USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 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 66 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -0.0179 X(o=-0.2,f=-0.56) USER MOD Set 2.2: A 98 SER OG : rot 180:sc= -0.177 USER MOD Set 3.1: A 24 ASN : amide:sc= -6.81! C(o=-6.6!,f=-6.3!) USER MOD Set 3.2: A 26 HIS : no HD1:sc= -0.225! K(o=-6.6!,f=-14) USER MOD Set 3.3: A 36 THR OG1 : rot 11:sc= -0.545 USER MOD Set 3.4: A 88 THR OG1 : rot -91:sc= 0.944 USER MOD Set 3.5: A 95 THR OG1 : rot 130:sc= 0.00669 USER MOD Set 4.1: A 23 CYS SG : rot -150:sc= 0.945 USER MOD Set 4.2: A 25 HIS : no HD1:sc= -0.908 X(o=1.2,f=0.91) USER MOD Set 4.3: A 64 ASN : amide:sc= 0.0227 K(o=1.2,f=-6.5!) USER MOD Set 4.4: A 70 CYS SG : rot 21:sc= 1.13 USER MOD Set 4.5: A 87 SER OG : rot 170:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0.831 (180deg=0.747) USER MOD Single : A 54 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.34) USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 1.27 (180deg=1.04) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= -0.136 (180deg=-0.409) USER MOD Single : A 69 HIS : no HD1:sc= -0.528 K(o=-0.53,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0391 USER MOD Single : A 77 ASN : amide:sc= -3.25! K(o=-3.3!,f=-1) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0167 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 20.112 -0.016 -3.166 1.00 0.00 N ATOM 2 CA SER A 19 19.852 1.282 -2.520 1.00 0.00 C ATOM 3 C SER A 19 18.367 1.605 -2.601 1.00 0.00 C ATOM 4 O SER A 19 17.688 1.681 -1.575 1.00 0.00 O ATOM 5 CB SER A 19 20.677 2.381 -3.195 1.00 0.00 C ATOM 6 OG SER A 19 20.725 3.553 -2.399 1.00 0.00 O ATOM 0 HA SER A 19 20.145 1.227 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 19 21.689 2.020 -3.375 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.245 2.617 -4.168 1.00 0.00 H new ATOM 0 HG SER A 19 21.260 4.236 -2.855 1.00 0.00 H new ATOM 14 N PHE A 20 17.857 1.786 -3.817 1.00 0.00 N ATOM 15 CA PHE A 20 16.431 2.002 -4.003 1.00 0.00 C ATOM 16 C PHE A 20 15.736 0.667 -4.193 1.00 0.00 C ATOM 17 O PHE A 20 16.308 -0.267 -4.755 1.00 0.00 O ATOM 18 CB PHE A 20 16.136 2.943 -5.185 1.00 0.00 C ATOM 19 CG PHE A 20 16.559 2.427 -6.536 1.00 0.00 C ATOM 20 CD1 PHE A 20 15.713 1.619 -7.283 1.00 0.00 C ATOM 21 CD2 PHE A 20 17.794 2.761 -7.064 1.00 0.00 C ATOM 22 CE1 PHE A 20 16.093 1.153 -8.526 1.00 0.00 C ATOM 23 CE2 PHE A 20 18.180 2.296 -8.308 1.00 0.00 C ATOM 24 CZ PHE A 20 17.329 1.491 -9.039 1.00 0.00 C ATOM 0 H PHE A 20 18.405 1.787 -4.677 1.00 0.00 H new ATOM 0 HA PHE A 20 16.044 2.490 -3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 20 15.065 3.145 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.636 3.895 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.745 1.351 -6.887 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.464 3.392 -6.498 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.424 0.525 -9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 20 19.147 2.563 -8.708 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.630 1.127 -10.010 1.00 0.00 H new ATOM 34 N VAL A 21 14.515 0.577 -3.705 1.00 0.00 N ATOM 35 CA VAL A 21 13.775 -0.672 -3.736 1.00 0.00 C ATOM 36 C VAL A 21 12.282 -0.428 -3.938 1.00 0.00 C ATOM 37 O VAL A 21 11.715 0.529 -3.407 1.00 0.00 O ATOM 38 CB VAL A 21 14.028 -1.482 -2.441 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.894 -0.583 -1.232 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.082 -2.667 -2.318 1.00 0.00 C ATOM 0 H VAL A 21 14.011 1.356 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 21 14.132 -1.254 -4.586 1.00 0.00 H new ATOM 0 HB VAL A 21 15.043 -1.875 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.074 -1.162 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.623 0.225 -1.297 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.889 -0.163 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.294 -3.208 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.052 -2.310 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.221 -3.333 -3.169 1.00 0.00 H new ATOM 50 N GLN A 22 11.663 -1.274 -4.746 1.00 0.00 N ATOM 51 CA GLN A 22 10.222 -1.233 -4.940 1.00 0.00 C ATOM 52 C GLN A 22 9.571 -2.380 -4.179 1.00 0.00 C ATOM 53 O GLN A 22 10.179 -3.438 -4.003 1.00 0.00 O ATOM 54 CB GLN A 22 9.871 -1.322 -6.426 1.00 0.00 C ATOM 55 CG GLN A 22 10.327 -2.612 -7.085 1.00 0.00 C ATOM 56 CD GLN A 22 9.662 -2.842 -8.421 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.149 -2.389 -9.459 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.548 -3.558 -8.404 1.00 0.00 N ATOM 0 H GLN A 22 12.139 -2.001 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 22 9.845 -0.284 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.791 -1.227 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.323 -0.478 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 22 11.408 -2.585 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 22 10.109 -3.451 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.183 -3.912 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.055 -3.755 -9.275 1.00 0.00 H new ATOM 67 N CYS A 23 8.342 -2.184 -3.733 1.00 0.00 N ATOM 68 CA CYS A 23 7.670 -3.190 -2.929 1.00 0.00 C ATOM 69 C CYS A 23 6.158 -3.078 -3.050 1.00 0.00 C ATOM 70 O CYS A 23 5.619 -2.023 -3.377 1.00 0.00 O ATOM 71 CB CYS A 23 8.092 -3.045 -1.465 1.00 0.00 C ATOM 72 SG CYS A 23 7.927 -1.367 -0.813 1.00 0.00 S ATOM 0 H CYS A 23 7.792 -1.344 -3.912 1.00 0.00 H new ATOM 0 HA CYS A 23 7.962 -4.173 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.491 -3.721 -0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.130 -3.362 -1.364 1.00 0.00 H new ATOM 0 HG CYS A 23 8.822 -1.170 0.109 1.00 0.00 H new ATOM 78 N ASN A 24 5.474 -4.180 -2.801 1.00 0.00 N ATOM 79 CA ASN A 24 4.023 -4.180 -2.787 1.00 0.00 C ATOM 80 C ASN A 24 3.528 -3.560 -1.492 1.00 0.00 C ATOM 81 O ASN A 24 3.682 -4.135 -0.417 1.00 0.00 O ATOM 82 CB ASN A 24 3.464 -5.600 -2.963 1.00 0.00 C ATOM 83 CG ASN A 24 4.293 -6.657 -2.257 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.096 -6.943 -1.076 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.218 -7.261 -2.990 1.00 0.00 N ATOM 0 H ASN A 24 5.900 -5.086 -2.606 1.00 0.00 H new ATOM 0 HA ASN A 24 3.665 -3.585 -3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.443 -5.632 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.415 -5.836 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.798 -7.992 -2.578 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.350 -6.995 -3.966 1.00 0.00 H new ATOM 92 N HIS A 25 2.968 -2.364 -1.598 1.00 0.00 N ATOM 93 CA HIS A 25 2.455 -1.653 -0.435 1.00 0.00 C ATOM 94 C HIS A 25 1.126 -2.266 -0.030 1.00 0.00 C ATOM 95 O HIS A 25 0.184 -2.280 -0.819 1.00 0.00 O ATOM 96 CB HIS A 25 2.271 -0.159 -0.739 1.00 0.00 C ATOM 97 CG HIS A 25 3.533 0.575 -1.104 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.706 -0.048 -1.468 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.792 1.904 -1.157 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.625 0.861 -1.736 1.00 0.00 C ATOM 101 NE2 HIS A 25 5.099 2.058 -1.557 1.00 0.00 N ATOM 0 H HIS A 25 2.857 -1.864 -2.480 1.00 0.00 H new ATOM 0 HA HIS A 25 3.173 -1.743 0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.558 -0.055 -1.557 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.828 0.322 0.133 1.00 0.00 H new ATOM 0 HD2 HIS A 25 3.098 2.699 -0.927 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.639 0.659 -2.050 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.580 2.947 -1.692 1.00 0.00 H new ATOM 110 N HIS A 26 1.055 -2.798 1.176 1.00 0.00 N ATOM 111 CA HIS A 26 -0.140 -3.503 1.621 1.00 0.00 C ATOM 112 C HIS A 26 -1.140 -2.556 2.259 1.00 0.00 C ATOM 113 O HIS A 26 -0.804 -1.805 3.173 1.00 0.00 O ATOM 114 CB HIS A 26 0.206 -4.613 2.620 1.00 0.00 C ATOM 115 CG HIS A 26 0.834 -5.823 2.002 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.332 -7.096 2.165 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.936 -5.955 1.231 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.097 -7.952 1.519 1.00 0.00 C ATOM 119 NE2 HIS A 26 2.079 -7.287 0.945 1.00 0.00 N ATOM 0 H HIS A 26 1.806 -2.758 1.865 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.589 -3.948 0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.884 -4.210 3.373 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.704 -4.915 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.585 -5.157 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.945 -9.020 1.468 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.823 -7.697 0.381 1.00 0.00 H new ATOM 128 N LEU A 27 -2.363 -2.592 1.759 1.00 0.00 N ATOM 129 CA LEU A 27 -3.476 -1.924 2.404 1.00 0.00 C ATOM 130 C LEU A 27 -4.253 -2.982 3.183 1.00 0.00 C ATOM 131 O LEU A 27 -4.717 -3.977 2.609 1.00 0.00 O ATOM 132 CB LEU A 27 -4.375 -1.242 1.359 1.00 0.00 C ATOM 133 CG LEU A 27 -5.261 -0.090 1.866 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.298 -0.583 2.862 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.409 1.005 2.490 1.00 0.00 C ATOM 0 H LEU A 27 -2.610 -3.083 0.899 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.119 -1.145 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.740 -0.859 0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.021 -2.001 0.917 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.790 0.322 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.906 0.256 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.937 -1.325 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.795 -1.034 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.053 1.811 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.848 0.595 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.715 1.395 1.745 1.00 0.00 H new ATOM 147 N LEU A 28 -4.370 -2.784 4.480 1.00 0.00 N ATOM 148 CA LEU A 28 -4.980 -3.767 5.352 1.00 0.00 C ATOM 149 C LEU A 28 -6.368 -3.333 5.796 1.00 0.00 C ATOM 150 O LEU A 28 -6.573 -2.214 6.270 1.00 0.00 O ATOM 151 CB LEU A 28 -4.091 -4.018 6.572 1.00 0.00 C ATOM 152 CG LEU A 28 -3.382 -5.371 6.590 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.394 -6.501 6.514 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.402 -5.466 5.438 1.00 0.00 C ATOM 0 H LEU A 28 -4.047 -1.942 4.957 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.083 -4.694 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.339 -3.231 6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.702 -3.933 7.471 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.831 -5.461 7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.872 -7.458 6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.069 -6.443 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.968 -6.414 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.904 -6.435 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.938 -5.357 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.659 -4.674 5.526 1.00 0.00 H new ATOM 166 N TYR A 29 -7.316 -4.234 5.643 1.00 0.00 N ATOM 167 CA TYR A 29 -8.680 -3.983 6.057 1.00 0.00 C ATOM 168 C TYR A 29 -8.966 -4.791 7.310 1.00 0.00 C ATOM 169 O TYR A 29 -8.343 -5.828 7.530 1.00 0.00 O ATOM 170 CB TYR A 29 -9.650 -4.371 4.936 1.00 0.00 C ATOM 171 CG TYR A 29 -11.105 -4.105 5.258 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.574 -2.806 5.413 1.00 0.00 C ATOM 173 CD2 TYR A 29 -12.008 -5.151 5.403 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.900 -2.559 5.706 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.336 -4.911 5.696 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.776 -3.614 5.847 1.00 0.00 C ATOM 177 OH TYR A 29 -15.097 -3.370 6.140 1.00 0.00 O ATOM 0 H TYR A 29 -7.164 -5.155 5.231 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.814 -2.922 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.383 -3.822 4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.526 -5.431 4.714 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.890 -1.977 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.666 -6.168 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.250 -1.544 5.824 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -14.026 -5.735 5.806 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.580 -4.220 6.205 1.00 0.00 H new ATOM 187 N ASN A 30 -9.868 -4.291 8.146 1.00 0.00 N ATOM 188 CA ASN A 30 -10.294 -5.018 9.338 1.00 0.00 C ATOM 189 C ASN A 30 -10.804 -6.406 8.954 1.00 0.00 C ATOM 190 O ASN A 30 -11.939 -6.557 8.500 1.00 0.00 O ATOM 191 CB ASN A 30 -11.392 -4.239 10.072 1.00 0.00 C ATOM 192 CG ASN A 30 -11.926 -4.977 11.289 1.00 0.00 C ATOM 193 OD1 ASN A 30 -11.196 -5.709 11.956 1.00 0.00 O ATOM 194 ND2 ASN A 30 -13.207 -4.799 11.579 1.00 0.00 N ATOM 0 H ASN A 30 -10.319 -3.385 8.021 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.438 -5.128 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.998 -3.272 10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.213 -4.042 9.383 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.620 -5.277 12.380 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.780 -4.184 11.002 1.00 0.00 H new ATOM 201 N GLY A 31 -9.956 -7.409 9.134 1.00 0.00 N ATOM 202 CA GLY A 31 -10.298 -8.754 8.729 1.00 0.00 C ATOM 203 C GLY A 31 -9.129 -9.463 8.075 1.00 0.00 C ATOM 204 O GLY A 31 -8.771 -10.570 8.481 1.00 0.00 O ATOM 0 H GLY A 31 -9.032 -7.312 9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.626 -9.322 9.599 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.137 -8.721 8.034 1.00 0.00 H new ATOM 208 N ARG A 32 -8.524 -8.814 7.074 1.00 0.00 N ATOM 209 CA ARG A 32 -7.392 -9.383 6.339 1.00 0.00 C ATOM 210 C ARG A 32 -6.973 -8.444 5.198 1.00 0.00 C ATOM 211 O ARG A 32 -7.554 -7.367 5.031 1.00 0.00 O ATOM 212 CB ARG A 32 -7.742 -10.773 5.773 1.00 0.00 C ATOM 213 CG ARG A 32 -6.523 -11.621 5.419 1.00 0.00 C ATOM 214 CD ARG A 32 -5.721 -11.992 6.657 1.00 0.00 C ATOM 215 NE ARG A 32 -6.413 -12.979 7.481 1.00 0.00 N ATOM 216 CZ ARG A 32 -6.507 -12.918 8.808 1.00 0.00 C ATOM 217 NH1 ARG A 32 -5.999 -11.889 9.476 1.00 0.00 N ATOM 218 NH2 ARG A 32 -7.103 -13.896 9.474 1.00 0.00 N ATOM 0 H ARG A 32 -8.803 -7.887 6.753 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.560 -9.495 7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.347 -11.310 6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.356 -10.647 4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.846 -12.528 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.887 -11.073 4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.751 -12.387 6.356 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.531 -11.096 7.248 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.854 -13.768 7.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.531 -11.135 8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.077 -11.852 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.489 -14.694 8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.176 -13.850 10.490 1.00 0.00 H new ATOM 232 N HIS A 33 -5.939 -8.848 4.454 1.00 0.00 N ATOM 233 CA HIS A 33 -5.487 -8.155 3.245 1.00 0.00 C ATOM 234 C HIS A 33 -6.656 -7.682 2.388 1.00 0.00 C ATOM 235 O HIS A 33 -7.578 -8.444 2.101 1.00 0.00 O ATOM 236 CB HIS A 33 -4.593 -9.111 2.436 1.00 0.00 C ATOM 237 CG HIS A 33 -4.457 -8.790 0.972 1.00 0.00 C ATOM 238 ND1 HIS A 33 -5.339 -9.255 0.019 1.00 0.00 N ATOM 239 CD2 HIS A 33 -3.532 -8.066 0.297 1.00 0.00 C ATOM 240 CE1 HIS A 33 -4.964 -8.835 -1.173 1.00 0.00 C ATOM 241 NE2 HIS A 33 -3.868 -8.110 -1.038 1.00 0.00 N ATOM 0 H HIS A 33 -5.386 -9.675 4.678 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.928 -7.268 3.542 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.599 -9.116 2.883 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.991 -10.121 2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.687 -7.549 0.727 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.468 -9.048 -2.104 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.356 -7.658 -1.796 1.00 0.00 H new ATOM 250 N TRP A 34 -6.608 -6.420 1.989 1.00 0.00 N ATOM 251 CA TRP A 34 -7.594 -5.891 1.062 1.00 0.00 C ATOM 252 C TRP A 34 -6.981 -5.745 -0.331 1.00 0.00 C ATOM 253 O TRP A 34 -7.510 -6.269 -1.314 1.00 0.00 O ATOM 254 CB TRP A 34 -8.128 -4.542 1.546 1.00 0.00 C ATOM 255 CG TRP A 34 -9.402 -4.142 0.866 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.671 -4.415 1.287 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.537 -3.413 -0.362 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.585 -3.902 0.402 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.915 -3.282 -0.619 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.628 -2.855 -1.267 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.404 -2.621 -1.742 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -9.116 -2.201 -2.382 1.00 0.00 C ATOM 263 CH2 TRP A 34 -10.493 -2.089 -2.610 1.00 0.00 C ATOM 0 H TRP A 34 -5.902 -5.748 2.290 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.428 -6.591 1.013 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.295 -4.588 2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.373 -3.775 1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.920 -4.957 2.187 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.599 -3.971 0.490 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.564 -2.934 -1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.465 -2.532 -1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.424 -1.769 -3.090 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.842 -1.571 -3.491 1.00 0.00 H new ATOM 274 N GLY A 35 -5.858 -5.041 -0.409 1.00 0.00 N ATOM 275 CA GLY A 35 -5.195 -4.845 -1.684 1.00 0.00 C ATOM 276 C GLY A 35 -3.740 -4.467 -1.519 1.00 0.00 C ATOM 277 O GLY A 35 -3.311 -4.114 -0.419 1.00 0.00 O ATOM 0 H GLY A 35 -5.395 -4.603 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.267 -5.759 -2.273 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.710 -4.064 -2.243 1.00 0.00 H new ATOM 281 N THR A 36 -2.971 -4.566 -2.595 1.00 0.00 N ATOM 282 CA THR A 36 -1.577 -4.163 -2.568 1.00 0.00 C ATOM 283 C THR A 36 -1.107 -3.762 -3.970 1.00 0.00 C ATOM 284 O THR A 36 -1.447 -4.411 -4.962 1.00 0.00 O ATOM 285 CB THR A 36 -0.675 -5.281 -1.986 1.00 0.00 C ATOM 286 OG1 THR A 36 0.615 -4.760 -1.666 1.00 0.00 O ATOM 287 CG2 THR A 36 -0.513 -6.433 -2.957 1.00 0.00 C ATOM 0 H THR A 36 -3.291 -4.922 -3.496 1.00 0.00 H new ATOM 0 HA THR A 36 -1.493 -3.297 -1.912 1.00 0.00 H new ATOM 0 HB THR A 36 -1.163 -5.652 -1.085 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.595 -3.782 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.126 -7.196 -2.513 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.490 -6.862 -3.179 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.058 -6.071 -3.879 1.00 0.00 H new ATOM 295 N ILE A 37 -0.355 -2.674 -4.052 1.00 0.00 N ATOM 296 CA ILE A 37 0.165 -2.201 -5.325 1.00 0.00 C ATOM 297 C ILE A 37 1.686 -2.281 -5.318 1.00 0.00 C ATOM 298 O ILE A 37 2.337 -1.863 -4.355 1.00 0.00 O ATOM 299 CB ILE A 37 -0.262 -0.738 -5.661 1.00 0.00 C ATOM 300 CG1 ILE A 37 -1.757 -0.626 -6.000 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.557 -0.199 -6.830 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.686 -0.848 -4.828 1.00 0.00 C ATOM 0 H ILE A 37 -0.091 -2.102 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.260 -2.848 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.074 -0.145 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.949 0.363 -6.417 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.995 -1.351 -6.778 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.247 0.822 -7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.615 -0.208 -6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.395 -0.826 -7.707 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.720 -0.750 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.528 -1.847 -4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.481 -0.107 -4.056 1.00 0.00 H new ATOM 314 N ARG A 38 2.242 -2.837 -6.383 1.00 0.00 N ATOM 315 CA ARG A 38 3.683 -2.925 -6.548 1.00 0.00 C ATOM 316 C ARG A 38 4.242 -1.561 -6.937 1.00 0.00 C ATOM 317 O ARG A 38 4.182 -1.172 -8.102 1.00 0.00 O ATOM 318 CB ARG A 38 4.013 -3.944 -7.639 1.00 0.00 C ATOM 319 CG ARG A 38 5.378 -4.589 -7.489 1.00 0.00 C ATOM 320 CD ARG A 38 5.406 -5.561 -6.322 1.00 0.00 C ATOM 321 NE ARG A 38 4.336 -6.561 -6.416 1.00 0.00 N ATOM 322 CZ ARG A 38 4.513 -7.868 -6.224 1.00 0.00 C ATOM 323 NH1 ARG A 38 5.734 -8.352 -6.036 1.00 0.00 N ATOM 324 NH2 ARG A 38 3.475 -8.692 -6.269 1.00 0.00 N ATOM 0 H ARG A 38 1.709 -3.238 -7.154 1.00 0.00 H new ATOM 0 HA ARG A 38 4.133 -3.243 -5.607 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.252 -4.724 -7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.960 -3.451 -8.610 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.637 -5.114 -8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.133 -3.817 -7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.372 -6.065 -6.293 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.306 -5.009 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 38 3.397 -6.235 -6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.538 -7.724 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.869 -9.352 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.541 -8.326 -6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.611 -9.692 -6.122 1.00 0.00 H new ATOM 338 N LYS A 39 4.772 -0.833 -5.966 1.00 0.00 N ATOM 339 CA LYS A 39 5.278 0.506 -6.221 1.00 0.00 C ATOM 340 C LYS A 39 6.582 0.734 -5.466 1.00 0.00 C ATOM 341 O LYS A 39 6.806 0.161 -4.400 1.00 0.00 O ATOM 342 CB LYS A 39 4.223 1.545 -5.817 1.00 0.00 C ATOM 343 CG LYS A 39 4.497 2.946 -6.345 1.00 0.00 C ATOM 344 CD LYS A 39 4.729 2.943 -7.853 1.00 0.00 C ATOM 345 CE LYS A 39 3.534 2.382 -8.615 1.00 0.00 C ATOM 346 NZ LYS A 39 2.401 3.342 -8.688 1.00 0.00 N ATOM 0 H LYS A 39 4.862 -1.145 -4.999 1.00 0.00 H new ATOM 0 HA LYS A 39 5.483 0.614 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.248 1.217 -6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.164 1.583 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.655 3.596 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.371 3.360 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.929 3.960 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.615 2.351 -8.082 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.845 2.115 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.198 1.465 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.615 2.912 -9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.084 3.578 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.711 4.208 -9.173 1.00 0.00 H new ATOM 360 N LYS A 40 7.448 1.553 -6.037 1.00 0.00 N ATOM 361 CA LYS A 40 8.743 1.859 -5.441 1.00 0.00 C ATOM 362 C LYS A 40 8.590 2.599 -4.114 1.00 0.00 C ATOM 363 O LYS A 40 7.589 3.281 -3.879 1.00 0.00 O ATOM 364 CB LYS A 40 9.568 2.702 -6.412 1.00 0.00 C ATOM 365 CG LYS A 40 9.796 2.027 -7.753 1.00 0.00 C ATOM 366 CD LYS A 40 10.708 2.849 -8.644 1.00 0.00 C ATOM 367 CE LYS A 40 12.068 3.053 -8.002 1.00 0.00 C ATOM 368 NZ LYS A 40 13.003 3.790 -8.891 1.00 0.00 N ATOM 0 H LYS A 40 7.277 2.025 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 40 9.254 0.917 -5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.063 3.654 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.533 2.926 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.233 1.041 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.839 1.875 -8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.828 2.349 -9.605 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.249 3.817 -8.844 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.948 3.602 -7.068 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.498 2.084 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.919 3.906 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.139 3.255 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.607 4.726 -9.112 1.00 0.00 H new ATOM 382 N ALA A 41 9.586 2.448 -3.247 1.00 0.00 N ATOM 383 CA ALA A 41 9.594 3.120 -1.958 1.00 0.00 C ATOM 384 C ALA A 41 9.716 4.626 -2.141 1.00 0.00 C ATOM 385 O ALA A 41 10.461 5.097 -3.000 1.00 0.00 O ATOM 386 CB ALA A 41 10.733 2.596 -1.097 1.00 0.00 C ATOM 0 H ALA A 41 10.402 1.861 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 41 8.651 2.911 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.727 3.108 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.607 1.525 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.683 2.779 -1.599 1.00 0.00 H new ATOM 392 N GLY A 42 8.972 5.372 -1.339 1.00 0.00 N ATOM 393 CA GLY A 42 8.965 6.815 -1.463 1.00 0.00 C ATOM 394 C GLY A 42 7.861 7.300 -2.373 1.00 0.00 C ATOM 395 O GLY A 42 7.229 8.320 -2.103 1.00 0.00 O ATOM 0 H GLY A 42 8.371 5.003 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.845 7.263 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.927 7.150 -1.850 1.00 0.00 H new ATOM 399 N TRP A 43 7.627 6.563 -3.450 1.00 0.00 N ATOM 400 CA TRP A 43 6.552 6.879 -4.375 1.00 0.00 C ATOM 401 C TRP A 43 5.201 6.689 -3.702 1.00 0.00 C ATOM 402 O TRP A 43 4.913 5.621 -3.149 1.00 0.00 O ATOM 403 CB TRP A 43 6.643 6.002 -5.626 1.00 0.00 C ATOM 404 CG TRP A 43 7.746 6.398 -6.559 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.089 6.246 -6.362 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.594 7.007 -7.847 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.780 6.730 -7.446 1.00 0.00 N ATOM 408 CE2 TRP A 43 8.885 7.199 -8.371 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.488 7.408 -8.607 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.102 7.777 -9.621 1.00 0.00 C ATOM 411 CZ3 TRP A 43 6.706 7.980 -9.848 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.004 8.159 -10.343 1.00 0.00 C ATOM 0 H TRP A 43 8.171 5.739 -3.704 1.00 0.00 H new ATOM 0 HA TRP A 43 6.653 7.923 -4.673 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.790 4.965 -5.323 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.694 6.046 -6.160 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.541 5.810 -5.484 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.795 6.739 -7.546 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.484 7.273 -8.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.101 7.918 -10.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.862 8.293 -10.444 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.141 8.608 -11.316 1.00 0.00 H new ATOM 423 N ALA A 44 4.387 7.734 -3.732 1.00 0.00 N ATOM 424 CA ALA A 44 3.067 7.684 -3.133 1.00 0.00 C ATOM 425 C ALA A 44 2.128 6.844 -3.983 1.00 0.00 C ATOM 426 O ALA A 44 1.932 7.113 -5.171 1.00 0.00 O ATOM 427 CB ALA A 44 2.512 9.088 -2.934 1.00 0.00 C ATOM 0 H ALA A 44 4.620 8.627 -4.166 1.00 0.00 H new ATOM 0 HA ALA A 44 3.151 7.214 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.521 9.027 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.175 9.652 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.442 9.592 -3.898 1.00 0.00 H new ATOM 433 N VAL A 45 1.563 5.818 -3.375 1.00 0.00 N ATOM 434 CA VAL A 45 0.687 4.906 -4.083 1.00 0.00 C ATOM 435 C VAL A 45 -0.752 5.099 -3.622 1.00 0.00 C ATOM 436 O VAL A 45 -1.001 5.444 -2.464 1.00 0.00 O ATOM 437 CB VAL A 45 1.129 3.437 -3.888 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.871 2.964 -2.468 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.444 2.529 -4.892 1.00 0.00 C ATOM 0 H VAL A 45 1.696 5.595 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 45 0.750 5.131 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 45 2.204 3.390 -4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.193 1.928 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.429 3.588 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.194 3.036 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.771 1.501 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.636 2.590 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.705 2.842 -5.903 1.00 0.00 H new ATOM 449 N ARG A 46 -1.691 4.899 -4.532 1.00 0.00 N ATOM 450 CA ARG A 46 -3.088 5.155 -4.238 1.00 0.00 C ATOM 451 C ARG A 46 -3.817 3.875 -3.852 1.00 0.00 C ATOM 452 O ARG A 46 -3.652 2.828 -4.485 1.00 0.00 O ATOM 453 CB ARG A 46 -3.782 5.831 -5.434 1.00 0.00 C ATOM 454 CG ARG A 46 -4.236 4.894 -6.559 1.00 0.00 C ATOM 455 CD ARG A 46 -3.088 4.121 -7.198 1.00 0.00 C ATOM 456 NE ARG A 46 -3.487 3.503 -8.463 1.00 0.00 N ATOM 457 CZ ARG A 46 -3.835 2.225 -8.601 1.00 0.00 C ATOM 458 NH1 ARG A 46 -3.896 1.426 -7.539 1.00 0.00 N ATOM 459 NH2 ARG A 46 -4.147 1.752 -9.799 1.00 0.00 N ATOM 0 H ARG A 46 -1.510 4.561 -5.477 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.127 5.833 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.652 6.374 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.100 6.570 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.965 4.187 -6.162 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.744 5.478 -7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.248 4.794 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.742 3.350 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.499 4.091 -9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.676 1.791 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.163 0.448 -7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.120 2.366 -10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.414 0.774 -9.907 1.00 0.00 H new ATOM 473 N PHE A 47 -4.598 3.961 -2.792 1.00 0.00 N ATOM 474 CA PHE A 47 -5.477 2.879 -2.403 1.00 0.00 C ATOM 475 C PHE A 47 -6.901 3.393 -2.368 1.00 0.00 C ATOM 476 O PHE A 47 -7.185 4.406 -1.732 1.00 0.00 O ATOM 477 CB PHE A 47 -5.093 2.318 -1.035 1.00 0.00 C ATOM 478 CG PHE A 47 -3.748 1.652 -1.002 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.577 0.382 -1.524 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.657 2.294 -0.442 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.342 -0.236 -1.488 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.423 1.681 -0.401 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.265 0.415 -0.926 1.00 0.00 C ATOM 0 H PHE A 47 -4.640 4.777 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.386 2.073 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.103 3.128 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.851 1.599 -0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.419 -0.132 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.774 3.287 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.221 -1.227 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.580 2.191 0.042 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.298 -0.066 -0.897 1.00 0.00 H new ATOM 493 N TYR A 48 -7.789 2.710 -3.057 1.00 0.00 N ATOM 494 CA TYR A 48 -9.179 3.118 -3.114 1.00 0.00 C ATOM 495 C TYR A 48 -10.071 1.898 -3.231 1.00 0.00 C ATOM 496 O TYR A 48 -9.684 0.886 -3.818 1.00 0.00 O ATOM 497 CB TYR A 48 -9.417 4.091 -4.279 1.00 0.00 C ATOM 498 CG TYR A 48 -9.113 3.531 -5.652 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.816 3.517 -6.149 1.00 0.00 C ATOM 500 CD2 TYR A 48 -10.129 3.038 -6.460 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.541 3.028 -7.412 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.860 2.542 -7.721 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.566 2.540 -8.192 1.00 0.00 C ATOM 504 OH TYR A 48 -8.300 2.067 -9.453 1.00 0.00 O ATOM 0 H TYR A 48 -7.574 1.866 -3.588 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.429 3.643 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.458 4.413 -4.257 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.805 4.979 -4.122 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.009 3.894 -5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.146 3.042 -6.097 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.528 3.028 -7.785 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.661 2.157 -8.335 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.132 1.759 -9.869 1.00 0.00 H new ATOM 514 N GLU A 49 -11.256 1.999 -2.661 1.00 0.00 N ATOM 515 CA GLU A 49 -12.170 0.877 -2.608 1.00 0.00 C ATOM 516 C GLU A 49 -13.024 0.813 -3.864 1.00 0.00 C ATOM 517 O GLU A 49 -13.597 1.814 -4.294 1.00 0.00 O ATOM 518 CB GLU A 49 -13.066 0.972 -1.373 1.00 0.00 C ATOM 519 CG GLU A 49 -13.879 2.251 -1.315 1.00 0.00 C ATOM 520 CD GLU A 49 -14.928 2.227 -0.225 1.00 0.00 C ATOM 521 OE1 GLU A 49 -14.561 2.237 0.965 1.00 0.00 O ATOM 522 OE2 GLU A 49 -16.132 2.165 -0.557 1.00 0.00 O ATOM 0 H GLU A 49 -11.609 2.852 -2.226 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.577 -0.035 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.744 0.119 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.447 0.903 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.209 3.095 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.365 2.412 -2.277 1.00 0.00 H new ATOM 529 N GLU A 50 -13.075 -0.364 -4.456 1.00 0.00 N ATOM 530 CA GLU A 50 -13.929 -0.608 -5.599 1.00 0.00 C ATOM 531 C GLU A 50 -15.086 -1.490 -5.179 1.00 0.00 C ATOM 532 O GLU A 50 -14.932 -2.697 -4.997 1.00 0.00 O ATOM 533 CB GLU A 50 -13.146 -1.267 -6.733 1.00 0.00 C ATOM 534 CG GLU A 50 -11.984 -0.430 -7.233 1.00 0.00 C ATOM 535 CD GLU A 50 -11.293 -1.060 -8.419 1.00 0.00 C ATOM 536 OE1 GLU A 50 -10.507 -2.008 -8.218 1.00 0.00 O ATOM 537 OE2 GLU A 50 -11.542 -0.615 -9.558 1.00 0.00 O ATOM 0 H GLU A 50 -12.529 -1.173 -4.160 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.311 0.345 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.768 -2.231 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.823 -1.467 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.345 0.561 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.264 -0.293 -6.426 1.00 0.00 H new ATOM 544 N LYS A 51 -16.233 -0.874 -4.993 1.00 0.00 N ATOM 545 CA LYS A 51 -17.418 -1.589 -4.571 1.00 0.00 C ATOM 546 C LYS A 51 -18.297 -1.870 -5.781 1.00 0.00 C ATOM 547 O LYS A 51 -18.570 -0.971 -6.572 1.00 0.00 O ATOM 548 CB LYS A 51 -18.182 -0.765 -3.531 1.00 0.00 C ATOM 549 CG LYS A 51 -17.347 -0.382 -2.317 1.00 0.00 C ATOM 550 CD LYS A 51 -16.932 -1.599 -1.506 1.00 0.00 C ATOM 551 CE LYS A 51 -15.997 -1.217 -0.365 1.00 0.00 C ATOM 552 NZ LYS A 51 -16.614 -0.228 0.563 1.00 0.00 N ATOM 0 H LYS A 51 -16.371 0.128 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.130 -2.536 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.556 0.143 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.051 -1.333 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.458 0.157 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.917 0.298 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -17.819 -2.089 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.438 -2.320 -2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.722 -2.113 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.077 -0.802 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.948 -0.011 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.838 0.644 0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.488 -0.626 0.963 1.00 0.00 H new ATOM 566 N PRO A 52 -18.727 -3.124 -5.959 1.00 0.00 N ATOM 567 CA PRO A 52 -19.530 -3.520 -7.118 1.00 0.00 C ATOM 568 C PRO A 52 -20.848 -2.753 -7.198 1.00 0.00 C ATOM 569 O PRO A 52 -21.705 -2.868 -6.318 1.00 0.00 O ATOM 570 CB PRO A 52 -19.785 -5.015 -6.893 1.00 0.00 C ATOM 571 CG PRO A 52 -19.511 -5.255 -5.447 1.00 0.00 C ATOM 572 CD PRO A 52 -18.468 -4.251 -5.051 1.00 0.00 C ATOM 0 HA PRO A 52 -19.020 -3.305 -8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.811 -5.280 -7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.134 -5.623 -7.522 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -20.416 -5.132 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -19.156 -6.272 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -18.567 -3.958 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -17.460 -4.646 -5.177 1.00 0.00 H new ATOM 580 N GLY A 53 -20.997 -1.969 -8.261 1.00 0.00 N ATOM 581 CA GLY A 53 -22.201 -1.178 -8.449 1.00 0.00 C ATOM 582 C GLY A 53 -22.165 0.123 -7.677 1.00 0.00 C ATOM 583 O GLY A 53 -23.139 0.879 -7.663 1.00 0.00 O ATOM 0 H GLY A 53 -20.301 -1.867 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -22.329 -0.964 -9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -23.067 -1.760 -8.134 1.00 0.00 H new ATOM 587 N GLN A 54 -21.046 0.374 -7.028 1.00 0.00 N ATOM 588 CA GLN A 54 -20.874 1.558 -6.201 1.00 0.00 C ATOM 589 C GLN A 54 -19.627 2.334 -6.635 1.00 0.00 C ATOM 590 O GLN A 54 -18.730 1.774 -7.270 1.00 0.00 O ATOM 591 CB GLN A 54 -20.762 1.130 -4.734 1.00 0.00 C ATOM 592 CG GLN A 54 -21.922 0.257 -4.282 1.00 0.00 C ATOM 593 CD GLN A 54 -21.676 -0.423 -2.950 1.00 0.00 C ATOM 594 OE1 GLN A 54 -20.978 0.103 -2.082 1.00 0.00 O ATOM 595 NE2 GLN A 54 -22.246 -1.605 -2.785 1.00 0.00 N ATOM 0 H GLN A 54 -20.228 -0.235 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.736 2.215 -6.319 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.828 0.587 -4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.715 2.018 -4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.821 0.869 -4.209 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -22.113 -0.502 -5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -22.817 -2.004 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.115 -2.117 -1.913 1.00 0.00 H new ATOM 604 N PRO A 55 -19.566 3.639 -6.325 1.00 0.00 N ATOM 605 CA PRO A 55 -18.418 4.481 -6.675 1.00 0.00 C ATOM 606 C PRO A 55 -17.184 4.155 -5.843 1.00 0.00 C ATOM 607 O PRO A 55 -17.271 3.558 -4.765 1.00 0.00 O ATOM 608 CB PRO A 55 -18.912 5.896 -6.376 1.00 0.00 C ATOM 609 CG PRO A 55 -19.947 5.721 -5.321 1.00 0.00 C ATOM 610 CD PRO A 55 -20.610 4.401 -5.611 1.00 0.00 C ATOM 0 HA PRO A 55 -18.105 4.336 -7.709 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -18.099 6.534 -6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -19.330 6.366 -7.266 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -19.497 5.723 -4.328 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -20.671 6.536 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.919 3.897 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -21.504 4.527 -6.222 1.00 0.00 H new ATOM 618 N LYS A 56 -16.039 4.569 -6.351 1.00 0.00 N ATOM 619 CA LYS A 56 -14.758 4.224 -5.762 1.00 0.00 C ATOM 620 C LYS A 56 -14.194 5.408 -4.993 1.00 0.00 C ATOM 621 O LYS A 56 -14.233 6.545 -5.469 1.00 0.00 O ATOM 622 CB LYS A 56 -13.803 3.797 -6.870 1.00 0.00 C ATOM 623 CG LYS A 56 -14.335 2.631 -7.683 1.00 0.00 C ATOM 624 CD LYS A 56 -13.661 2.549 -9.033 1.00 0.00 C ATOM 625 CE LYS A 56 -14.160 1.359 -9.835 1.00 0.00 C ATOM 626 NZ LYS A 56 -13.203 0.964 -10.899 1.00 0.00 N ATOM 0 H LYS A 56 -15.970 5.154 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.887 3.400 -5.060 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.620 4.643 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.844 3.522 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.175 1.701 -7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.411 2.740 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.847 3.468 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.582 2.471 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.326 0.515 -9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -15.122 1.603 -10.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.719 0.504 -11.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.716 1.809 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.503 0.301 -10.508 1.00 0.00 H new ATOM 640 N ARG A 57 -13.663 5.143 -3.814 1.00 0.00 N ATOM 641 CA ARG A 57 -13.216 6.209 -2.935 1.00 0.00 C ATOM 642 C ARG A 57 -11.829 5.908 -2.388 1.00 0.00 C ATOM 643 O ARG A 57 -11.543 4.774 -2.003 1.00 0.00 O ATOM 644 CB ARG A 57 -14.210 6.370 -1.785 1.00 0.00 C ATOM 645 CG ARG A 57 -14.102 7.702 -1.065 1.00 0.00 C ATOM 646 CD ARG A 57 -14.289 8.857 -2.036 1.00 0.00 C ATOM 647 NE ARG A 57 -14.453 10.136 -1.353 1.00 0.00 N ATOM 648 CZ ARG A 57 -13.963 11.288 -1.802 1.00 0.00 C ATOM 649 NH1 ARG A 57 -13.191 11.313 -2.881 1.00 0.00 N ATOM 650 NH2 ARG A 57 -14.234 12.414 -1.155 1.00 0.00 N ATOM 0 H ARG A 57 -13.531 4.202 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.164 7.137 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.222 6.258 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.054 5.565 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.854 7.757 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.128 7.781 -0.582 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.428 8.911 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.163 8.666 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.976 10.147 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.971 10.446 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.818 12.199 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.816 12.394 -0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.861 13.300 -1.495 1.00 0.00 H new ATOM 664 N LEU A 58 -10.968 6.921 -2.391 1.00 0.00 N ATOM 665 CA LEU A 58 -9.627 6.800 -1.832 1.00 0.00 C ATOM 666 C LEU A 58 -9.694 6.431 -0.360 1.00 0.00 C ATOM 667 O LEU A 58 -10.269 7.163 0.447 1.00 0.00 O ATOM 668 CB LEU A 58 -8.853 8.111 -2.009 1.00 0.00 C ATOM 669 CG LEU A 58 -7.963 8.181 -3.254 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.649 9.629 -3.599 1.00 0.00 C ATOM 671 CD2 LEU A 58 -6.668 7.413 -3.024 1.00 0.00 C ATOM 0 H LEU A 58 -11.178 7.841 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.104 6.008 -2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.567 8.934 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.231 8.269 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.500 7.727 -4.087 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.016 9.663 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.577 10.166 -3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.129 10.097 -2.764 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.046 7.472 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.132 7.847 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.897 6.369 -2.810 1.00 0.00 H new ATOM 683 N VAL A 59 -9.113 5.292 -0.020 1.00 0.00 N ATOM 684 CA VAL A 59 -9.130 4.818 1.348 1.00 0.00 C ATOM 685 C VAL A 59 -7.889 5.285 2.087 1.00 0.00 C ATOM 686 O VAL A 59 -7.917 5.424 3.306 1.00 0.00 O ATOM 687 CB VAL A 59 -9.248 3.280 1.435 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.523 2.808 0.760 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.037 2.599 0.824 1.00 0.00 C ATOM 0 H VAL A 59 -8.625 4.681 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.016 5.242 1.821 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.288 3.005 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.591 1.722 0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.384 3.258 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.510 3.104 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.150 1.518 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.952 2.881 -0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.138 2.908 1.357 1.00 0.00 H new ATOM 699 N ALA A 60 -6.803 5.511 1.338 1.00 0.00 N ATOM 700 CA ALA A 60 -5.590 6.102 1.886 1.00 0.00 C ATOM 701 C ALA A 60 -4.495 6.194 0.831 1.00 0.00 C ATOM 702 O ALA A 60 -4.380 5.334 -0.044 1.00 0.00 O ATOM 703 CB ALA A 60 -5.084 5.327 3.092 1.00 0.00 C ATOM 0 H ALA A 60 -6.746 5.289 0.344 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.848 7.110 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.178 5.798 3.473 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.847 5.326 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.864 4.301 2.799 1.00 0.00 H new ATOM 709 N ILE A 61 -3.711 7.258 0.898 1.00 0.00 N ATOM 710 CA ILE A 61 -2.550 7.404 0.042 1.00 0.00 C ATOM 711 C ILE A 61 -1.292 7.095 0.847 1.00 0.00 C ATOM 712 O ILE A 61 -0.927 7.844 1.760 1.00 0.00 O ATOM 713 CB ILE A 61 -2.433 8.821 -0.564 1.00 0.00 C ATOM 714 CG1 ILE A 61 -3.742 9.256 -1.236 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.293 8.847 -1.563 1.00 0.00 C ATOM 716 CD1 ILE A 61 -4.757 9.846 -0.280 1.00 0.00 C ATOM 0 H ILE A 61 -3.861 8.036 1.541 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.664 6.704 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.231 9.526 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.515 9.991 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.186 8.395 -1.736 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.208 9.845 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.362 8.588 -1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.488 8.126 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.654 10.129 -0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.015 9.107 0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.334 10.728 0.201 1.00 0.00 H new ATOM 728 N CYS A 62 -0.634 5.996 0.516 1.00 0.00 N ATOM 729 CA CYS A 62 0.463 5.501 1.317 1.00 0.00 C ATOM 730 C CYS A 62 1.766 5.512 0.530 1.00 0.00 C ATOM 731 O CYS A 62 1.774 5.306 -0.680 1.00 0.00 O ATOM 732 CB CYS A 62 0.160 4.074 1.770 1.00 0.00 C ATOM 733 SG CYS A 62 -1.536 3.801 2.393 1.00 0.00 S ATOM 0 H CYS A 62 -0.845 5.431 -0.306 1.00 0.00 H new ATOM 0 HA CYS A 62 0.576 6.154 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.336 3.399 0.933 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.867 3.801 2.554 1.00 0.00 H new ATOM 738 N LYS A 63 2.865 5.758 1.218 1.00 0.00 N ATOM 739 CA LYS A 63 4.178 5.667 0.608 1.00 0.00 C ATOM 740 C LYS A 63 5.217 5.390 1.670 1.00 0.00 C ATOM 741 O LYS A 63 4.976 5.600 2.849 1.00 0.00 O ATOM 742 CB LYS A 63 4.514 6.941 -0.160 1.00 0.00 C ATOM 743 CG LYS A 63 4.416 8.219 0.653 1.00 0.00 C ATOM 744 CD LYS A 63 4.575 9.416 -0.259 1.00 0.00 C ATOM 745 CE LYS A 63 4.390 10.739 0.460 1.00 0.00 C ATOM 746 NZ LYS A 63 3.178 10.762 1.323 1.00 0.00 N ATOM 0 H LYS A 63 2.874 6.023 2.203 1.00 0.00 H new ATOM 0 HA LYS A 63 4.175 4.843 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.527 6.855 -0.554 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.844 7.020 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.454 8.264 1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.187 8.232 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.566 9.391 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.851 9.346 -1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.270 10.941 1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.322 11.541 -0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.016 11.730 1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.354 10.448 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.316 10.124 2.133 1.00 0.00 H new ATOM 760 N ASN A 64 6.368 4.916 1.248 1.00 0.00 N ATOM 761 CA ASN A 64 7.401 4.510 2.185 1.00 0.00 C ATOM 762 C ASN A 64 8.160 5.724 2.691 1.00 0.00 C ATOM 763 O ASN A 64 8.370 6.669 1.933 1.00 0.00 O ATOM 764 CB ASN A 64 8.355 3.517 1.526 1.00 0.00 C ATOM 765 CG ASN A 64 9.481 3.091 2.444 1.00 0.00 C ATOM 766 OD1 ASN A 64 9.342 2.157 3.225 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.610 3.769 2.346 1.00 0.00 N ATOM 0 H ASN A 64 6.616 4.801 0.265 1.00 0.00 H new ATOM 0 HA ASN A 64 6.928 4.020 3.036 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.795 2.636 1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.775 3.966 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.406 3.521 2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.686 4.540 1.683 1.00 0.00 H new ATOM 774 N ALA A 65 8.540 5.693 3.971 1.00 0.00 N ATOM 775 CA ALA A 65 9.219 6.817 4.626 1.00 0.00 C ATOM 776 C ALA A 65 10.299 7.428 3.740 1.00 0.00 C ATOM 777 O ALA A 65 10.263 8.620 3.426 1.00 0.00 O ATOM 778 CB ALA A 65 9.824 6.364 5.948 1.00 0.00 C ATOM 0 H ALA A 65 8.387 4.891 4.582 1.00 0.00 H new ATOM 0 HA ALA A 65 8.471 7.588 4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.326 7.206 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.034 5.993 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.546 5.568 5.764 1.00 0.00 H new ATOM 784 N SER A 66 11.241 6.600 3.326 1.00 0.00 N ATOM 785 CA SER A 66 12.325 7.040 2.468 1.00 0.00 C ATOM 786 C SER A 66 11.985 6.777 1.004 1.00 0.00 C ATOM 787 O SER A 66 11.429 5.733 0.672 1.00 0.00 O ATOM 788 CB SER A 66 13.607 6.302 2.847 1.00 0.00 C ATOM 789 OG SER A 66 13.801 6.329 4.251 1.00 0.00 O ATOM 0 H SER A 66 11.276 5.611 3.573 1.00 0.00 H new ATOM 0 HA SER A 66 12.471 8.112 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.555 5.270 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.459 6.762 2.348 1.00 0.00 H new ATOM 0 HG SER A 66 14.626 5.850 4.477 1.00 0.00 H new ATOM 795 N PRO A 67 12.304 7.724 0.112 1.00 0.00 N ATOM 796 CA PRO A 67 12.112 7.563 -1.326 1.00 0.00 C ATOM 797 C PRO A 67 13.264 6.801 -1.975 1.00 0.00 C ATOM 798 O PRO A 67 13.530 6.946 -3.169 1.00 0.00 O ATOM 799 CB PRO A 67 12.061 9.004 -1.856 1.00 0.00 C ATOM 800 CG PRO A 67 12.295 9.899 -0.675 1.00 0.00 C ATOM 801 CD PRO A 67 12.854 9.041 0.425 1.00 0.00 C ATOM 0 HA PRO A 67 11.215 6.986 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.821 9.164 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.096 9.214 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.989 10.700 -0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.365 10.372 -0.360 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.944 9.036 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.540 9.388 1.409 1.00 0.00 H new ATOM 809 N VAL A 68 13.963 6.010 -1.172 1.00 0.00 N ATOM 810 CA VAL A 68 15.074 5.206 -1.657 1.00 0.00 C ATOM 811 C VAL A 68 14.992 3.805 -1.062 1.00 0.00 C ATOM 812 O VAL A 68 14.620 2.852 -1.743 1.00 0.00 O ATOM 813 CB VAL A 68 16.448 5.816 -1.300 1.00 0.00 C ATOM 814 CG1 VAL A 68 17.533 5.170 -2.143 1.00 0.00 C ATOM 815 CG2 VAL A 68 16.455 7.326 -1.486 1.00 0.00 C ATOM 0 H VAL A 68 13.777 5.909 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 68 14.992 5.174 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 68 16.645 5.616 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.500 5.604 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.554 4.098 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 68 17.325 5.344 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.437 7.720 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.232 7.566 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.701 7.776 -0.840 1.00 0.00 H new ATOM 825 N HIS A 69 15.321 3.695 0.222 1.00 0.00 N ATOM 826 CA HIS A 69 15.256 2.414 0.918 1.00 0.00 C ATOM 827 C HIS A 69 13.850 2.183 1.426 1.00 0.00 C ATOM 828 O HIS A 69 13.083 3.128 1.595 1.00 0.00 O ATOM 829 CB HIS A 69 16.202 2.362 2.120 1.00 0.00 C ATOM 830 CG HIS A 69 17.656 2.527 1.798 1.00 0.00 C ATOM 831 ND1 HIS A 69 18.629 1.725 2.343 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.305 3.423 1.021 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.812 2.117 1.918 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.648 3.149 1.111 1.00 0.00 N ATOM 0 H HIS A 69 15.634 4.475 0.800 1.00 0.00 H new ATOM 0 HA HIS A 69 15.552 1.647 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.912 3.142 2.824 1.00 0.00 H new ATOM 0 HB3 HIS A 69 16.065 1.407 2.628 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.851 4.210 0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 69 20.758 1.669 2.185 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.393 3.657 0.635 1.00 0.00 H new ATOM 843 N CYS A 70 13.532 0.936 1.701 1.00 0.00 N ATOM 844 CA CYS A 70 12.221 0.580 2.216 1.00 0.00 C ATOM 845 C CYS A 70 12.301 0.332 3.718 1.00 0.00 C ATOM 846 O CYS A 70 13.107 -0.475 4.182 1.00 0.00 O ATOM 847 CB CYS A 70 11.678 -0.660 1.502 1.00 0.00 C ATOM 848 SG CYS A 70 9.979 -1.086 1.950 1.00 0.00 S ATOM 0 H CYS A 70 14.165 0.146 1.577 1.00 0.00 H new ATOM 0 HA CYS A 70 11.538 1.409 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 70 11.728 -0.497 0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 70 12.325 -1.508 1.727 1.00 0.00 H new ATOM 0 HG CYS A 70 9.387 -0.042 2.449 1.00 0.00 H new ATOM 854 N ASN A 71 11.463 1.030 4.468 1.00 0.00 N ATOM 855 CA ASN A 71 11.440 0.911 5.918 1.00 0.00 C ATOM 856 C ASN A 71 10.038 0.528 6.370 1.00 0.00 C ATOM 857 O ASN A 71 9.755 -0.637 6.639 1.00 0.00 O ATOM 858 CB ASN A 71 11.858 2.233 6.584 1.00 0.00 C ATOM 859 CG ASN A 71 13.269 2.673 6.223 1.00 0.00 C ATOM 860 OD1 ASN A 71 14.150 1.856 5.969 1.00 0.00 O ATOM 861 ND2 ASN A 71 13.493 3.979 6.203 1.00 0.00 N ATOM 0 H ASN A 71 10.783 1.691 4.092 1.00 0.00 H new ATOM 0 HA ASN A 71 12.149 0.139 6.216 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.156 3.015 6.294 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.785 2.125 7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.421 4.334 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.738 4.629 6.419 1.00 0.00 H new ATOM 868 N TYR A 72 9.158 1.521 6.419 1.00 0.00 N ATOM 869 CA TYR A 72 7.758 1.317 6.764 1.00 0.00 C ATOM 870 C TYR A 72 6.905 2.238 5.904 1.00 0.00 C ATOM 871 O TYR A 72 7.435 3.090 5.185 1.00 0.00 O ATOM 872 CB TYR A 72 7.503 1.605 8.250 1.00 0.00 C ATOM 873 CG TYR A 72 8.351 0.775 9.192 1.00 0.00 C ATOM 874 CD1 TYR A 72 8.067 -0.566 9.418 1.00 0.00 C ATOM 875 CD2 TYR A 72 9.440 1.334 9.851 1.00 0.00 C ATOM 876 CE1 TYR A 72 8.843 -1.327 10.274 1.00 0.00 C ATOM 877 CE2 TYR A 72 10.221 0.580 10.706 1.00 0.00 C ATOM 878 CZ TYR A 72 9.919 -0.748 10.915 1.00 0.00 C ATOM 879 OH TYR A 72 10.697 -1.501 11.768 1.00 0.00 O ATOM 0 H TYR A 72 9.397 2.492 6.220 1.00 0.00 H new ATOM 0 HA TYR A 72 7.496 0.275 6.579 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.692 2.661 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.451 1.424 8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.226 -1.022 8.917 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.680 2.375 9.692 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.608 -2.368 10.440 1.00 0.00 H new ATOM 0 HE2 TYR A 72 11.065 1.030 11.208 1.00 0.00 H new ATOM 0 HH TYR A 72 11.414 -0.943 12.136 1.00 0.00 H new ATOM 889 N LEU A 73 5.593 2.105 6.004 1.00 0.00 N ATOM 890 CA LEU A 73 4.703 2.879 5.155 1.00 0.00 C ATOM 891 C LEU A 73 4.116 4.062 5.902 1.00 0.00 C ATOM 892 O LEU A 73 3.491 3.913 6.951 1.00 0.00 O ATOM 893 CB LEU A 73 3.565 2.021 4.587 1.00 0.00 C ATOM 894 CG LEU A 73 3.983 0.961 3.565 1.00 0.00 C ATOM 895 CD1 LEU A 73 2.757 0.258 3.001 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.801 1.589 2.445 1.00 0.00 C ATOM 0 H LEU A 73 5.125 1.476 6.656 1.00 0.00 H new ATOM 0 HA LEU A 73 5.309 3.245 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.061 1.523 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.834 2.681 4.121 1.00 0.00 H new ATOM 0 HG LEU A 73 4.606 0.222 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.070 -0.493 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.210 -0.225 3.811 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.112 0.988 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.089 0.819 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.204 2.349 1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.697 2.049 2.862 1.00 0.00 H new ATOM 908 N LYS A 74 4.358 5.235 5.347 1.00 0.00 N ATOM 909 CA LYS A 74 3.763 6.467 5.819 1.00 0.00 C ATOM 910 C LYS A 74 2.500 6.726 5.017 1.00 0.00 C ATOM 911 O LYS A 74 2.564 7.066 3.832 1.00 0.00 O ATOM 912 CB LYS A 74 4.738 7.637 5.636 1.00 0.00 C ATOM 913 CG LYS A 74 6.093 7.452 6.311 1.00 0.00 C ATOM 914 CD LYS A 74 6.031 7.669 7.818 1.00 0.00 C ATOM 915 CE LYS A 74 5.346 6.525 8.540 1.00 0.00 C ATOM 916 NZ LYS A 74 5.351 6.717 10.011 1.00 0.00 N ATOM 0 H LYS A 74 4.980 5.358 4.548 1.00 0.00 H new ATOM 0 HA LYS A 74 3.529 6.378 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.898 7.795 4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.274 8.543 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.462 6.447 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.810 8.149 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.042 7.787 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.499 8.597 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.318 6.438 8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.847 5.589 8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.874 5.914 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.332 6.775 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.851 7.597 10.248 1.00 0.00 H new ATOM 930 N CYS A 75 1.358 6.537 5.633 1.00 0.00 N ATOM 931 CA CYS A 75 0.106 6.718 4.933 1.00 0.00 C ATOM 932 C CYS A 75 -0.735 7.767 5.625 1.00 0.00 C ATOM 933 O CYS A 75 -0.445 8.163 6.754 1.00 0.00 O ATOM 934 CB CYS A 75 -0.658 5.399 4.825 1.00 0.00 C ATOM 935 SG CYS A 75 -1.945 5.418 3.549 1.00 0.00 S ATOM 0 H CYS A 75 1.268 6.260 6.610 1.00 0.00 H new ATOM 0 HA CYS A 75 0.327 7.060 3.922 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.046 4.596 4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.115 5.172 5.788 1.00 0.00 H new ATOM 940 N THR A 76 -1.762 8.228 4.940 1.00 0.00 N ATOM 941 CA THR A 76 -2.621 9.260 5.472 1.00 0.00 C ATOM 942 C THR A 76 -3.959 9.254 4.743 1.00 0.00 C ATOM 943 O THR A 76 -4.069 8.690 3.651 1.00 0.00 O ATOM 944 CB THR A 76 -1.950 10.650 5.367 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.764 11.645 5.998 1.00 0.00 O ATOM 946 CG2 THR A 76 -1.696 11.036 3.916 1.00 0.00 C ATOM 0 H THR A 76 -2.021 7.901 4.009 1.00 0.00 H new ATOM 0 HA THR A 76 -2.795 9.052 6.528 1.00 0.00 H new ATOM 0 HB THR A 76 -0.989 10.593 5.878 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.327 12.519 5.926 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.224 12.018 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.039 10.299 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.643 11.068 3.377 1.00 0.00 H new ATOM 954 N ASN A 77 -4.961 9.884 5.356 1.00 0.00 N ATOM 955 CA ASN A 77 -6.328 9.901 4.832 1.00 0.00 C ATOM 956 C ASN A 77 -6.946 8.510 4.924 1.00 0.00 C ATOM 957 O ASN A 77 -7.743 8.123 4.073 1.00 0.00 O ATOM 958 CB ASN A 77 -6.384 10.406 3.377 1.00 0.00 C ATOM 959 CG ASN A 77 -5.876 11.828 3.211 1.00 0.00 C ATOM 960 OD1 ASN A 77 -6.615 12.794 3.398 1.00 0.00 O ATOM 961 ND2 ASN A 77 -4.616 11.965 2.836 1.00 0.00 N ATOM 0 H ASN A 77 -4.849 10.397 6.230 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.902 10.596 5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.793 9.741 2.747 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.413 10.352 3.021 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.225 12.896 2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.034 11.140 2.691 1.00 0.00 H new ATOM 968 N LEU A 78 -6.567 7.771 5.969 1.00 0.00 N ATOM 969 CA LEU A 78 -7.066 6.411 6.186 1.00 0.00 C ATOM 970 C LEU A 78 -8.588 6.407 6.330 1.00 0.00 C ATOM 971 O LEU A 78 -9.163 7.282 6.984 1.00 0.00 O ATOM 972 CB LEU A 78 -6.436 5.802 7.444 1.00 0.00 C ATOM 973 CG LEU A 78 -4.919 5.605 7.401 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.398 5.181 8.764 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.544 4.564 6.360 1.00 0.00 C ATOM 0 H LEU A 78 -5.913 8.094 6.682 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.790 5.812 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.676 6.441 8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.904 4.835 7.630 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.462 6.556 7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.318 5.046 8.715 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.634 5.950 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.868 4.242 9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.461 4.438 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.016 3.614 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.885 4.892 5.378 1.00 0.00 H new ATOM 987 N ALA A 79 -9.234 5.415 5.737 1.00 0.00 N ATOM 988 CA ALA A 79 -10.690 5.342 5.736 1.00 0.00 C ATOM 989 C ALA A 79 -11.204 4.416 6.835 1.00 0.00 C ATOM 990 O ALA A 79 -11.790 3.368 6.555 1.00 0.00 O ATOM 991 CB ALA A 79 -11.199 4.899 4.370 1.00 0.00 C ATOM 0 H ALA A 79 -8.773 4.647 5.249 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.076 6.340 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.288 4.849 4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.879 5.615 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.795 3.915 4.133 1.00 0.00 H new ATOM 997 N ALA A 80 -10.962 4.820 8.083 1.00 0.00 N ATOM 998 CA ALA A 80 -11.455 4.116 9.273 1.00 0.00 C ATOM 999 C ALA A 80 -10.961 2.667 9.333 1.00 0.00 C ATOM 1000 O ALA A 80 -9.907 2.387 9.906 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.979 4.175 9.345 1.00 0.00 C ATOM 0 H ALA A 80 -10.414 5.652 8.301 1.00 0.00 H new ATOM 0 HA ALA A 80 -11.047 4.630 10.143 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.322 3.647 10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.301 5.215 9.394 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.404 3.705 8.458 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.719 1.759 8.730 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.350 0.357 8.728 1.00 0.00 C ATOM 1009 C GLY A 81 -10.217 0.073 7.766 1.00 0.00 C ATOM 1010 O GLY A 81 -9.508 -0.927 7.897 1.00 0.00 O ATOM 0 H GLY A 81 -12.588 1.971 8.240 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.056 0.058 9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.216 -0.246 8.457 1.00 0.00 H new ATOM 1014 N PHE A 82 -10.049 0.959 6.795 1.00 0.00 N ATOM 1015 CA PHE A 82 -8.989 0.827 5.809 1.00 0.00 C ATOM 1016 C PHE A 82 -7.718 1.499 6.306 1.00 0.00 C ATOM 1017 O PHE A 82 -7.648 2.724 6.408 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.409 1.441 4.472 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.585 0.767 3.825 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.400 -0.295 2.953 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -11.875 1.200 4.082 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.479 -0.912 2.352 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -12.958 0.588 3.484 1.00 0.00 C ATOM 1024 CZ PHE A 82 -12.761 -0.470 2.617 1.00 0.00 C ATOM 0 H PHE A 82 -10.638 1.782 6.670 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.798 -0.236 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.648 2.493 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.562 1.405 3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.400 -0.644 2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.036 2.026 4.758 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.321 -1.739 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -13.959 0.936 3.694 1.00 0.00 H new ATOM 0 HZ PHE A 82 -13.607 -0.950 2.148 1.00 0.00 H new ATOM 1034 N SER A 83 -6.729 0.687 6.631 1.00 0.00 N ATOM 1035 CA SER A 83 -5.430 1.174 7.063 1.00 0.00 C ATOM 1036 C SER A 83 -4.355 0.493 6.228 1.00 0.00 C ATOM 1037 O SER A 83 -4.664 -0.389 5.443 1.00 0.00 O ATOM 1038 CB SER A 83 -5.234 0.873 8.548 1.00 0.00 C ATOM 1039 OG SER A 83 -6.328 1.362 9.310 1.00 0.00 O ATOM 0 H SER A 83 -6.803 -0.330 6.603 1.00 0.00 H new ATOM 0 HA SER A 83 -5.365 2.253 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.134 -0.202 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.308 1.330 8.897 1.00 0.00 H new ATOM 0 HG SER A 83 -6.184 1.158 10.258 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.105 0.887 6.370 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.050 0.275 5.579 1.00 0.00 C ATOM 1047 C ALA A 84 -1.114 -0.531 6.465 1.00 0.00 C ATOM 1048 O ALA A 84 -1.039 -0.303 7.675 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.277 1.330 4.809 1.00 0.00 C ATOM 0 H ALA A 84 -2.796 1.615 7.014 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.512 -0.403 4.862 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.492 0.851 4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.954 1.862 4.141 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.829 2.035 5.509 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.399 -1.465 5.858 1.00 0.00 N ATOM 1056 CA GLY A 85 0.466 -2.346 6.610 1.00 0.00 C ATOM 1057 C GLY A 85 1.899 -2.284 6.132 1.00 0.00 C ATOM 1058 O GLY A 85 2.347 -1.258 5.628 1.00 0.00 O ATOM 0 H GLY A 85 -0.403 -1.629 4.851 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.425 -2.078 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.101 -3.370 6.526 1.00 0.00 H new ATOM 1062 N THR A 86 2.617 -3.379 6.291 1.00 0.00 N ATOM 1063 CA THR A 86 3.997 -3.467 5.843 1.00 0.00 C ATOM 1064 C THR A 86 4.048 -3.838 4.354 1.00 0.00 C ATOM 1065 O THR A 86 3.013 -3.940 3.692 1.00 0.00 O ATOM 1066 CB THR A 86 4.765 -4.515 6.686 1.00 0.00 C ATOM 1067 OG1 THR A 86 6.164 -4.499 6.370 1.00 0.00 O ATOM 1068 CG2 THR A 86 4.203 -5.914 6.457 1.00 0.00 C ATOM 0 H THR A 86 2.265 -4.229 6.731 1.00 0.00 H new ATOM 0 HA THR A 86 4.473 -2.495 5.976 1.00 0.00 H new ATOM 0 HB THR A 86 4.638 -4.251 7.736 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.630 -5.167 6.915 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.759 -6.632 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.152 -5.935 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.296 -6.176 5.403 1.00 0.00 H new ATOM 1076 N SER A 87 5.248 -4.019 3.828 1.00 0.00 N ATOM 1077 CA SER A 87 5.420 -4.454 2.452 1.00 0.00 C ATOM 1078 C SER A 87 6.195 -5.768 2.437 1.00 0.00 C ATOM 1079 O SER A 87 7.109 -5.960 3.241 1.00 0.00 O ATOM 1080 CB SER A 87 6.150 -3.378 1.650 1.00 0.00 C ATOM 1081 OG SER A 87 5.450 -2.143 1.712 1.00 0.00 O ATOM 0 H SER A 87 6.120 -3.871 4.335 1.00 0.00 H new ATOM 0 HA SER A 87 4.446 -4.614 1.989 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.160 -3.249 2.040 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.247 -3.695 0.612 1.00 0.00 H new ATOM 0 HG SER A 87 6.007 -1.432 1.333 1.00 0.00 H new ATOM 1087 N THR A 88 5.842 -6.670 1.526 1.00 0.00 N ATOM 1088 CA THR A 88 6.383 -8.022 1.557 1.00 0.00 C ATOM 1089 C THR A 88 6.716 -8.531 0.155 1.00 0.00 C ATOM 1090 O THR A 88 6.969 -7.743 -0.757 1.00 0.00 O ATOM 1091 CB THR A 88 5.386 -8.995 2.213 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.152 -9.009 1.484 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.126 -8.619 3.663 1.00 0.00 C ATOM 0 H THR A 88 5.189 -6.490 0.763 1.00 0.00 H new ATOM 0 HA THR A 88 7.300 -7.980 2.144 1.00 0.00 H new ATOM 0 HB THR A 88 5.827 -9.992 2.191 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.546 -8.334 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.418 -9.323 4.100 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.062 -8.651 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.711 -7.612 3.709 1.00 0.00 H new ATOM 1101 N ASP A 89 6.732 -9.862 0.021 1.00 0.00 N ATOM 1102 CA ASP A 89 6.946 -10.557 -1.257 1.00 0.00 C ATOM 1103 C ASP A 89 8.328 -10.288 -1.845 1.00 0.00 C ATOM 1104 O ASP A 89 9.215 -11.128 -1.739 1.00 0.00 O ATOM 1105 CB ASP A 89 5.854 -10.205 -2.271 1.00 0.00 C ATOM 1106 CG ASP A 89 6.035 -10.928 -3.595 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.568 -12.079 -3.716 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.643 -10.346 -4.513 1.00 0.00 O ATOM 0 H ASP A 89 6.595 -10.497 0.807 1.00 0.00 H new ATOM 0 HA ASP A 89 6.889 -11.624 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.879 -10.457 -1.853 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.857 -9.129 -2.445 1.00 0.00 H new ATOM 1113 N VAL A 90 8.518 -9.116 -2.437 1.00 0.00 N ATOM 1114 CA VAL A 90 9.762 -8.810 -3.121 1.00 0.00 C ATOM 1115 C VAL A 90 10.931 -8.685 -2.147 1.00 0.00 C ATOM 1116 O VAL A 90 12.004 -9.237 -2.383 1.00 0.00 O ATOM 1117 CB VAL A 90 9.642 -7.534 -3.983 1.00 0.00 C ATOM 1118 CG1 VAL A 90 8.955 -7.847 -5.300 1.00 0.00 C ATOM 1119 CG2 VAL A 90 8.874 -6.447 -3.251 1.00 0.00 C ATOM 0 H VAL A 90 7.827 -8.366 -2.456 1.00 0.00 H new ATOM 0 HA VAL A 90 9.965 -9.650 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 90 10.651 -7.171 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.878 -6.937 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.536 -8.590 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.957 -8.239 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.806 -5.561 -3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 90 7.871 -6.804 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.393 -6.194 -2.327 1.00 0.00 H new ATOM 1129 N LEU A 91 10.727 -7.954 -1.062 1.00 0.00 N ATOM 1130 CA LEU A 91 11.769 -7.792 -0.057 1.00 0.00 C ATOM 1131 C LEU A 91 11.681 -8.868 1.025 1.00 0.00 C ATOM 1132 O LEU A 91 12.696 -9.413 1.452 1.00 0.00 O ATOM 1133 CB LEU A 91 11.721 -6.379 0.548 1.00 0.00 C ATOM 1134 CG LEU A 91 10.400 -5.960 1.202 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.401 -6.277 2.691 1.00 0.00 C ATOM 1136 CD2 LEU A 91 10.149 -4.480 0.980 1.00 0.00 C ATOM 0 H LEU A 91 9.856 -7.466 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 91 12.733 -7.916 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.511 -6.300 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.954 -5.662 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 91 9.596 -6.529 0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.452 -5.969 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.536 -7.349 2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.216 -5.740 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.207 -4.196 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.962 -3.903 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 91 10.097 -4.276 -0.090 1.00 0.00 H new ATOM 1148 N SER A 92 10.463 -9.182 1.455 1.00 0.00 N ATOM 1149 CA SER A 92 10.258 -10.108 2.562 1.00 0.00 C ATOM 1150 C SER A 92 10.430 -11.553 2.102 1.00 0.00 C ATOM 1151 O SER A 92 11.072 -12.347 2.787 1.00 0.00 O ATOM 1152 CB SER A 92 8.859 -9.898 3.152 1.00 0.00 C ATOM 1153 OG SER A 92 8.705 -10.549 4.401 1.00 0.00 O ATOM 0 H SER A 92 9.603 -8.808 1.053 1.00 0.00 H new ATOM 0 HA SER A 92 11.006 -9.910 3.329 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.674 -8.831 3.274 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.111 -10.273 2.453 1.00 0.00 H new ATOM 0 HG SER A 92 7.801 -10.389 4.744 1.00 0.00 H new ATOM 1159 N SER A 93 9.875 -11.871 0.932 1.00 0.00 N ATOM 1160 CA SER A 93 9.922 -13.225 0.388 1.00 0.00 C ATOM 1161 C SER A 93 9.221 -14.205 1.332 1.00 0.00 C ATOM 1162 O SER A 93 9.846 -14.789 2.220 1.00 0.00 O ATOM 1163 CB SER A 93 11.379 -13.648 0.140 1.00 0.00 C ATOM 1164 OG SER A 93 11.456 -14.906 -0.514 1.00 0.00 O ATOM 0 H SER A 93 9.384 -11.201 0.340 1.00 0.00 H new ATOM 0 HA SER A 93 9.395 -13.239 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.880 -12.892 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.910 -13.699 1.090 1.00 0.00 H new ATOM 0 HG SER A 93 12.396 -15.143 -0.657 1.00 0.00 H new ATOM 1170 N GLY A 94 7.915 -14.367 1.147 1.00 0.00 N ATOM 1171 CA GLY A 94 7.162 -15.274 1.995 1.00 0.00 C ATOM 1172 C GLY A 94 5.786 -14.749 2.356 1.00 0.00 C ATOM 1173 O GLY A 94 5.433 -14.676 3.531 1.00 0.00 O ATOM 0 H GLY A 94 7.367 -13.890 0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 94 7.056 -16.233 1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 94 7.725 -15.458 2.910 1.00 0.00 H new ATOM 1177 N THR A 95 5.009 -14.387 1.342 1.00 0.00 N ATOM 1178 CA THR A 95 3.641 -13.916 1.535 1.00 0.00 C ATOM 1179 C THR A 95 2.775 -14.305 0.342 1.00 0.00 C ATOM 1180 O THR A 95 3.271 -14.906 -0.607 1.00 0.00 O ATOM 1181 CB THR A 95 3.579 -12.386 1.715 1.00 0.00 C ATOM 1182 OG1 THR A 95 4.456 -11.744 0.778 1.00 0.00 O ATOM 1183 CG2 THR A 95 3.951 -11.986 3.131 1.00 0.00 C ATOM 0 H THR A 95 5.307 -14.411 0.367 1.00 0.00 H new ATOM 0 HA THR A 95 3.266 -14.388 2.443 1.00 0.00 H new ATOM 0 HB THR A 95 2.554 -12.064 1.528 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.970 -11.034 0.308 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.899 -10.902 3.228 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.257 -12.447 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.965 -12.321 3.349 1.00 0.00 H new ATOM 1191 N VAL A 96 1.493 -13.967 0.384 1.00 0.00 N ATOM 1192 CA VAL A 96 0.631 -14.176 -0.771 1.00 0.00 C ATOM 1193 C VAL A 96 1.011 -13.189 -1.872 1.00 0.00 C ATOM 1194 O VAL A 96 1.626 -13.563 -2.873 1.00 0.00 O ATOM 1195 CB VAL A 96 -0.860 -13.998 -0.420 1.00 0.00 C ATOM 1196 CG1 VAL A 96 -1.739 -14.367 -1.607 1.00 0.00 C ATOM 1197 CG2 VAL A 96 -1.229 -14.828 0.799 1.00 0.00 C ATOM 0 H VAL A 96 1.032 -13.552 1.194 1.00 0.00 H new ATOM 0 HA VAL A 96 0.774 -15.202 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.031 -12.948 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.787 -14.235 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.497 -13.724 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.563 -15.407 -1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.285 -14.687 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.040 -15.881 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.627 -14.511 1.651 1.00 0.00 H new ATOM 1207 N GLY A 97 0.657 -11.928 -1.669 1.00 0.00 N ATOM 1208 CA GLY A 97 1.029 -10.894 -2.610 1.00 0.00 C ATOM 1209 C GLY A 97 0.019 -10.746 -3.728 1.00 0.00 C ATOM 1210 O GLY A 97 -0.969 -11.483 -3.787 1.00 0.00 O ATOM 0 H GLY A 97 0.117 -11.603 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.127 -9.945 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.006 -11.126 -3.034 1.00 0.00 H new ATOM 1214 N SER A 98 0.259 -9.785 -4.600 1.00 0.00 N ATOM 1215 CA SER A 98 -0.617 -9.533 -5.731 1.00 0.00 C ATOM 1216 C SER A 98 0.210 -9.015 -6.902 1.00 0.00 C ATOM 1217 O SER A 98 0.186 -9.643 -7.980 1.00 0.00 O ATOM 1218 CB SER A 98 -1.709 -8.527 -5.349 1.00 0.00 C ATOM 1219 OG SER A 98 -2.373 -8.923 -4.154 1.00 0.00 O ATOM 1220 OXT SER A 98 0.930 -8.010 -6.719 1.00 0.00 O ATOM 0 H SER A 98 1.063 -9.159 -4.546 1.00 0.00 H new ATOM 0 HA SER A 98 -1.106 -10.462 -6.024 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.267 -7.540 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.432 -8.444 -6.161 1.00 0.00 H new ATOM 0 HG SER A 98 -3.064 -8.265 -3.930 1.00 0.00 H new TER 1226 SER A 98