USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 578 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 23 CYS SG : rot 160:sc= -0.356 USER MOD Set 1.2: A 25 HIS : no HD1:sc= -1.92 K(o=-2.2,f=-1.4) USER MOD Set 1.3: A 87 SER OG : rot -172:sc= 0.0528 USER MOD Set 2.1: A 24 ASN : amide:sc= -9.56! C(o=-10!,f=-5.4!) USER MOD Set 2.2: A 26 HIS : no HD1:sc= -0.513 K(o=-10,f=-12!) USER MOD Set 2.3: A 33 HIS : no HE2:sc= 0.961 K(o=-10,f=-15!) USER MOD Set 2.4: A 36 THR OG1 : rot 102:sc= -1.19! USER MOD Set 2.5: A 88 THR OG1 : rot -68:sc= 0.0952 USER MOD Single : A 19 SER OG : rot 36:sc= 0.218 USER MOD Single : A 22 GLN : amide:sc= -2.94! K(o=-2.9!,f=-0.21) 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) 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+ -145:sc= 1.31 (180deg=0.932) USER MOD Single : A 54 GLN : amide:sc= -0.265 X(o=-0.26,f=-0.1) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 0.0948 (180deg=-0.252) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= -0.0119 (180deg=-0.163) USER MOD Single : A 64 ASN : amide:sc= -0.969! C(o=-0.97!,f=-3.6!) USER MOD Single : A 66 SER OG : rot 170:sc= 0.395 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 39:sc= -1.81 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.0697 (180deg=-0.325) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0632 K(o=-0.063,f=-1.4) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 114:sc= 0.361 USER MOD Single : A 92 SER OG : rot -130:sc= -0.688 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 19 19.895 -0.272 -2.891 1.00 0.00 N ATOM 2 CA SER A 19 19.564 1.125 -3.228 1.00 0.00 C ATOM 3 C SER A 19 18.052 1.277 -3.371 1.00 0.00 C ATOM 4 O SER A 19 17.302 0.507 -2.769 1.00 0.00 O ATOM 5 CB SER A 19 20.279 1.512 -4.519 1.00 0.00 C ATOM 6 OG SER A 19 21.661 1.190 -4.442 1.00 0.00 O ATOM 0 HA SER A 19 19.897 1.790 -2.431 1.00 0.00 H new ATOM 0 HB2 SER A 19 19.825 0.991 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 19 20.159 2.580 -4.702 1.00 0.00 H new ATOM 0 HG SER A 19 21.775 0.357 -3.939 1.00 0.00 H new ATOM 14 N PHE A 20 17.614 2.278 -4.138 1.00 0.00 N ATOM 15 CA PHE A 20 16.191 2.486 -4.410 1.00 0.00 C ATOM 16 C PHE A 20 15.523 1.181 -4.824 1.00 0.00 C ATOM 17 O PHE A 20 16.009 0.462 -5.701 1.00 0.00 O ATOM 18 CB PHE A 20 15.992 3.545 -5.500 1.00 0.00 C ATOM 19 CG PHE A 20 16.235 4.958 -5.038 1.00 0.00 C ATOM 20 CD1 PHE A 20 17.425 5.306 -4.428 1.00 0.00 C ATOM 21 CD2 PHE A 20 15.274 5.936 -5.227 1.00 0.00 C ATOM 22 CE1 PHE A 20 17.657 6.604 -4.012 1.00 0.00 C ATOM 23 CE2 PHE A 20 15.496 7.237 -4.812 1.00 0.00 C ATOM 24 CZ PHE A 20 16.691 7.570 -4.203 1.00 0.00 C ATOM 0 H PHE A 20 18.228 2.960 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 20 15.725 2.841 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 20 16.662 3.326 -6.331 1.00 0.00 H new ATOM 0 HB3 PHE A 20 14.974 3.470 -5.883 1.00 0.00 H new ATOM 0 HD1 PHE A 20 18.184 4.554 -4.274 1.00 0.00 H new ATOM 0 HD2 PHE A 20 14.339 5.680 -5.704 1.00 0.00 H new ATOM 0 HE1 PHE A 20 18.593 6.861 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 20 14.737 7.990 -4.964 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.868 8.584 -3.877 1.00 0.00 H new ATOM 34 N VAL A 21 14.415 0.882 -4.180 1.00 0.00 N ATOM 35 CA VAL A 21 13.744 -0.391 -4.365 1.00 0.00 C ATOM 36 C VAL A 21 12.230 -0.208 -4.484 1.00 0.00 C ATOM 37 O VAL A 21 11.644 0.673 -3.851 1.00 0.00 O ATOM 38 CB VAL A 21 14.095 -1.345 -3.197 1.00 0.00 C ATOM 39 CG1 VAL A 21 13.921 -0.625 -1.876 1.00 0.00 C ATOM 40 CG2 VAL A 21 13.259 -2.617 -3.232 1.00 0.00 C ATOM 0 H VAL A 21 13.955 1.507 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 21 14.093 -0.833 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 21 15.137 -1.645 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.169 -1.301 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.582 0.241 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.887 -0.297 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.537 -3.258 -2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.202 -2.360 -3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.438 -3.145 -4.169 1.00 0.00 H new ATOM 50 N GLN A 22 11.614 -1.022 -5.331 1.00 0.00 N ATOM 51 CA GLN A 22 10.171 -1.012 -5.509 1.00 0.00 C ATOM 52 C GLN A 22 9.534 -2.144 -4.705 1.00 0.00 C ATOM 53 O GLN A 22 10.099 -3.230 -4.600 1.00 0.00 O ATOM 54 CB GLN A 22 9.828 -1.114 -7.001 1.00 0.00 C ATOM 55 CG GLN A 22 10.656 -2.142 -7.761 1.00 0.00 C ATOM 56 CD GLN A 22 10.021 -3.517 -7.800 1.00 0.00 C ATOM 57 OE1 GLN A 22 10.712 -4.533 -7.794 1.00 0.00 O ATOM 58 NE2 GLN A 22 8.704 -3.561 -7.896 1.00 0.00 N ATOM 0 H GLN A 22 12.100 -1.705 -5.912 1.00 0.00 H new ATOM 0 HA GLN A 22 9.765 -0.072 -5.135 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.772 -1.366 -7.104 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.969 -0.137 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.809 -1.792 -8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.640 -2.218 -7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.164 -2.696 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.228 -4.460 -7.968 1.00 0.00 H new ATOM 67 N CYS A 23 8.369 -1.884 -4.126 1.00 0.00 N ATOM 68 CA CYS A 23 7.744 -2.839 -3.222 1.00 0.00 C ATOM 69 C CYS A 23 6.218 -2.757 -3.274 1.00 0.00 C ATOM 70 O CYS A 23 5.643 -1.685 -3.473 1.00 0.00 O ATOM 71 CB CYS A 23 8.240 -2.586 -1.799 1.00 0.00 C ATOM 72 SG CYS A 23 8.182 -0.850 -1.298 1.00 0.00 S ATOM 0 H CYS A 23 7.840 -1.023 -4.266 1.00 0.00 H new ATOM 0 HA CYS A 23 8.024 -3.843 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.639 -3.174 -1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 23 9.266 -2.944 -1.714 1.00 0.00 H new ATOM 0 HG CYS A 23 8.202 -0.772 -0.001 1.00 0.00 H new ATOM 78 N ASN A 24 5.561 -3.898 -3.102 1.00 0.00 N ATOM 79 CA ASN A 24 4.104 -3.945 -3.079 1.00 0.00 C ATOM 80 C ASN A 24 3.583 -3.454 -1.743 1.00 0.00 C ATOM 81 O ASN A 24 3.831 -4.060 -0.703 1.00 0.00 O ATOM 82 CB ASN A 24 3.580 -5.361 -3.361 1.00 0.00 C ATOM 83 CG ASN A 24 4.443 -6.442 -2.742 1.00 0.00 C ATOM 84 OD1 ASN A 24 4.239 -6.839 -1.594 1.00 0.00 O ATOM 85 ND2 ASN A 24 5.406 -6.934 -3.509 1.00 0.00 N ATOM 0 H ASN A 24 6.014 -4.803 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 24 3.739 -3.289 -3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.564 -5.450 -2.977 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.529 -5.516 -4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.014 -7.672 -3.154 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.539 -6.575 -4.454 1.00 0.00 H new ATOM 92 N HIS A 25 2.867 -2.346 -1.779 1.00 0.00 N ATOM 93 CA HIS A 25 2.323 -1.751 -0.574 1.00 0.00 C ATOM 94 C HIS A 25 1.040 -2.471 -0.194 1.00 0.00 C ATOM 95 O HIS A 25 0.123 -2.598 -1.006 1.00 0.00 O ATOM 96 CB HIS A 25 2.062 -0.256 -0.782 1.00 0.00 C ATOM 97 CG HIS A 25 3.305 0.570 -0.977 1.00 0.00 C ATOM 98 ND1 HIS A 25 4.461 0.083 -1.549 1.00 0.00 N ATOM 99 CD2 HIS A 25 3.567 1.859 -0.660 1.00 0.00 C ATOM 100 CE1 HIS A 25 5.376 1.033 -1.572 1.00 0.00 C ATOM 101 NE2 HIS A 25 4.859 2.124 -1.042 1.00 0.00 N ATOM 0 H HIS A 25 2.648 -1.838 -2.636 1.00 0.00 H new ATOM 0 HA HIS A 25 3.045 -1.855 0.236 1.00 0.00 H new ATOM 0 HB2 HIS A 25 1.416 -0.130 -1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 25 1.516 0.129 0.079 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.884 2.553 -0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.379 0.934 -1.960 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.339 3.017 -0.934 1.00 0.00 H new ATOM 110 N HIS A 26 0.989 -2.974 1.024 1.00 0.00 N ATOM 111 CA HIS A 26 -0.153 -3.755 1.475 1.00 0.00 C ATOM 112 C HIS A 26 -1.168 -2.890 2.201 1.00 0.00 C ATOM 113 O HIS A 26 -0.834 -2.189 3.153 1.00 0.00 O ATOM 114 CB HIS A 26 0.297 -4.911 2.378 1.00 0.00 C ATOM 115 CG HIS A 26 0.911 -6.056 1.630 1.00 0.00 C ATOM 116 ND1 HIS A 26 0.616 -7.376 1.896 1.00 0.00 N ATOM 117 CD2 HIS A 26 1.777 -6.071 0.590 1.00 0.00 C ATOM 118 CE1 HIS A 26 1.267 -8.148 1.046 1.00 0.00 C ATOM 119 NE2 HIS A 26 1.978 -7.381 0.243 1.00 0.00 N ATOM 0 H HIS A 26 1.724 -2.857 1.722 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.633 -4.169 0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.018 -4.534 3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -0.562 -5.276 2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.227 -5.209 0.120 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.224 -9.227 1.014 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.579 -7.709 -0.513 1.00 0.00 H new ATOM 128 N LEU A 27 -2.410 -2.955 1.744 1.00 0.00 N ATOM 129 CA LEU A 27 -3.508 -2.260 2.389 1.00 0.00 C ATOM 130 C LEU A 27 -4.232 -3.252 3.284 1.00 0.00 C ATOM 131 O LEU A 27 -4.602 -4.349 2.847 1.00 0.00 O ATOM 132 CB LEU A 27 -4.464 -1.677 1.329 1.00 0.00 C ATOM 133 CG LEU A 27 -5.403 -0.546 1.792 1.00 0.00 C ATOM 134 CD1 LEU A 27 -6.402 -1.035 2.824 1.00 0.00 C ATOM 135 CD2 LEU A 27 -4.605 0.616 2.355 1.00 0.00 C ATOM 0 H LEU A 27 -2.682 -3.489 0.919 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.134 -1.429 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.865 -1.303 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.077 -2.490 0.939 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.958 -0.207 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.047 -0.210 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.010 -1.831 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.869 -1.416 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.287 1.404 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.017 0.275 3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.937 1.005 1.586 1.00 0.00 H new ATOM 147 N LEU A 28 -4.406 -2.870 4.532 1.00 0.00 N ATOM 148 CA LEU A 28 -4.983 -3.738 5.532 1.00 0.00 C ATOM 149 C LEU A 28 -6.412 -3.332 5.843 1.00 0.00 C ATOM 150 O LEU A 28 -6.699 -2.168 6.125 1.00 0.00 O ATOM 151 CB LEU A 28 -4.140 -3.696 6.806 1.00 0.00 C ATOM 152 CG LEU A 28 -3.475 -5.016 7.190 1.00 0.00 C ATOM 153 CD1 LEU A 28 -4.518 -6.087 7.478 1.00 0.00 C ATOM 154 CD2 LEU A 28 -2.526 -5.465 6.089 1.00 0.00 C ATOM 0 H LEU A 28 -4.150 -1.946 4.880 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.994 -4.755 5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.365 -2.939 6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.774 -3.374 7.632 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.899 -4.860 8.102 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.019 -7.017 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.154 -5.763 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.129 -6.248 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.058 -6.407 6.374 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.083 -5.602 5.162 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.756 -4.708 5.941 1.00 0.00 H new ATOM 166 N TYR A 29 -7.301 -4.296 5.788 1.00 0.00 N ATOM 167 CA TYR A 29 -8.683 -4.080 6.166 1.00 0.00 C ATOM 168 C TYR A 29 -8.892 -4.707 7.529 1.00 0.00 C ATOM 169 O TYR A 29 -8.224 -5.685 7.862 1.00 0.00 O ATOM 170 CB TYR A 29 -9.625 -4.710 5.133 1.00 0.00 C ATOM 171 CG TYR A 29 -11.093 -4.418 5.371 1.00 0.00 C ATOM 172 CD1 TYR A 29 -11.622 -3.162 5.101 1.00 0.00 C ATOM 173 CD2 TYR A 29 -11.950 -5.399 5.854 1.00 0.00 C ATOM 174 CE1 TYR A 29 -12.962 -2.892 5.304 1.00 0.00 C ATOM 175 CE2 TYR A 29 -13.293 -5.134 6.063 1.00 0.00 C ATOM 176 CZ TYR A 29 -13.793 -3.880 5.786 1.00 0.00 C ATOM 177 OH TYR A 29 -15.129 -3.613 5.983 1.00 0.00 O ATOM 0 H TYR A 29 -7.092 -5.246 5.483 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.904 -3.013 6.204 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.351 -4.351 4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.476 -5.790 5.133 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.975 -2.383 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.563 -6.384 6.070 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -13.356 -1.911 5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -13.946 -5.907 6.441 1.00 0.00 H new ATOM 0 HH TYR A 29 -15.576 -4.415 6.325 1.00 0.00 H new ATOM 187 N ASN A 30 -9.777 -4.133 8.332 1.00 0.00 N ATOM 188 CA ASN A 30 -10.070 -4.692 9.644 1.00 0.00 C ATOM 189 C ASN A 30 -10.582 -6.121 9.493 1.00 0.00 C ATOM 190 O ASN A 30 -11.748 -6.349 9.165 1.00 0.00 O ATOM 191 CB ASN A 30 -11.088 -3.815 10.383 1.00 0.00 C ATOM 192 CG ASN A 30 -11.411 -4.336 11.771 1.00 0.00 C ATOM 193 OD1 ASN A 30 -12.373 -5.077 11.957 1.00 0.00 O ATOM 194 ND2 ASN A 30 -10.614 -3.951 12.758 1.00 0.00 N ATOM 0 H ASN A 30 -10.300 -3.288 8.101 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.156 -4.714 10.237 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.698 -2.800 10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.006 -3.759 9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.790 -4.271 13.710 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.824 -3.335 12.565 1.00 0.00 H new ATOM 201 N GLY A 31 -9.687 -7.072 9.716 1.00 0.00 N ATOM 202 CA GLY A 31 -9.994 -8.468 9.495 1.00 0.00 C ATOM 203 C GLY A 31 -8.854 -9.188 8.793 1.00 0.00 C ATOM 204 O GLY A 31 -8.401 -10.239 9.250 1.00 0.00 O ATOM 0 H GLY A 31 -8.740 -6.896 10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.197 -8.952 10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.901 -8.551 8.896 1.00 0.00 H new ATOM 208 N ARG A 32 -8.369 -8.607 7.695 1.00 0.00 N ATOM 209 CA ARG A 32 -7.272 -9.200 6.930 1.00 0.00 C ATOM 210 C ARG A 32 -6.820 -8.253 5.811 1.00 0.00 C ATOM 211 O ARG A 32 -7.412 -7.194 5.612 1.00 0.00 O ATOM 212 CB ARG A 32 -7.692 -10.552 6.330 1.00 0.00 C ATOM 213 CG ARG A 32 -6.516 -11.454 5.977 1.00 0.00 C ATOM 214 CD ARG A 32 -6.005 -12.241 7.180 1.00 0.00 C ATOM 215 NE ARG A 32 -6.047 -11.477 8.430 1.00 0.00 N ATOM 216 CZ ARG A 32 -4.989 -11.260 9.210 1.00 0.00 C ATOM 217 NH1 ARG A 32 -3.774 -11.618 8.804 1.00 0.00 N ATOM 218 NH2 ARG A 32 -5.143 -10.666 10.388 1.00 0.00 N ATOM 0 H ARG A 32 -8.718 -7.727 7.316 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.438 -9.364 7.613 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.337 -11.071 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.284 -10.374 5.433 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.817 -12.149 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.706 -10.848 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.602 -13.146 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.980 -12.558 6.990 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.943 -11.087 8.721 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.650 -12.060 7.893 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.966 -11.450 9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.071 -10.376 10.695 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.333 -10.500 10.985 1.00 0.00 H new ATOM 232 N HIS A 33 -5.761 -8.636 5.100 1.00 0.00 N ATOM 233 CA HIS A 33 -5.264 -7.881 3.948 1.00 0.00 C ATOM 234 C HIS A 33 -6.378 -7.650 2.923 1.00 0.00 C ATOM 235 O HIS A 33 -7.183 -8.544 2.656 1.00 0.00 O ATOM 236 CB HIS A 33 -4.103 -8.649 3.304 1.00 0.00 C ATOM 237 CG HIS A 33 -3.579 -8.042 2.035 1.00 0.00 C ATOM 238 ND1 HIS A 33 -3.911 -8.516 0.787 1.00 0.00 N ATOM 239 CD2 HIS A 33 -2.722 -7.013 1.824 1.00 0.00 C ATOM 240 CE1 HIS A 33 -3.285 -7.814 -0.133 1.00 0.00 C ATOM 241 NE2 HIS A 33 -2.556 -6.894 0.466 1.00 0.00 N ATOM 0 H HIS A 33 -5.223 -9.478 5.305 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.915 -6.906 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.286 -8.717 4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -4.430 -9.668 3.096 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.546 -9.293 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.257 -6.401 2.582 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.357 -7.966 -1.200 1.00 0.00 H new ATOM 250 N TRP A 34 -6.415 -6.446 2.357 1.00 0.00 N ATOM 251 CA TRP A 34 -7.460 -6.087 1.402 1.00 0.00 C ATOM 252 C TRP A 34 -6.920 -6.015 -0.029 1.00 0.00 C ATOM 253 O TRP A 34 -7.421 -6.694 -0.921 1.00 0.00 O ATOM 254 CB TRP A 34 -8.091 -4.748 1.797 1.00 0.00 C ATOM 255 CG TRP A 34 -9.341 -4.422 1.033 1.00 0.00 C ATOM 256 CD1 TRP A 34 -10.597 -4.886 1.292 1.00 0.00 C ATOM 257 CD2 TRP A 34 -9.458 -3.561 -0.106 1.00 0.00 C ATOM 258 NE1 TRP A 34 -11.488 -4.372 0.383 1.00 0.00 N ATOM 259 CE2 TRP A 34 -10.816 -3.555 -0.488 1.00 0.00 C ATOM 260 CE3 TRP A 34 -8.549 -2.797 -0.843 1.00 0.00 C ATOM 261 CZ2 TRP A 34 -11.282 -2.816 -1.572 1.00 0.00 C ATOM 262 CZ3 TRP A 34 -9.013 -2.063 -1.917 1.00 0.00 C ATOM 263 CH2 TRP A 34 -10.369 -2.076 -2.273 1.00 0.00 C ATOM 0 H TRP A 34 -5.737 -5.706 2.542 1.00 0.00 H new ATOM 0 HA TRP A 34 -8.220 -6.868 1.428 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -8.321 -4.765 2.862 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -7.362 -3.953 1.641 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -10.853 -5.560 2.096 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -12.489 -4.567 0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -7.502 -2.781 -0.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -12.326 -2.826 -1.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -8.319 -1.469 -2.493 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -10.700 -1.490 -3.118 1.00 0.00 H new ATOM 274 N GLY A 35 -5.893 -5.198 -0.246 1.00 0.00 N ATOM 275 CA GLY A 35 -5.350 -5.025 -1.587 1.00 0.00 C ATOM 276 C GLY A 35 -3.914 -4.571 -1.561 1.00 0.00 C ATOM 277 O GLY A 35 -3.403 -4.193 -0.504 1.00 0.00 O ATOM 0 H GLY A 35 -5.426 -4.653 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.423 -5.966 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.951 -4.296 -2.130 1.00 0.00 H new ATOM 281 N THR A 36 -3.246 -4.628 -2.704 1.00 0.00 N ATOM 282 CA THR A 36 -1.851 -4.284 -2.765 1.00 0.00 C ATOM 283 C THR A 36 -1.450 -3.753 -4.145 1.00 0.00 C ATOM 284 O THR A 36 -1.872 -4.281 -5.175 1.00 0.00 O ATOM 285 CB THR A 36 -1.022 -5.520 -2.377 1.00 0.00 C ATOM 286 OG1 THR A 36 -0.668 -5.434 -0.996 1.00 0.00 O ATOM 287 CG2 THR A 36 0.212 -5.664 -3.236 1.00 0.00 C ATOM 0 H THR A 36 -3.655 -4.910 -3.595 1.00 0.00 H new ATOM 0 HA THR A 36 -1.654 -3.475 -2.061 1.00 0.00 H new ATOM 0 HB THR A 36 -1.630 -6.409 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 36 -1.254 -6.018 -0.471 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.768 -6.549 -2.928 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.082 -5.765 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.841 -4.782 -3.120 1.00 0.00 H new ATOM 295 N ILE A 37 -0.655 -2.686 -4.139 1.00 0.00 N ATOM 296 CA ILE A 37 -0.091 -2.116 -5.356 1.00 0.00 C ATOM 297 C ILE A 37 1.427 -2.017 -5.201 1.00 0.00 C ATOM 298 O ILE A 37 1.917 -1.544 -4.173 1.00 0.00 O ATOM 299 CB ILE A 37 -0.659 -0.703 -5.675 1.00 0.00 C ATOM 300 CG1 ILE A 37 -2.177 -0.725 -5.903 1.00 0.00 C ATOM 301 CG2 ILE A 37 0.032 -0.112 -6.894 1.00 0.00 C ATOM 302 CD1 ILE A 37 -2.999 -0.718 -4.632 1.00 0.00 C ATOM 0 H ILE A 37 -0.384 -2.193 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.363 -2.773 -6.182 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.461 -0.079 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.454 0.140 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.433 -1.612 -6.482 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.379 0.876 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.101 -0.027 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.131 -0.761 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.059 -0.735 -4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.754 -1.597 -4.035 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.776 0.183 -4.060 1.00 0.00 H new ATOM 314 N ARG A 38 2.172 -2.458 -6.205 1.00 0.00 N ATOM 315 CA ARG A 38 3.627 -2.472 -6.113 1.00 0.00 C ATOM 316 C ARG A 38 4.219 -1.199 -6.720 1.00 0.00 C ATOM 317 O ARG A 38 4.119 -0.964 -7.924 1.00 0.00 O ATOM 318 CB ARG A 38 4.194 -3.731 -6.781 1.00 0.00 C ATOM 319 CG ARG A 38 5.701 -3.869 -6.641 1.00 0.00 C ATOM 320 CD ARG A 38 6.153 -5.317 -6.779 1.00 0.00 C ATOM 321 NE ARG A 38 5.663 -5.938 -8.005 1.00 0.00 N ATOM 322 CZ ARG A 38 5.671 -7.254 -8.234 1.00 0.00 C ATOM 323 NH1 ARG A 38 6.176 -8.096 -7.335 1.00 0.00 N ATOM 324 NH2 ARG A 38 5.176 -7.725 -9.365 1.00 0.00 N ATOM 0 H ARG A 38 1.798 -2.809 -7.087 1.00 0.00 H new ATOM 0 HA ARG A 38 3.910 -2.497 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.715 -4.609 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.936 -3.718 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.193 -3.261 -7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.013 -3.482 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.242 -5.358 -6.764 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.801 -5.888 -5.920 1.00 0.00 H new ATOM 0 HE ARG A 38 5.291 -5.329 -8.733 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.562 -7.738 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.177 -9.099 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.790 -7.084 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.180 -8.729 -9.544 1.00 0.00 H new ATOM 338 N LYS A 39 4.832 -0.386 -5.864 1.00 0.00 N ATOM 339 CA LYS A 39 5.388 0.907 -6.254 1.00 0.00 C ATOM 340 C LYS A 39 6.747 1.120 -5.593 1.00 0.00 C ATOM 341 O LYS A 39 7.028 0.541 -4.541 1.00 0.00 O ATOM 342 CB LYS A 39 4.436 2.042 -5.852 1.00 0.00 C ATOM 343 CG LYS A 39 3.136 2.064 -6.639 1.00 0.00 C ATOM 344 CD LYS A 39 3.380 2.369 -8.108 1.00 0.00 C ATOM 345 CE LYS A 39 2.093 2.291 -8.909 1.00 0.00 C ATOM 346 NZ LYS A 39 2.308 2.624 -10.342 1.00 0.00 N ATOM 0 H LYS A 39 4.958 -0.606 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 39 5.512 0.914 -7.337 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.205 1.950 -4.791 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.947 2.996 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.636 1.100 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.466 2.813 -6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.813 3.364 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.106 1.663 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.676 1.287 -8.829 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.359 2.976 -8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.404 2.559 -10.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.682 3.591 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.989 1.955 -10.756 1.00 0.00 H new ATOM 360 N LYS A 40 7.589 1.931 -6.221 1.00 0.00 N ATOM 361 CA LYS A 40 8.918 2.226 -5.690 1.00 0.00 C ATOM 362 C LYS A 40 8.831 3.051 -4.405 1.00 0.00 C ATOM 363 O LYS A 40 7.824 3.713 -4.138 1.00 0.00 O ATOM 364 CB LYS A 40 9.759 2.971 -6.735 1.00 0.00 C ATOM 365 CG LYS A 40 9.967 2.186 -8.021 1.00 0.00 C ATOM 366 CD LYS A 40 10.979 2.856 -8.938 1.00 0.00 C ATOM 367 CE LYS A 40 12.361 2.910 -8.303 1.00 0.00 C ATOM 368 NZ LYS A 40 13.395 3.389 -9.261 1.00 0.00 N ATOM 0 H LYS A 40 7.376 2.399 -7.102 1.00 0.00 H new ATOM 0 HA LYS A 40 9.400 1.277 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.274 3.918 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.731 3.210 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.307 1.179 -7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.015 2.085 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.032 2.312 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.646 3.867 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.336 3.570 -7.436 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.633 1.918 -7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.322 3.411 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.437 2.745 -10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.150 4.346 -9.587 1.00 0.00 H new ATOM 382 N ALA A 41 9.890 2.990 -3.608 1.00 0.00 N ATOM 383 CA ALA A 41 9.952 3.706 -2.341 1.00 0.00 C ATOM 384 C ALA A 41 10.056 5.211 -2.557 1.00 0.00 C ATOM 385 O ALA A 41 10.728 5.674 -3.478 1.00 0.00 O ATOM 386 CB ALA A 41 11.127 3.207 -1.518 1.00 0.00 C ATOM 0 H ALA A 41 10.726 2.446 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 41 9.027 3.512 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.165 3.748 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.007 2.142 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 41 12.053 3.373 -2.068 1.00 0.00 H new ATOM 392 N GLY A 42 9.387 5.966 -1.694 1.00 0.00 N ATOM 393 CA GLY A 42 9.383 7.413 -1.809 1.00 0.00 C ATOM 394 C GLY A 42 8.354 7.912 -2.800 1.00 0.00 C ATOM 395 O GLY A 42 8.348 9.087 -3.160 1.00 0.00 O ATOM 0 H GLY A 42 8.844 5.600 -0.912 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.184 7.852 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.372 7.753 -2.115 1.00 0.00 H new ATOM 399 N TRP A 43 7.480 7.019 -3.232 1.00 0.00 N ATOM 400 CA TRP A 43 6.450 7.357 -4.203 1.00 0.00 C ATOM 401 C TRP A 43 5.072 7.190 -3.586 1.00 0.00 C ATOM 402 O TRP A 43 4.904 6.443 -2.617 1.00 0.00 O ATOM 403 CB TRP A 43 6.576 6.480 -5.450 1.00 0.00 C ATOM 404 CG TRP A 43 7.722 6.864 -6.341 1.00 0.00 C ATOM 405 CD1 TRP A 43 9.050 6.610 -6.137 1.00 0.00 C ATOM 406 CD2 TRP A 43 7.639 7.576 -7.582 1.00 0.00 C ATOM 407 NE1 TRP A 43 9.794 7.128 -7.171 1.00 0.00 N ATOM 408 CE2 TRP A 43 8.951 7.719 -8.071 1.00 0.00 C ATOM 409 CE3 TRP A 43 6.581 8.103 -8.327 1.00 0.00 C ATOM 410 CZ2 TRP A 43 9.233 8.370 -9.269 1.00 0.00 C ATOM 411 CZ3 TRP A 43 6.862 8.748 -9.517 1.00 0.00 C ATOM 412 CH2 TRP A 43 8.178 8.875 -9.978 1.00 0.00 C ATOM 0 H TRP A 43 7.463 6.047 -2.924 1.00 0.00 H new ATOM 0 HA TRP A 43 6.583 8.398 -4.497 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.698 5.441 -5.143 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.649 6.537 -6.020 1.00 0.00 H new ATOM 0 HD1 TRP A 43 9.455 6.080 -5.288 1.00 0.00 H new ATOM 0 HE1 TRP A 43 10.810 7.079 -7.253 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.563 8.008 -7.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.247 8.472 -9.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.053 9.161 -10.101 1.00 0.00 H new ATOM 0 HH2 TRP A 43 8.364 9.382 -10.913 1.00 0.00 H new ATOM 423 N ALA A 44 4.095 7.892 -4.141 1.00 0.00 N ATOM 424 CA ALA A 44 2.743 7.867 -3.623 1.00 0.00 C ATOM 425 C ALA A 44 1.918 6.775 -4.280 1.00 0.00 C ATOM 426 O ALA A 44 1.730 6.769 -5.498 1.00 0.00 O ATOM 427 CB ALA A 44 2.081 9.213 -3.838 1.00 0.00 C ATOM 0 H ALA A 44 4.220 8.490 -4.958 1.00 0.00 H new ATOM 0 HA ALA A 44 2.796 7.654 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.064 9.185 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.649 9.985 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.052 9.438 -4.904 1.00 0.00 H new ATOM 433 N VAL A 45 1.421 5.861 -3.468 1.00 0.00 N ATOM 434 CA VAL A 45 0.565 4.798 -3.955 1.00 0.00 C ATOM 435 C VAL A 45 -0.878 5.082 -3.557 1.00 0.00 C ATOM 436 O VAL A 45 -1.139 5.587 -2.459 1.00 0.00 O ATOM 437 CB VAL A 45 1.008 3.419 -3.417 1.00 0.00 C ATOM 438 CG1 VAL A 45 0.884 3.356 -1.908 1.00 0.00 C ATOM 439 CG2 VAL A 45 0.211 2.297 -4.063 1.00 0.00 C ATOM 0 H VAL A 45 1.597 5.834 -2.464 1.00 0.00 H new ATOM 0 HA VAL A 45 0.645 4.766 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 45 2.058 3.286 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.202 2.374 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.514 4.124 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.154 3.525 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.544 1.338 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.849 2.431 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.365 2.316 -5.142 1.00 0.00 H new ATOM 449 N ARG A 46 -1.804 4.785 -4.449 1.00 0.00 N ATOM 450 CA ARG A 46 -3.202 5.067 -4.199 1.00 0.00 C ATOM 451 C ARG A 46 -3.907 3.838 -3.644 1.00 0.00 C ATOM 452 O ARG A 46 -3.722 2.723 -4.131 1.00 0.00 O ATOM 453 CB ARG A 46 -3.895 5.563 -5.483 1.00 0.00 C ATOM 454 CG ARG A 46 -4.329 4.468 -6.460 1.00 0.00 C ATOM 455 CD ARG A 46 -3.158 3.666 -7.019 1.00 0.00 C ATOM 456 NE ARG A 46 -2.140 4.518 -7.633 1.00 0.00 N ATOM 457 CZ ARG A 46 -1.436 4.183 -8.715 1.00 0.00 C ATOM 458 NH1 ARG A 46 -1.642 3.019 -9.317 1.00 0.00 N ATOM 459 NH2 ARG A 46 -0.522 5.016 -9.188 1.00 0.00 N ATOM 0 H ARG A 46 -1.613 4.349 -5.351 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.263 5.859 -3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.773 6.143 -5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.218 6.242 -6.002 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.017 3.790 -5.955 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.877 4.922 -7.285 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.705 3.084 -6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.528 2.956 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.957 5.426 -7.206 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.343 2.373 -8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.100 2.770 -10.144 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.358 5.910 -8.725 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.019 4.764 -10.015 1.00 0.00 H new ATOM 473 N PHE A 47 -4.680 4.047 -2.598 1.00 0.00 N ATOM 474 CA PHE A 47 -5.535 3.012 -2.063 1.00 0.00 C ATOM 475 C PHE A 47 -6.953 3.537 -1.999 1.00 0.00 C ATOM 476 O PHE A 47 -7.210 4.590 -1.414 1.00 0.00 O ATOM 477 CB PHE A 47 -5.082 2.571 -0.672 1.00 0.00 C ATOM 478 CG PHE A 47 -3.744 1.892 -0.646 1.00 0.00 C ATOM 479 CD1 PHE A 47 -3.565 0.661 -1.253 1.00 0.00 C ATOM 480 CD2 PHE A 47 -2.670 2.480 -0.001 1.00 0.00 C ATOM 481 CE1 PHE A 47 -2.337 0.028 -1.217 1.00 0.00 C ATOM 482 CE2 PHE A 47 -1.443 1.851 0.041 1.00 0.00 C ATOM 483 CZ PHE A 47 -1.276 0.624 -0.570 1.00 0.00 C ATOM 0 H PHE A 47 -4.732 4.935 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.480 2.142 -2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -5.046 3.444 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.828 1.894 -0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.394 0.190 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.794 3.442 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.209 -0.932 -1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.614 2.318 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.315 0.132 -0.541 1.00 0.00 H new ATOM 493 N TYR A 48 -7.864 2.817 -2.611 1.00 0.00 N ATOM 494 CA TYR A 48 -9.250 3.234 -2.670 1.00 0.00 C ATOM 495 C TYR A 48 -10.158 2.019 -2.663 1.00 0.00 C ATOM 496 O TYR A 48 -9.796 0.958 -3.175 1.00 0.00 O ATOM 497 CB TYR A 48 -9.499 4.090 -3.918 1.00 0.00 C ATOM 498 CG TYR A 48 -9.162 3.407 -5.223 1.00 0.00 C ATOM 499 CD1 TYR A 48 -7.862 3.399 -5.712 1.00 0.00 C ATOM 500 CD2 TYR A 48 -10.147 2.777 -5.969 1.00 0.00 C ATOM 501 CE1 TYR A 48 -7.554 2.784 -6.908 1.00 0.00 C ATOM 502 CE2 TYR A 48 -9.846 2.157 -7.165 1.00 0.00 C ATOM 503 CZ TYR A 48 -8.549 2.163 -7.629 1.00 0.00 C ATOM 504 OH TYR A 48 -8.244 1.549 -8.825 1.00 0.00 O ATOM 0 H TYR A 48 -7.670 1.932 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.474 3.840 -1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.548 4.385 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.912 5.005 -3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -7.079 3.882 -5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.165 2.771 -5.609 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -6.539 2.790 -7.276 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.624 1.670 -7.734 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.057 1.157 -9.208 1.00 0.00 H new ATOM 514 N GLU A 49 -11.330 2.178 -2.078 1.00 0.00 N ATOM 515 CA GLU A 49 -12.266 1.081 -1.956 1.00 0.00 C ATOM 516 C GLU A 49 -13.136 1.014 -3.199 1.00 0.00 C ATOM 517 O GLU A 49 -13.745 2.007 -3.604 1.00 0.00 O ATOM 518 CB GLU A 49 -13.133 1.228 -0.693 1.00 0.00 C ATOM 519 CG GLU A 49 -14.034 2.454 -0.703 1.00 0.00 C ATOM 520 CD GLU A 49 -14.962 2.524 0.496 1.00 0.00 C ATOM 521 OE1 GLU A 49 -15.756 1.584 0.695 1.00 0.00 O ATOM 522 OE2 GLU A 49 -14.920 3.534 1.234 1.00 0.00 O ATOM 0 H GLU A 49 -11.655 3.059 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.704 0.152 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.750 0.336 -0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.481 1.275 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.416 3.351 -0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.630 2.452 -1.616 1.00 0.00 H new ATOM 529 N GLU A 50 -13.154 -0.143 -3.827 1.00 0.00 N ATOM 530 CA GLU A 50 -14.022 -0.366 -4.959 1.00 0.00 C ATOM 531 C GLU A 50 -14.827 -1.635 -4.754 1.00 0.00 C ATOM 532 O GLU A 50 -14.324 -2.755 -4.873 1.00 0.00 O ATOM 533 CB GLU A 50 -13.243 -0.400 -6.278 1.00 0.00 C ATOM 534 CG GLU A 50 -12.118 -1.415 -6.343 1.00 0.00 C ATOM 535 CD GLU A 50 -11.553 -1.519 -7.740 1.00 0.00 C ATOM 536 OE1 GLU A 50 -10.745 -0.655 -8.123 1.00 0.00 O ATOM 537 OE2 GLU A 50 -11.948 -2.442 -8.479 1.00 0.00 O ATOM 0 H GLU A 50 -12.576 -0.943 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 50 -14.713 0.474 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.942 -0.606 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.827 0.591 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.327 -1.130 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.486 -2.390 -6.024 1.00 0.00 H new ATOM 544 N LYS A 51 -16.076 -1.437 -4.391 1.00 0.00 N ATOM 545 CA LYS A 51 -16.999 -2.524 -4.152 1.00 0.00 C ATOM 546 C LYS A 51 -17.944 -2.624 -5.334 1.00 0.00 C ATOM 547 O LYS A 51 -18.664 -1.674 -5.624 1.00 0.00 O ATOM 548 CB LYS A 51 -17.757 -2.260 -2.850 1.00 0.00 C ATOM 549 CG LYS A 51 -16.829 -2.094 -1.653 1.00 0.00 C ATOM 550 CD LYS A 51 -17.513 -1.420 -0.471 1.00 0.00 C ATOM 551 CE LYS A 51 -18.014 -0.031 -0.835 1.00 0.00 C ATOM 552 NZ LYS A 51 -18.236 0.814 0.366 1.00 0.00 N ATOM 0 H LYS A 51 -16.481 -0.511 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.469 -3.471 -4.049 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.362 -1.361 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.444 -3.085 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.460 -3.073 -1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.961 -1.505 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.349 -2.033 -0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.815 -1.349 0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.291 0.454 -1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.945 -0.117 -1.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -19.055 1.434 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -18.417 0.206 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.391 1.395 0.543 1.00 0.00 H new ATOM 566 N PRO A 52 -17.926 -3.770 -6.041 1.00 0.00 N ATOM 567 CA PRO A 52 -18.666 -3.966 -7.291 1.00 0.00 C ATOM 568 C PRO A 52 -20.083 -3.404 -7.241 1.00 0.00 C ATOM 569 O PRO A 52 -20.918 -3.844 -6.443 1.00 0.00 O ATOM 570 CB PRO A 52 -18.696 -5.492 -7.469 1.00 0.00 C ATOM 571 CG PRO A 52 -18.031 -6.070 -6.259 1.00 0.00 C ATOM 572 CD PRO A 52 -17.184 -4.979 -5.673 1.00 0.00 C ATOM 0 HA PRO A 52 -18.190 -3.439 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.721 -5.853 -7.559 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -18.173 -5.788 -8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -18.772 -6.415 -5.538 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -17.421 -6.933 -6.527 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -17.083 -5.080 -4.592 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -16.177 -4.979 -6.089 1.00 0.00 H new ATOM 580 N GLY A 53 -20.337 -2.424 -8.100 1.00 0.00 N ATOM 581 CA GLY A 53 -21.631 -1.770 -8.136 1.00 0.00 C ATOM 582 C GLY A 53 -21.576 -0.370 -7.559 1.00 0.00 C ATOM 583 O GLY A 53 -22.436 0.463 -7.838 1.00 0.00 O ATOM 0 H GLY A 53 -19.663 -2.068 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -21.985 -1.724 -9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -22.353 -2.365 -7.577 1.00 0.00 H new ATOM 587 N GLN A 54 -20.558 -0.114 -6.754 1.00 0.00 N ATOM 588 CA GLN A 54 -20.391 1.174 -6.101 1.00 0.00 C ATOM 589 C GLN A 54 -19.124 1.869 -6.585 1.00 0.00 C ATOM 590 O GLN A 54 -18.109 1.216 -6.849 1.00 0.00 O ATOM 591 CB GLN A 54 -20.336 0.972 -4.589 1.00 0.00 C ATOM 592 CG GLN A 54 -21.589 0.324 -4.030 1.00 0.00 C ATOM 593 CD GLN A 54 -21.453 -0.053 -2.574 1.00 0.00 C ATOM 594 OE1 GLN A 54 -21.722 0.749 -1.681 1.00 0.00 O ATOM 595 NE2 GLN A 54 -21.049 -1.286 -2.323 1.00 0.00 N ATOM 0 H GLN A 54 -19.827 -0.790 -6.535 1.00 0.00 H new ATOM 0 HA GLN A 54 -21.240 1.809 -6.354 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.473 0.354 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.186 1.937 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -22.429 1.008 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -21.822 -0.568 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -20.836 -1.920 -3.093 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.950 -1.604 -1.359 1.00 0.00 H new ATOM 604 N PRO A 55 -19.181 3.205 -6.721 1.00 0.00 N ATOM 605 CA PRO A 55 -18.034 4.020 -7.133 1.00 0.00 C ATOM 606 C PRO A 55 -16.908 3.975 -6.110 1.00 0.00 C ATOM 607 O PRO A 55 -17.114 3.636 -4.942 1.00 0.00 O ATOM 608 CB PRO A 55 -18.608 5.438 -7.234 1.00 0.00 C ATOM 609 CG PRO A 55 -20.086 5.258 -7.294 1.00 0.00 C ATOM 610 CD PRO A 55 -20.375 4.026 -6.491 1.00 0.00 C ATOM 0 HA PRO A 55 -17.596 3.663 -8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -18.319 6.042 -6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -18.237 5.951 -8.122 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -20.603 6.125 -6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -20.425 5.143 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -20.512 4.254 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -21.282 3.525 -6.829 1.00 0.00 H new ATOM 618 N LYS A 56 -15.730 4.360 -6.557 1.00 0.00 N ATOM 619 CA LYS A 56 -14.508 4.181 -5.796 1.00 0.00 C ATOM 620 C LYS A 56 -14.222 5.395 -4.925 1.00 0.00 C ATOM 621 O LYS A 56 -14.477 6.533 -5.319 1.00 0.00 O ATOM 622 CB LYS A 56 -13.364 3.942 -6.776 1.00 0.00 C ATOM 623 CG LYS A 56 -13.674 2.845 -7.782 1.00 0.00 C ATOM 624 CD LYS A 56 -12.927 3.052 -9.085 1.00 0.00 C ATOM 625 CE LYS A 56 -13.300 1.998 -10.114 1.00 0.00 C ATOM 626 NZ LYS A 56 -13.090 0.615 -9.608 1.00 0.00 N ATOM 0 H LYS A 56 -15.592 4.808 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.615 3.325 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.148 4.868 -7.309 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.464 3.677 -6.221 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.406 1.877 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.746 2.822 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.150 4.043 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.853 3.017 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -14.345 2.124 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.705 2.147 -11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.127 -0.055 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.161 0.552 -9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.835 0.379 -8.922 1.00 0.00 H new ATOM 640 N ARG A 57 -13.693 5.154 -3.741 1.00 0.00 N ATOM 641 CA ARG A 57 -13.390 6.232 -2.818 1.00 0.00 C ATOM 642 C ARG A 57 -12.006 6.030 -2.225 1.00 0.00 C ATOM 643 O ARG A 57 -11.668 4.925 -1.805 1.00 0.00 O ATOM 644 CB ARG A 57 -14.430 6.286 -1.700 1.00 0.00 C ATOM 645 CG ARG A 57 -14.372 7.566 -0.885 1.00 0.00 C ATOM 646 CD ARG A 57 -15.205 8.676 -1.515 1.00 0.00 C ATOM 647 NE ARG A 57 -14.876 8.925 -2.922 1.00 0.00 N ATOM 648 CZ ARG A 57 -14.958 10.126 -3.499 1.00 0.00 C ATOM 649 NH1 ARG A 57 -15.319 11.184 -2.784 1.00 0.00 N ATOM 650 NH2 ARG A 57 -14.691 10.263 -4.790 1.00 0.00 N ATOM 0 H ARG A 57 -13.464 4.222 -3.395 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.414 7.175 -3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.425 6.185 -2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.284 5.434 -1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.732 7.370 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.336 7.894 -0.797 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.261 8.416 -1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.060 9.595 -0.948 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.567 8.137 -3.491 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.534 11.080 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.381 12.101 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.422 9.450 -5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.754 11.181 -5.229 1.00 0.00 H new ATOM 664 N LEU A 58 -11.207 7.089 -2.204 1.00 0.00 N ATOM 665 CA LEU A 58 -9.855 7.012 -1.665 1.00 0.00 C ATOM 666 C LEU A 58 -9.877 6.694 -0.178 1.00 0.00 C ATOM 667 O LEU A 58 -10.538 7.375 0.607 1.00 0.00 O ATOM 668 CB LEU A 58 -9.092 8.314 -1.910 1.00 0.00 C ATOM 669 CG LEU A 58 -8.378 8.399 -3.256 1.00 0.00 C ATOM 670 CD1 LEU A 58 -7.632 9.716 -3.388 1.00 0.00 C ATOM 671 CD2 LEU A 58 -7.424 7.225 -3.415 1.00 0.00 C ATOM 0 H LEU A 58 -11.471 8.010 -2.553 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.340 6.204 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.791 9.147 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.356 8.441 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.125 8.354 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.131 9.755 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.338 10.543 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.892 9.796 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.919 7.294 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.684 7.247 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.984 6.291 -3.365 1.00 0.00 H new ATOM 683 N VAL A 59 -9.148 5.657 0.198 1.00 0.00 N ATOM 684 CA VAL A 59 -9.116 5.209 1.581 1.00 0.00 C ATOM 685 C VAL A 59 -7.740 5.433 2.187 1.00 0.00 C ATOM 686 O VAL A 59 -7.582 5.401 3.408 1.00 0.00 O ATOM 687 CB VAL A 59 -9.497 3.718 1.721 1.00 0.00 C ATOM 688 CG1 VAL A 59 -10.864 3.457 1.119 1.00 0.00 C ATOM 689 CG2 VAL A 59 -8.449 2.819 1.079 1.00 0.00 C ATOM 0 H VAL A 59 -8.569 5.108 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.857 5.802 2.118 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.536 3.481 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -11.114 2.402 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.610 4.062 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.852 3.720 0.061 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.745 1.776 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.365 3.058 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.486 2.978 1.564 1.00 0.00 H new ATOM 699 N ALA A 60 -6.744 5.632 1.324 1.00 0.00 N ATOM 700 CA ALA A 60 -5.400 5.941 1.772 1.00 0.00 C ATOM 701 C ALA A 60 -4.498 6.333 0.618 1.00 0.00 C ATOM 702 O ALA A 60 -4.501 5.709 -0.438 1.00 0.00 O ATOM 703 CB ALA A 60 -4.797 4.761 2.505 1.00 0.00 C ATOM 0 H ALA A 60 -6.850 5.583 0.311 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.477 6.791 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.789 5.013 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.411 4.519 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.757 3.900 1.838 1.00 0.00 H new ATOM 709 N ILE A 61 -3.738 7.379 0.830 1.00 0.00 N ATOM 710 CA ILE A 61 -2.648 7.717 -0.062 1.00 0.00 C ATOM 711 C ILE A 61 -1.369 7.523 0.719 1.00 0.00 C ATOM 712 O ILE A 61 -1.112 8.243 1.687 1.00 0.00 O ATOM 713 CB ILE A 61 -2.709 9.163 -0.613 1.00 0.00 C ATOM 714 CG1 ILE A 61 -4.019 9.418 -1.367 1.00 0.00 C ATOM 715 CG2 ILE A 61 -1.523 9.411 -1.532 1.00 0.00 C ATOM 716 CD1 ILE A 61 -5.187 9.736 -0.466 1.00 0.00 C ATOM 0 H ILE A 61 -3.853 8.017 1.617 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.709 7.072 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.669 9.852 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.872 10.245 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.261 8.539 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.569 10.429 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.596 9.276 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.553 8.706 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.078 9.904 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.361 8.901 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.967 10.633 0.112 1.00 0.00 H new ATOM 728 N CYS A 62 -0.589 6.539 0.336 1.00 0.00 N ATOM 729 CA CYS A 62 0.487 6.091 1.193 1.00 0.00 C ATOM 730 C CYS A 62 1.847 6.217 0.527 1.00 0.00 C ATOM 731 O CYS A 62 1.984 6.066 -0.688 1.00 0.00 O ATOM 732 CB CYS A 62 0.236 4.647 1.627 1.00 0.00 C ATOM 733 SG CYS A 62 1.225 4.138 3.058 1.00 0.00 S ATOM 0 H CYS A 62 -0.675 6.039 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 62 0.502 6.739 2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.821 4.526 1.865 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.453 3.982 0.791 1.00 0.00 H new ATOM 738 N LYS A 63 2.844 6.515 1.345 1.00 0.00 N ATOM 739 CA LYS A 63 4.226 6.559 0.911 1.00 0.00 C ATOM 740 C LYS A 63 5.007 5.548 1.718 1.00 0.00 C ATOM 741 O LYS A 63 4.542 5.059 2.745 1.00 0.00 O ATOM 742 CB LYS A 63 4.854 7.938 1.139 1.00 0.00 C ATOM 743 CG LYS A 63 3.998 9.092 0.676 1.00 0.00 C ATOM 744 CD LYS A 63 4.249 9.459 -0.776 1.00 0.00 C ATOM 745 CE LYS A 63 3.762 10.871 -1.090 1.00 0.00 C ATOM 746 NZ LYS A 63 2.295 11.038 -0.885 1.00 0.00 N ATOM 0 H LYS A 63 2.714 6.734 2.333 1.00 0.00 H new ATOM 0 HA LYS A 63 4.255 6.341 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.063 8.059 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.811 7.979 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.947 8.835 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.194 9.960 1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.315 9.385 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.742 8.746 -1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.295 11.582 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.009 11.114 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.987 11.940 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.789 10.254 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.084 11.036 0.133 1.00 0.00 H new ATOM 760 N ASN A 64 6.183 5.240 1.248 1.00 0.00 N ATOM 761 CA ASN A 64 7.072 4.349 1.980 1.00 0.00 C ATOM 762 C ASN A 64 8.004 5.183 2.844 1.00 0.00 C ATOM 763 O ASN A 64 8.499 6.212 2.385 1.00 0.00 O ATOM 764 CB ASN A 64 7.872 3.453 1.026 1.00 0.00 C ATOM 765 CG ASN A 64 8.785 2.488 1.761 1.00 0.00 C ATOM 766 OD1 ASN A 64 8.374 1.400 2.158 1.00 0.00 O ATOM 767 ND2 ASN A 64 10.037 2.870 1.924 1.00 0.00 N ATOM 0 H ASN A 64 6.558 5.586 0.365 1.00 0.00 H new ATOM 0 HA ASN A 64 6.475 3.693 2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.182 2.889 0.399 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.469 4.078 0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.701 2.254 2.393 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.341 3.781 1.581 1.00 0.00 H new ATOM 774 N ALA A 65 8.211 4.742 4.089 1.00 0.00 N ATOM 775 CA ALA A 65 9.004 5.479 5.084 1.00 0.00 C ATOM 776 C ALA A 65 10.245 6.132 4.481 1.00 0.00 C ATOM 777 O ALA A 65 10.448 7.341 4.605 1.00 0.00 O ATOM 778 CB ALA A 65 9.411 4.546 6.212 1.00 0.00 C ATOM 0 H ALA A 65 7.833 3.861 4.438 1.00 0.00 H new ATOM 0 HA ALA A 65 8.373 6.280 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.998 5.097 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.519 4.142 6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.009 3.728 5.810 1.00 0.00 H new ATOM 784 N SER A 66 11.064 5.323 3.832 1.00 0.00 N ATOM 785 CA SER A 66 12.268 5.808 3.187 1.00 0.00 C ATOM 786 C SER A 66 12.048 5.896 1.680 1.00 0.00 C ATOM 787 O SER A 66 11.364 5.055 1.096 1.00 0.00 O ATOM 788 CB SER A 66 13.440 4.869 3.508 1.00 0.00 C ATOM 789 OG SER A 66 14.627 5.257 2.834 1.00 0.00 O ATOM 0 H SER A 66 10.913 4.319 3.738 1.00 0.00 H new ATOM 0 HA SER A 66 12.505 6.804 3.561 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.618 4.864 4.583 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.177 3.850 3.224 1.00 0.00 H new ATOM 0 HG SER A 66 15.384 4.742 3.182 1.00 0.00 H new ATOM 795 N PRO A 67 12.591 6.938 1.036 1.00 0.00 N ATOM 796 CA PRO A 67 12.563 7.065 -0.417 1.00 0.00 C ATOM 797 C PRO A 67 13.652 6.226 -1.076 1.00 0.00 C ATOM 798 O PRO A 67 13.671 6.053 -2.290 1.00 0.00 O ATOM 799 CB PRO A 67 12.821 8.552 -0.638 1.00 0.00 C ATOM 800 CG PRO A 67 13.667 8.962 0.518 1.00 0.00 C ATOM 801 CD PRO A 67 13.256 8.091 1.678 1.00 0.00 C ATOM 0 HA PRO A 67 11.627 6.715 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.331 8.730 -1.585 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.889 9.116 -0.667 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.725 8.831 0.290 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.519 10.016 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.117 7.778 2.268 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.581 8.617 2.353 1.00 0.00 H new ATOM 809 N VAL A 68 14.560 5.711 -0.255 1.00 0.00 N ATOM 810 CA VAL A 68 15.662 4.898 -0.742 1.00 0.00 C ATOM 811 C VAL A 68 15.365 3.417 -0.535 1.00 0.00 C ATOM 812 O VAL A 68 15.315 2.643 -1.488 1.00 0.00 O ATOM 813 CB VAL A 68 16.986 5.246 -0.035 1.00 0.00 C ATOM 814 CG1 VAL A 68 18.141 4.561 -0.738 1.00 0.00 C ATOM 815 CG2 VAL A 68 17.198 6.752 0.015 1.00 0.00 C ATOM 0 H VAL A 68 14.552 5.845 0.756 1.00 0.00 H new ATOM 0 HA VAL A 68 15.769 5.111 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 68 16.937 4.886 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A 68 19.074 4.811 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.993 3.481 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.187 4.897 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.139 6.970 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.229 7.149 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.378 7.217 0.562 1.00 0.00 H new ATOM 825 N HIS A 69 15.157 3.029 0.716 1.00 0.00 N ATOM 826 CA HIS A 69 14.875 1.637 1.042 1.00 0.00 C ATOM 827 C HIS A 69 13.403 1.457 1.366 1.00 0.00 C ATOM 828 O HIS A 69 12.691 2.420 1.635 1.00 0.00 O ATOM 829 CB HIS A 69 15.697 1.155 2.241 1.00 0.00 C ATOM 830 CG HIS A 69 17.171 1.067 1.999 1.00 0.00 C ATOM 831 ND1 HIS A 69 17.843 -0.132 1.944 1.00 0.00 N ATOM 832 CD2 HIS A 69 18.109 2.028 1.827 1.00 0.00 C ATOM 833 CE1 HIS A 69 19.128 0.092 1.750 1.00 0.00 C ATOM 834 NE2 HIS A 69 19.316 1.395 1.674 1.00 0.00 N ATOM 0 H HIS A 69 15.178 3.656 1.520 1.00 0.00 H new ATOM 0 HA HIS A 69 15.146 1.046 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.521 1.830 3.079 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.333 0.172 2.541 1.00 0.00 H new ATOM 0 HD2 HIS A 69 17.939 3.094 1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 69 19.896 -0.663 1.667 1.00 0.00 H new ATOM 0 HE2 HIS A 69 20.213 1.857 1.526 1.00 0.00 H new ATOM 843 N CYS A 70 12.965 0.216 1.365 1.00 0.00 N ATOM 844 CA CYS A 70 11.579 -0.118 1.648 1.00 0.00 C ATOM 845 C CYS A 70 11.436 -0.610 3.084 1.00 0.00 C ATOM 846 O CYS A 70 12.079 -1.583 3.473 1.00 0.00 O ATOM 847 CB CYS A 70 11.102 -1.187 0.670 1.00 0.00 C ATOM 848 SG CYS A 70 12.250 -2.573 0.500 1.00 0.00 S ATOM 0 H CYS A 70 13.556 -0.591 1.169 1.00 0.00 H new ATOM 0 HA CYS A 70 10.964 0.774 1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.135 -1.565 1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.948 -0.731 -0.308 1.00 0.00 H new ATOM 0 HG CYS A 70 12.761 -2.858 1.661 1.00 0.00 H new ATOM 854 N ASN A 71 10.600 0.057 3.869 1.00 0.00 N ATOM 855 CA ASN A 71 10.450 -0.301 5.276 1.00 0.00 C ATOM 856 C ASN A 71 8.986 -0.533 5.619 1.00 0.00 C ATOM 857 O ASN A 71 8.473 -1.647 5.500 1.00 0.00 O ATOM 858 CB ASN A 71 11.017 0.787 6.200 1.00 0.00 C ATOM 859 CG ASN A 71 12.498 1.047 6.009 1.00 0.00 C ATOM 860 OD1 ASN A 71 13.253 0.174 5.581 1.00 0.00 O ATOM 861 ND2 ASN A 71 12.927 2.251 6.353 1.00 0.00 N ATOM 0 H ASN A 71 10.022 0.839 3.562 1.00 0.00 H new ATOM 0 HA ASN A 71 11.013 -1.221 5.433 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.471 1.715 6.030 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.840 0.498 7.236 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.916 2.484 6.268 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.268 2.946 6.703 1.00 0.00 H new ATOM 868 N TYR A 72 8.320 0.535 6.031 1.00 0.00 N ATOM 869 CA TYR A 72 6.920 0.477 6.404 1.00 0.00 C ATOM 870 C TYR A 72 6.166 1.600 5.714 1.00 0.00 C ATOM 871 O TYR A 72 6.771 2.436 5.034 1.00 0.00 O ATOM 872 CB TYR A 72 6.766 0.586 7.921 1.00 0.00 C ATOM 873 CG TYR A 72 7.421 -0.550 8.672 1.00 0.00 C ATOM 874 CD1 TYR A 72 6.832 -1.806 8.712 1.00 0.00 C ATOM 875 CD2 TYR A 72 8.635 -0.371 9.325 1.00 0.00 C ATOM 876 CE1 TYR A 72 7.428 -2.852 9.385 1.00 0.00 C ATOM 877 CE2 TYR A 72 9.241 -1.415 9.999 1.00 0.00 C ATOM 878 CZ TYR A 72 8.631 -2.654 10.026 1.00 0.00 C ATOM 879 OH TYR A 72 9.228 -3.702 10.689 1.00 0.00 O ATOM 0 H TYR A 72 8.736 1.463 6.115 1.00 0.00 H new ATOM 0 HA TYR A 72 6.506 -0.480 6.088 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.197 1.530 8.256 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.705 0.613 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.891 -1.967 8.207 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.112 0.598 9.306 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.954 -3.822 9.409 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.185 -1.263 10.501 1.00 0.00 H new ATOM 0 HH TYR A 72 10.071 -3.400 11.087 1.00 0.00 H new ATOM 889 N LEU A 73 4.861 1.632 5.903 1.00 0.00 N ATOM 890 CA LEU A 73 4.015 2.531 5.140 1.00 0.00 C ATOM 891 C LEU A 73 3.525 3.716 5.960 1.00 0.00 C ATOM 892 O LEU A 73 2.976 3.556 7.053 1.00 0.00 O ATOM 893 CB LEU A 73 2.824 1.770 4.567 1.00 0.00 C ATOM 894 CG LEU A 73 3.175 0.699 3.535 1.00 0.00 C ATOM 895 CD1 LEU A 73 1.924 0.220 2.820 1.00 0.00 C ATOM 896 CD2 LEU A 73 4.202 1.225 2.540 1.00 0.00 C ATOM 0 H LEU A 73 4.364 1.048 6.576 1.00 0.00 H new ATOM 0 HA LEU A 73 4.626 2.930 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.285 1.298 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.142 2.486 4.108 1.00 0.00 H new ATOM 0 HG LEU A 73 3.616 -0.150 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.192 -0.542 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.229 -0.202 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.451 1.060 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.438 0.446 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.795 2.093 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.109 1.512 3.071 1.00 0.00 H new ATOM 908 N LYS A 74 3.733 4.904 5.406 1.00 0.00 N ATOM 909 CA LYS A 74 3.215 6.140 5.976 1.00 0.00 C ATOM 910 C LYS A 74 2.102 6.663 5.081 1.00 0.00 C ATOM 911 O LYS A 74 2.361 7.201 4.004 1.00 0.00 O ATOM 912 CB LYS A 74 4.326 7.192 6.103 1.00 0.00 C ATOM 913 CG LYS A 74 5.044 7.189 7.445 1.00 0.00 C ATOM 914 CD LYS A 74 5.738 5.869 7.732 1.00 0.00 C ATOM 915 CE LYS A 74 6.434 5.894 9.083 1.00 0.00 C ATOM 916 NZ LYS A 74 5.492 6.181 10.200 1.00 0.00 N ATOM 0 H LYS A 74 4.267 5.037 4.547 1.00 0.00 H new ATOM 0 HA LYS A 74 2.828 5.939 6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.058 7.027 5.313 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.895 8.179 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.780 7.993 7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.326 7.398 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.008 5.060 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.467 5.661 6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.918 4.933 9.257 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.220 6.649 9.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.944 5.941 11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.243 7.191 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.630 5.612 10.082 1.00 0.00 H new ATOM 930 N CYS A 75 0.867 6.512 5.524 1.00 0.00 N ATOM 931 CA CYS A 75 -0.278 6.796 4.676 1.00 0.00 C ATOM 932 C CYS A 75 -1.146 7.891 5.281 1.00 0.00 C ATOM 933 O CYS A 75 -1.168 8.074 6.497 1.00 0.00 O ATOM 934 CB CYS A 75 -1.106 5.523 4.498 1.00 0.00 C ATOM 935 SG CYS A 75 -0.130 3.979 4.562 1.00 0.00 S ATOM 0 H CYS A 75 0.631 6.195 6.464 1.00 0.00 H new ATOM 0 HA CYS A 75 0.084 7.142 3.708 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -1.870 5.489 5.274 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.625 5.572 3.541 1.00 0.00 H new ATOM 940 N THR A 76 -1.851 8.621 4.429 1.00 0.00 N ATOM 941 CA THR A 76 -2.767 9.646 4.887 1.00 0.00 C ATOM 942 C THR A 76 -4.159 9.381 4.316 1.00 0.00 C ATOM 943 O THR A 76 -4.327 8.475 3.493 1.00 0.00 O ATOM 944 CB THR A 76 -2.277 11.058 4.483 1.00 0.00 C ATOM 945 OG1 THR A 76 -2.869 12.045 5.336 1.00 0.00 O ATOM 946 CG2 THR A 76 -2.630 11.370 3.036 1.00 0.00 C ATOM 0 H THR A 76 -1.803 8.519 3.415 1.00 0.00 H new ATOM 0 HA THR A 76 -2.810 9.610 5.976 1.00 0.00 H new ATOM 0 HB THR A 76 -1.192 11.078 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.553 12.935 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.273 12.368 2.781 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.158 10.638 2.380 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.712 11.328 2.908 1.00 0.00 H new ATOM 954 N ASN A 77 -5.136 10.174 4.749 1.00 0.00 N ATOM 955 CA ASN A 77 -6.534 10.020 4.325 1.00 0.00 C ATOM 956 C ASN A 77 -7.088 8.648 4.702 1.00 0.00 C ATOM 957 O ASN A 77 -7.916 8.095 3.977 1.00 0.00 O ATOM 958 CB ASN A 77 -6.684 10.226 2.810 1.00 0.00 C ATOM 959 CG ASN A 77 -6.584 11.677 2.372 1.00 0.00 C ATOM 960 OD1 ASN A 77 -5.910 12.495 3.003 1.00 0.00 O ATOM 961 ND2 ASN A 77 -7.257 12.007 1.278 1.00 0.00 N ATOM 0 H ASN A 77 -4.986 10.942 5.403 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.105 10.787 4.849 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.915 9.648 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.647 9.827 2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.228 12.966 0.931 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.803 11.302 0.783 1.00 0.00 H new ATOM 968 N LEU A 78 -6.652 8.114 5.841 1.00 0.00 N ATOM 969 CA LEU A 78 -7.058 6.776 6.266 1.00 0.00 C ATOM 970 C LEU A 78 -8.551 6.736 6.576 1.00 0.00 C ATOM 971 O LEU A 78 -9.069 7.592 7.294 1.00 0.00 O ATOM 972 CB LEU A 78 -6.249 6.333 7.486 1.00 0.00 C ATOM 973 CG LEU A 78 -4.744 6.188 7.250 1.00 0.00 C ATOM 974 CD1 LEU A 78 -4.043 5.779 8.535 1.00 0.00 C ATOM 975 CD2 LEU A 78 -4.471 5.174 6.149 1.00 0.00 C ATOM 0 H LEU A 78 -6.018 8.587 6.486 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.860 6.084 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.407 7.053 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.640 5.377 7.834 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.350 7.154 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.973 5.680 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.211 6.539 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.442 4.825 8.879 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.396 5.084 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.878 4.205 6.438 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.943 5.505 5.224 1.00 0.00 H new ATOM 987 N ALA A 79 -9.237 5.746 6.025 1.00 0.00 N ATOM 988 CA ALA A 79 -10.684 5.658 6.159 1.00 0.00 C ATOM 989 C ALA A 79 -11.091 4.645 7.227 1.00 0.00 C ATOM 990 O ALA A 79 -11.653 3.595 6.916 1.00 0.00 O ATOM 991 CB ALA A 79 -11.318 5.312 4.816 1.00 0.00 C ATOM 0 H ALA A 79 -8.816 4.993 5.481 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.050 6.633 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.400 5.249 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.074 6.086 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.934 4.353 4.468 1.00 0.00 H new ATOM 997 N ALA A 80 -10.792 4.977 8.481 1.00 0.00 N ATOM 998 CA ALA A 80 -11.190 4.180 9.648 1.00 0.00 C ATOM 999 C ALA A 80 -10.687 2.735 9.580 1.00 0.00 C ATOM 1000 O ALA A 80 -9.583 2.433 10.039 1.00 0.00 O ATOM 1001 CB ALA A 80 -12.702 4.220 9.836 1.00 0.00 C ATOM 0 H ALA A 80 -10.262 5.814 8.722 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.714 4.634 10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.976 3.623 10.706 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -13.023 5.251 9.987 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.190 3.815 8.949 1.00 0.00 H new ATOM 1007 N GLY A 81 -11.496 1.847 9.006 1.00 0.00 N ATOM 1008 CA GLY A 81 -11.111 0.455 8.888 1.00 0.00 C ATOM 1009 C GLY A 81 -10.115 0.236 7.770 1.00 0.00 C ATOM 1010 O GLY A 81 -9.482 -0.817 7.684 1.00 0.00 O ATOM 0 H GLY A 81 -12.413 2.070 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.679 0.117 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.998 -0.153 8.708 1.00 0.00 H new ATOM 1014 N PHE A 82 -9.977 1.238 6.915 1.00 0.00 N ATOM 1015 CA PHE A 82 -9.041 1.174 5.807 1.00 0.00 C ATOM 1016 C PHE A 82 -7.732 1.868 6.165 1.00 0.00 C ATOM 1017 O PHE A 82 -7.686 3.088 6.334 1.00 0.00 O ATOM 1018 CB PHE A 82 -9.640 1.825 4.562 1.00 0.00 C ATOM 1019 CG PHE A 82 -10.874 1.143 4.042 1.00 0.00 C ATOM 1020 CD1 PHE A 82 -10.778 0.112 3.120 1.00 0.00 C ATOM 1021 CD2 PHE A 82 -12.129 1.543 4.468 1.00 0.00 C ATOM 1022 CE1 PHE A 82 -11.914 -0.508 2.635 1.00 0.00 C ATOM 1023 CE2 PHE A 82 -13.267 0.928 3.987 1.00 0.00 C ATOM 1024 CZ PHE A 82 -13.161 -0.099 3.069 1.00 0.00 C ATOM 0 H PHE A 82 -10.505 2.109 6.969 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.839 0.123 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.881 2.863 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.887 1.838 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.806 -0.210 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.219 2.346 5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.828 -1.311 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.240 1.249 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 82 -14.051 -0.581 2.691 1.00 0.00 H new ATOM 1034 N SER A 83 -6.679 1.082 6.300 1.00 0.00 N ATOM 1035 CA SER A 83 -5.345 1.602 6.552 1.00 0.00 C ATOM 1036 C SER A 83 -4.331 0.669 5.908 1.00 0.00 C ATOM 1037 O SER A 83 -4.682 -0.421 5.483 1.00 0.00 O ATOM 1038 CB SER A 83 -5.083 1.717 8.057 1.00 0.00 C ATOM 1039 OG SER A 83 -6.051 2.546 8.682 1.00 0.00 O ATOM 0 H SER A 83 -6.723 0.065 6.238 1.00 0.00 H new ATOM 0 HA SER A 83 -5.256 2.600 6.123 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.102 0.726 8.509 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.087 2.125 8.226 1.00 0.00 H new ATOM 0 HG SER A 83 -5.863 2.602 9.642 1.00 0.00 H new ATOM 1045 N ALA A 84 -3.085 1.080 5.823 1.00 0.00 N ATOM 1046 CA ALA A 84 -2.087 0.266 5.153 1.00 0.00 C ATOM 1047 C ALA A 84 -1.069 -0.267 6.145 1.00 0.00 C ATOM 1048 O ALA A 84 -0.827 0.336 7.195 1.00 0.00 O ATOM 1049 CB ALA A 84 -1.405 1.056 4.054 1.00 0.00 C ATOM 0 H ALA A 84 -2.739 1.961 6.203 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.592 -0.586 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.660 0.429 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.147 1.378 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -0.917 1.930 4.484 1.00 0.00 H new ATOM 1055 N GLY A 85 -0.460 -1.385 5.788 1.00 0.00 N ATOM 1056 CA GLY A 85 0.392 -2.100 6.713 1.00 0.00 C ATOM 1057 C GLY A 85 1.866 -1.952 6.392 1.00 0.00 C ATOM 1058 O GLY A 85 2.565 -1.156 7.013 1.00 0.00 O ATOM 0 H GLY A 85 -0.541 -1.814 4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.207 -1.737 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.127 -3.157 6.700 1.00 0.00 H new ATOM 1062 N THR A 86 2.336 -2.709 5.414 1.00 0.00 N ATOM 1063 CA THR A 86 3.748 -2.716 5.062 1.00 0.00 C ATOM 1064 C THR A 86 3.926 -3.284 3.655 1.00 0.00 C ATOM 1065 O THR A 86 2.943 -3.552 2.961 1.00 0.00 O ATOM 1066 CB THR A 86 4.567 -3.548 6.085 1.00 0.00 C ATOM 1067 OG1 THR A 86 5.971 -3.430 5.820 1.00 0.00 O ATOM 1068 CG2 THR A 86 4.160 -5.017 6.051 1.00 0.00 C ATOM 0 H THR A 86 1.758 -3.329 4.847 1.00 0.00 H new ATOM 0 HA THR A 86 4.118 -1.691 5.085 1.00 0.00 H new ATOM 0 HB THR A 86 4.355 -3.152 7.078 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.405 -2.956 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.750 -5.575 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.102 -5.107 6.297 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.336 -5.420 5.054 1.00 0.00 H new ATOM 1076 N SER A 87 5.168 -3.450 3.235 1.00 0.00 N ATOM 1077 CA SER A 87 5.466 -4.005 1.930 1.00 0.00 C ATOM 1078 C SER A 87 6.203 -5.333 2.085 1.00 0.00 C ATOM 1079 O SER A 87 7.011 -5.495 3.002 1.00 0.00 O ATOM 1080 CB SER A 87 6.303 -3.013 1.123 1.00 0.00 C ATOM 1081 OG SER A 87 5.650 -1.754 1.027 1.00 0.00 O ATOM 0 H SER A 87 5.991 -3.205 3.785 1.00 0.00 H new ATOM 0 HA SER A 87 4.534 -4.188 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.277 -2.886 1.595 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.482 -3.411 0.124 1.00 0.00 H new ATOM 0 HG SER A 87 6.144 -1.176 0.409 1.00 0.00 H new ATOM 1087 N THR A 88 5.921 -6.277 1.192 1.00 0.00 N ATOM 1088 CA THR A 88 6.499 -7.615 1.268 1.00 0.00 C ATOM 1089 C THR A 88 6.883 -8.127 -0.117 1.00 0.00 C ATOM 1090 O THR A 88 7.145 -7.339 -1.029 1.00 0.00 O ATOM 1091 CB THR A 88 5.509 -8.603 1.910 1.00 0.00 C ATOM 1092 OG1 THR A 88 4.261 -8.552 1.215 1.00 0.00 O ATOM 1093 CG2 THR A 88 5.294 -8.294 3.385 1.00 0.00 C ATOM 0 H THR A 88 5.291 -6.138 0.402 1.00 0.00 H new ATOM 0 HA THR A 88 7.395 -7.546 1.885 1.00 0.00 H new ATOM 0 HB THR A 88 5.931 -9.605 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.836 -7.682 1.369 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.590 -9.010 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.245 -8.364 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.894 -7.286 3.491 1.00 0.00 H new ATOM 1101 N ASP A 89 6.942 -9.456 -0.246 1.00 0.00 N ATOM 1102 CA ASP A 89 7.196 -10.135 -1.521 1.00 0.00 C ATOM 1103 C ASP A 89 8.605 -9.864 -2.029 1.00 0.00 C ATOM 1104 O ASP A 89 9.510 -10.661 -1.805 1.00 0.00 O ATOM 1105 CB ASP A 89 6.164 -9.727 -2.577 1.00 0.00 C ATOM 1106 CG ASP A 89 6.323 -10.463 -3.893 1.00 0.00 C ATOM 1107 OD1 ASP A 89 5.754 -11.566 -4.033 1.00 0.00 O ATOM 1108 OD2 ASP A 89 6.988 -9.928 -4.800 1.00 0.00 O ATOM 0 H ASP A 89 6.814 -10.096 0.538 1.00 0.00 H new ATOM 0 HA ASP A 89 7.103 -11.206 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.163 -9.910 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.244 -8.655 -2.757 1.00 0.00 H new ATOM 1113 N VAL A 90 8.797 -8.719 -2.665 1.00 0.00 N ATOM 1114 CA VAL A 90 10.073 -8.392 -3.280 1.00 0.00 C ATOM 1115 C VAL A 90 11.176 -8.242 -2.238 1.00 0.00 C ATOM 1116 O VAL A 90 12.300 -8.707 -2.437 1.00 0.00 O ATOM 1117 CB VAL A 90 9.968 -7.111 -4.133 1.00 0.00 C ATOM 1118 CG1 VAL A 90 9.315 -7.423 -5.470 1.00 0.00 C ATOM 1119 CG2 VAL A 90 9.173 -6.046 -3.397 1.00 0.00 C ATOM 0 H VAL A 90 8.082 -7.999 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 90 10.336 -9.224 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 90 10.974 -6.731 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.246 -6.511 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.915 -8.159 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.315 -7.823 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 90 9.109 -5.149 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.169 -6.418 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 90 9.670 -5.806 -2.457 1.00 0.00 H new ATOM 1129 N LEU A 91 10.846 -7.607 -1.119 1.00 0.00 N ATOM 1130 CA LEU A 91 11.811 -7.398 -0.049 1.00 0.00 C ATOM 1131 C LEU A 91 11.822 -8.568 0.939 1.00 0.00 C ATOM 1132 O LEU A 91 12.851 -8.871 1.535 1.00 0.00 O ATOM 1133 CB LEU A 91 11.528 -6.073 0.670 1.00 0.00 C ATOM 1134 CG LEU A 91 10.168 -5.965 1.359 1.00 0.00 C ATOM 1135 CD1 LEU A 91 10.285 -6.302 2.837 1.00 0.00 C ATOM 1136 CD2 LEU A 91 9.594 -4.573 1.176 1.00 0.00 C ATOM 0 H LEU A 91 9.918 -7.229 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 91 12.803 -7.346 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 91 12.306 -5.914 1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 91 11.612 -5.263 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 91 9.491 -6.684 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.305 -6.219 3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.656 -7.321 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 91 10.977 -5.609 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.625 -4.511 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.272 -3.840 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.471 -4.367 0.113 1.00 0.00 H new ATOM 1148 N SER A 92 10.681 -9.226 1.107 1.00 0.00 N ATOM 1149 CA SER A 92 10.578 -10.337 2.045 1.00 0.00 C ATOM 1150 C SER A 92 11.000 -11.644 1.380 1.00 0.00 C ATOM 1151 O SER A 92 12.105 -12.138 1.601 1.00 0.00 O ATOM 1152 CB SER A 92 9.146 -10.453 2.564 1.00 0.00 C ATOM 1153 OG SER A 92 8.634 -9.181 2.910 1.00 0.00 O ATOM 0 H SER A 92 9.818 -9.011 0.608 1.00 0.00 H new ATOM 0 HA SER A 92 11.247 -10.144 2.883 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.514 -10.910 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.121 -11.109 3.434 1.00 0.00 H new ATOM 0 HG SER A 92 8.246 -9.218 3.809 1.00 0.00 H new