 2.921 -16.881 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.057 2.784 -15.057 1.00 0.00 O ATOM 0 H ASP A 56 1.501 7.098 -15.079 1.00 0.00 H new ATOM 0 HA ASP A 56 1.629 4.297 -14.104 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.630 5.263 -14.732 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.032 5.504 -16.362 1.00 0.00 H new ATOM 871 N LEU A 57 3.278 3.550 -15.785 1.00 0.00 N ATOM 872 CA LEU A 57 4.284 2.993 -16.712 1.00 0.00 C ATOM 873 C LEU A 57 3.753 1.770 -17.516 1.00 0.00 C ATOM 874 O LEU A 57 4.377 1.398 -18.511 1.00 0.00 O ATOM 875 CB LEU A 57 5.571 2.556 -15.932 1.00 0.00 C ATOM 876 CG LEU A 57 6.272 3.617 -15.001 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.516 4.951 -15.718 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.511 3.824 -13.677 1.00 0.00 C ATOM 0 H LEU A 57 3.190 3.010 -14.924 1.00 0.00 H new ATOM 0 HA LEU A 57 4.517 3.790 -17.418 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.312 1.694 -15.318 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.305 2.218 -16.663 1.00 0.00 H new ATOM 0 HG LEU A 57 7.249 3.203 -14.752 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.001 5.648 -15.035 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.157 4.787 -16.584 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.564 5.367 -16.046 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.032 4.564 -13.069 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.501 4.175 -13.889 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.461 2.880 -13.135 1.00 0.00 H new ATOM 890 N THR A 58 2.607 1.165 -17.116 1.00 0.00 N ATOM 891 CA THR A 58 2.138 -0.132 -17.696 1.00 0.00 C ATOM 892 C THR A 58 1.200 0.039 -18.913 1.00 0.00 C ATOM 893 O THR A 58 0.938 -0.934 -19.611 1.00 0.00 O ATOM 894 CB THR A 58 1.451 -1.037 -16.608 1.00 0.00 C ATOM 895 OG1 THR A 58 1.073 -2.326 -17.128 1.00 0.00 O ATOM 896 CG2 THR A 58 0.229 -0.381 -15.953 1.00 0.00 C ATOM 0 H THR A 58 1.990 1.546 -16.399 1.00 0.00 H new ATOM 0 HA THR A 58 3.039 -0.628 -18.057 1.00 0.00 H new ATOM 0 HB THR A 58 2.214 -1.170 -15.841 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.869 -2.246 -18.083 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.196 -1.060 -15.213 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.531 0.545 -15.464 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.519 -0.162 -16.715 1.00 0.00 H new ATOM 904 N THR A 59 0.732 1.263 -19.208 1.00 0.00 N ATOM 905 CA THR A 59 -0.186 1.498 -20.355 1.00 0.00 C ATOM 906 C THR A 59 0.541 1.338 -21.721 1.00 0.00 C ATOM 907 O THR A 59 -0.111 1.259 -22.767 1.00 0.00 O ATOM 908 CB THR A 59 -0.899 2.897 -20.260 1.00 0.00 C ATOM 909 OG1 THR A 59 0.042 3.894 -19.823 1.00 0.00 O ATOM 910 CG2 THR A 59 -2.112 2.883 -19.303 1.00 0.00 C ATOM 0 H THR A 59 0.966 2.103 -18.679 1.00 0.00 H new ATOM 0 HA THR A 59 -0.957 0.730 -20.298 1.00 0.00 H new ATOM 0 HB THR A 59 -1.271 3.134 -21.257 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.406 4.764 -19.767 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.566 3.874 -19.276 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.845 2.158 -19.656 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.782 2.608 -18.301 1.00 0.00 H new ATOM 961 N MET B 1 8.939 15.919 -6.927 1.00 0.00 N ATOM 962 CA MET B 1 9.296 15.487 -5.555 1.00 0.00 C ATOM 963 C MET B 1 9.311 13.949 -5.509 1.00 0.00 C ATOM 964 O MET B 1 10.374 13.325 -5.568 1.00 0.00 O ATOM 965 CB MET B 1 8.287 16.092 -4.532 1.00 0.00 C ATOM 966 CG MET B 1 8.623 15.839 -3.055 1.00 0.00 C ATOM 967 SD MET B 1 7.384 16.504 -1.916 1.00 0.00 S ATOM 968 CE MET B 1 7.402 18.258 -2.306 1.00 0.00 C ATOM 0 H1 MET B 1 8.925 16.958 -6.971 1.00 0.00 H new ATOM 0 H2 MET B 1 9.642 15.553 -7.600 1.00 0.00 H new ATOM 0 H3 MET B 1 7.999 15.550 -7.174 1.00 0.00 H new ATOM 0 HA MET B 1 10.288 15.848 -5.284 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.229 17.168 -4.696 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.297 15.685 -4.738 1.00 0.00 H new ATOM 0 HG2 MET B 1 8.719 14.766 -2.890 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.592 16.285 -2.828 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.897 18.812 -1.515 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.433 18.602 -2.388 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.887 18.426 -3.252 1.00 0.00 H new ATOM 978 N TYR B 2 8.106 13.359 -5.460 1.00 0.00 N ATOM 979 CA TYR B 2 7.894 11.905 -5.511 1.00 0.00 C ATOM 980 C TYR B 2 6.466 11.614 -5.977 1.00 0.00 C ATOM 981 O TYR B 2 5.607 12.510 -5.996 1.00 0.00 O ATOM 982 CB TYR B 2 8.218 11.201 -4.157 1.00 0.00 C ATOM 983 CG TYR B 2 7.730 11.893 -2.873 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.402 12.297 -2.700 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.613 12.122 -1.822 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.986 12.895 -1.534 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.201 12.712 -0.659 1.00 0.00 C ATOM 988 CZ TYR B 2 6.889 13.096 -0.517 1.00 0.00 C ATOM 989 OH TYR B 2 6.474 13.674 0.646 1.00 0.00 O ATOM 0 H TYR B 2 7.238 13.889 -5.383 1.00 0.00 H new ATOM 0 HA TYR B 2 8.595 11.486 -6.232 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.789 10.199 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.299 11.083 -4.087 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.691 12.136 -3.497 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.647 11.827 -1.927 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.958 13.204 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR B 2 8.904 12.876 0.145 1.00 0.00 H new ATOM 0 HH TYR B 2 7.160 14.297 0.965 1.00 0.00 H new ATOM 999 N LYS B 3 6.209 10.344 -6.299 1.00 0.00 N ATOM 1000 CA LYS B 3 4.988 9.933 -6.993 1.00 0.00 C ATOM 1001 C LYS B 3 4.758 8.421 -6.902 1.00 0.00 C ATOM 1002 O LYS B 3 5.574 7.681 -6.335 1.00 0.00 O ATOM 1003 CB LYS B 3 4.986 10.440 -8.485 1.00 0.00 C ATOM 1004 CG LYS B 3 6.322 10.401 -9.269 1.00 0.00 C ATOM 1005 CD LYS B 3 6.924 8.991 -9.474 1.00 0.00 C ATOM 1006 CE LYS B 3 8.135 9.045 -10.422 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.902 7.788 -10.474 1.00 0.00 N ATOM 0 H LYS B 3 6.842 9.573 -6.086 1.00 0.00 H new ATOM 0 HA LYS B 3 4.148 10.406 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.257 9.847 -9.038 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.628 11.469 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.165 10.857 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.051 11.017 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS B 3 7.228 8.577 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.166 8.323 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.789 9.291 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.797 9.852 -10.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.919 8.003 -10.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 8.694 7.219 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.635 7.253 -11.325 1.00 0.00 H new ATOM 1021 N PHE B 4 3.640 7.992 -7.492 1.00 0.00 N ATOM 1022 CA PHE B 4 3.233 6.593 -7.560 1.00 0.00 C ATOM 1023 C PHE B 4 3.622 6.033 -8.924 1.00 0.00 C ATOM 1024 O PHE B 4 3.201 6.560 -9.950 1.00 0.00 O ATOM 1025 CB PHE B 4 1.705 6.462 -7.342 1.00 0.00 C ATOM 1026 CG PHE B 4 1.259 6.832 -5.932 1.00 0.00 C ATOM 1027 CD1 PHE B 4 0.940 8.153 -5.585 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.169 5.849 -4.945 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.549 8.466 -4.304 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.773 6.170 -3.667 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.465 7.474 -3.350 1.00 0.00 C ATOM 0 H PHE B 4 2.980 8.624 -7.945 1.00 0.00 H new ATOM 0 HA PHE B 4 3.736 6.029 -6.774 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.188 7.101 -8.058 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.402 5.436 -7.553 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.002 8.932 -6.331 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.413 4.825 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.308 9.487 -4.046 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.704 5.400 -2.913 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.155 7.722 -2.346 1.00 0.00 H new ATOM 1041 N GLU B 5 4.450 4.990 -8.925 1.00 0.00 N ATOM 1042 CA GLU B 5 4.813 4.269 -10.144 1.00 0.00 C ATOM 1043 C GLU B 5 3.881 3.061 -10.279 1.00 0.00 C ATOM 1044 O GLU B 5 3.974 2.117 -9.480 1.00 0.00 O ATOM 1045 CB GLU B 5 6.294 3.818 -10.125 1.00 0.00 C ATOM 1046 CG GLU B 5 7.321 4.958 -10.194 1.00 0.00 C ATOM 1047 CD GLU B 5 8.791 4.481 -10.134 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.082 3.493 -9.436 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.670 5.138 -10.728 1.00 0.00 O ATOM 0 H GLU B 5 4.888 4.621 -8.081 1.00 0.00 H new ATOM 0 HA GLU B 5 4.700 4.933 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.472 3.244 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.464 3.145 -10.965 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.168 5.517 -11.117 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.139 5.648 -9.370 1.00 0.00 H new ATOM 1056 N ILE B 6 2.983 3.105 -11.279 1.00 0.00 N ATOM 1057 CA ILE B 6 2.004 2.045 -11.541 1.00 0.00 C ATOM 1058 C ILE B 6 2.519 1.198 -12.687 1.00 0.00 C ATOM 1059 O ILE B 6 2.753 1.705 -13.778 1.00 0.00 O ATOM 1060 CB ILE B 6 0.608 2.607 -11.969 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.156 3.740 -11.013 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.449 1.460 -12.039 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.029 4.528 -11.518 1.00 0.00 C ATOM 0 H ILE B 6 2.919 3.886 -11.932 1.00 0.00 H new ATOM 0 HA ILE B 6 1.879 1.478 -10.618 1.00 0.00 H new ATOM 0 HB ILE B 6 0.698 3.035 -12.967 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.094 3.307 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.991 4.421 -10.852 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.413 1.871 -12.338 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.130 0.715 -12.768 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.543 0.991 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.286 5.302 -10.795 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.778 4.991 -12.472 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.880 3.860 -11.652 1.00 0.00 H new ATOM 1075 N TYR B 7 2.672 -0.074 -12.451 1.00 0.00 N ATOM 1076 CA TYR B 7 3.156 -1.000 -13.460 1.00 0.00 C ATOM 1077 C TYR B 7 2.428 -2.337 -13.328 1.00 0.00 C ATOM 1078 O TYR B 7 1.511 -2.486 -12.519 1.00 0.00 O ATOM 1079 CB TYR B 7 4.703 -1.127 -13.350 1.00 0.00 C ATOM 1080 CG TYR B 7 5.196 -1.495 -11.931 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.297 -2.827 -11.512 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.514 -0.497 -10.996 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.700 -3.143 -10.227 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.909 -0.816 -9.710 1.00 0.00 C ATOM 1085 CZ TYR B 7 6.001 -2.136 -9.331 1.00 0.00 C ATOM 1086 OH TYR B 7 6.382 -2.455 -8.040 1.00 0.00 O ATOM 0 H TYR B 7 2.466 -0.509 -11.552 1.00 0.00 H new ATOM 0 HA TYR B 7 2.939 -0.625 -14.460 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.048 -1.885 -14.053 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.159 -0.183 -13.650 1.00 0.00 H new ATOM 0 HD1 TYR B 7 5.056 -3.621 -12.203 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.449 0.541 -11.287 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.779 -4.177 -9.925 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.145 -0.032 -9.005 1.00 0.00 H new ATOM 0 HH TYR B 7 6.617 -3.405 -7.994 1.00 0.00 H new ATOM 1096 N GLN B 8 2.805 -3.281 -14.175 1.00 0.00 N ATOM 1097 CA GLN B 8 2.444 -4.693 -14.007 1.00 0.00 C ATOM 1098 C GLN B 8 3.736 -5.510 -13.932 1.00 0.00 C ATOM 1099 O GLN B 8 4.771 -5.126 -14.493 1.00 0.00 O ATOM 1100 CB GLN B 8 1.499 -5.200 -15.142 1.00 0.00 C ATOM 1101 CG GLN B 8 2.181 -5.632 -16.448 1.00 0.00 C ATOM 1102 CD GLN B 8 1.199 -5.785 -17.612 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.949 -4.851 -18.369 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.604 -6.955 -17.736 1.00 0.00 N ATOM 0 H GLN B 8 3.372 -3.097 -15.003 1.00 0.00 H new ATOM 0 HA GLN B 8 1.878 -4.814 -13.083 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.926 -6.044 -14.759 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.786 -4.409 -15.373 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.941 -4.898 -16.715 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.696 -6.579 -16.287 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.831 -7.713 -17.093 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.083 -7.102 -18.475 1.00 0.00 H new ATOM 1113 N ASP B 9 3.665 -6.612 -13.207 1.00 0.00 N ATOM 1114 CA ASP B 9 4.764 -7.566 -13.049 1.00 0.00 C ATOM 1115 C ASP B 9 4.747 -8.533 -14.241 1.00 0.00 C ATOM 1116 O ASP B 9 3.704 -8.644 -14.888 1.00 0.00 O ATOM 1117 CB ASP B 9 4.549 -8.291 -11.705 1.00 0.00 C ATOM 1118 CG ASP B 9 5.605 -9.346 -11.398 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.729 -8.967 -11.001 1.00 0.00 O ATOM 1120 OD2 ASP B 9 5.328 -10.551 -11.568 1.00 0.00 O ATOM 0 H ASP B 9 2.824 -6.881 -12.697 1.00 0.00 H new ATOM 0 HA ASP B 9 5.740 -7.081 -13.035 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.542 -7.554 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.567 -8.765 -11.712 1.00 0.00 H new ATOM 1125 N LYS B 10 5.882 -9.235 -14.498 1.00 0.00 N ATOM 1126 CA LYS B 10 6.044 -10.194 -15.630 1.00 0.00 C ATOM 1127 C LYS B 10 4.938 -11.268 -15.645 1.00 0.00 C ATOM 1128 O LYS B 10 4.470 -11.683 -16.707 1.00 0.00 O ATOM 1129 CB LYS B 10 7.468 -10.849 -15.664 1.00 0.00 C ATOM 1130 CG LYS B 10 7.814 -11.888 -14.561 1.00 0.00 C ATOM 1131 CD LYS B 10 8.106 -11.254 -13.186 1.00 0.00 C ATOM 1132 CE LYS B 10 9.338 -10.332 -13.168 1.00 0.00 C ATOM 1133 NZ LYS B 10 9.474 -9.635 -11.862 1.00 0.00 N ATOM 0 H LYS B 10 6.719 -9.152 -13.922 1.00 0.00 H new ATOM 0 HA LYS B 10 5.941 -9.603 -16.540 1.00 0.00 H new ATOM 0 HB2 LYS B 10 7.590 -11.335 -16.632 1.00 0.00 H new ATOM 0 HB3 LYS B 10 8.206 -10.049 -15.614 1.00 0.00 H new ATOM 0 HG2 LYS B 10 6.985 -12.588 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.683 -12.466 -14.877 1.00 0.00 H new ATOM 0 HD2 LYS B 10 7.234 -10.683 -12.869 1.00 0.00 H new ATOM 0 HD3 LYS B 10 8.250 -12.049 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS B 10 10.236 -10.918 -13.365 1.00 0.00 H new ATOM 0 HE3 LYS B 10 9.256 -9.596 -13.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 10.035 -8.768 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 8.531 -9.388 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 9.952 -10.261 -11.183 1.00 0.00 H new ATOM 1147 N ALA B 11 4.495 -11.666 -14.436 1.00 0.00 N ATOM 1148 CA ALA B 11 3.335 -12.567 -14.229 1.00 0.00 C ATOM 1149 C ALA B 11 1.970 -11.916 -14.636 1.00 0.00 C ATOM 1150 O ALA B 11 0.905 -12.511 -14.431 1.00 0.00 O ATOM 1151 CB ALA B 11 3.305 -13.012 -12.758 1.00 0.00 C ATOM 0 H ALA B 11 4.934 -11.370 -13.564 1.00 0.00 H new ATOM 0 HA ALA B 11 3.463 -13.429 -14.884 1.00 0.00 H new ATOM 0 HB1 ALA B 11 2.455 -13.675 -12.596 1.00 0.00 H new ATOM 0 HB2 ALA B 11 4.228 -13.540 -12.519 1.00 0.00 H new ATOM 0 HB3 ALA B 11 3.210 -12.137 -12.115 1.00 0.00 H new ATOM 1157 N GLY B 12 2.026 -10.709 -15.233 1.00 0.00 N ATOM 1158 CA GLY B 12 0.863 -9.912 -15.613 1.00 0.00 C ATOM 1159 C GLY B 12 0.146 -9.302 -14.426 1.00 0.00 C ATOM 1160 O GLY B 12 -0.993 -8.847 -14.561 1.00 0.00 O ATOM 0 H GLY B 12 2.910 -10.257 -15.467 1.00 0.00 H new ATOM 0 HA2 GLY B 12 1.180 -9.116 -16.286 1.00 0.00 H new ATOM 0 HA3 GLY B 12 0.166 -10.540 -16.168 1.00 0.00 H new ATOM 1164 N GLU B 13 0.835 -9.250 -13.268 1.00 0.00 N ATOM 1165 CA GLU B 13 0.195 -8.879 -11.988 1.00 0.00 C ATOM 1166 C GLU B 13 0.425 -7.394 -11.705 1.00 0.00 C ATOM 1167 O GLU B 13 1.521 -7.007 -11.294 1.00 0.00 O ATOM 1168 CB GLU B 13 0.707 -9.753 -10.808 1.00 0.00 C ATOM 1169 CG GLU B 13 -0.071 -9.499 -9.490 1.00 0.00 C ATOM 1170 CD GLU B 13 0.284 -10.467 -8.355 1.00 0.00 C ATOM 1171 OE1 GLU B 13 0.033 -11.681 -8.506 1.00 0.00 O ATOM 1172 OE2 GLU B 13 0.795 -10.028 -7.304 1.00 0.00 O ATOM 0 H GLU B 13 1.830 -9.459 -13.192 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.875 -9.065 -12.080 1.00 0.00 H new ATOM 0 HB2 GLU B 13 0.622 -10.806 -11.078 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.765 -9.551 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.123 -8.479 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -1.140 -9.570 -9.692 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.591 -6.573 -12.016 1.00 0.00 N ATOM 1180 CA TYR B 14 -0.576 -5.126 -11.762 1.00 0.00 C ATOM 1181 C TYR B 14 -0.215 -4.780 -10.302 1.00 0.00 C ATOM 1182 O TYR B 14 -0.937 -5.113 -9.353 1.00 0.00 O ATOM 1183 CB TYR B 14 -1.914 -4.476 -12.200 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.132 -4.540 -13.726 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.714 -5.657 -14.333 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -1.728 -3.493 -14.557 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -2.888 -5.718 -15.699 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -1.901 -3.556 -15.927 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.482 -4.668 -16.491 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.657 -4.737 -17.855 1.00 0.00 O ATOM 0 H TYR B 14 -1.452 -6.899 -12.454 1.00 0.00 H new ATOM 0 HA TYR B 14 0.220 -4.701 -12.373 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -2.740 -4.979 -11.697 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -1.931 -3.435 -11.877 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -3.033 -6.487 -13.720 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -1.271 -2.617 -14.121 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -3.343 -6.589 -16.148 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -1.581 -2.735 -16.552 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.319 -3.916 -18.270 1.00 0.00 H new ATOM 1200 N ARG B 15 0.950 -4.125 -10.184 1.00 0.00 N ATOM 1201 CA ARG B 15 1.545 -3.681 -8.925 1.00 0.00 C ATOM 1202 C ARG B 15 1.930 -2.205 -9.041 1.00 0.00 C ATOM 1203 O ARG B 15 2.536 -1.798 -10.030 1.00 0.00 O ATOM 1204 CB ARG B 15 2.783 -4.557 -8.589 1.00 0.00 C ATOM 1205 CG ARG B 15 2.418 -6.032 -8.292 1.00 0.00 C ATOM 1206 CD ARG B 15 3.619 -6.970 -8.388 1.00 0.00 C ATOM 1207 NE ARG B 15 3.257 -8.367 -8.061 1.00 0.00 N ATOM 1208 CZ ARG B 15 4.109 -9.410 -7.997 1.00 0.00 C ATOM 1209 NH1 ARG B 15 5.407 -9.256 -8.225 1.00 0.00 N ATOM 1210 NH2 ARG B 15 3.645 -10.618 -7.719 1.00 0.00 N ATOM 0 H ARG B 15 1.520 -3.884 -10.995 1.00 0.00 H new ATOM 0 HA ARG B 15 0.824 -3.790 -8.115 1.00 0.00 H new ATOM 0 HB2 ARG B 15 3.483 -4.523 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG B 15 3.296 -4.135 -7.725 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.988 -6.101 -7.293 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.650 -6.360 -8.993 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.032 -6.929 -9.396 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.401 -6.629 -7.709 1.00 0.00 H new ATOM 0 HE ARG B 15 2.274 -8.558 -7.866 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.779 -8.334 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG B 15 6.033 -10.059 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.648 -10.756 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.285 -11.411 -7.669 1.00 0.00 H new ATOM 1224 N PHE B 16 1.599 -1.403 -8.020 1.00 0.00 N ATOM 1225 CA PHE B 16 2.066 -0.020 -7.916 1.00 0.00 C ATOM 1226 C PHE B 16 2.903 0.149 -6.653 1.00 0.00 C ATOM 1227 O PHE B 16 2.901 -0.709 -5.753 1.00 0.00 O ATOM 1228 CB PHE B 16 0.901 1.021 -7.979 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.128 1.013 -6.837 1.00 0.00 C ATOM 1230 CD1 PHE B 16 0.124 1.657 -5.622 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.372 0.409 -7.004 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.826 1.680 -4.616 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.324 0.443 -6.001 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.050 1.078 -4.808 1.00 0.00 C ATOM 0 H PHE B 16 1.002 -1.696 -7.247 1.00 0.00 H new ATOM 0 HA PHE B 16 2.691 0.184 -8.786 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.343 2.016 -8.025 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.364 0.867 -8.915 1.00 0.00 H new ATOM 0 HD1 PHE B 16 1.075 2.144 -5.466 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.597 -0.095 -7.933 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.607 2.171 -3.679 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.284 -0.029 -6.153 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.794 1.103 -4.025 1.00 0.00 H new ATOM 1244 N ARG B 17 3.643 1.253 -6.623 1.00 0.00 N ATOM 1245 CA ARG B 17 4.487 1.636 -5.494 1.00 0.00 C ATOM 1246 C ARG B 17 4.440 3.150 -5.276 1.00 0.00 C ATOM 1247 O ARG B 17 3.894 3.887 -6.102 1.00 0.00 O ATOM 1248 CB ARG B 17 5.947 1.161 -5.736 1.00 0.00 C ATOM 1249 CG ARG B 17 6.661 1.774 -6.951 1.00 0.00 C ATOM 1250 CD ARG B 17 8.114 1.281 -7.054 1.00 0.00 C ATOM 1251 NE ARG B 17 8.204 -0.193 -7.140 1.00 0.00 N ATOM 1252 CZ ARG B 17 9.264 -0.936 -6.770 1.00 0.00 C ATOM 1253 NH1 ARG B 17 10.365 -0.374 -6.285 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.221 -2.246 -6.904 1.00 0.00 N ATOM 0 H ARG B 17 3.674 1.919 -7.395 1.00 0.00 H new ATOM 0 HA ARG B 17 4.108 1.153 -4.593 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.533 1.384 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG B 17 5.941 0.077 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.121 1.514 -7.862 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.648 2.861 -6.872 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.583 1.723 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.675 1.627 -6.185 1.00 0.00 H new ATOM 0 HE ARG B 17 7.394 -0.689 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG B 17 10.419 0.640 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG B 17 11.156 -0.956 -6.011 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.387 -2.692 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG B 17 10.021 -2.814 -6.625 1.00 0.00 H new ATOM 1268 N PHE B 18 5.026 3.595 -4.156 1.00 0.00 N ATOM 1269 CA PHE B 18 5.207 5.019 -3.841 1.00 0.00 C ATOM 1270 C PHE B 18 6.690 5.247 -3.576 1.00 0.00 C ATOM 1271 O PHE B 18 7.351 4.445 -2.888 1.00 0.00 O ATOM 1272 CB PHE B 18 4.347 5.447 -2.626 1.00 0.00 C ATOM 1273 CG PHE B 18 4.424 6.920 -2.236 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.369 7.923 -3.201 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.521 7.295 -0.902 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.425 9.248 -2.842 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.575 8.618 -0.540 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.529 9.596 -1.509 1.00 0.00 C ATOM 0 H PHE B 18 5.391 2.971 -3.437 1.00 0.00 H new ATOM 0 HA PHE B 18 4.875 5.631 -4.680 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.306 5.202 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.646 4.848 -1.766 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.281 7.656 -4.244 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.554 6.533 -0.137 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.388 10.016 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.653 8.891 0.502 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.574 10.637 -1.226 1.00 0.00 H new ATOM 1288 N LYS B 19 7.204 6.323 -4.163 1.00 0.00 N ATOM 1289 CA LYS B 19 8.621 6.653 -4.160 1.00 0.00 C ATOM 1290 C LYS B 19 8.941 7.735 -3.120 1.00 0.00 C ATOM 1291 O LYS B 19 8.065 8.229 -2.399 1.00 0.00 O ATOM 1292 CB LYS B 19 9.015 7.110 -5.590 1.00 0.00 C ATOM 1293 CG LYS B 19 8.742 6.027 -6.660 1.00 0.00 C ATOM 1294 CD LYS B 19 9.568 4.746 -6.389 1.00 0.00 C ATOM 1295 CE LYS B 19 11.069 4.936 -6.674 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.355 4.932 -8.131 1.00 0.00 N ATOM 0 H LYS B 19 6.633 7.003 -4.664 1.00 0.00 H new ATOM 0 HA LYS B 19 9.203 5.774 -3.881 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.460 8.013 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.073 7.371 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.680 5.782 -6.669 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.988 6.418 -7.647 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.435 4.446 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.185 3.934 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.406 5.877 -6.239 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.635 4.140 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.365 4.739 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.786 4.195 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.114 5.860 -8.535 1.00 0.00 H new ATOM 1310 N ALA B 20 10.224 8.090 -3.084 1.00 0.00 N ATOM 1311 CA ALA B 20 10.793 9.113 -2.211 1.00 0.00 C ATOM 1312 C ALA B 20 11.655 10.041 -3.077 1.00 0.00 C ATOM 1313 O ALA B 20 12.092 9.630 -4.152 1.00 0.00 O ATOM 1314 CB ALA B 20 11.604 8.453 -1.080 1.00 0.00 C ATOM 0 H ALA B 20 10.923 7.655 -3.686 1.00 0.00 H new ATOM 0 HA ALA B 20 10.010 9.700 -1.731 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.024 9.225 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.951 7.806 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.412 7.860 -1.510 1.00 0.00 H new ATOM 1320 N SER B 21 11.843 11.291 -2.620 1.00 0.00 N ATOM 1321 CA SER B 21 12.573 12.362 -3.348 1.00 0.00 C ATOM 1322 C SER B 21 13.963 11.955 -3.932 1.00 0.00 C ATOM 1323 O SER B 21 14.421 12.557 -4.912 1.00 0.00 O ATOM 1324 CB SER B 21 12.720 13.587 -2.430 1.00 0.00 C ATOM 1325 OG SER B 21 11.455 13.991 -1.941 1.00 0.00 O ATOM 0 H SER B 21 11.487 11.599 -1.715 1.00 0.00 H new ATOM 0 HA SER B 21 11.965 12.589 -4.224 1.00 0.00 H new ATOM 0 HB2 SER B 21 13.380 13.348 -1.596 1.00 0.00 H new ATOM 0 HB3 SER B 21 13.184 14.407 -2.978 1.00 0.00 H new ATOM 0 HG SER B 21 11.564 14.770 -1.357 1.00 0.00 H new ATOM 1331 N ASN B 22 14.616 10.943 -3.339 1.00 0.00 N ATOM 1332 CA ASN B 22 15.960 10.462 -3.776 1.00 0.00 C ATOM 1333 C ASN B 22 15.876 9.187 -4.651 1.00 0.00 C ATOM 1334 O ASN B 22 16.894 8.556 -4.928 1.00 0.00 O ATOM 1335 CB ASN B 22 16.883 10.255 -2.547 1.00 0.00 C ATOM 1336 CG ASN B 22 16.370 9.256 -1.522 1.00 0.00 C ATOM 1337 OD1 ASN B 22 15.157 9.079 -1.329 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.285 8.598 -0.845 1.00 0.00 N ATOM 0 H ASN B 22 14.238 10.428 -2.544 1.00 0.00 H new ATOM 0 HA ASN B 22 16.397 11.234 -4.409 1.00 0.00 H new ATOM 0 HB2 ASN B 22 17.861 9.925 -2.897 1.00 0.00 H new ATOM 0 HB3 ASN B 22 17.029 11.216 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN B 22 17.006 7.919 -0.137 1.00 0.00 H new ATOM 0 HD22 ASN B 22 18.274 8.767 -1.028 1.00 0.00 H new ATOM 1345 N GLY B 23 14.663 8.855 -5.117 1.00 0.00 N ATOM 1346 CA GLY B 23 14.418 7.674 -5.962 1.00 0.00 C ATOM 1347 C GLY B 23 14.314 6.361 -5.192 1.00 0.00 C ATOM 1348 O GLY B 23 14.412 5.287 -5.795 1.00 0.00 O ATOM 0 H GLY B 23 13.822 9.398 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.495 7.827 -6.522 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.223 7.591 -6.692 1.00 0.00 H new ATOM 1352 N GLU B 24 14.107 6.447 -3.868 1.00 0.00 N ATOM 1353 CA GLU B 24 13.879 5.262 -3.007 1.00 0.00 C ATOM 1354 C GLU B 24 12.398 4.855 -3.034 1.00 0.00 C ATOM 1355 O GLU B 24 11.540 5.688 -3.278 1.00 0.00 O ATOM 1356 CB GLU B 24 14.322 5.545 -1.548 1.00 0.00 C ATOM 1357 CG GLU B 24 15.836 5.765 -1.375 1.00 0.00 C ATOM 1358 CD GLU B 24 16.692 4.573 -1.828 1.00 0.00 C ATOM 1359 OE1 GLU B 24 16.588 3.489 -1.210 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.468 4.704 -2.800 1.00 0.00 O ATOM 0 H GLU B 24 14.092 7.332 -3.361 1.00 0.00 H new ATOM 0 HA GLU B 24 14.480 4.441 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.795 6.428 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.014 4.710 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.132 6.649 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.046 5.973 -0.326 1.00 0.00 H new ATOM 1367 N THR B 25 12.117 3.562 -2.812 1.00 0.00 N ATOM 1368 CA THR B 25 10.746 3.044 -2.643 1.00 0.00 C ATOM 1369 C THR B 25 10.530 2.647 -1.171 1.00 0.00 C ATOM 1370 O THR B 25 11.465 2.207 -0.488 1.00 0.00 O ATOM 1371 CB THR B 25 10.483 1.814 -3.571 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.760 2.163 -4.929 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.042 1.277 -3.472 1.00 0.00 C ATOM 0 H THR B 25 12.836 2.841 -2.744 1.00 0.00 H new ATOM 0 HA THR B 25 10.044 3.829 -2.923 1.00 0.00 H new ATOM 0 HB THR B 25 11.149 1.021 -3.231 1.00 0.00 H new ATOM 0 HG1 THR B 25 11.648 1.830 -5.178 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.925 0.424 -4.140 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.839 0.966 -2.447 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.341 2.061 -3.758 1.00 0.00 H new ATOM 1381 N MET B 26 9.291 2.811 -0.708 1.00 0.00 N ATOM 1382 CA MET B 26 8.902 2.569 0.696 1.00 0.00 C ATOM 1383 C MET B 26 7.771 1.518 0.804 1.00 0.00 C ATOM 1384 O MET B 26 7.721 0.768 1.786 1.00 0.00 O ATOM 1385 CB MET B 26 8.559 3.925 1.362 1.00 0.00 C ATOM 1386 CG MET B 26 7.717 4.884 0.502 1.00 0.00 C ATOM 1387 SD MET B 26 6.080 4.255 0.102 1.00 0.00 S ATOM 1388 CE MET B 26 5.403 4.068 1.739 1.00 0.00 C ATOM 0 H MET B 26 8.516 3.118 -1.296 1.00 0.00 H new ATOM 0 HA MET B 26 9.737 2.132 1.243 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.023 3.730 2.291 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.490 4.425 1.630 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.613 5.833 1.029 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.253 5.091 -0.424 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.573 3.362 1.711 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.175 3.693 2.411 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.047 5.034 2.098 1.00 0.00 H new ATOM 1398 N PHE B 27 6.863 1.458 -0.190 1.00 0.00 N ATOM 1399 CA PHE B 27 5.904 0.335 -0.326 1.00 0.00 C ATOM 1400 C PHE B 27 5.723 -0.006 -1.805 1.00 0.00 C ATOM 1401 O PHE B 27 5.912 0.848 -2.671 1.00 0.00 O ATOM 1402 CB PHE B 27 4.510 0.598 0.372 1.00 0.00 C ATOM 1403 CG PHE B 27 3.408 1.253 -0.482 1.00 0.00 C ATOM 1404 CD1 PHE B 27 2.540 0.489 -1.270 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.245 2.625 -0.487 1.00 0.00 C ATOM 1406 CE1 PHE B 27 1.562 1.107 -2.032 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.279 3.240 -1.228 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.434 2.491 -2.014 1.00 0.00 C ATOM 0 H PHE B 27 6.771 2.172 -0.912 1.00 0.00 H new ATOM 0 HA PHE B 27 6.334 -0.516 0.202 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.131 -0.356 0.739 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.682 1.230 1.244 1.00 0.00 H new ATOM 0 HD1 PHE B 27 2.633 -0.587 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.905 3.231 0.116 1.00 0.00 H new ATOM 0 HE1 PHE B 27 0.898 0.512 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE B 27 2.177 4.315 -1.198 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.677 2.975 -2.613 1.00 0.00 H new ATOM 1418 N SER B 28 5.317 -1.253 -2.045 1.00 0.00 N ATOM 1419 CA SER B 28 5.003 -1.780 -3.379 1.00 0.00 C ATOM 1420 C SER B 28 4.028 -2.957 -3.274 1.00 0.00 C ATOM 1421 O SER B 28 3.616 -3.330 -2.179 1.00 0.00 O ATOM 1422 CB SER B 28 6.312 -2.227 -4.092 1.00 0.00 C ATOM 1423 OG SER B 28 7.016 -3.193 -3.331 1.00 0.00 O ATOM 0 H SER B 28 5.194 -1.942 -1.303 1.00 0.00 H new ATOM 0 HA SER B 28 4.530 -0.993 -3.966 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.071 -2.640 -5.072 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.950 -1.359 -4.260 1.00 0.00 H new ATOM 0 HG SER B 28 7.832 -3.454 -3.807 1.00 0.00 H new ATOM 1429 N SER B 29 3.617 -3.476 -4.438 1.00 0.00 N ATOM 1430 CA SER B 29 3.230 -4.893 -4.623 1.00 0.00 C ATOM 1431 C SER B 29 2.004 -5.320 -3.791 1.00 0.00 C ATOM 1432 O SER B 29 2.008 -6.368 -3.128 1.00 0.00 O ATOM 1433 CB SER B 29 4.468 -5.800 -4.366 1.00 0.00 C ATOM 1434 OG SER B 29 4.252 -7.141 -4.768 1.00 0.00 O ATOM 0 H SER B 29 3.541 -2.923 -5.292 1.00 0.00 H new ATOM 0 HA SER B 29 2.904 -5.014 -5.656 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.327 -5.397 -4.903 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.716 -5.778 -3.305 1.00 0.00 H new ATOM 0 HG SER B 29 3.431 -7.479 -4.352 1.00 0.00 H new ATOM 1440 N GLU B 30 0.949 -4.505 -3.869 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.373 -4.844 -3.312 1.00 0.00 C ATOM 1442 C GLU B 30 -1.024 -6.011 -4.087 1.00 0.00 C ATOM 1443 O GLU B 30 -1.580 -6.923 -3.461 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.328 -3.592 -3.233 1.00 0.00 C ATOM 1445 CG GLU B 30 -1.100 -2.455 -4.258 1.00 0.00 C ATOM 1446 CD GLU B 30 -1.074 -2.907 -5.723 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -2.140 -3.037 -6.357 1.00 0.00 O ATOM 1448 OE2 GLU B 30 0.028 -3.168 -6.229 1.00 0.00 O ATOM 0 H GLU B 30 0.982 -3.590 -4.319 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.212 -5.176 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -2.354 -3.944 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.243 -3.166 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -1.887 -1.711 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -0.156 -1.961 -4.028 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.927 -5.989 -5.437 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.559 -7.000 -6.277 1.00 0.00 C ATOM 1457 C GLY B 31 -3.076 -6.953 -6.147 1.00 0.00 C ATOM 1458 O GLY B 31 -3.710 -7.983 -5.870 1.00 0.00 O ATOM 0 H GLY B 31 -0.414 -5.276 -5.956 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.275 -6.842 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.197 -7.989 -5.995 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.663 -5.756 -6.359 1.00 0.00 N ATOM 1463 CA TYR B 32 -5.060 -5.480 -5.986 1.00 0.00 C ATOM 1464 C TYR B 32 -6.025 -6.161 -6.981 1.00 0.00 C ATOM 1465 O TYR B 32 -6.825 -7.023 -6.586 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.302 -3.942 -5.906 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.642 -3.524 -5.271 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -6.951 -3.881 -3.952 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.583 -2.761 -5.971 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -8.142 -3.499 -3.369 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -8.774 -2.380 -5.386 1.00 0.00 C ATOM 1472 CZ TYR B 32 -9.048 -2.751 -4.084 1.00 0.00 C ATOM 1473 OH TYR B 32 -10.240 -2.376 -3.500 1.00 0.00 O ATOM 0 H TYR B 32 -3.185 -4.964 -6.789 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.257 -5.898 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.491 -3.491 -5.335 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.250 -3.529 -6.913 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.245 -4.466 -3.381 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.374 -2.465 -6.988 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.363 -3.787 -2.352 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.489 -1.794 -5.944 1.00 0.00 H new ATOM 0 HH TYR B 32 -10.112 -2.269 -2.534 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.909 -5.802 -8.276 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.764 -6.367 -9.344 1.00 0.00 C ATOM 1485 C LYS B 33 -6.207 -6.019 -10.739 1.00 0.00 C ATOM 1486 O LYS B 33 -5.782 -6.905 -11.490 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.240 -5.864 -9.200 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.235 -6.404 -10.264 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.420 -7.941 -10.210 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.041 -8.425 -8.885 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.094 -9.909 -8.793 1.00 0.00 N ATOM 0 H LYS B 33 -5.228 -5.120 -8.610 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.760 -7.452 -9.237 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.606 -6.142 -8.211 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.241 -4.775 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.203 -5.924 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.882 -6.123 -11.256 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -10.055 -8.255 -11.039 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.452 -8.423 -10.349 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -9.461 -8.032 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -11.049 -8.021 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -10.519 -10.186 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -10.669 -10.285 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -9.130 -10.295 -8.856 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.204 -4.722 -11.062 1.00 0.00 N ATOM 1506 CA ALA B 34 -5.885 -4.215 -12.416 1.00 0.00 C ATOM 1507 C ALA B 34 -5.315 -2.801 -12.314 1.00 0.00 C ATOM 1508 O ALA B 34 -5.219 -2.270 -11.201 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.152 -4.235 -13.281 1.00 0.00 C ATOM 0 H ALA B 34 -6.423 -3.984 -10.393 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.136 -4.854 -12.884 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -6.918 -3.862 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.526 -5.256 -13.354 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -7.913 -3.601 -12.826 1.00 0.00 H new ATOM 1515 N LYS B 35 -4.934 -2.179 -13.459 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.401 -0.802 -13.458 1.00 0.00 C ATOM 1517 C LYS B 35 -5.504 0.218 -13.125 1.00 0.00 C ATOM 1518 O LYS B 35 -5.262 1.142 -12.373 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.696 -0.443 -14.794 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.552 -0.570 -16.067 1.00 0.00 C ATOM 1521 CD LYS B 35 -3.820 -0.022 -17.307 1.00 0.00 C ATOM 1522 CE LYS B 35 -4.573 -0.314 -18.612 1.00 0.00 C ATOM 1523 NZ LYS B 35 -4.699 -1.778 -18.872 1.00 0.00 N ATOM 0 H LYS B 35 -4.987 -2.608 -14.383 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.644 -0.755 -12.675 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.333 0.583 -14.726 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.821 -1.084 -14.903 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -4.808 -1.617 -16.230 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.489 -0.030 -15.930 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -3.688 1.055 -17.201 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -2.824 -0.461 -17.360 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.566 0.132 -18.564 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -4.051 0.158 -19.444 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -5.011 -1.931 -19.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -3.777 -2.237 -18.726 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -5.397 -2.188 -18.219 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.718 0.030 -13.679 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.886 0.884 -13.354 1.00 0.00 C ATOM 1539 C ALA B 36 -8.165 0.859 -11.843 1.00 0.00 C ATOM 1540 O ALA B 36 -8.385 1.900 -11.218 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.128 0.445 -14.150 1.00 0.00 C ATOM 0 H ALA B 36 -6.919 -0.706 -14.356 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.651 1.909 -13.642 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.970 1.087 -13.893 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.923 0.525 -15.218 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.371 -0.589 -13.904 1.00 0.00 H new ATOM 1547 N SER B 37 -8.072 -0.355 -11.272 1.00 0.00 N ATOM 1548 CA SER B 37 -8.239 -0.597 -9.833 1.00 0.00 C ATOM 1549 C SER B 37 -7.060 -0.005 -9.036 1.00 0.00 C ATOM 1550 O SER B 37 -7.223 0.377 -7.878 1.00 0.00 O ATOM 1551 CB SER B 37 -8.331 -2.117 -9.582 1.00 0.00 C ATOM 1552 OG SER B 37 -9.238 -2.738 -10.478 1.00 0.00 O ATOM 0 H SER B 37 -7.877 -1.203 -11.805 1.00 0.00 H new ATOM 0 HA SER B 37 -9.154 -0.110 -9.498 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.344 -2.566 -9.693 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.650 -2.299 -8.556 1.00 0.00 H new ATOM 0 HG SER B 37 -9.756 -3.419 -10.000 1.00 0.00 H new ATOM 1558 N ALA B 38 -5.876 0.047 -9.690 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.646 0.584 -9.104 1.00 0.00 C ATOM 1560 C ALA B 38 -4.767 2.102 -8.897 1.00 0.00 C ATOM 1561 O ALA B 38 -4.458 2.588 -7.820 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.421 0.241 -9.974 1.00 0.00 C ATOM 0 H ALA B 38 -5.757 -0.288 -10.646 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.501 0.116 -8.130 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.522 0.652 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.324 -0.842 -10.055 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.549 0.670 -10.968 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.214 2.844 -9.944 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.511 4.294 -9.840 1.00 0.00 C ATOM 1570 C ILE B 39 -6.529 4.568 -8.718 1.00 0.00 C ATOM 1571 O ILE B 39 -6.267 5.410 -7.868 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.027 4.924 -11.215 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.852 5.166 -12.226 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.822 6.245 -11.005 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.244 3.923 -12.839 1.00 0.00 C ATOM 0 H ILE B 39 -5.377 2.457 -10.874 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.567 4.782 -9.597 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.707 4.186 -11.640 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.216 5.804 -13.031 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.064 5.718 -11.713 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.149 6.630 -11.971 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.692 6.050 -10.378 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.182 6.981 -10.519 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.443 4.208 -13.521 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.841 3.288 -12.050 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.010 3.376 -13.388 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.666 3.831 -8.721 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.749 4.005 -7.720 1.00 0.00 C ATOM 1589 C HIS B 40 -8.224 3.797 -6.289 1.00 0.00 C ATOM 1590 O HIS B 40 -8.586 4.549 -5.358 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.948 3.059 -8.013 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.739 3.437 -9.244 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -11.222 4.706 -9.460 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -11.136 2.709 -10.317 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -11.878 4.743 -10.599 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.841 3.545 -11.143 1.00 0.00 N ATOM 0 H HIS B 40 -7.858 3.105 -9.411 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.106 5.032 -7.801 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.575 2.042 -8.131 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.615 3.056 -7.151 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -11.091 5.499 -8.832 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -10.934 1.662 -10.489 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -12.365 5.611 -11.018 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.339 2.797 -6.126 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.624 2.563 -4.875 1.00 0.00 C ATOM 1607 C ALA B 41 -5.819 3.811 -4.496 1.00 0.00 C ATOM 1608 O ALA B 41 -6.061 4.407 -3.461 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.723 1.320 -4.995 1.00 0.00 C ATOM 0 H ALA B 41 -7.105 2.132 -6.863 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.343 2.369 -4.079 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.197 1.160 -4.054 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.335 0.447 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -4.998 1.472 -5.794 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.931 4.242 -5.392 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.088 5.440 -5.202 1.00 0.00 C ATOM 1617 C ILE B 42 -4.936 6.703 -4.938 1.00 0.00 C ATOM 1618 O ILE B 42 -4.489 7.612 -4.241 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.159 5.641 -6.447 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.201 4.421 -6.592 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.359 6.962 -6.375 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.505 4.327 -7.921 1.00 0.00 C ATOM 0 H ILE B 42 -4.769 3.770 -6.282 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.470 5.281 -4.319 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.795 5.708 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.448 4.471 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.771 3.506 -6.430 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.730 7.055 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.050 7.804 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.732 6.960 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.859 3.449 -7.932 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.247 4.242 -8.715 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.903 5.222 -8.081 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.184 6.718 -5.434 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.096 7.847 -5.236 1.00 0.00 C ATOM 1636 C GLU B 43 -7.470 7.987 -3.758 1.00 0.00 C ATOM 1637 O GLU B 43 -7.640 9.106 -3.293 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.354 7.752 -6.128 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.093 8.047 -7.622 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.374 8.049 -8.467 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.126 9.046 -8.417 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.651 7.057 -9.164 1.00 0.00 O ATOM 0 H GLU B 43 -6.583 5.953 -5.978 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.566 8.748 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.777 6.752 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.103 8.451 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.602 9.016 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.404 7.301 -8.019 1.00 0.00 H new ATOM 1649 N SER B 44 -7.535 6.844 -3.027 1.00 0.00 N ATOM 1650 CA SER B 44 -7.652 6.844 -1.544 1.00 0.00 C ATOM 1651 C SER B 44 -6.547 7.680 -0.895 1.00 0.00 C ATOM 1652 O SER B 44 -6.788 8.393 0.096 1.00 0.00 O ATOM 1653 CB SER B 44 -7.545 5.409 -0.997 1.00 0.00 C ATOM 1654 OG SER B 44 -8.703 4.653 -1.308 1.00 0.00 O ATOM 0 H SER B 44 -7.508 5.911 -3.439 1.00 0.00 H new ATOM 0 HA SER B 44 -8.623 7.275 -1.301 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.666 4.921 -1.418 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.406 5.439 0.084 1.00 0.00 H new ATOM 0 HG SER B 44 -9.126 4.347 -0.479 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.332 7.576 -1.461 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.161 8.222 -0.893 1.00 0.00 C ATOM 1662 C ILE B 45 -4.272 9.739 -1.094 1.00 0.00 C ATOM 1663 O ILE B 45 -4.046 10.525 -0.163 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.782 7.715 -1.487 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.784 6.186 -1.812 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.680 8.016 -0.470 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.746 5.265 -0.610 1.00 0.00 C ATOM 0 H ILE B 45 -5.147 7.047 -2.313 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.151 7.958 0.164 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.611 8.237 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.676 5.957 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.924 5.965 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.721 7.674 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.636 9.090 -0.289 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.896 7.499 0.465 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.751 4.228 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.841 5.456 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.619 5.447 0.016 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.656 10.123 -2.327 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.783 11.540 -2.763 1.00 0.00 C ATOM 1681 C LYS B 46 -5.804 12.305 -1.913 1.00 0.00 C ATOM 1682 O LYS B 46 -5.697 13.520 -1.721 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.188 11.645 -4.275 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.553 10.598 -5.235 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.044 10.339 -5.000 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.168 11.558 -5.233 1.00 0.00 C ATOM 1687 NZ LYS B 46 -2.148 11.952 -6.661 1.00 0.00 N ATOM 0 H LYS B 46 -4.891 9.455 -3.061 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.801 11.992 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.272 11.559 -4.345 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -4.923 12.640 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.091 9.656 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.695 10.933 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.900 9.990 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.716 9.536 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.534 12.390 -4.631 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.152 11.346 -4.900 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.427 12.687 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.922 11.123 -7.247 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -3.081 12.324 -6.932 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.793 11.548 -1.440 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.911 12.062 -0.624 1.00 0.00 C ATOM 1703 C ARG B 47 -7.419 12.754 0.675 1.00 0.00 C ATOM 1704 O ARG B 47 -7.492 13.979 0.783 1.00 0.00 O ATOM 1705 CB ARG B 47 -8.913 10.924 -0.285 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.694 10.361 -1.479 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.635 11.379 -2.120 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.669 11.822 -1.184 1.00 0.00 N ATOM 1709 CZ ARG B 47 -12.658 12.676 -1.466 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -12.833 13.148 -2.696 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -13.477 13.038 -0.497 1.00 0.00 N ATOM 0 H ARG B 47 -6.848 10.544 -1.611 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.422 12.817 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.365 10.108 0.187 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.625 11.297 0.451 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.989 10.005 -2.230 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.273 9.498 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.061 12.240 -2.463 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.104 10.938 -2.999 1.00 0.00 H new ATOM 0 HE ARG B 47 -11.632 11.447 -0.236 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -12.206 12.859 -3.447 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -13.594 13.799 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.348 12.667 0.445 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -14.239 13.689 -0.689 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.893 11.960 1.638 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.574 12.454 3.013 1.00 0.00 C ATOM 1727 C ASN B 48 -5.495 11.586 3.703 1.00 0.00 C ATOM 1728 O ASN B 48 -5.325 11.687 4.917 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.853 12.492 3.929 1.00 0.00 C ATOM 1730 CG ASN B 48 -8.871 13.593 3.630 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -8.516 14.707 3.265 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -10.150 13.284 3.782 1.00 0.00 N ATOM 0 H ASN B 48 -6.678 10.973 1.495 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.190 13.466 2.886 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.358 11.529 3.851 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.529 12.598 4.964 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -10.869 13.982 3.594 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -10.416 12.348 4.087 1.00 0.00 H new ATOM 1739 N SER B 49 -4.763 10.754 2.944 1.00 0.00 N ATOM 1740 CA SER B 49 -3.845 9.752 3.535 1.00 0.00 C ATOM 1741 C SER B 49 -2.651 10.388 4.270 1.00 0.00 C ATOM 1742 O SER B 49 -2.143 9.827 5.250 1.00 0.00 O ATOM 1743 CB SER B 49 -3.334 8.811 2.462 1.00 0.00 C ATOM 1744 OG SER B 49 -2.662 7.703 3.015 1.00 0.00 O ATOM 0 H SER B 49 -4.785 10.751 1.924 1.00 0.00 H new ATOM 0 HA SER B 49 -4.425 9.201 4.275 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.170 8.463 1.855 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.660 9.350 1.797 1.00 0.00 H new ATOM 0 HG SER B 49 -3.302 6.977 3.172 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.199 11.549 3.775 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.187 12.369 4.459 1.00 0.00 C ATOM 1752 C ALA B 50 -1.666 12.827 5.860 1.00 0.00 C ATOM 1753 O ALA B 50 -0.858 12.980 6.783 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.798 13.559 3.576 1.00 0.00 C ATOM 0 H ALA B 50 -2.523 11.946 2.893 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.301 11.755 4.623 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.048 14.162 4.088 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.389 13.195 2.634 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.680 14.168 3.377 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.991 13.027 5.997 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.616 13.377 7.279 1.00 0.00 C ATOM 1762 C GLY B 51 -4.290 12.199 7.985 1.00 0.00 C ATOM 1763 O GLY B 51 -4.865 12.384 9.065 1.00 0.00 O ATOM 0 H GLY B 51 -3.652 12.950 5.224 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.857 13.797 7.939 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.357 14.158 7.109 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.230 10.993 7.371 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.763 9.741 7.958 1.00 0.00 C ATOM 1769 C ALA B 52 -4.005 9.357 9.240 1.00 0.00 C ATOM 1770 O ALA B 52 -2.942 9.901 9.519 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.686 8.596 6.930 1.00 0.00 C ATOM 0 H ALA B 52 -3.809 10.861 6.451 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.806 9.912 8.224 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.081 7.682 7.373 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.275 8.856 6.051 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.648 8.439 6.638 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.566 8.435 10.031 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.895 7.936 11.247 1.00 0.00 C ATOM 1779 C ASP B 53 -3.022 6.716 10.891 1.00 0.00 C ATOM 1780 O ASP B 53 -3.175 6.124 9.819 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.935 7.585 12.342 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.300 7.415 13.739 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -4.020 8.440 14.400 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.055 6.273 14.170 1.00 0.00 O ATOM 0 H ASP B 53 -5.480 8.018 9.856 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.251 8.718 11.648 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.690 8.370 12.384 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.448 6.664 12.067 1.00 0.00 H new ATOM 1789 N THR B 54 -2.065 6.387 11.759 1.00 0.00 N ATOM 1790 CA THR B 54 -1.215 5.201 11.602 1.00 0.00 C ATOM 1791 C THR B 54 -1.373 4.275 12.833 1.00 0.00 C ATOM 1792 O THR B 54 -0.787 4.513 13.892 1.00 0.00 O ATOM 1793 CB THR B 54 0.261 5.651 11.374 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.298 6.604 10.292 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.201 4.484 11.041 1.00 0.00 C ATOM 0 H THR B 54 -1.855 6.935 12.593 1.00 0.00 H new ATOM 0 HA THR B 54 -1.521 4.625 10.729 1.00 0.00 H new ATOM 0 HB THR B 54 0.611 6.092 12.307 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.222 6.894 10.143 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.213 4.862 10.894 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.197 3.768 11.863 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.861 3.992 10.130 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.210 3.239 12.653 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.596 2.265 13.698 1.00 0.00 C ATOM 1805 C VAL B 55 -1.775 0.972 13.548 1.00 0.00 C ATOM 1806 O VAL B 55 -1.736 0.387 12.463 1.00 0.00 O ATOM 1807 CB VAL B 55 -4.135 1.922 13.585 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.564 0.769 14.532 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.993 3.180 13.832 1.00 0.00 C ATOM 0 H VAL B 55 -2.651 3.047 11.753 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.396 2.709 14.673 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.306 1.571 12.567 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.630 0.577 14.412 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -4.003 -0.132 14.285 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.361 1.052 15.565 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -6.049 2.922 13.750 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.791 3.568 14.830 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.746 3.940 13.091 1.00 0.00 H new ATOM 1819 N ASP B 56 -1.133 0.539 14.641 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.342 -0.704 14.680 1.00 0.00 C ATOM 1821 C ASP B 56 -1.076 -1.781 15.508 1.00 0.00 C ATOM 1822 O ASP B 56 -1.402 -1.560 16.672 1.00 0.00 O ATOM 1823 CB ASP B 56 1.053 -0.413 15.274 1.00 0.00 C ATOM 1824 CG ASP B 56 2.018 -1.602 15.165 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.868 -2.587 15.918 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.931 -1.554 14.334 1.00 0.00 O ATOM 0 H ASP B 56 -1.146 1.041 15.529 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.219 -1.083 13.666 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.486 0.446 14.762 1.00 0.00 H new ATOM 0 HB3 ASP B 56 0.944 -0.137 16.323 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.345 -2.926 14.870 1.00 0.00 N ATOM 1832 CA LEU B 57 -1.997 -4.103 15.489 1.00 0.00 C ATOM 1833 C LEU B 57 -0.984 -5.212 15.876 1.00 0.00 C ATOM 1834 O LEU B 57 -1.330 -6.105 16.656 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.058 -4.726 14.515 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.188 -3.792 13.955 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.902 -3.018 15.076 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -3.668 -2.845 12.858 1.00 0.00 C ATOM 0 H LEU B 57 -1.113 -3.071 13.887 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.477 -3.738 16.397 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.522 -5.148 13.664 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.538 -5.556 15.033 1.00 0.00 H new ATOM 0 HG LEU B 57 -4.928 -4.444 13.490 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.676 -2.384 14.644 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -5.357 -3.723 15.772 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -4.180 -2.398 15.607 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -4.485 -2.218 12.501 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -2.879 -2.214 13.266 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -3.272 -3.431 12.029 1.00 0.00 H new ATOM 1850 N THR B 58 0.253 -5.174 15.338 1.00 0.00 N ATOM 1851 CA THR B 58 1.209 -6.300 15.488 1.00 0.00 C ATOM 1852 C THR B 58 2.000 -6.229 16.804 1.00 0.00 C ATOM 1853 O THR B 58 2.591 -7.230 17.222 1.00 0.00 O ATOM 1854 CB THR B 58 2.182 -6.425 14.259 1.00 0.00 C ATOM 1855 OG1 THR B 58 3.118 -7.492 14.443 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.937 -5.131 13.943 1.00 0.00 C ATOM 0 H THR B 58 0.614 -4.386 14.800 1.00 0.00 H new ATOM 0 HA THR B 58 0.599 -7.203 15.521 1.00 0.00 H new ATOM 0 HB THR B 58 1.541 -6.642 13.405 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.094 -7.791 15.376 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.589 -5.291 13.084 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.223 -4.340 13.714 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.537 -4.840 14.805 1.00 0.00 H new ATOM 1864 N THR B 59 1.978 -5.069 17.480 1.00 0.00 N ATOM 1865 CA THR B 59 2.736 -4.856 18.732 1.00 0.00 C ATOM 1866 C THR B 59 1.806 -4.298 19.829 1.00 0.00 C ATOM 1867 O THR B 59 2.098 -4.429 21.024 1.00 0.00 O ATOM 1868 CB THR B 59 3.974 -3.904 18.525 1.00 0.00 C ATOM 1869 OG1 THR B 59 3.559 -2.550 18.269 1.00 0.00 O ATOM 1870 CG2 THR B 59 4.882 -4.377 17.366 1.00 0.00 C ATOM 0 H THR B 59 1.440 -4.256 17.180 1.00 0.00 H new ATOM 0 HA THR B 59 3.124 -5.825 19.046 1.00 0.00 H new ATOM 0 HB THR B 59 4.543 -3.940 19.454 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.984 -2.528 17.475 1.00 0.00 H new ATOM 0 HG21 THR B 59 5.723 -3.691 17.259 1.00 0.00 H new ATOM 0 HG22 THR B 59 5.255 -5.378 17.582 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.309 -4.395 16.439 1.00 0.00 H new