USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 975 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 77 LYS NZ :NH3+ -118:sc= 1.3 (180deg=-0.172) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.1: A 23 CYS SG : rot -176:sc= -0.794 USER MOD Set 2.2: A 97 CYS SG : rot 29:sc= 0.874 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0993) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.158 K(o=0.16,f=-2.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -38:sc= -0.395 USER MOD Single : A 26 SER OG : rot 180:sc= 0.251 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -170:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.421 K(o=0.42,f=-5.5!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0.244 X(o=0.24,f=-0.19) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 146:sc= 0.851 (180deg=0.263) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.932 K(o=-0.93,f=-3.9!) USER MOD Single : A 78 ASN : amide:sc= 0.405 K(o=0.41,f=-1.5) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.368 K(o=0.37,f=-2.7!) USER MOD Single : A 84 MET CE :methyl -132:sc= -1.28 (180deg=-2.49!) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 85:sc= 0.194 USER MOD Single : A 95 TYR OH : rot -50:sc= 0.264 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 170:sc= 0 USER MOD Single : A 109 THR OG1 : rot 88:sc= 0.452 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.178 F(o=-0.94,f=-0.18) USER MOD Single : A 117 THR OG1 : rot 140:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.853 F(o=-2.3,f=-0.85) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 139:sc= -1.93! USER MOD Single : A 123 SER OG : rot 51:sc= 0.129 USER MOD Single : A 126 HIS :FLIP no HE2:sc= -0.252 F(o=-0.98,f=-0.25) USER MOD Single : A 127 HIS : no HE2:sc= 0.34 K(o=0.34,f=-1.2) USER MOD Single : A 128 HIS : no HE2:sc= -0.295 K(o=-0.3,f=-1.8) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.076 2.024 -0.300 1.00 0.00 N ATOM 2 CA MET A 1 0.332 1.074 -1.173 1.00 0.00 C ATOM 3 C MET A 1 -0.035 1.745 -2.509 1.00 0.00 C ATOM 4 O MET A 1 0.044 1.122 -3.569 1.00 0.00 O ATOM 5 CB MET A 1 -0.936 0.544 -0.445 1.00 0.00 C ATOM 6 CG MET A 1 -1.764 -0.482 -1.236 1.00 0.00 C ATOM 7 SD MET A 1 -3.208 -1.067 -0.313 1.00 0.00 S ATOM 8 CE MET A 1 -3.964 -2.188 -1.497 1.00 0.00 C ATOM 0 H1 MET A 1 1.462 1.513 0.519 1.00 0.00 H new ATOM 0 H2 MET A 1 1.855 2.453 -0.839 1.00 0.00 H new ATOM 0 H3 MET A 1 0.431 2.770 0.030 1.00 0.00 H new ATOM 0 HA MET A 1 0.976 0.222 -1.390 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.631 0.091 0.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.576 1.392 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.093 -0.033 -2.173 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.133 -1.332 -1.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.865 -2.622 -1.063 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.225 -1.639 -2.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.261 -2.983 -1.745 1.00 0.00 H new ATOM 20 N GLN A 2 -0.427 3.030 -2.437 1.00 0.00 N ATOM 21 CA GLN A 2 -0.784 3.843 -3.621 1.00 0.00 C ATOM 22 C GLN A 2 0.461 4.120 -4.491 1.00 0.00 C ATOM 23 O GLN A 2 1.555 4.347 -3.955 1.00 0.00 O ATOM 24 CB GLN A 2 -1.418 5.188 -3.165 1.00 0.00 C ATOM 25 CG GLN A 2 -2.752 5.053 -2.409 1.00 0.00 C ATOM 26 CD GLN A 2 -3.326 6.408 -1.967 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.058 6.884 -0.865 1.00 0.00 O ATOM 28 NE2 GLN A 2 -4.101 7.045 -2.839 1.00 0.00 N ATOM 0 H GLN A 2 -0.506 3.538 -1.556 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.505 3.285 -4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.706 5.710 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.577 5.814 -4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -3.477 4.548 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -2.605 4.422 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.304 6.622 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.493 7.957 -2.602 1.00 0.00 H new ATOM 37 N LEU A 3 0.291 4.099 -5.826 1.00 0.00 N ATOM 38 CA LEU A 3 1.380 4.422 -6.762 1.00 0.00 C ATOM 39 C LEU A 3 1.634 5.937 -6.758 1.00 0.00 C ATOM 40 O LEU A 3 0.786 6.718 -7.210 1.00 0.00 O ATOM 41 CB LEU A 3 1.057 3.901 -8.204 1.00 0.00 C ATOM 42 CG LEU A 3 1.681 2.531 -8.597 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.217 2.630 -8.630 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.188 1.396 -7.673 1.00 0.00 C ATOM 0 H LEU A 3 -0.591 3.861 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 3 2.288 3.917 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.026 3.826 -8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.394 4.649 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 3 1.345 2.277 -9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.638 1.663 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.518 3.380 -9.362 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.584 2.917 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.645 0.454 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.467 1.618 -6.643 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.104 1.313 -7.745 1.00 0.00 H new ATOM 56 N GLN A 4 2.796 6.337 -6.221 1.00 0.00 N ATOM 57 CA GLN A 4 3.230 7.732 -6.217 1.00 0.00 C ATOM 58 C GLN A 4 4.011 8.000 -7.507 1.00 0.00 C ATOM 59 O GLN A 4 5.063 7.394 -7.744 1.00 0.00 O ATOM 60 CB GLN A 4 4.112 8.040 -4.982 1.00 0.00 C ATOM 61 CG GLN A 4 3.501 7.628 -3.632 1.00 0.00 C ATOM 62 CD GLN A 4 4.423 7.960 -2.463 1.00 0.00 C ATOM 63 OE1 GLN A 4 4.330 9.028 -1.869 1.00 0.00 O ATOM 64 NE2 GLN A 4 5.355 7.072 -2.165 1.00 0.00 N ATOM 0 H GLN A 4 3.457 5.699 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 4 2.356 8.381 -6.164 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.069 7.532 -5.101 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.319 9.110 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.546 8.136 -3.496 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.295 6.558 -3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 4 5.404 6.193 -2.679 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.025 7.266 -1.421 1.00 0.00 H new ATOM 73 N LEU A 5 3.451 8.862 -8.355 1.00 0.00 N ATOM 74 CA LEU A 5 4.073 9.298 -9.606 1.00 0.00 C ATOM 75 C LEU A 5 4.430 10.781 -9.458 1.00 0.00 C ATOM 76 O LEU A 5 3.565 11.594 -9.114 1.00 0.00 O ATOM 77 CB LEU A 5 3.091 9.056 -10.787 1.00 0.00 C ATOM 78 CG LEU A 5 2.560 7.586 -10.934 1.00 0.00 C ATOM 79 CD1 LEU A 5 1.424 7.503 -11.968 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.708 6.595 -11.268 1.00 0.00 C ATOM 0 H LEU A 5 2.537 9.284 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 5 4.980 8.732 -9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.237 9.722 -10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.589 9.338 -11.715 1.00 0.00 H new ATOM 0 HG LEU A 5 2.148 7.289 -9.970 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.078 6.472 -12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.598 8.140 -11.653 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.790 7.838 -12.939 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.303 5.587 -11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.178 6.886 -12.207 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.449 6.615 -10.469 1.00 0.00 H new ATOM 92 N VAL A 6 5.720 11.120 -9.630 1.00 0.00 N ATOM 93 CA VAL A 6 6.195 12.511 -9.562 1.00 0.00 C ATOM 94 C VAL A 6 6.607 12.975 -10.968 1.00 0.00 C ATOM 95 O VAL A 6 7.709 12.663 -11.442 1.00 0.00 O ATOM 96 CB VAL A 6 7.403 12.661 -8.554 1.00 0.00 C ATOM 97 CG1 VAL A 6 7.912 14.130 -8.489 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.021 12.123 -7.143 1.00 0.00 C ATOM 0 H VAL A 6 6.458 10.441 -9.819 1.00 0.00 H new ATOM 0 HA VAL A 6 5.384 13.138 -9.192 1.00 0.00 H new ATOM 0 HB VAL A 6 8.227 12.053 -8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.743 14.196 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.247 14.443 -9.478 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.103 14.781 -8.157 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.869 12.238 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.171 12.686 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.755 11.068 -7.215 1.00 0.00 H new ATOM 108 N GLU A 7 5.714 13.743 -11.612 1.00 0.00 N ATOM 109 CA GLU A 7 5.930 14.275 -12.960 1.00 0.00 C ATOM 110 C GLU A 7 6.676 15.606 -12.852 1.00 0.00 C ATOM 111 O GLU A 7 6.187 16.551 -12.224 1.00 0.00 O ATOM 112 CB GLU A 7 4.591 14.437 -13.743 1.00 0.00 C ATOM 113 CG GLU A 7 3.745 13.141 -13.867 1.00 0.00 C ATOM 114 CD GLU A 7 2.680 12.969 -12.761 1.00 0.00 C ATOM 115 OE1 GLU A 7 3.022 12.976 -11.575 1.00 0.00 O ATOM 116 OE2 GLU A 7 1.487 12.836 -13.082 1.00 0.00 O ATOM 0 H GLU A 7 4.817 14.012 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 7 6.532 13.565 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.989 15.201 -13.250 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.815 14.805 -14.744 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.248 13.137 -14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.414 12.281 -13.848 1.00 0.00 H new ATOM 123 N SER A 8 7.869 15.654 -13.439 1.00 0.00 N ATOM 124 CA SER A 8 8.786 16.787 -13.343 1.00 0.00 C ATOM 125 C SER A 8 9.244 17.189 -14.758 1.00 0.00 C ATOM 126 O SER A 8 9.583 16.323 -15.575 1.00 0.00 O ATOM 127 CB SER A 8 9.986 16.371 -12.456 1.00 0.00 C ATOM 128 OG SER A 8 9.551 15.813 -11.217 1.00 0.00 O ATOM 0 H SER A 8 8.233 14.889 -14.007 1.00 0.00 H new ATOM 0 HA SER A 8 8.297 17.649 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.599 15.644 -12.989 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.616 17.239 -12.264 1.00 0.00 H new ATOM 0 HG SER A 8 10.331 15.559 -10.681 1.00 0.00 H new ATOM 134 N GLY A 9 9.242 18.503 -15.036 1.00 0.00 N ATOM 135 CA GLY A 9 9.619 19.044 -16.350 1.00 0.00 C ATOM 136 C GLY A 9 8.744 20.216 -16.788 1.00 0.00 C ATOM 137 O GLY A 9 8.830 20.652 -17.938 1.00 0.00 O ATOM 0 H GLY A 9 8.980 19.218 -14.357 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.660 19.367 -16.318 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.554 18.251 -17.095 1.00 0.00 H new ATOM 141 N GLY A 10 7.896 20.720 -15.871 1.00 0.00 N ATOM 142 CA GLY A 10 7.017 21.855 -16.154 1.00 0.00 C ATOM 143 C GLY A 10 7.768 23.179 -16.223 1.00 0.00 C ATOM 144 O GLY A 10 7.940 23.861 -15.201 1.00 0.00 O ATOM 0 H GLY A 10 7.806 20.351 -14.924 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.503 21.684 -17.100 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.250 21.917 -15.382 1.00 0.00 H new ATOM 148 N GLY A 11 8.234 23.532 -17.436 1.00 0.00 N ATOM 149 CA GLY A 11 8.938 24.796 -17.679 1.00 0.00 C ATOM 150 C GLY A 11 8.542 25.430 -18.999 1.00 0.00 C ATOM 151 O GLY A 11 7.807 24.828 -19.802 1.00 0.00 O ATOM 0 H GLY A 11 8.132 22.950 -18.267 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.725 25.490 -16.866 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.013 24.618 -17.672 1.00 0.00 H new ATOM 155 N LEU A 12 9.031 26.658 -19.216 1.00 0.00 N ATOM 156 CA LEU A 12 8.769 27.428 -20.434 1.00 0.00 C ATOM 157 C LEU A 12 9.886 27.152 -21.455 1.00 0.00 C ATOM 158 O LEU A 12 11.070 27.329 -21.142 1.00 0.00 O ATOM 159 CB LEU A 12 8.723 28.942 -20.109 1.00 0.00 C ATOM 160 CG LEU A 12 8.155 29.878 -21.222 1.00 0.00 C ATOM 161 CD1 LEU A 12 6.626 29.753 -21.321 1.00 0.00 C ATOM 162 CD2 LEU A 12 8.593 31.354 -21.022 1.00 0.00 C ATOM 0 H LEU A 12 9.624 27.147 -18.545 1.00 0.00 H new ATOM 0 HA LEU A 12 7.807 27.129 -20.849 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.123 29.079 -19.209 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.735 29.270 -19.871 1.00 0.00 H new ATOM 0 HG LEU A 12 8.580 29.549 -22.170 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.257 30.416 -22.104 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.360 28.724 -21.561 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.176 30.031 -20.368 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.175 31.969 -21.819 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.231 31.714 -20.059 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.681 31.417 -21.048 1.00 0.00 H new ATOM 174 N VAL A 13 9.510 26.696 -22.652 1.00 0.00 N ATOM 175 CA VAL A 13 10.432 26.558 -23.802 1.00 0.00 C ATOM 176 C VAL A 13 9.834 27.293 -25.008 1.00 0.00 C ATOM 177 O VAL A 13 8.621 27.427 -25.099 1.00 0.00 O ATOM 178 CB VAL A 13 10.739 25.046 -24.159 1.00 0.00 C ATOM 179 CG1 VAL A 13 11.544 24.355 -23.025 1.00 0.00 C ATOM 180 CG2 VAL A 13 9.441 24.263 -24.474 1.00 0.00 C ATOM 0 H VAL A 13 8.554 26.408 -22.861 1.00 0.00 H new ATOM 0 HA VAL A 13 11.388 27.004 -23.528 1.00 0.00 H new ATOM 0 HB VAL A 13 11.354 25.041 -25.059 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.740 23.318 -23.298 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.490 24.877 -22.880 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.968 24.384 -22.100 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.689 23.229 -24.715 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.783 24.285 -23.606 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.936 24.722 -25.324 1.00 0.00 H new ATOM 190 N GLN A 14 10.691 27.794 -25.906 1.00 0.00 N ATOM 191 CA GLN A 14 10.245 28.520 -27.111 1.00 0.00 C ATOM 192 C GLN A 14 9.750 27.527 -28.191 1.00 0.00 C ATOM 193 O GLN A 14 10.160 26.349 -28.204 1.00 0.00 O ATOM 194 CB GLN A 14 11.375 29.447 -27.684 1.00 0.00 C ATOM 195 CG GLN A 14 12.556 28.739 -28.409 1.00 0.00 C ATOM 196 CD GLN A 14 13.424 27.827 -27.527 1.00 0.00 C ATOM 197 OE1 GLN A 14 13.588 28.055 -26.327 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.995 26.790 -28.120 1.00 0.00 N ATOM 0 H GLN A 14 11.704 27.711 -25.824 1.00 0.00 H new ATOM 0 HA GLN A 14 9.414 29.162 -26.820 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.919 30.149 -28.382 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.783 30.035 -26.862 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.152 28.145 -29.229 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.196 29.501 -28.853 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.843 26.624 -29.115 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.587 26.157 -27.582 1.00 0.00 H new ATOM 207 N ALA A 15 8.845 28.011 -29.064 1.00 0.00 N ATOM 208 CA ALA A 15 8.369 27.267 -30.245 1.00 0.00 C ATOM 209 C ALA A 15 9.553 26.883 -31.158 1.00 0.00 C ATOM 210 O ALA A 15 10.234 27.757 -31.706 1.00 0.00 O ATOM 211 CB ALA A 15 7.329 28.104 -31.008 1.00 0.00 C ATOM 0 H ALA A 15 8.422 28.934 -28.968 1.00 0.00 H new ATOM 0 HA ALA A 15 7.892 26.344 -29.914 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.982 27.548 -31.879 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.484 28.318 -30.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.783 29.040 -31.333 1.00 0.00 H new ATOM 217 N GLY A 16 9.802 25.570 -31.264 1.00 0.00 N ATOM 218 CA GLY A 16 10.944 25.023 -32.002 1.00 0.00 C ATOM 219 C GLY A 16 12.036 24.491 -31.071 1.00 0.00 C ATOM 220 O GLY A 16 13.153 24.197 -31.524 1.00 0.00 O ATOM 0 H GLY A 16 9.212 24.856 -30.837 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.601 24.219 -32.653 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.363 25.797 -32.645 1.00 0.00 H new ATOM 224 N GLY A 17 11.707 24.370 -29.765 1.00 0.00 N ATOM 225 CA GLY A 17 12.638 23.835 -28.761 1.00 0.00 C ATOM 226 C GLY A 17 12.306 22.409 -28.338 1.00 0.00 C ATOM 227 O GLY A 17 11.507 21.728 -28.986 1.00 0.00 O ATOM 0 H GLY A 17 10.799 24.638 -29.386 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.651 23.862 -29.163 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.626 24.480 -27.883 1.00 0.00 H new ATOM 231 N SER A 18 12.932 21.949 -27.245 1.00 0.00 N ATOM 232 CA SER A 18 12.698 20.610 -26.670 1.00 0.00 C ATOM 233 C SER A 18 12.489 20.719 -25.151 1.00 0.00 C ATOM 234 O SER A 18 12.946 21.683 -24.526 1.00 0.00 O ATOM 235 CB SER A 18 13.892 19.676 -26.990 1.00 0.00 C ATOM 236 OG SER A 18 15.115 20.227 -26.533 1.00 0.00 O ATOM 0 H SER A 18 13.620 22.497 -26.729 1.00 0.00 H new ATOM 0 HA SER A 18 11.798 20.184 -27.115 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.732 18.704 -26.523 1.00 0.00 H new ATOM 0 HB3 SER A 18 13.946 19.507 -28.066 1.00 0.00 H new ATOM 0 HG SER A 18 15.850 19.615 -26.747 1.00 0.00 H new ATOM 242 N LEU A 19 11.813 19.717 -24.574 1.00 0.00 N ATOM 243 CA LEU A 19 11.520 19.659 -23.138 1.00 0.00 C ATOM 244 C LEU A 19 11.218 18.204 -22.751 1.00 0.00 C ATOM 245 O LEU A 19 10.288 17.598 -23.293 1.00 0.00 O ATOM 246 CB LEU A 19 10.331 20.601 -22.794 1.00 0.00 C ATOM 247 CG LEU A 19 9.965 20.758 -21.285 1.00 0.00 C ATOM 248 CD1 LEU A 19 11.183 21.207 -20.437 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.776 21.734 -21.120 1.00 0.00 C ATOM 0 H LEU A 19 11.452 18.918 -25.096 1.00 0.00 H new ATOM 0 HA LEU A 19 12.382 20.001 -22.565 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.556 21.590 -23.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.448 20.238 -23.321 1.00 0.00 H new ATOM 0 HG LEU A 19 9.665 19.779 -20.911 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.884 21.304 -19.393 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.977 20.465 -20.519 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.545 22.168 -20.801 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.531 21.834 -20.063 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.047 22.710 -21.524 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.910 21.347 -21.658 1.00 0.00 H new ATOM 261 N ARG A 20 12.025 17.647 -21.836 1.00 0.00 N ATOM 262 CA ARG A 20 11.892 16.250 -21.395 1.00 0.00 C ATOM 263 C ARG A 20 11.156 16.182 -20.047 1.00 0.00 C ATOM 264 O ARG A 20 11.534 16.859 -19.089 1.00 0.00 O ATOM 265 CB ARG A 20 13.284 15.578 -21.277 1.00 0.00 C ATOM 266 CG ARG A 20 13.242 14.052 -21.008 1.00 0.00 C ATOM 267 CD ARG A 20 14.638 13.437 -20.772 1.00 0.00 C ATOM 268 NE ARG A 20 15.578 13.747 -21.865 1.00 0.00 N ATOM 269 CZ ARG A 20 16.732 13.110 -22.110 1.00 0.00 C ATOM 270 NH1 ARG A 20 17.125 12.078 -21.361 1.00 0.00 N ATOM 271 NH2 ARG A 20 17.479 13.510 -23.127 1.00 0.00 N ATOM 0 H ARG A 20 12.787 18.151 -21.382 1.00 0.00 H new ATOM 0 HA ARG A 20 11.309 15.710 -22.142 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.838 15.756 -22.198 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.839 16.061 -20.473 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.616 13.860 -20.137 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.771 13.553 -21.855 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.043 13.810 -19.831 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.544 12.356 -20.672 1.00 0.00 H new ATOM 0 HE ARG A 20 15.328 14.514 -22.490 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.544 11.760 -20.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.007 11.607 -21.564 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.173 14.290 -23.708 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.360 13.038 -23.329 1.00 0.00 H new ATOM 285 N LEU A 21 10.089 15.378 -20.004 1.00 0.00 N ATOM 286 CA LEU A 21 9.377 15.027 -18.774 1.00 0.00 C ATOM 287 C LEU A 21 10.025 13.791 -18.130 1.00 0.00 C ATOM 288 O LEU A 21 10.711 13.002 -18.800 1.00 0.00 O ATOM 289 CB LEU A 21 7.863 14.754 -19.048 1.00 0.00 C ATOM 290 CG LEU A 21 6.995 15.969 -19.504 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.189 17.164 -18.566 1.00 0.00 C ATOM 292 CD2 LEU A 21 7.261 16.348 -20.971 1.00 0.00 C ATOM 0 H LEU A 21 9.690 14.946 -20.838 1.00 0.00 H new ATOM 0 HA LEU A 21 9.447 15.873 -18.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.791 13.980 -19.813 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.422 14.345 -18.139 1.00 0.00 H new ATOM 0 HG LEU A 21 5.950 15.665 -19.444 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.573 17.997 -18.906 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.895 16.884 -17.555 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.237 17.463 -18.569 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.636 17.198 -21.246 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.311 16.615 -21.093 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.025 15.500 -21.614 1.00 0.00 H new ATOM 304 N SER A 22 9.798 13.655 -16.829 1.00 0.00 N ATOM 305 CA SER A 22 10.260 12.531 -16.018 1.00 0.00 C ATOM 306 C SER A 22 9.159 12.168 -15.016 1.00 0.00 C ATOM 307 O SER A 22 8.397 13.036 -14.602 1.00 0.00 O ATOM 308 CB SER A 22 11.570 12.918 -15.294 1.00 0.00 C ATOM 309 OG SER A 22 11.415 14.115 -14.553 1.00 0.00 O ATOM 0 H SER A 22 9.272 14.344 -16.291 1.00 0.00 H new ATOM 0 HA SER A 22 10.467 11.664 -16.646 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.871 12.111 -14.626 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.369 13.041 -16.025 1.00 0.00 H new ATOM 0 HG SER A 22 10.847 14.738 -15.053 1.00 0.00 H new ATOM 315 N CYS A 23 9.061 10.886 -14.650 1.00 0.00 N ATOM 316 CA CYS A 23 8.080 10.397 -13.671 1.00 0.00 C ATOM 317 C CYS A 23 8.771 9.443 -12.705 1.00 0.00 C ATOM 318 O CYS A 23 9.028 8.283 -13.042 1.00 0.00 O ATOM 319 CB CYS A 23 6.895 9.691 -14.360 1.00 0.00 C ATOM 320 SG CYS A 23 5.673 9.031 -13.202 1.00 0.00 S ATOM 0 H CYS A 23 9.663 10.153 -15.026 1.00 0.00 H new ATOM 0 HA CYS A 23 7.679 11.252 -13.126 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.404 10.395 -15.031 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.276 8.877 -14.976 1.00 0.00 H new ATOM 0 HG CYS A 23 4.752 8.392 -13.860 1.00 0.00 H new ATOM 326 N VAL A 24 9.084 9.943 -11.509 1.00 0.00 N ATOM 327 CA VAL A 24 9.783 9.174 -10.479 1.00 0.00 C ATOM 328 C VAL A 24 8.747 8.347 -9.704 1.00 0.00 C ATOM 329 O VAL A 24 7.827 8.906 -9.079 1.00 0.00 O ATOM 330 CB VAL A 24 10.571 10.125 -9.508 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.348 9.329 -8.431 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.516 11.076 -10.299 1.00 0.00 C ATOM 0 H VAL A 24 8.859 10.897 -11.226 1.00 0.00 H new ATOM 0 HA VAL A 24 10.511 8.512 -10.947 1.00 0.00 H new ATOM 0 HB VAL A 24 9.837 10.740 -8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 24 11.880 10.022 -7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.648 8.739 -7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.064 8.665 -8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.048 11.723 -9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.235 10.485 -10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.928 11.687 -10.983 1.00 0.00 H new ATOM 342 N ALA A 25 8.891 7.015 -9.766 1.00 0.00 N ATOM 343 CA ALA A 25 7.912 6.091 -9.196 1.00 0.00 C ATOM 344 C ALA A 25 8.258 5.770 -7.730 1.00 0.00 C ATOM 345 O ALA A 25 9.129 4.932 -7.452 1.00 0.00 O ATOM 346 CB ALA A 25 7.848 4.805 -10.050 1.00 0.00 C ATOM 0 H ALA A 25 9.685 6.555 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 25 6.929 6.562 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.117 4.119 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.554 5.059 -11.068 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.828 4.328 -10.064 1.00 0.00 H new ATOM 352 N SER A 26 7.571 6.496 -6.816 1.00 0.00 N ATOM 353 CA SER A 26 7.599 6.277 -5.353 1.00 0.00 C ATOM 354 C SER A 26 9.046 6.229 -4.793 1.00 0.00 C ATOM 355 O SER A 26 9.423 5.311 -4.052 1.00 0.00 O ATOM 356 CB SER A 26 6.771 5.004 -5.021 1.00 0.00 C ATOM 357 OG SER A 26 5.465 5.065 -5.594 1.00 0.00 O ATOM 0 H SER A 26 6.966 7.271 -7.085 1.00 0.00 H new ATOM 0 HA SER A 26 7.138 7.127 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.292 4.122 -5.394 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.690 4.893 -3.940 1.00 0.00 H new ATOM 0 HG SER A 26 4.970 4.250 -5.369 1.00 0.00 H new ATOM 363 N GLY A 27 9.852 7.242 -5.177 1.00 0.00 N ATOM 364 CA GLY A 27 11.265 7.319 -4.791 1.00 0.00 C ATOM 365 C GLY A 27 12.144 6.502 -5.735 1.00 0.00 C ATOM 366 O GLY A 27 12.783 7.057 -6.633 1.00 0.00 O ATOM 0 H GLY A 27 9.539 8.020 -5.758 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.590 8.359 -4.798 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.386 6.954 -3.771 1.00 0.00 H new ATOM 370 N ARG A 28 12.139 5.171 -5.531 1.00 0.00 N ATOM 371 CA ARG A 28 12.870 4.198 -6.363 1.00 0.00 C ATOM 372 C ARG A 28 12.458 2.773 -5.931 1.00 0.00 C ATOM 373 O ARG A 28 13.102 2.160 -5.066 1.00 0.00 O ATOM 374 CB ARG A 28 14.414 4.377 -6.229 1.00 0.00 C ATOM 375 CG ARG A 28 15.263 3.458 -7.141 1.00 0.00 C ATOM 376 CD ARG A 28 16.777 3.576 -6.877 1.00 0.00 C ATOM 377 NE ARG A 28 17.151 3.113 -5.523 1.00 0.00 N ATOM 378 CZ ARG A 28 17.570 3.887 -4.505 1.00 0.00 C ATOM 379 NH1 ARG A 28 17.651 5.209 -4.631 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.892 3.323 -3.357 1.00 0.00 N ATOM 0 H ARG A 28 11.618 4.735 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 28 12.614 4.364 -7.409 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.665 5.414 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.697 4.195 -5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.954 2.423 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.062 3.705 -8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.319 2.992 -7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.085 4.614 -7.001 1.00 0.00 H new ATOM 0 HE ARG A 28 17.085 2.111 -5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.393 5.654 -5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.971 5.777 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.822 2.311 -3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.211 3.899 -2.578 1.00 0.00 H new ATOM 394 N THR A 29 11.348 2.280 -6.493 1.00 0.00 N ATOM 395 CA THR A 29 10.804 0.949 -6.178 1.00 0.00 C ATOM 396 C THR A 29 10.308 0.262 -7.458 1.00 0.00 C ATOM 397 O THR A 29 9.943 0.932 -8.437 1.00 0.00 O ATOM 398 CB THR A 29 9.642 1.044 -5.128 1.00 0.00 C ATOM 399 OG1 THR A 29 9.166 -0.267 -4.765 1.00 0.00 O ATOM 400 CG2 THR A 29 8.460 1.885 -5.643 1.00 0.00 C ATOM 0 H THR A 29 10.798 2.793 -7.182 1.00 0.00 H new ATOM 0 HA THR A 29 11.605 0.352 -5.741 1.00 0.00 H new ATOM 0 HB THR A 29 10.059 1.539 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.443 -0.182 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.681 1.922 -4.882 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.801 2.897 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.060 1.433 -6.550 1.00 0.00 H new ATOM 408 N PHE A 30 10.260 -1.077 -7.426 1.00 0.00 N ATOM 409 CA PHE A 30 9.822 -1.900 -8.559 1.00 0.00 C ATOM 410 C PHE A 30 8.427 -2.445 -8.244 1.00 0.00 C ATOM 411 O PHE A 30 8.250 -3.205 -7.282 1.00 0.00 O ATOM 412 CB PHE A 30 10.816 -3.070 -8.798 1.00 0.00 C ATOM 413 CG PHE A 30 12.231 -2.619 -9.154 1.00 0.00 C ATOM 414 CD1 PHE A 30 12.645 -2.553 -10.480 1.00 0.00 C ATOM 415 CD2 PHE A 30 13.145 -2.248 -8.162 1.00 0.00 C ATOM 416 CE1 PHE A 30 13.921 -2.134 -10.808 1.00 0.00 C ATOM 417 CE2 PHE A 30 14.420 -1.829 -8.492 1.00 0.00 C ATOM 418 CZ PHE A 30 14.807 -1.773 -9.815 1.00 0.00 C ATOM 0 H PHE A 30 10.526 -1.622 -6.606 1.00 0.00 H new ATOM 0 HA PHE A 30 9.793 -1.297 -9.466 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.857 -3.687 -7.901 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.434 -3.700 -9.601 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.959 -2.833 -11.266 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.850 -2.290 -7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.224 -2.089 -11.844 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.113 -1.545 -7.714 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.804 -1.447 -10.073 1.00 0.00 H new ATOM 428 N ARG A 31 7.460 -2.053 -9.082 1.00 0.00 N ATOM 429 CA ARG A 31 6.043 -2.412 -8.951 1.00 0.00 C ATOM 430 C ARG A 31 5.273 -1.923 -10.188 1.00 0.00 C ATOM 431 O ARG A 31 5.754 -1.037 -10.912 1.00 0.00 O ATOM 432 CB ARG A 31 5.422 -1.829 -7.652 1.00 0.00 C ATOM 433 CG ARG A 31 5.443 -0.287 -7.552 1.00 0.00 C ATOM 434 CD ARG A 31 4.877 0.217 -6.214 1.00 0.00 C ATOM 435 NE ARG A 31 3.529 -0.329 -5.951 1.00 0.00 N ATOM 436 CZ ARG A 31 3.001 -0.549 -4.735 1.00 0.00 C ATOM 437 NH1 ARG A 31 3.680 -0.259 -3.636 1.00 0.00 N ATOM 438 NH2 ARG A 31 1.794 -1.071 -4.629 1.00 0.00 N ATOM 0 H ARG A 31 7.647 -1.461 -9.892 1.00 0.00 H new ATOM 0 HA ARG A 31 5.968 -3.497 -8.884 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.389 -2.169 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.956 -2.241 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.467 0.069 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.863 0.136 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.549 -0.067 -5.404 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.833 1.306 -6.224 1.00 0.00 H new ATOM 0 HE ARG A 31 2.951 -0.558 -6.760 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.617 0.137 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.266 -0.432 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.265 -1.306 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.390 -1.239 -3.708 1.00 0.00 H new ATOM 452 N SER A 32 4.076 -2.510 -10.407 1.00 0.00 N ATOM 453 CA SER A 32 3.262 -2.321 -11.630 1.00 0.00 C ATOM 454 C SER A 32 3.985 -2.894 -12.875 1.00 0.00 C ATOM 455 O SER A 32 5.099 -3.428 -12.773 1.00 0.00 O ATOM 456 CB SER A 32 2.853 -0.830 -11.826 1.00 0.00 C ATOM 457 OG SER A 32 2.138 -0.335 -10.699 1.00 0.00 O ATOM 0 H SER A 32 3.641 -3.137 -9.730 1.00 0.00 H new ATOM 0 HA SER A 32 2.338 -2.884 -11.503 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.745 -0.225 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.237 -0.735 -12.720 1.00 0.00 H new ATOM 0 HG SER A 32 1.760 0.544 -10.912 1.00 0.00 H new ATOM 463 N ASN A 33 3.326 -2.830 -14.041 1.00 0.00 N ATOM 464 CA ASN A 33 3.916 -3.280 -15.321 1.00 0.00 C ATOM 465 C ASN A 33 3.398 -2.429 -16.486 1.00 0.00 C ATOM 466 O ASN A 33 3.499 -2.820 -17.655 1.00 0.00 O ATOM 467 CB ASN A 33 3.647 -4.800 -15.540 1.00 0.00 C ATOM 468 CG ASN A 33 2.166 -5.183 -15.465 1.00 0.00 C ATOM 469 OD1 ASN A 33 1.463 -5.179 -16.471 1.00 0.00 O ATOM 470 ND2 ASN A 33 1.697 -5.524 -14.271 1.00 0.00 N ATOM 0 H ASN A 33 2.376 -2.469 -14.129 1.00 0.00 H new ATOM 0 HA ASN A 33 4.996 -3.143 -15.279 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.039 -5.092 -16.514 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.198 -5.369 -14.791 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.720 -5.796 -14.166 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.314 -5.514 -13.459 1.00 0.00 H new ATOM 477 N ALA A 34 2.881 -1.237 -16.142 1.00 0.00 N ATOM 478 CA ALA A 34 2.396 -0.248 -17.109 1.00 0.00 C ATOM 479 C ALA A 34 2.458 1.155 -16.492 1.00 0.00 C ATOM 480 O ALA A 34 1.958 1.370 -15.389 1.00 0.00 O ATOM 481 CB ALA A 34 0.963 -0.583 -17.553 1.00 0.00 C ATOM 0 H ALA A 34 2.789 -0.934 -15.173 1.00 0.00 H new ATOM 0 HA ALA A 34 3.036 -0.273 -17.991 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.621 0.163 -18.271 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.947 -1.569 -18.018 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.303 -0.581 -16.685 1.00 0.00 H new ATOM 487 N MET A 35 3.143 2.080 -17.182 1.00 0.00 N ATOM 488 CA MET A 35 3.163 3.513 -16.863 1.00 0.00 C ATOM 489 C MET A 35 3.107 4.292 -18.191 1.00 0.00 C ATOM 490 O MET A 35 3.984 4.135 -19.031 1.00 0.00 O ATOM 491 CB MET A 35 4.439 3.890 -16.043 1.00 0.00 C ATOM 492 CG MET A 35 4.528 3.240 -14.651 1.00 0.00 C ATOM 493 SD MET A 35 6.085 3.576 -13.797 1.00 0.00 S ATOM 494 CE MET A 35 5.898 2.544 -12.343 1.00 0.00 C ATOM 0 H MET A 35 3.711 1.845 -17.996 1.00 0.00 H new ATOM 0 HA MET A 35 2.305 3.770 -16.242 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.320 3.606 -16.618 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.471 4.973 -15.925 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.702 3.599 -14.038 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.404 2.162 -14.754 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.781 2.641 -11.712 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.016 2.859 -11.784 1.00 0.00 H new ATOM 0 HE3 MET A 35 5.782 1.504 -12.648 1.00 0.00 H new ATOM 504 N GLY A 36 2.067 5.117 -18.371 1.00 0.00 N ATOM 505 CA GLY A 36 1.846 5.871 -19.612 1.00 0.00 C ATOM 506 C GLY A 36 1.727 7.365 -19.376 1.00 0.00 C ATOM 507 O GLY A 36 1.765 7.818 -18.233 1.00 0.00 O ATOM 0 H GLY A 36 1.355 5.281 -17.660 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.670 5.680 -20.300 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.938 5.510 -20.095 1.00 0.00 H new ATOM 511 N TRP A 37 1.583 8.136 -20.468 1.00 0.00 N ATOM 512 CA TRP A 37 1.478 9.603 -20.424 1.00 0.00 C ATOM 513 C TRP A 37 0.137 10.069 -21.016 1.00 0.00 C ATOM 514 O TRP A 37 -0.355 9.513 -22.005 1.00 0.00 O ATOM 515 CB TRP A 37 2.652 10.263 -21.203 1.00 0.00 C ATOM 516 CG TRP A 37 4.017 9.989 -20.609 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.903 9.020 -20.984 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.639 10.695 -19.521 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.040 9.094 -20.221 1.00 0.00 N ATOM 520 CE2 TRP A 37 5.896 10.110 -19.310 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.248 11.772 -18.709 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.771 10.561 -18.327 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.118 12.218 -17.731 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.367 11.612 -17.547 1.00 0.00 C ATOM 0 H TRP A 37 1.536 7.754 -21.413 1.00 0.00 H new ATOM 0 HA TRP A 37 1.530 9.911 -19.380 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.637 9.906 -22.233 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.492 11.341 -21.237 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.733 8.298 -21.769 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.858 8.493 -20.315 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.286 12.243 -18.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.736 10.098 -18.184 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 4.830 13.046 -17.100 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.025 11.981 -16.774 1.00 0.00 H new ATOM 535 N PHE A 38 -0.451 11.077 -20.360 1.00 0.00 N ATOM 536 CA PHE A 38 -1.613 11.843 -20.840 1.00 0.00 C ATOM 537 C PHE A 38 -1.242 13.340 -20.775 1.00 0.00 C ATOM 538 O PHE A 38 -0.232 13.702 -20.155 1.00 0.00 O ATOM 539 CB PHE A 38 -2.878 11.572 -19.971 1.00 0.00 C ATOM 540 CG PHE A 38 -3.356 10.119 -19.931 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.691 9.162 -19.165 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.476 9.712 -20.651 1.00 0.00 C ATOM 543 CE1 PHE A 38 -3.129 7.853 -19.129 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.912 8.400 -20.613 1.00 0.00 C ATOM 545 CZ PHE A 38 -4.237 7.471 -19.850 1.00 0.00 C ATOM 0 H PHE A 38 -0.121 11.394 -19.449 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.853 11.540 -21.859 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.672 11.896 -18.951 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.692 12.193 -20.344 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.822 9.449 -18.592 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.013 10.433 -21.249 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.599 7.125 -18.532 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.781 8.103 -21.181 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.577 6.446 -19.818 1.00 0.00 H new ATOM 555 N ARG A 39 -2.049 14.204 -21.416 1.00 0.00 N ATOM 556 CA ARG A 39 -1.837 15.666 -21.370 1.00 0.00 C ATOM 557 C ARG A 39 -3.157 16.407 -21.551 1.00 0.00 C ATOM 558 O ARG A 39 -3.967 16.031 -22.396 1.00 0.00 O ATOM 559 CB ARG A 39 -0.785 16.109 -22.428 1.00 0.00 C ATOM 560 CG ARG A 39 -1.168 15.960 -23.937 1.00 0.00 C ATOM 561 CD ARG A 39 -1.767 17.243 -24.549 1.00 0.00 C ATOM 562 NE ARG A 39 -2.001 17.117 -25.998 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.299 17.750 -26.949 1.00 0.00 C ATOM 564 NH1 ARG A 39 -0.194 18.446 -26.649 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.680 17.634 -28.209 1.00 0.00 N ATOM 0 H ARG A 39 -2.854 13.917 -21.972 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.442 15.925 -20.387 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.544 17.156 -22.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.127 15.537 -22.255 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.280 15.677 -24.503 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.886 15.147 -24.043 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.708 17.475 -24.050 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.093 18.080 -24.364 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.755 16.501 -26.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.127 18.501 -25.682 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.326 18.920 -27.387 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.496 17.070 -28.445 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.158 18.109 -28.945 1.00 0.00 H new ATOM 579 N GLN A 40 -3.354 17.482 -20.779 1.00 0.00 N ATOM 580 CA GLN A 40 -4.567 18.308 -20.849 1.00 0.00 C ATOM 581 C GLN A 40 -4.183 19.768 -21.092 1.00 0.00 C ATOM 582 O GLN A 40 -3.385 20.335 -20.350 1.00 0.00 O ATOM 583 CB GLN A 40 -5.373 18.152 -19.532 1.00 0.00 C ATOM 584 CG GLN A 40 -6.630 19.033 -19.438 1.00 0.00 C ATOM 585 CD GLN A 40 -7.506 18.753 -18.214 1.00 0.00 C ATOM 586 OE1 GLN A 40 -7.021 18.350 -17.156 1.00 0.00 O ATOM 587 NE2 GLN A 40 -8.803 18.963 -18.361 1.00 0.00 N ATOM 0 H GLN A 40 -2.677 17.805 -20.088 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.194 17.980 -21.678 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.669 17.108 -19.425 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.719 18.386 -18.692 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -6.325 20.079 -19.420 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.228 18.890 -20.338 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.168 19.297 -19.253 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.439 18.791 -17.582 1.00 0.00 H new ATOM 596 N ALA A 41 -4.794 20.375 -22.111 1.00 0.00 N ATOM 597 CA ALA A 41 -4.545 21.774 -22.486 1.00 0.00 C ATOM 598 C ALA A 41 -5.666 22.674 -21.911 1.00 0.00 C ATOM 599 O ALA A 41 -6.733 22.154 -21.556 1.00 0.00 O ATOM 600 CB ALA A 41 -4.450 21.875 -24.022 1.00 0.00 C ATOM 0 H ALA A 41 -5.480 19.910 -22.705 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.600 22.121 -22.067 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.265 22.911 -24.308 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.632 21.249 -24.378 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.386 21.537 -24.467 1.00 0.00 H new ATOM 606 N PRO A 42 -5.423 24.021 -21.750 1.00 0.00 N ATOM 607 CA PRO A 42 -6.477 24.990 -21.347 1.00 0.00 C ATOM 608 C PRO A 42 -7.713 24.954 -22.284 1.00 0.00 C ATOM 609 O PRO A 42 -7.599 25.245 -23.482 1.00 0.00 O ATOM 610 CB PRO A 42 -5.750 26.362 -21.418 1.00 0.00 C ATOM 611 CG PRO A 42 -4.306 26.026 -21.212 1.00 0.00 C ATOM 612 CD PRO A 42 -4.100 24.696 -21.895 1.00 0.00 C ATOM 0 HA PRO A 42 -6.884 24.767 -20.361 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.912 26.849 -22.380 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.113 27.045 -20.650 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.660 26.792 -21.641 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.065 25.964 -20.151 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.826 24.821 -22.943 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.303 24.122 -21.423 1.00 0.00 H new ATOM 620 N GLY A 43 -8.872 24.555 -21.725 1.00 0.00 N ATOM 621 CA GLY A 43 -10.127 24.438 -22.484 1.00 0.00 C ATOM 622 C GLY A 43 -10.366 23.041 -23.063 1.00 0.00 C ATOM 623 O GLY A 43 -11.456 22.757 -23.579 1.00 0.00 O ATOM 0 H GLY A 43 -8.962 24.307 -20.740 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.961 24.700 -21.833 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.118 25.163 -23.298 1.00 0.00 H new ATOM 627 N LYS A 44 -9.353 22.162 -22.952 1.00 0.00 N ATOM 628 CA LYS A 44 -9.378 20.792 -23.514 1.00 0.00 C ATOM 629 C LYS A 44 -9.350 19.741 -22.384 1.00 0.00 C ATOM 630 O LYS A 44 -9.019 20.057 -21.239 1.00 0.00 O ATOM 631 CB LYS A 44 -8.160 20.589 -24.468 1.00 0.00 C ATOM 632 CG LYS A 44 -8.001 21.641 -25.615 1.00 0.00 C ATOM 633 CD LYS A 44 -8.918 21.412 -26.859 1.00 0.00 C ATOM 634 CE LYS A 44 -10.420 21.664 -26.616 1.00 0.00 C ATOM 635 NZ LYS A 44 -11.210 21.594 -27.864 1.00 0.00 N ATOM 0 H LYS A 44 -8.484 22.382 -22.465 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.301 20.663 -24.080 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.250 20.595 -23.868 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.238 19.600 -24.918 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.207 22.631 -25.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.962 21.641 -25.945 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.581 22.064 -27.665 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.788 20.386 -27.204 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.799 20.928 -25.907 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.552 22.645 -26.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.213 21.770 -27.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.867 22.313 -28.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.107 20.650 -28.288 1.00 0.00 H new ATOM 649 N GLU A 45 -9.720 18.495 -22.720 1.00 0.00 N ATOM 650 CA GLU A 45 -9.645 17.338 -21.796 1.00 0.00 C ATOM 651 C GLU A 45 -8.231 16.717 -21.832 1.00 0.00 C ATOM 652 O GLU A 45 -7.374 17.152 -22.619 1.00 0.00 O ATOM 653 CB GLU A 45 -10.704 16.273 -22.190 1.00 0.00 C ATOM 654 CG GLU A 45 -10.484 15.640 -23.580 1.00 0.00 C ATOM 655 CD GLU A 45 -11.445 14.480 -23.875 1.00 0.00 C ATOM 656 OE1 GLU A 45 -12.553 14.726 -24.395 1.00 0.00 O ATOM 657 OE2 GLU A 45 -11.099 13.313 -23.572 1.00 0.00 O ATOM 0 H GLU A 45 -10.082 18.254 -23.643 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.851 17.684 -20.783 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.703 15.482 -21.440 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -11.691 16.734 -22.166 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.605 16.407 -24.345 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.458 15.280 -23.650 1.00 0.00 H new ATOM 664 N ARG A 46 -7.975 15.708 -20.963 1.00 0.00 N ATOM 665 CA ARG A 46 -6.717 14.945 -21.028 1.00 0.00 C ATOM 666 C ARG A 46 -6.823 13.904 -22.158 1.00 0.00 C ATOM 667 O ARG A 46 -7.840 13.209 -22.288 1.00 0.00 O ATOM 668 CB ARG A 46 -6.292 14.299 -19.661 1.00 0.00 C ATOM 669 CG ARG A 46 -7.012 13.000 -19.194 1.00 0.00 C ATOM 670 CD ARG A 46 -8.465 13.209 -18.699 1.00 0.00 C ATOM 671 NE ARG A 46 -9.455 13.282 -19.794 1.00 0.00 N ATOM 672 CZ ARG A 46 -10.771 13.478 -19.627 1.00 0.00 C ATOM 673 NH1 ARG A 46 -11.275 13.760 -18.434 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.578 13.402 -20.671 1.00 0.00 N ATOM 0 H ARG A 46 -8.613 15.412 -20.224 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.913 15.646 -21.251 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.225 14.085 -19.714 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.428 15.051 -18.883 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.023 12.289 -20.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.430 12.547 -18.391 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.734 12.391 -18.030 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.513 14.128 -18.114 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.111 13.175 -20.748 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.659 13.831 -17.624 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.279 13.906 -18.326 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.198 13.196 -21.595 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.580 13.550 -20.553 1.00 0.00 H new ATOM 688 N GLU A 47 -5.786 13.869 -22.996 1.00 0.00 N ATOM 689 CA GLU A 47 -5.675 12.973 -24.146 1.00 0.00 C ATOM 690 C GLU A 47 -4.500 12.015 -23.930 1.00 0.00 C ATOM 691 O GLU A 47 -3.442 12.422 -23.430 1.00 0.00 O ATOM 692 CB GLU A 47 -5.467 13.797 -25.453 1.00 0.00 C ATOM 693 CG GLU A 47 -5.297 12.962 -26.745 1.00 0.00 C ATOM 694 CD GLU A 47 -6.521 12.083 -27.086 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.456 12.579 -27.747 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.556 10.892 -26.695 1.00 0.00 O ATOM 0 H GLU A 47 -4.977 14.481 -22.890 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.595 12.397 -24.246 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.320 14.464 -25.581 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.586 14.426 -25.329 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.102 13.636 -27.579 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.420 12.323 -26.640 1.00 0.00 H new ATOM 703 N PHE A 48 -4.713 10.757 -24.329 1.00 0.00 N ATOM 704 CA PHE A 48 -3.727 9.677 -24.247 1.00 0.00 C ATOM 705 C PHE A 48 -2.560 9.945 -25.217 1.00 0.00 C ATOM 706 O PHE A 48 -2.731 9.891 -26.443 1.00 0.00 O ATOM 707 CB PHE A 48 -4.454 8.337 -24.568 1.00 0.00 C ATOM 708 CG PHE A 48 -3.582 7.080 -24.580 1.00 0.00 C ATOM 709 CD1 PHE A 48 -3.228 6.461 -25.783 1.00 0.00 C ATOM 710 CD2 PHE A 48 -3.135 6.505 -23.389 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.459 5.314 -25.791 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.364 5.360 -23.402 1.00 0.00 C ATOM 713 CZ PHE A 48 -2.027 4.765 -24.602 1.00 0.00 C ATOM 0 H PHE A 48 -5.601 10.454 -24.729 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.298 9.620 -23.247 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.249 8.195 -23.836 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.932 8.432 -25.543 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.561 6.886 -26.719 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.396 6.962 -22.446 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.196 4.847 -26.729 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.024 4.929 -22.472 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.424 3.869 -24.609 1.00 0.00 H new ATOM 723 N VAL A 49 -1.382 10.274 -24.648 1.00 0.00 N ATOM 724 CA VAL A 49 -0.148 10.491 -25.424 1.00 0.00 C ATOM 725 C VAL A 49 0.437 9.128 -25.826 1.00 0.00 C ATOM 726 O VAL A 49 0.580 8.825 -27.016 1.00 0.00 O ATOM 727 CB VAL A 49 0.936 11.321 -24.625 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.237 11.549 -25.450 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.352 12.663 -24.129 1.00 0.00 C ATOM 0 H VAL A 49 -1.262 10.396 -23.642 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.410 11.075 -26.306 1.00 0.00 H new ATOM 0 HB VAL A 49 1.213 10.724 -23.756 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.948 12.123 -24.856 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.676 10.586 -25.711 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.999 12.097 -26.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.118 13.214 -23.583 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.020 13.253 -24.983 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.495 12.470 -23.470 1.00 0.00 H new ATOM 739 N ALA A 50 0.725 8.302 -24.803 1.00 0.00 N ATOM 740 CA ALA A 50 1.414 7.019 -24.980 1.00 0.00 C ATOM 741 C ALA A 50 1.264 6.111 -23.748 1.00 0.00 C ATOM 742 O ALA A 50 0.684 6.502 -22.738 1.00 0.00 O ATOM 743 CB ALA A 50 2.900 7.251 -25.318 1.00 0.00 C ATOM 0 H ALA A 50 0.485 8.509 -23.833 1.00 0.00 H new ATOM 0 HA ALA A 50 0.942 6.502 -25.816 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.398 6.290 -25.446 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.978 7.826 -26.241 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.376 7.801 -24.506 1.00 0.00 H new ATOM 749 N ALA A 51 1.777 4.877 -23.885 1.00 0.00 N ATOM 750 CA ALA A 51 1.825 3.869 -22.814 1.00 0.00 C ATOM 751 C ALA A 51 3.153 3.100 -22.912 1.00 0.00 C ATOM 752 O ALA A 51 3.544 2.679 -24.013 1.00 0.00 O ATOM 753 CB ALA A 51 0.619 2.909 -22.902 1.00 0.00 C ATOM 0 H ALA A 51 2.178 4.546 -24.762 1.00 0.00 H new ATOM 0 HA ALA A 51 1.768 4.367 -21.846 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.679 2.174 -22.099 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.306 3.477 -22.805 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.631 2.397 -23.864 1.00 0.00 H new ATOM 759 N ILE A 52 3.857 2.978 -21.765 1.00 0.00 N ATOM 760 CA ILE A 52 5.092 2.189 -21.642 1.00 0.00 C ATOM 761 C ILE A 52 4.798 1.000 -20.729 1.00 0.00 C ATOM 762 O ILE A 52 4.491 1.188 -19.563 1.00 0.00 O ATOM 763 CB ILE A 52 6.327 3.006 -21.057 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.572 4.367 -21.809 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.613 2.136 -21.082 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.623 5.503 -21.444 1.00 0.00 C ATOM 0 H ILE A 52 3.578 3.430 -20.894 1.00 0.00 H new ATOM 0 HA ILE A 52 5.384 1.880 -22.646 1.00 0.00 H new ATOM 0 HB ILE A 52 6.078 3.256 -20.026 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.593 4.693 -21.610 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.499 4.187 -22.882 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.448 2.709 -20.679 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.460 1.243 -20.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.835 1.844 -22.109 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.881 6.392 -22.020 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.598 5.208 -21.671 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.710 5.722 -20.380 1.00 0.00 H new ATOM 778 N ARG A 53 4.891 -0.219 -21.266 1.00 0.00 N ATOM 779 CA ARG A 53 4.632 -1.451 -20.498 1.00 0.00 C ATOM 780 C ARG A 53 5.913 -2.281 -20.352 1.00 0.00 C ATOM 781 O ARG A 53 6.941 -1.991 -20.985 1.00 0.00 O ATOM 782 CB ARG A 53 3.477 -2.287 -21.146 1.00 0.00 C ATOM 783 CG ARG A 53 2.065 -1.738 -20.829 1.00 0.00 C ATOM 784 CD ARG A 53 0.913 -2.623 -21.349 1.00 0.00 C ATOM 785 NE ARG A 53 0.664 -2.446 -22.797 1.00 0.00 N ATOM 786 CZ ARG A 53 -0.313 -1.679 -23.324 1.00 0.00 C ATOM 787 NH1 ARG A 53 -1.100 -0.948 -22.538 1.00 0.00 N ATOM 788 NH2 ARG A 53 -0.496 -1.639 -24.640 1.00 0.00 N ATOM 0 H ARG A 53 5.146 -0.385 -22.239 1.00 0.00 H new ATOM 0 HA ARG A 53 4.306 -1.165 -19.498 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.616 -2.307 -22.227 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.545 -3.317 -20.797 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.964 -1.627 -19.749 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.968 -0.743 -21.263 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.146 -3.669 -21.150 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.003 -2.389 -20.797 1.00 0.00 H new ATOM 0 HE ARG A 53 1.277 -2.941 -23.445 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.968 -0.964 -21.527 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.836 -0.372 -22.947 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.103 -2.189 -25.255 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.236 -1.058 -25.035 1.00 0.00 H new ATOM 802 N TRP A 54 5.844 -3.309 -19.477 1.00 0.00 N ATOM 803 CA TRP A 54 6.903 -4.325 -19.347 1.00 0.00 C ATOM 804 C TRP A 54 7.084 -5.029 -20.710 1.00 0.00 C ATOM 805 O TRP A 54 8.207 -5.313 -21.144 1.00 0.00 O ATOM 806 CB TRP A 54 6.526 -5.352 -18.236 1.00 0.00 C ATOM 807 CG TRP A 54 7.652 -6.306 -17.842 1.00 0.00 C ATOM 808 CD1 TRP A 54 8.589 -6.110 -16.864 1.00 0.00 C ATOM 809 CD2 TRP A 54 7.953 -7.595 -18.417 1.00 0.00 C ATOM 810 NE1 TRP A 54 9.450 -7.178 -16.815 1.00 0.00 N ATOM 811 CE2 TRP A 54 9.079 -8.099 -17.749 1.00 0.00 C ATOM 812 CE3 TRP A 54 7.376 -8.370 -19.435 1.00 0.00 C ATOM 813 CZ2 TRP A 54 9.651 -9.331 -18.068 1.00 0.00 C ATOM 814 CZ3 TRP A 54 7.939 -9.595 -19.746 1.00 0.00 C ATOM 815 CH2 TRP A 54 9.068 -10.066 -19.061 1.00 0.00 C ATOM 0 H TRP A 54 5.056 -3.454 -18.846 1.00 0.00 H new ATOM 0 HA TRP A 54 7.842 -3.852 -19.060 1.00 0.00 H new ATOM 0 HB2 TRP A 54 6.204 -4.806 -17.349 1.00 0.00 H new ATOM 0 HB3 TRP A 54 5.673 -5.939 -18.577 1.00 0.00 H new ATOM 0 HD1 TRP A 54 8.643 -5.242 -16.224 1.00 0.00 H new ATOM 0 HE1 TRP A 54 10.243 -7.268 -16.180 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.506 -8.016 -19.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.526 -9.692 -17.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 7.502 -10.198 -20.528 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.484 -11.027 -19.323 1.00 0.00 H new ATOM 826 N SER A 55 5.936 -5.266 -21.379 1.00 0.00 N ATOM 827 CA SER A 55 5.873 -5.849 -22.721 1.00 0.00 C ATOM 828 C SER A 55 4.519 -5.499 -23.372 1.00 0.00 C ATOM 829 O SER A 55 3.502 -5.383 -22.673 1.00 0.00 O ATOM 830 CB SER A 55 6.065 -7.385 -22.642 1.00 0.00 C ATOM 831 OG SER A 55 6.095 -7.980 -23.930 1.00 0.00 O ATOM 0 H SER A 55 5.018 -5.052 -20.990 1.00 0.00 H new ATOM 0 HA SER A 55 6.674 -5.437 -23.335 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.994 -7.609 -22.117 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.255 -7.823 -22.058 1.00 0.00 H new ATOM 0 HG SER A 55 6.219 -8.948 -23.840 1.00 0.00 H new ATOM 837 N GLY A 56 4.524 -5.308 -24.707 1.00 0.00 N ATOM 838 CA GLY A 56 3.291 -5.096 -25.479 1.00 0.00 C ATOM 839 C GLY A 56 2.780 -3.656 -25.457 1.00 0.00 C ATOM 840 O GLY A 56 1.563 -3.419 -25.535 1.00 0.00 O ATOM 0 H GLY A 56 5.374 -5.297 -25.271 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.467 -5.392 -26.513 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.513 -5.752 -25.088 1.00 0.00 H new ATOM 844 N GLY A 57 3.716 -2.697 -25.351 1.00 0.00 N ATOM 845 CA GLY A 57 3.394 -1.268 -25.371 1.00 0.00 C ATOM 846 C GLY A 57 4.633 -0.452 -25.720 1.00 0.00 C ATOM 847 O GLY A 57 5.239 -0.690 -26.765 1.00 0.00 O ATOM 0 H GLY A 57 4.712 -2.894 -25.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.606 -1.076 -26.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.010 -0.961 -24.398 1.00 0.00 H new ATOM 851 N SER A 58 4.989 0.511 -24.849 1.00 0.00 N ATOM 852 CA SER A 58 6.265 1.274 -24.912 1.00 0.00 C ATOM 853 C SER A 58 6.398 2.185 -26.151 1.00 0.00 C ATOM 854 O SER A 58 7.454 2.785 -26.355 1.00 0.00 O ATOM 855 CB SER A 58 7.463 0.306 -24.766 1.00 0.00 C ATOM 856 OG SER A 58 7.332 -0.459 -23.567 1.00 0.00 O ATOM 0 H SER A 58 4.395 0.790 -24.068 1.00 0.00 H new ATOM 0 HA SER A 58 6.261 1.967 -24.070 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.510 -0.359 -25.628 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.396 0.870 -24.747 1.00 0.00 H new ATOM 0 HG SER A 58 8.094 -1.070 -23.484 1.00 0.00 H new ATOM 862 N THR A 59 5.304 2.339 -26.925 1.00 0.00 N ATOM 863 CA THR A 59 5.294 3.109 -28.196 1.00 0.00 C ATOM 864 C THR A 59 3.848 3.534 -28.551 1.00 0.00 C ATOM 865 O THR A 59 2.972 2.676 -28.678 1.00 0.00 O ATOM 866 CB THR A 59 5.902 2.290 -29.412 1.00 0.00 C ATOM 867 OG1 THR A 59 5.469 0.917 -29.343 1.00 0.00 O ATOM 868 CG2 THR A 59 7.445 2.343 -29.491 1.00 0.00 C ATOM 0 H THR A 59 4.398 1.934 -26.690 1.00 0.00 H new ATOM 0 HA THR A 59 5.922 3.985 -28.034 1.00 0.00 H new ATOM 0 HB THR A 59 5.528 2.768 -30.318 1.00 0.00 H new ATOM 0 HG1 THR A 59 5.846 0.417 -30.097 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.786 1.760 -30.347 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.768 3.378 -29.605 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.871 1.928 -28.577 1.00 0.00 H new ATOM 876 N TYR A 60 3.632 4.856 -28.704 1.00 0.00 N ATOM 877 CA TYR A 60 2.395 5.468 -29.262 1.00 0.00 C ATOM 878 C TYR A 60 2.737 6.903 -29.713 1.00 0.00 C ATOM 879 O TYR A 60 3.042 7.759 -28.870 1.00 0.00 O ATOM 880 CB TYR A 60 1.205 5.525 -28.247 1.00 0.00 C ATOM 881 CG TYR A 60 0.442 4.210 -28.012 1.00 0.00 C ATOM 882 CD1 TYR A 60 -0.444 3.718 -28.974 1.00 0.00 C ATOM 883 CD2 TYR A 60 0.598 3.471 -26.832 1.00 0.00 C ATOM 884 CE1 TYR A 60 -1.138 2.546 -28.768 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.098 2.295 -26.629 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.963 1.842 -27.599 1.00 0.00 C ATOM 887 OH TYR A 60 -1.658 0.675 -27.401 1.00 0.00 O ATOM 0 H TYR A 60 4.328 5.552 -28.437 1.00 0.00 H new ATOM 0 HA TYR A 60 2.064 4.840 -30.089 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.590 5.872 -27.288 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.494 6.275 -28.595 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.587 4.265 -29.894 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.274 3.827 -26.068 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.818 2.180 -29.523 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.036 1.735 -25.715 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.422 0.298 -26.528 1.00 0.00 H new ATOM 897 N TYR A 61 2.715 7.135 -31.043 1.00 0.00 N ATOM 898 CA TYR A 61 2.946 8.459 -31.653 1.00 0.00 C ATOM 899 C TYR A 61 2.526 8.448 -33.140 1.00 0.00 C ATOM 900 O TYR A 61 2.817 7.493 -33.871 1.00 0.00 O ATOM 901 CB TYR A 61 4.431 8.927 -31.484 1.00 0.00 C ATOM 902 CG TYR A 61 5.490 7.904 -31.925 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.968 6.931 -31.039 1.00 0.00 C ATOM 904 CD2 TYR A 61 6.006 7.902 -33.225 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.910 6.006 -31.430 1.00 0.00 C ATOM 906 CE2 TYR A 61 6.951 6.975 -33.617 1.00 0.00 C ATOM 907 CZ TYR A 61 7.398 6.031 -32.717 1.00 0.00 C ATOM 908 OH TYR A 61 8.333 5.104 -33.106 1.00 0.00 O ATOM 0 H TYR A 61 2.535 6.401 -31.728 1.00 0.00 H new ATOM 0 HA TYR A 61 2.324 9.183 -31.126 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.574 9.844 -32.055 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.601 9.174 -30.436 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.590 6.905 -30.028 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.659 8.639 -33.935 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.265 5.264 -30.730 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.339 6.989 -34.625 1.00 0.00 H new ATOM 0 HH TYR A 61 8.574 5.256 -34.044 1.00 0.00 H new ATOM 918 N ALA A 62 1.822 9.519 -33.555 1.00 0.00 N ATOM 919 CA ALA A 62 1.447 9.769 -34.962 1.00 0.00 C ATOM 920 C ALA A 62 2.606 10.468 -35.711 1.00 0.00 C ATOM 921 O ALA A 62 3.549 10.940 -35.073 1.00 0.00 O ATOM 922 CB ALA A 62 0.158 10.616 -35.017 1.00 0.00 C ATOM 0 H ALA A 62 1.494 10.243 -32.916 1.00 0.00 H new ATOM 0 HA ALA A 62 1.255 8.817 -35.457 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.114 10.797 -36.057 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.650 10.081 -34.518 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.327 11.568 -34.515 1.00 0.00 H new ATOM 928 N ASP A 63 2.521 10.545 -37.061 1.00 0.00 N ATOM 929 CA ASP A 63 3.577 11.158 -37.918 1.00 0.00 C ATOM 930 C ASP A 63 3.868 12.625 -37.531 1.00 0.00 C ATOM 931 O ASP A 63 5.016 13.082 -37.622 1.00 0.00 O ATOM 932 CB ASP A 63 3.166 11.103 -39.410 1.00 0.00 C ATOM 933 CG ASP A 63 3.055 9.673 -39.967 1.00 0.00 C ATOM 934 OD1 ASP A 63 4.088 9.102 -40.393 1.00 0.00 O ATOM 935 OD2 ASP A 63 1.942 9.103 -39.964 1.00 0.00 O ATOM 0 H ASP A 63 1.725 10.187 -37.589 1.00 0.00 H new ATOM 0 HA ASP A 63 4.485 10.576 -37.758 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.207 11.607 -39.533 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.896 11.658 -40.000 1.00 0.00 H new ATOM 940 N SER A 64 2.818 13.341 -37.091 1.00 0.00 N ATOM 941 CA SER A 64 2.914 14.761 -36.690 1.00 0.00 C ATOM 942 C SER A 64 3.791 14.957 -35.430 1.00 0.00 C ATOM 943 O SER A 64 4.446 15.997 -35.276 1.00 0.00 O ATOM 944 CB SER A 64 1.493 15.331 -36.454 1.00 0.00 C ATOM 945 OG SER A 64 0.705 15.191 -37.622 1.00 0.00 O ATOM 0 H SER A 64 1.878 12.954 -37.002 1.00 0.00 H new ATOM 0 HA SER A 64 3.399 15.304 -37.501 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.018 14.809 -35.623 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.558 16.383 -36.175 1.00 0.00 H new ATOM 0 HG SER A 64 -0.191 15.554 -37.458 1.00 0.00 H new ATOM 951 N VAL A 65 3.796 13.943 -34.538 1.00 0.00 N ATOM 952 CA VAL A 65 4.591 13.952 -33.288 1.00 0.00 C ATOM 953 C VAL A 65 5.691 12.861 -33.320 1.00 0.00 C ATOM 954 O VAL A 65 6.297 12.546 -32.289 1.00 0.00 O ATOM 955 CB VAL A 65 3.663 13.787 -32.021 1.00 0.00 C ATOM 956 CG1 VAL A 65 2.685 14.985 -31.883 1.00 0.00 C ATOM 957 CG2 VAL A 65 2.891 12.443 -32.051 1.00 0.00 C ATOM 0 H VAL A 65 3.248 13.092 -34.664 1.00 0.00 H new ATOM 0 HA VAL A 65 5.084 14.921 -33.214 1.00 0.00 H new ATOM 0 HB VAL A 65 4.310 13.776 -31.144 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.059 14.844 -31.002 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.254 15.909 -31.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.055 15.044 -32.770 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.263 12.364 -31.164 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.266 12.402 -32.943 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.601 11.616 -32.067 1.00 0.00 H new ATOM 967 N LYS A 66 5.948 12.310 -34.522 1.00 0.00 N ATOM 968 CA LYS A 66 6.986 11.276 -34.744 1.00 0.00 C ATOM 969 C LYS A 66 8.375 11.931 -34.788 1.00 0.00 C ATOM 970 O LYS A 66 8.602 12.863 -35.567 1.00 0.00 O ATOM 971 CB LYS A 66 6.710 10.518 -36.069 1.00 0.00 C ATOM 972 CG LYS A 66 7.723 9.399 -36.403 1.00 0.00 C ATOM 973 CD LYS A 66 7.370 8.649 -37.707 1.00 0.00 C ATOM 974 CE LYS A 66 6.026 7.898 -37.632 1.00 0.00 C ATOM 975 NZ LYS A 66 5.722 7.192 -38.902 1.00 0.00 N ATOM 0 H LYS A 66 5.443 12.567 -35.370 1.00 0.00 H new ATOM 0 HA LYS A 66 6.957 10.562 -33.921 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.712 10.082 -36.020 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.703 11.238 -36.888 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.719 9.831 -36.495 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.759 8.688 -35.578 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.334 9.362 -38.530 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.164 7.938 -37.935 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.056 7.179 -36.814 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.226 8.604 -37.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.214 6.308 -38.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.130 7.799 -39.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.609 6.973 -39.398 1.00 0.00 H new ATOM 989 N GLY A 67 9.288 11.455 -33.919 1.00 0.00 N ATOM 990 CA GLY A 67 10.621 12.057 -33.756 1.00 0.00 C ATOM 991 C GLY A 67 10.625 13.179 -32.714 1.00 0.00 C ATOM 992 O GLY A 67 11.654 13.447 -32.072 1.00 0.00 O ATOM 0 H GLY A 67 9.122 10.649 -33.316 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.332 11.286 -33.460 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.959 12.452 -34.714 1.00 0.00 H new ATOM 996 N ARG A 68 9.457 13.837 -32.568 1.00 0.00 N ATOM 997 CA ARG A 68 9.206 14.841 -31.538 1.00 0.00 C ATOM 998 C ARG A 68 8.996 14.138 -30.188 1.00 0.00 C ATOM 999 O ARG A 68 9.919 14.039 -29.381 1.00 0.00 O ATOM 1000 CB ARG A 68 7.961 15.698 -31.921 1.00 0.00 C ATOM 1001 CG ARG A 68 8.149 16.618 -33.137 1.00 0.00 C ATOM 1002 CD ARG A 68 6.843 17.336 -33.524 1.00 0.00 C ATOM 1003 NE ARG A 68 6.218 18.036 -32.383 1.00 0.00 N ATOM 1004 CZ ARG A 68 4.943 18.458 -32.346 1.00 0.00 C ATOM 1005 NH1 ARG A 68 4.117 18.240 -33.368 1.00 0.00 N ATOM 1006 NH2 ARG A 68 4.496 19.093 -31.274 1.00 0.00 N ATOM 0 H ARG A 68 8.655 13.676 -33.177 1.00 0.00 H new ATOM 0 HA ARG A 68 10.063 15.510 -31.457 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.125 15.027 -32.119 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.683 16.309 -31.063 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.918 17.358 -32.916 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.505 16.031 -33.984 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.049 18.055 -34.317 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.139 16.609 -33.928 1.00 0.00 H new ATOM 0 HE ARG A 68 6.798 18.212 -31.562 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.449 17.746 -34.196 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.152 18.567 -33.323 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.118 19.259 -30.483 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.529 19.416 -31.239 1.00 0.00 H new ATOM 1020 N PHE A 69 7.789 13.583 -30.005 1.00 0.00 N ATOM 1021 CA PHE A 69 7.377 12.930 -28.761 1.00 0.00 C ATOM 1022 C PHE A 69 7.870 11.480 -28.774 1.00 0.00 C ATOM 1023 O PHE A 69 7.531 10.700 -29.671 1.00 0.00 O ATOM 1024 CB PHE A 69 5.829 13.002 -28.621 1.00 0.00 C ATOM 1025 CG PHE A 69 5.292 14.401 -28.291 1.00 0.00 C ATOM 1026 CD1 PHE A 69 4.673 14.669 -27.068 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.430 15.457 -29.194 1.00 0.00 C ATOM 1028 CE1 PHE A 69 4.217 15.941 -26.770 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.969 16.722 -28.893 1.00 0.00 C ATOM 1030 CZ PHE A 69 4.366 16.964 -27.678 1.00 0.00 C ATOM 0 H PHE A 69 7.067 13.577 -30.725 1.00 0.00 H new ATOM 0 HA PHE A 69 7.815 13.438 -27.902 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.375 12.661 -29.551 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.513 12.310 -27.840 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.549 13.875 -26.347 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.907 15.280 -30.147 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.741 16.132 -25.819 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.081 17.522 -29.610 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.011 17.955 -27.439 1.00 0.00 H new ATOM 1040 N THR A 70 8.701 11.156 -27.782 1.00 0.00 N ATOM 1041 CA THR A 70 9.344 9.853 -27.630 1.00 0.00 C ATOM 1042 C THR A 70 9.288 9.459 -26.151 1.00 0.00 C ATOM 1043 O THR A 70 9.603 10.270 -25.275 1.00 0.00 O ATOM 1044 CB THR A 70 10.831 9.902 -28.119 1.00 0.00 C ATOM 1045 OG1 THR A 70 10.883 10.417 -29.462 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.495 8.512 -28.079 1.00 0.00 C ATOM 0 H THR A 70 8.951 11.812 -27.042 1.00 0.00 H new ATOM 0 HA THR A 70 8.820 9.116 -28.238 1.00 0.00 H new ATOM 0 HB THR A 70 11.380 10.557 -27.442 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.815 10.448 -29.765 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.525 8.591 -28.426 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.484 8.133 -27.057 1.00 0.00 H new ATOM 0 HG23 THR A 70 10.946 7.828 -28.726 1.00 0.00 H new ATOM 1054 N ILE A 71 8.885 8.214 -25.888 1.00 0.00 N ATOM 1055 CA ILE A 71 8.678 7.696 -24.533 1.00 0.00 C ATOM 1056 C ILE A 71 9.720 6.618 -24.217 1.00 0.00 C ATOM 1057 O ILE A 71 10.086 5.810 -25.079 1.00 0.00 O ATOM 1058 CB ILE A 71 7.216 7.147 -24.305 1.00 0.00 C ATOM 1059 CG1 ILE A 71 6.789 6.021 -25.322 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.190 8.297 -24.298 1.00 0.00 C ATOM 1061 CD1 ILE A 71 6.406 6.481 -26.729 1.00 0.00 C ATOM 0 H ILE A 71 8.691 7.529 -26.618 1.00 0.00 H new ATOM 0 HA ILE A 71 8.804 8.532 -23.845 1.00 0.00 H new ATOM 0 HB ILE A 71 7.229 6.673 -23.324 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.610 5.310 -25.408 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.943 5.481 -24.897 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.191 7.892 -24.139 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.431 8.994 -23.496 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.222 8.819 -25.254 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.132 5.616 -27.333 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.559 7.165 -26.670 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.253 6.991 -27.188 1.00 0.00 H new ATOM 1073 N SER A 72 10.216 6.648 -22.976 1.00 0.00 N ATOM 1074 CA SER A 72 11.272 5.754 -22.479 1.00 0.00 C ATOM 1075 C SER A 72 11.064 5.498 -20.979 1.00 0.00 C ATOM 1076 O SER A 72 10.168 6.079 -20.360 1.00 0.00 O ATOM 1077 CB SER A 72 12.670 6.393 -22.729 1.00 0.00 C ATOM 1078 OG SER A 72 12.884 6.666 -24.110 1.00 0.00 O ATOM 0 H SER A 72 9.888 7.309 -22.271 1.00 0.00 H new ATOM 0 HA SER A 72 11.223 4.804 -23.012 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.755 7.317 -22.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.448 5.721 -22.366 1.00 0.00 H new ATOM 0 HG SER A 72 13.770 7.068 -24.231 1.00 0.00 H new ATOM 1084 N ARG A 73 11.891 4.615 -20.411 1.00 0.00 N ATOM 1085 CA ARG A 73 11.950 4.372 -18.964 1.00 0.00 C ATOM 1086 C ARG A 73 13.363 3.897 -18.587 1.00 0.00 C ATOM 1087 O ARG A 73 14.063 3.274 -19.400 1.00 0.00 O ATOM 1088 CB ARG A 73 10.886 3.327 -18.508 1.00 0.00 C ATOM 1089 CG ARG A 73 11.045 1.946 -19.169 1.00 0.00 C ATOM 1090 CD ARG A 73 10.060 0.897 -18.630 1.00 0.00 C ATOM 1091 NE ARG A 73 10.195 -0.388 -19.352 1.00 0.00 N ATOM 1092 CZ ARG A 73 10.433 -1.585 -18.788 1.00 0.00 C ATOM 1093 NH1 ARG A 73 10.566 -1.705 -17.468 1.00 0.00 N ATOM 1094 NH2 ARG A 73 10.555 -2.653 -19.555 1.00 0.00 N ATOM 0 H ARG A 73 12.544 4.043 -20.946 1.00 0.00 H new ATOM 0 HA ARG A 73 11.724 5.306 -18.450 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.946 3.210 -17.426 1.00 0.00 H new ATOM 0 HB3 ARG A 73 9.892 3.714 -18.732 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.904 2.048 -20.245 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.064 1.591 -19.013 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.239 0.740 -17.566 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.040 1.268 -18.730 1.00 0.00 H new ATOM 0 HE ARG A 73 10.099 -0.363 -20.367 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.487 -0.882 -16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.746 -2.620 -17.055 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.469 -2.566 -20.568 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.736 -3.565 -19.135 1.00 0.00 H new ATOM 1108 N ASP A 74 13.763 4.215 -17.360 1.00 0.00 N ATOM 1109 CA ASP A 74 15.051 3.827 -16.779 1.00 0.00 C ATOM 1110 C ASP A 74 14.785 3.180 -15.417 1.00 0.00 C ATOM 1111 O ASP A 74 14.551 3.872 -14.418 1.00 0.00 O ATOM 1112 CB ASP A 74 15.990 5.055 -16.651 1.00 0.00 C ATOM 1113 CG ASP A 74 16.529 5.564 -18.007 1.00 0.00 C ATOM 1114 OD1 ASP A 74 17.720 5.344 -18.317 1.00 0.00 O ATOM 1115 OD2 ASP A 74 15.761 6.173 -18.780 1.00 0.00 O ATOM 0 H ASP A 74 13.187 4.765 -16.722 1.00 0.00 H new ATOM 0 HA ASP A 74 15.556 3.112 -17.428 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.452 5.864 -16.156 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.832 4.793 -16.010 1.00 0.00 H new ATOM 1120 N ASN A 75 14.813 1.843 -15.404 1.00 0.00 N ATOM 1121 CA ASN A 75 14.505 1.022 -14.217 1.00 0.00 C ATOM 1122 C ASN A 75 15.612 1.148 -13.135 1.00 0.00 C ATOM 1123 O ASN A 75 15.411 0.725 -11.991 1.00 0.00 O ATOM 1124 CB ASN A 75 14.332 -0.460 -14.649 1.00 0.00 C ATOM 1125 CG ASN A 75 13.244 -0.674 -15.715 1.00 0.00 C ATOM 1126 OD1 ASN A 75 12.222 0.024 -15.746 1.00 0.00 O ATOM 1127 ND2 ASN A 75 13.460 -1.629 -16.608 1.00 0.00 N ATOM 0 H ASN A 75 15.053 1.289 -16.226 1.00 0.00 H new ATOM 0 HA ASN A 75 13.577 1.385 -13.775 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.282 -0.830 -15.034 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.090 -1.059 -13.771 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.776 -1.803 -17.344 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.311 -2.190 -16.559 1.00 0.00 H new ATOM 1134 N ALA A 76 16.777 1.726 -13.533 1.00 0.00 N ATOM 1135 CA ALA A 76 17.936 1.990 -12.646 1.00 0.00 C ATOM 1136 C ALA A 76 17.531 2.842 -11.424 1.00 0.00 C ATOM 1137 O ALA A 76 17.810 2.479 -10.278 1.00 0.00 O ATOM 1138 CB ALA A 76 19.059 2.679 -13.452 1.00 0.00 C ATOM 0 H ALA A 76 16.937 2.025 -14.495 1.00 0.00 H new ATOM 0 HA ALA A 76 18.304 1.037 -12.265 1.00 0.00 H new ATOM 0 HB1 ALA A 76 19.910 2.872 -12.799 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.370 2.030 -14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.691 3.622 -13.856 1.00 0.00 H new ATOM 1144 N LYS A 77 16.837 3.962 -11.700 1.00 0.00 N ATOM 1145 CA LYS A 77 16.326 4.883 -10.661 1.00 0.00 C ATOM 1146 C LYS A 77 14.784 4.909 -10.653 1.00 0.00 C ATOM 1147 O LYS A 77 14.183 5.722 -9.940 1.00 0.00 O ATOM 1148 CB LYS A 77 16.915 6.324 -10.832 1.00 0.00 C ATOM 1149 CG LYS A 77 16.739 6.996 -12.223 1.00 0.00 C ATOM 1150 CD LYS A 77 17.809 6.563 -13.260 1.00 0.00 C ATOM 1151 CE LYS A 77 17.713 7.358 -14.573 1.00 0.00 C ATOM 1152 NZ LYS A 77 17.957 8.811 -14.377 1.00 0.00 N ATOM 0 H LYS A 77 16.613 4.256 -12.651 1.00 0.00 H new ATOM 0 HA LYS A 77 16.660 4.506 -9.694 1.00 0.00 H new ATOM 0 HB2 LYS A 77 16.456 6.969 -10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.981 6.284 -10.607 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.750 6.755 -12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 77 16.779 8.079 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.802 6.696 -12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.694 5.500 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.437 6.964 -15.286 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.725 7.214 -15.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.106 9.345 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.180 8.994 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.756 9.112 -14.971 1.00 0.00 H new ATOM 1166 N ASN A 78 14.172 3.980 -11.428 1.00 0.00 N ATOM 1167 CA ASN A 78 12.704 3.819 -11.547 1.00 0.00 C ATOM 1168 C ASN A 78 12.026 5.147 -11.933 1.00 0.00 C ATOM 1169 O ASN A 78 11.275 5.741 -11.146 1.00 0.00 O ATOM 1170 CB ASN A 78 12.096 3.201 -10.255 1.00 0.00 C ATOM 1171 CG ASN A 78 12.596 1.780 -9.988 1.00 0.00 C ATOM 1172 OD1 ASN A 78 13.589 1.569 -9.291 1.00 0.00 O ATOM 1173 ND2 ASN A 78 11.914 0.789 -10.547 1.00 0.00 N ATOM 0 H ASN A 78 14.693 3.312 -11.996 1.00 0.00 H new ATOM 0 HA ASN A 78 12.508 3.116 -12.356 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.343 3.835 -9.403 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.009 3.190 -10.339 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.209 -0.177 -10.404 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.095 0.993 -11.120 1.00 0.00 H new ATOM 1180 N THR A 79 12.349 5.625 -13.144 1.00 0.00 N ATOM 1181 CA THR A 79 11.830 6.894 -13.669 1.00 0.00 C ATOM 1182 C THR A 79 11.464 6.730 -15.158 1.00 0.00 C ATOM 1183 O THR A 79 12.271 6.242 -15.947 1.00 0.00 O ATOM 1184 CB THR A 79 12.888 8.043 -13.479 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.277 8.134 -12.092 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.353 9.414 -13.939 1.00 0.00 C ATOM 0 H THR A 79 12.977 5.142 -13.786 1.00 0.00 H new ATOM 0 HA THR A 79 10.932 7.168 -13.114 1.00 0.00 H new ATOM 0 HB THR A 79 13.747 7.789 -14.100 1.00 0.00 H new ATOM 0 HG1 THR A 79 13.937 8.851 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.120 10.173 -13.787 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.093 9.367 -14.996 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.467 9.672 -13.359 1.00 0.00 H new ATOM 1194 N VAL A 80 10.252 7.166 -15.529 1.00 0.00 N ATOM 1195 CA VAL A 80 9.732 7.081 -16.909 1.00 0.00 C ATOM 1196 C VAL A 80 9.840 8.465 -17.559 1.00 0.00 C ATOM 1197 O VAL A 80 9.461 9.456 -16.952 1.00 0.00 O ATOM 1198 CB VAL A 80 8.238 6.586 -16.915 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.633 6.546 -18.345 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.119 5.205 -16.218 1.00 0.00 C ATOM 0 H VAL A 80 9.595 7.593 -14.876 1.00 0.00 H new ATOM 0 HA VAL A 80 10.321 6.359 -17.475 1.00 0.00 H new ATOM 0 HB VAL A 80 7.654 7.313 -16.350 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.601 6.198 -18.294 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.658 7.546 -18.779 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.215 5.866 -18.967 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.079 4.879 -16.232 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.735 4.477 -16.746 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.460 5.288 -15.186 1.00 0.00 H new ATOM 1210 N TYR A 81 10.385 8.523 -18.780 1.00 0.00 N ATOM 1211 CA TYR A 81 10.660 9.792 -19.480 1.00 0.00 C ATOM 1212 C TYR A 81 9.746 9.981 -20.703 1.00 0.00 C ATOM 1213 O TYR A 81 9.295 9.008 -21.316 1.00 0.00 O ATOM 1214 CB TYR A 81 12.149 9.843 -19.906 1.00 0.00 C ATOM 1215 CG TYR A 81 13.130 9.882 -18.724 1.00 0.00 C ATOM 1216 CD1 TYR A 81 13.645 8.713 -18.163 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.530 11.098 -18.160 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.517 8.755 -17.088 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.405 11.144 -17.091 1.00 0.00 C ATOM 1220 CZ TYR A 81 14.894 9.972 -16.559 1.00 0.00 C ATOM 1221 OH TYR A 81 15.757 10.015 -15.489 1.00 0.00 O ATOM 0 H TYR A 81 10.649 7.695 -19.314 1.00 0.00 H new ATOM 0 HA TYR A 81 10.451 10.609 -18.790 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.371 8.972 -20.522 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.309 10.723 -20.529 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.358 7.757 -18.575 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.147 12.021 -18.569 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.901 7.838 -16.665 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.704 12.095 -16.675 1.00 0.00 H new ATOM 0 HH TYR A 81 15.922 10.948 -15.239 1.00 0.00 H new ATOM 1231 N LEU A 82 9.464 11.257 -21.023 1.00 0.00 N ATOM 1232 CA LEU A 82 8.810 11.674 -22.276 1.00 0.00 C ATOM 1233 C LEU A 82 9.606 12.849 -22.861 1.00 0.00 C ATOM 1234 O LEU A 82 9.451 13.992 -22.437 1.00 0.00 O ATOM 1235 CB LEU A 82 7.322 12.065 -22.022 1.00 0.00 C ATOM 1236 CG LEU A 82 6.544 12.740 -23.207 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.510 11.861 -24.473 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.121 13.153 -22.768 1.00 0.00 C ATOM 0 H LEU A 82 9.688 12.039 -20.408 1.00 0.00 H new ATOM 0 HA LEU A 82 8.801 10.848 -22.988 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.781 11.164 -21.733 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.292 12.743 -21.169 1.00 0.00 H new ATOM 0 HG LEU A 82 7.095 13.642 -23.475 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.960 12.377 -25.260 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.529 11.668 -24.809 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.018 10.915 -24.246 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.602 13.618 -23.606 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.569 12.270 -22.445 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.186 13.862 -21.943 1.00 0.00 H new ATOM 1250 N GLN A 83 10.487 12.549 -23.822 1.00 0.00 N ATOM 1251 CA GLN A 83 11.273 13.566 -24.527 1.00 0.00 C ATOM 1252 C GLN A 83 10.407 14.189 -25.630 1.00 0.00 C ATOM 1253 O GLN A 83 10.062 13.518 -26.607 1.00 0.00 O ATOM 1254 CB GLN A 83 12.570 12.948 -25.117 1.00 0.00 C ATOM 1255 CG GLN A 83 13.473 13.934 -25.898 1.00 0.00 C ATOM 1256 CD GLN A 83 13.969 15.123 -25.061 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.022 15.051 -24.423 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.226 16.228 -25.074 1.00 0.00 N ATOM 0 H GLN A 83 10.675 11.596 -24.132 1.00 0.00 H new ATOM 0 HA GLN A 83 11.574 14.344 -23.826 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.151 12.516 -24.302 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.294 12.129 -25.781 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.335 13.392 -26.287 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.921 14.313 -26.758 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.360 16.254 -25.612 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.523 17.048 -24.546 1.00 0.00 H new ATOM 1267 N MET A 84 10.012 15.454 -25.431 1.00 0.00 N ATOM 1268 CA MET A 84 9.219 16.212 -26.407 1.00 0.00 C ATOM 1269 C MET A 84 10.152 17.156 -27.190 1.00 0.00 C ATOM 1270 O MET A 84 10.519 18.217 -26.700 1.00 0.00 O ATOM 1271 CB MET A 84 8.103 17.021 -25.694 1.00 0.00 C ATOM 1272 CG MET A 84 7.248 16.252 -24.685 1.00 0.00 C ATOM 1273 SD MET A 84 5.813 17.212 -24.122 1.00 0.00 S ATOM 1274 CE MET A 84 6.532 18.781 -23.604 1.00 0.00 C ATOM 0 H MET A 84 10.234 15.981 -24.587 1.00 0.00 H new ATOM 0 HA MET A 84 8.740 15.519 -27.099 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.566 17.862 -25.179 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.443 17.437 -26.455 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.905 15.322 -25.138 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.861 15.981 -23.825 1.00 0.00 H new ATOM 0 HE1 MET A 84 6.145 19.052 -22.622 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.617 18.685 -23.553 1.00 0.00 H new ATOM 0 HE3 MET A 84 6.270 19.557 -24.324 1.00 0.00 H new ATOM 1284 N ASN A 85 10.572 16.725 -28.377 1.00 0.00 N ATOM 1285 CA ASN A 85 11.446 17.512 -29.281 1.00 0.00 C ATOM 1286 C ASN A 85 10.603 18.342 -30.261 1.00 0.00 C ATOM 1287 O ASN A 85 9.410 18.066 -30.429 1.00 0.00 O ATOM 1288 CB ASN A 85 12.384 16.552 -30.060 1.00 0.00 C ATOM 1289 CG ASN A 85 13.371 15.809 -29.162 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.823 16.340 -28.147 1.00 0.00 O ATOM 1291 ND2 ASN A 85 13.710 14.579 -29.524 1.00 0.00 N ATOM 0 H ASN A 85 10.319 15.811 -28.754 1.00 0.00 H new ATOM 0 HA ASN A 85 12.047 18.198 -28.684 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.779 15.825 -30.602 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.940 17.123 -30.804 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.365 14.042 -28.955 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.316 14.170 -30.371 1.00 0.00 H new ATOM 1298 N SER A 86 11.251 19.361 -30.883 1.00 0.00 N ATOM 1299 CA SER A 86 10.677 20.217 -31.958 1.00 0.00 C ATOM 1300 C SER A 86 9.217 20.635 -31.647 1.00 0.00 C ATOM 1301 O SER A 86 8.269 20.230 -32.334 1.00 0.00 O ATOM 1302 CB SER A 86 10.810 19.510 -33.340 1.00 0.00 C ATOM 1303 OG SER A 86 10.453 20.369 -34.420 1.00 0.00 O ATOM 0 H SER A 86 12.210 19.617 -30.646 1.00 0.00 H new ATOM 0 HA SER A 86 11.251 21.142 -32.001 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.836 19.168 -33.474 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.174 18.625 -33.356 1.00 0.00 H new ATOM 0 HG SER A 86 10.552 19.887 -35.268 1.00 0.00 H new ATOM 1309 N LEU A 87 9.064 21.396 -30.567 1.00 0.00 N ATOM 1310 CA LEU A 87 7.758 21.693 -29.966 1.00 0.00 C ATOM 1311 C LEU A 87 7.034 22.843 -30.664 1.00 0.00 C ATOM 1312 O LEU A 87 7.650 23.741 -31.234 1.00 0.00 O ATOM 1313 CB LEU A 87 7.937 21.972 -28.450 1.00 0.00 C ATOM 1314 CG LEU A 87 8.161 20.697 -27.579 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.529 21.042 -26.123 1.00 0.00 C ATOM 1316 CD2 LEU A 87 6.913 19.786 -27.656 1.00 0.00 C ATOM 0 H LEU A 87 9.846 21.830 -30.077 1.00 0.00 H new ATOM 0 HA LEU A 87 7.122 20.818 -30.099 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.786 22.643 -28.315 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.055 22.497 -28.083 1.00 0.00 H new ATOM 0 HG LEU A 87 9.015 20.154 -27.983 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.675 20.122 -25.557 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.449 21.626 -26.109 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.724 21.622 -25.672 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.073 18.897 -27.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.043 20.328 -27.285 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.742 19.490 -28.691 1.00 0.00 H new ATOM 1328 N LYS A 88 5.703 22.767 -30.616 1.00 0.00 N ATOM 1329 CA LYS A 88 4.789 23.780 -31.141 1.00 0.00 C ATOM 1330 C LYS A 88 4.175 24.543 -29.941 1.00 0.00 C ATOM 1331 O LYS A 88 4.066 23.960 -28.858 1.00 0.00 O ATOM 1332 CB LYS A 88 3.683 23.077 -31.981 1.00 0.00 C ATOM 1333 CG LYS A 88 4.198 22.173 -33.131 1.00 0.00 C ATOM 1334 CD LYS A 88 5.005 22.941 -34.195 1.00 0.00 C ATOM 1335 CE LYS A 88 4.178 24.005 -34.932 1.00 0.00 C ATOM 1336 NZ LYS A 88 4.948 24.631 -36.033 1.00 0.00 N ATOM 0 H LYS A 88 5.217 21.974 -30.197 1.00 0.00 H new ATOM 0 HA LYS A 88 5.311 24.487 -31.785 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.071 22.472 -31.312 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.032 23.841 -32.405 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.822 21.384 -32.712 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.348 21.687 -33.610 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.859 23.421 -33.717 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.403 22.232 -34.921 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.273 23.549 -35.334 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.861 24.773 -34.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.358 25.344 -36.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.799 25.088 -35.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.229 23.901 -36.719 1.00 0.00 H new ATOM 1350 N PRO A 89 3.747 25.842 -30.101 1.00 0.00 N ATOM 1351 CA PRO A 89 3.165 26.641 -28.981 1.00 0.00 C ATOM 1352 C PRO A 89 1.866 26.013 -28.400 1.00 0.00 C ATOM 1353 O PRO A 89 1.463 26.315 -27.274 1.00 0.00 O ATOM 1354 CB PRO A 89 2.883 28.022 -29.638 1.00 0.00 C ATOM 1355 CG PRO A 89 2.789 27.734 -31.102 1.00 0.00 C ATOM 1356 CD PRO A 89 3.793 26.633 -31.357 1.00 0.00 C ATOM 0 HA PRO A 89 3.837 26.695 -28.125 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.959 28.459 -29.260 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.682 28.732 -29.425 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.782 27.420 -31.377 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.019 28.621 -31.693 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.520 26.031 -32.224 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.790 27.032 -31.547 1.00 0.00 H new ATOM 1364 N GLU A 90 1.248 25.120 -29.197 1.00 0.00 N ATOM 1365 CA GLU A 90 0.012 24.386 -28.839 1.00 0.00 C ATOM 1366 C GLU A 90 0.288 23.222 -27.844 1.00 0.00 C ATOM 1367 O GLU A 90 -0.648 22.527 -27.427 1.00 0.00 O ATOM 1368 CB GLU A 90 -0.639 23.854 -30.150 1.00 0.00 C ATOM 1369 CG GLU A 90 0.274 22.895 -30.946 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.190 22.638 -32.384 1.00 0.00 C ATOM 1371 OE1 GLU A 90 0.143 23.449 -33.276 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.881 21.627 -32.634 1.00 0.00 O ATOM 0 H GLU A 90 1.598 24.882 -30.125 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.669 25.068 -28.330 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -1.567 23.338 -29.902 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.904 24.700 -30.784 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.283 23.307 -30.969 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.331 21.943 -30.418 1.00 0.00 H new ATOM 1379 N ASP A 91 1.574 23.018 -27.465 1.00 0.00 N ATOM 1380 CA ASP A 91 1.968 22.033 -26.432 1.00 0.00 C ATOM 1381 C ASP A 91 2.127 22.726 -25.061 1.00 0.00 C ATOM 1382 O ASP A 91 2.959 22.338 -24.236 1.00 0.00 O ATOM 1383 CB ASP A 91 3.266 21.291 -26.857 1.00 0.00 C ATOM 1384 CG ASP A 91 3.091 20.485 -28.161 1.00 0.00 C ATOM 1385 OD1 ASP A 91 3.759 20.798 -29.171 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.259 19.544 -28.183 1.00 0.00 O ATOM 0 H ASP A 91 2.361 23.529 -27.865 1.00 0.00 H new ATOM 0 HA ASP A 91 1.180 21.286 -26.334 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.068 22.017 -26.988 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.573 20.618 -26.057 1.00 0.00 H new ATOM 1391 N THR A 92 1.328 23.776 -24.835 1.00 0.00 N ATOM 1392 CA THR A 92 1.095 24.342 -23.500 1.00 0.00 C ATOM 1393 C THR A 92 0.002 23.505 -22.803 1.00 0.00 C ATOM 1394 O THR A 92 -1.194 23.671 -23.082 1.00 0.00 O ATOM 1395 CB THR A 92 0.683 25.845 -23.601 1.00 0.00 C ATOM 1396 OG1 THR A 92 1.777 26.593 -24.161 1.00 0.00 O ATOM 1397 CG2 THR A 92 0.281 26.454 -22.240 1.00 0.00 C ATOM 0 H THR A 92 0.822 24.260 -25.577 1.00 0.00 H new ATOM 0 HA THR A 92 2.012 24.303 -22.912 1.00 0.00 H new ATOM 0 HB THR A 92 -0.197 25.900 -24.242 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.739 26.546 -25.139 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.005 27.500 -22.376 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.568 25.905 -21.832 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.121 26.387 -21.549 1.00 0.00 H new ATOM 1405 N ALA A 93 0.424 22.575 -21.933 1.00 0.00 N ATOM 1406 CA ALA A 93 -0.484 21.589 -21.322 1.00 0.00 C ATOM 1407 C ALA A 93 0.124 20.981 -20.049 1.00 0.00 C ATOM 1408 O ALA A 93 1.343 20.984 -19.864 1.00 0.00 O ATOM 1409 CB ALA A 93 -0.818 20.485 -22.350 1.00 0.00 C ATOM 0 H ALA A 93 1.395 22.484 -21.634 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.403 22.098 -21.032 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.490 19.756 -21.896 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.301 20.931 -23.219 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.101 19.987 -22.661 1.00 0.00 H new ATOM 1415 N VAL A 94 -0.750 20.478 -19.160 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.336 19.682 -18.005 1.00 0.00 C ATOM 1417 C VAL A 94 -0.134 18.216 -18.442 1.00 0.00 C ATOM 1418 O VAL A 94 -1.094 17.491 -18.725 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.353 19.815 -16.791 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.823 19.532 -17.194 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.914 18.941 -15.592 1.00 0.00 C ATOM 0 H VAL A 94 -1.759 20.614 -19.227 1.00 0.00 H new ATOM 0 HA VAL A 94 0.614 20.068 -17.634 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.322 20.859 -16.478 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.467 19.639 -16.321 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.133 20.241 -17.962 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.905 18.517 -17.583 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.630 19.054 -14.778 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.875 17.896 -15.899 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.073 19.257 -15.254 1.00 0.00 H new ATOM 1431 N TYR A 95 1.140 17.811 -18.554 1.00 0.00 N ATOM 1432 CA TYR A 95 1.531 16.435 -18.874 1.00 0.00 C ATOM 1433 C TYR A 95 1.627 15.631 -17.576 1.00 0.00 C ATOM 1434 O TYR A 95 2.349 16.010 -16.652 1.00 0.00 O ATOM 1435 CB TYR A 95 2.876 16.416 -19.660 1.00 0.00 C ATOM 1436 CG TYR A 95 2.729 16.825 -21.140 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.833 15.886 -22.175 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.446 18.141 -21.496 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.661 16.257 -23.500 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.281 18.512 -22.817 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.385 17.572 -23.812 1.00 0.00 C ATOM 1442 OH TYR A 95 2.200 17.943 -25.126 1.00 0.00 O ATOM 0 H TYR A 95 1.934 18.438 -18.423 1.00 0.00 H new ATOM 0 HA TYR A 95 0.778 15.977 -19.516 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.582 17.089 -19.173 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.304 15.415 -19.609 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.051 14.855 -21.937 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.353 18.889 -20.722 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.743 15.519 -24.285 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.070 19.541 -23.067 1.00 0.00 H new ATOM 0 HH TYR A 95 2.943 17.605 -25.669 1.00 0.00 H new ATOM 1452 N LEU A 96 0.855 14.540 -17.507 1.00 0.00 N ATOM 1453 CA LEU A 96 0.774 13.677 -16.327 1.00 0.00 C ATOM 1454 C LEU A 96 1.072 12.227 -16.717 1.00 0.00 C ATOM 1455 O LEU A 96 0.972 11.852 -17.889 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.617 13.846 -15.630 1.00 0.00 C ATOM 1457 CG LEU A 96 -1.911 13.505 -16.459 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.247 11.999 -16.422 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.127 14.351 -15.995 1.00 0.00 C ATOM 0 H LEU A 96 0.264 14.230 -18.278 1.00 0.00 H new ATOM 0 HA LEU A 96 1.530 13.972 -15.599 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.620 13.221 -14.737 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.699 14.880 -15.296 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.693 13.766 -17.495 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.147 11.813 -17.008 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.417 11.431 -16.841 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.415 11.689 -15.391 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.002 14.088 -16.590 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.330 14.150 -14.943 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.905 15.410 -16.126 1.00 0.00 H new ATOM 1471 N CYS A 97 1.465 11.429 -15.728 1.00 0.00 N ATOM 1472 CA CYS A 97 1.741 10.003 -15.883 1.00 0.00 C ATOM 1473 C CYS A 97 0.652 9.193 -15.174 1.00 0.00 C ATOM 1474 O CYS A 97 -0.053 9.706 -14.291 1.00 0.00 O ATOM 1475 CB CYS A 97 3.135 9.657 -15.326 1.00 0.00 C ATOM 1476 SG CYS A 97 3.632 7.935 -15.577 1.00 0.00 S ATOM 0 H CYS A 97 1.604 11.763 -14.774 1.00 0.00 H new ATOM 0 HA CYS A 97 1.736 9.749 -16.943 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.873 10.308 -15.796 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.151 9.875 -14.258 1.00 0.00 H new ATOM 0 HG CYS A 97 3.066 7.472 -16.652 1.00 0.00 H new ATOM 1482 N ALA A 98 0.514 7.928 -15.571 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.521 7.030 -15.062 1.00 0.00 C ATOM 1484 C ALA A 98 0.050 5.627 -14.895 1.00 0.00 C ATOM 1485 O ALA A 98 0.787 5.172 -15.755 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.704 7.020 -16.020 1.00 0.00 C ATOM 0 H ALA A 98 1.125 7.494 -16.263 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.864 7.381 -14.089 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.475 6.350 -15.639 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.110 8.028 -16.107 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.375 6.675 -17.000 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.301 4.941 -13.797 1.00 0.00 N ATOM 1493 CA ALA A 99 0.204 3.591 -13.493 1.00 0.00 C ATOM 1494 C ALA A 99 -0.948 2.573 -13.541 1.00 0.00 C ATOM 1495 O ALA A 99 -1.972 2.748 -12.864 1.00 0.00 O ATOM 1496 CB ALA A 99 0.903 3.565 -12.122 1.00 0.00 C ATOM 0 H ALA A 99 -0.943 5.306 -13.094 1.00 0.00 H new ATOM 0 HA ALA A 99 0.941 3.316 -14.248 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.268 2.558 -11.919 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.742 4.261 -12.128 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.195 3.858 -11.347 1.00 0.00 H new ATOM 1502 N GLY A 100 -0.771 1.536 -14.364 1.00 0.00 N ATOM 1503 CA GLY A 100 -1.715 0.430 -14.493 1.00 0.00 C ATOM 1504 C GLY A 100 -1.008 -0.909 -14.477 1.00 0.00 C ATOM 1505 O GLY A 100 0.217 -0.978 -14.251 1.00 0.00 O ATOM 0 H GLY A 100 0.046 1.443 -14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.438 0.471 -13.678 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.276 0.535 -15.422 1.00 0.00 H new ATOM 1509 N VAL A 101 -1.770 -1.973 -14.741 1.00 0.00 N ATOM 1510 CA VAL A 101 -1.286 -3.366 -14.698 1.00 0.00 C ATOM 1511 C VAL A 101 -2.027 -4.211 -15.745 1.00 0.00 C ATOM 1512 O VAL A 101 -3.128 -3.845 -16.189 1.00 0.00 O ATOM 1513 CB VAL A 101 -1.487 -4.035 -13.274 1.00 0.00 C ATOM 1514 CG1 VAL A 101 -0.533 -3.431 -12.214 1.00 0.00 C ATOM 1515 CG2 VAL A 101 -2.971 -3.953 -12.824 1.00 0.00 C ATOM 0 H VAL A 101 -2.755 -1.896 -14.995 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.218 -3.334 -14.911 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.227 -5.090 -13.367 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.703 -3.917 -11.253 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.500 -3.589 -12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.724 -2.362 -12.119 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.081 -4.419 -11.845 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -3.276 -2.908 -12.765 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.600 -4.474 -13.546 1.00 0.00 H new ATOM 1525 N TRP A 102 -1.410 -5.346 -16.124 1.00 0.00 N ATOM 1526 CA TRP A 102 -2.067 -6.390 -16.921 1.00 0.00 C ATOM 1527 C TRP A 102 -3.289 -6.902 -16.138 1.00 0.00 C ATOM 1528 O TRP A 102 -3.154 -7.638 -15.153 1.00 0.00 O ATOM 1529 CB TRP A 102 -1.077 -7.543 -17.234 1.00 0.00 C ATOM 1530 CG TRP A 102 -1.714 -8.732 -17.944 1.00 0.00 C ATOM 1531 CD1 TRP A 102 -2.112 -8.799 -19.251 1.00 0.00 C ATOM 1532 CD2 TRP A 102 -2.032 -10.012 -17.366 1.00 0.00 C ATOM 1533 NE1 TRP A 102 -2.651 -10.034 -19.514 1.00 0.00 N ATOM 1534 CE2 TRP A 102 -2.617 -10.792 -18.374 1.00 0.00 C ATOM 1535 CE3 TRP A 102 -1.881 -10.563 -16.087 1.00 0.00 C ATOM 1536 CZ2 TRP A 102 -3.051 -12.099 -18.151 1.00 0.00 C ATOM 1537 CZ3 TRP A 102 -2.309 -11.861 -15.863 1.00 0.00 C ATOM 1538 CH2 TRP A 102 -2.893 -12.615 -16.890 1.00 0.00 C ATOM 0 H TRP A 102 -0.442 -5.562 -15.885 1.00 0.00 H new ATOM 0 HA TRP A 102 -2.395 -5.980 -17.876 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -0.267 -7.155 -17.852 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -0.629 -7.887 -16.302 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -2.016 -7.999 -19.970 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -3.018 -10.339 -20.415 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -1.438 -9.985 -15.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.495 -12.684 -18.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.191 -12.299 -14.883 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.225 -13.622 -16.684 1.00 0.00 H new ATOM 1549 N ARG A 103 -4.464 -6.439 -16.556 1.00 0.00 N ATOM 1550 CA ARG A 103 -5.733 -6.669 -15.854 1.00 0.00 C ATOM 1551 C ARG A 103 -6.414 -7.951 -16.384 1.00 0.00 C ATOM 1552 O ARG A 103 -6.249 -8.306 -17.559 1.00 0.00 O ATOM 1553 CB ARG A 103 -6.619 -5.411 -16.037 1.00 0.00 C ATOM 1554 CG ARG A 103 -7.925 -5.375 -15.217 1.00 0.00 C ATOM 1555 CD ARG A 103 -8.683 -4.053 -15.403 1.00 0.00 C ATOM 1556 NE ARG A 103 -9.944 -3.993 -14.629 1.00 0.00 N ATOM 1557 CZ ARG A 103 -10.465 -2.879 -14.082 1.00 0.00 C ATOM 1558 NH1 ARG A 103 -9.794 -1.731 -14.091 1.00 0.00 N ATOM 1559 NH2 ARG A 103 -11.654 -2.929 -13.505 1.00 0.00 N ATOM 0 H ARG A 103 -4.568 -5.884 -17.405 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.565 -6.827 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -6.027 -4.534 -15.777 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -6.874 -5.322 -17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.565 -6.205 -15.517 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.694 -5.515 -14.161 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -8.039 -3.226 -15.102 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.906 -3.915 -16.461 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.458 -4.864 -14.500 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.869 -1.685 -14.517 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -10.205 -0.897 -13.672 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -12.170 -3.808 -13.476 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -12.055 -2.088 -13.089 1.00 0.00 H new ATOM 1573 N SER A 104 -7.176 -8.631 -15.504 1.00 0.00 N ATOM 1574 CA SER A 104 -7.841 -9.920 -15.812 1.00 0.00 C ATOM 1575 C SER A 104 -8.990 -9.762 -16.837 1.00 0.00 C ATOM 1576 O SER A 104 -9.459 -10.755 -17.405 1.00 0.00 O ATOM 1577 CB SER A 104 -8.371 -10.550 -14.505 1.00 0.00 C ATOM 1578 OG SER A 104 -7.331 -10.691 -13.552 1.00 0.00 O ATOM 0 H SER A 104 -7.350 -8.303 -14.554 1.00 0.00 H new ATOM 0 HA SER A 104 -7.099 -10.576 -16.268 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.165 -9.928 -14.093 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.809 -11.525 -14.718 1.00 0.00 H new ATOM 0 HG SER A 104 -7.690 -11.090 -12.732 1.00 0.00 H new ATOM 1584 N SER A 105 -9.436 -8.513 -17.056 1.00 0.00 N ATOM 1585 CA SER A 105 -10.428 -8.173 -18.099 1.00 0.00 C ATOM 1586 C SER A 105 -9.825 -8.341 -19.511 1.00 0.00 C ATOM 1587 O SER A 105 -10.549 -8.582 -20.492 1.00 0.00 O ATOM 1588 CB SER A 105 -10.888 -6.715 -17.897 1.00 0.00 C ATOM 1589 OG SER A 105 -9.792 -5.816 -18.025 1.00 0.00 O ATOM 0 H SER A 105 -9.120 -7.707 -16.516 1.00 0.00 H new ATOM 0 HA SER A 105 -11.278 -8.849 -18.012 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.655 -6.466 -18.630 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.341 -6.605 -16.912 1.00 0.00 H new ATOM 0 HG SER A 105 -10.126 -4.895 -18.055 1.00 0.00 H new ATOM 1595 N GLY A 106 -8.489 -8.224 -19.586 1.00 0.00 N ATOM 1596 CA GLY A 106 -7.752 -8.294 -20.850 1.00 0.00 C ATOM 1597 C GLY A 106 -7.212 -6.930 -21.249 1.00 0.00 C ATOM 1598 O GLY A 106 -6.207 -6.830 -21.957 1.00 0.00 O ATOM 0 H GLY A 106 -7.894 -8.078 -18.771 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -6.927 -9.000 -20.754 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.407 -8.673 -21.635 1.00 0.00 H new ATOM 1602 N TRP A 107 -7.900 -5.873 -20.792 1.00 0.00 N ATOM 1603 CA TRP A 107 -7.527 -4.483 -21.071 1.00 0.00 C ATOM 1604 C TRP A 107 -6.673 -3.921 -19.935 1.00 0.00 C ATOM 1605 O TRP A 107 -7.135 -3.869 -18.792 1.00 0.00 O ATOM 1606 CB TRP A 107 -8.796 -3.610 -21.274 1.00 0.00 C ATOM 1607 CG TRP A 107 -9.624 -4.017 -22.472 1.00 0.00 C ATOM 1608 CD1 TRP A 107 -10.805 -4.703 -22.469 1.00 0.00 C ATOM 1609 CD2 TRP A 107 -9.312 -3.768 -23.852 1.00 0.00 C ATOM 1610 NE1 TRP A 107 -11.251 -4.873 -23.752 1.00 0.00 N ATOM 1611 CE2 TRP A 107 -10.352 -4.317 -24.619 1.00 0.00 C ATOM 1612 CE3 TRP A 107 -8.255 -3.125 -24.511 1.00 0.00 C ATOM 1613 CZ2 TRP A 107 -10.372 -4.246 -26.007 1.00 0.00 C ATOM 1614 CZ3 TRP A 107 -8.272 -3.058 -25.890 1.00 0.00 C ATOM 1615 CH2 TRP A 107 -9.326 -3.616 -26.627 1.00 0.00 C ATOM 0 H TRP A 107 -8.736 -5.962 -20.215 1.00 0.00 H new ATOM 0 HA TRP A 107 -6.941 -4.462 -21.990 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -9.414 -3.669 -20.378 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -8.496 -2.568 -21.387 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -11.312 -5.059 -21.585 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -12.117 -5.341 -24.019 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -7.441 -2.690 -23.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -11.184 -4.673 -26.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -7.461 -2.568 -26.409 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -9.313 -3.548 -27.705 1.00 0.00 H new ATOM 1626 N ASP A 108 -5.426 -3.526 -20.258 1.00 0.00 N ATOM 1627 CA ASP A 108 -4.568 -2.758 -19.337 1.00 0.00 C ATOM 1628 C ASP A 108 -5.210 -1.387 -19.079 1.00 0.00 C ATOM 1629 O ASP A 108 -5.450 -0.618 -20.023 1.00 0.00 O ATOM 1630 CB ASP A 108 -3.127 -2.593 -19.908 1.00 0.00 C ATOM 1631 CG ASP A 108 -2.265 -1.563 -19.131 1.00 0.00 C ATOM 1632 OD1 ASP A 108 -1.752 -0.603 -19.756 1.00 0.00 O ATOM 1633 OD2 ASP A 108 -2.111 -1.703 -17.901 1.00 0.00 O ATOM 0 H ASP A 108 -4.989 -3.729 -21.157 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.482 -3.304 -18.397 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.625 -3.561 -19.891 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.192 -2.286 -20.952 1.00 0.00 H new ATOM 1638 N THR A 109 -5.510 -1.108 -17.807 1.00 0.00 N ATOM 1639 CA THR A 109 -6.189 0.122 -17.391 1.00 0.00 C ATOM 1640 C THR A 109 -5.331 0.859 -16.343 1.00 0.00 C ATOM 1641 O THR A 109 -4.941 0.247 -15.340 1.00 0.00 O ATOM 1642 CB THR A 109 -7.604 -0.197 -16.798 1.00 0.00 C ATOM 1643 OG1 THR A 109 -7.488 -1.156 -15.733 1.00 0.00 O ATOM 1644 CG2 THR A 109 -8.581 -0.728 -17.864 1.00 0.00 C ATOM 0 H THR A 109 -5.287 -1.733 -17.033 1.00 0.00 H new ATOM 0 HA THR A 109 -6.321 0.760 -18.265 1.00 0.00 H new ATOM 0 HB THR A 109 -8.009 0.740 -16.416 1.00 0.00 H new ATOM 0 HG1 THR A 109 -7.324 -0.688 -14.888 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.547 -0.934 -17.402 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.705 0.019 -18.648 1.00 0.00 H new ATOM 0 HG23 THR A 109 -8.183 -1.646 -18.297 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.005 2.170 -16.563 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.316 2.987 -15.549 1.00 0.00 C ATOM 1654 C PRO A 110 -5.275 3.384 -14.400 1.00 0.00 C ATOM 1655 O PRO A 110 -6.042 4.334 -14.513 1.00 0.00 O ATOM 1656 CB PRO A 110 -3.809 4.203 -16.361 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.797 4.350 -17.479 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.240 2.940 -17.821 1.00 0.00 C ATOM 0 HA PRO A 110 -3.503 2.465 -15.045 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -3.770 5.102 -15.746 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -2.802 4.033 -16.742 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.645 4.964 -17.175 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.343 4.838 -18.341 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.289 2.912 -18.116 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.665 2.532 -18.652 1.00 0.00 H new ATOM 1666 N ASP A 111 -5.249 2.600 -13.310 1.00 0.00 N ATOM 1667 CA ASP A 111 -6.089 2.842 -12.108 1.00 0.00 C ATOM 1668 C ASP A 111 -5.434 3.854 -11.165 1.00 0.00 C ATOM 1669 O ASP A 111 -6.020 4.233 -10.144 1.00 0.00 O ATOM 1670 CB ASP A 111 -6.414 1.506 -11.385 1.00 0.00 C ATOM 1671 CG ASP A 111 -7.504 0.710 -12.125 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -7.189 0.023 -13.115 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -8.694 0.799 -11.742 1.00 0.00 O ATOM 0 H ASP A 111 -4.648 1.779 -13.229 1.00 0.00 H new ATOM 0 HA ASP A 111 -7.033 3.277 -12.436 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -5.509 0.903 -11.311 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -6.743 1.714 -10.367 1.00 0.00 H new ATOM 1678 N TYR A 112 -4.205 4.264 -11.497 1.00 0.00 N ATOM 1679 CA TYR A 112 -3.483 5.320 -10.787 1.00 0.00 C ATOM 1680 C TYR A 112 -3.098 6.427 -11.775 1.00 0.00 C ATOM 1681 O TYR A 112 -2.795 6.152 -12.939 1.00 0.00 O ATOM 1682 CB TYR A 112 -2.221 4.740 -10.099 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.535 3.619 -9.094 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -3.001 3.918 -7.809 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.380 2.268 -9.428 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -3.299 2.920 -6.903 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.676 1.266 -8.519 1.00 0.00 C ATOM 1688 CZ TYR A 112 -3.136 1.599 -7.261 1.00 0.00 C ATOM 1689 OH TYR A 112 -3.440 0.607 -6.351 1.00 0.00 O ATOM 0 H TYR A 112 -3.680 3.866 -12.275 1.00 0.00 H new ATOM 0 HA TYR A 112 -4.127 5.741 -10.015 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.545 4.355 -10.862 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.695 5.544 -9.583 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.130 4.951 -7.520 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -2.023 2.003 -10.412 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.659 3.174 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.548 0.229 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 112 -3.273 -0.270 -6.755 1.00 0.00 H new ATOM 1699 N TRP A 113 -3.176 7.673 -11.299 1.00 0.00 N ATOM 1700 CA TRP A 113 -2.665 8.871 -11.983 1.00 0.00 C ATOM 1701 C TRP A 113 -1.852 9.683 -10.967 1.00 0.00 C ATOM 1702 O TRP A 113 -2.138 9.636 -9.762 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.824 9.738 -12.568 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.504 9.148 -13.792 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.113 9.297 -15.091 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.699 8.348 -13.836 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -4.965 8.635 -15.931 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.952 8.050 -15.186 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -6.570 7.848 -12.864 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.041 7.285 -15.595 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.655 7.095 -13.269 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.881 6.814 -14.623 1.00 0.00 C ATOM 0 H TRP A 113 -3.609 7.885 -10.400 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.040 8.569 -12.823 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -4.573 9.890 -11.791 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -3.429 10.720 -12.827 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.249 9.860 -15.412 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -4.879 8.586 -16.946 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.398 8.047 -11.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.216 7.072 -16.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.342 6.715 -12.528 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.734 6.215 -14.905 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.846 10.424 -11.455 1.00 0.00 N ATOM 1724 CA GLY A 114 0.015 11.229 -10.587 1.00 0.00 C ATOM 1725 C GLY A 114 -0.572 12.607 -10.281 1.00 0.00 C ATOM 1726 O GLY A 114 -1.790 12.749 -10.096 1.00 0.00 O ATOM 0 H GLY A 114 -0.612 10.480 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 114 0.181 10.694 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.989 11.351 -11.062 1.00 0.00 H new ATOM 1730 N GLN A 115 0.302 13.621 -10.227 1.00 0.00 N ATOM 1731 CA GLN A 115 -0.067 15.010 -9.882 1.00 0.00 C ATOM 1732 C GLN A 115 -0.185 15.889 -11.145 1.00 0.00 C ATOM 1733 O GLN A 115 -0.960 16.856 -11.172 1.00 0.00 O ATOM 1734 CB GLN A 115 0.993 15.591 -8.900 1.00 0.00 C ATOM 1735 CG GLN A 115 2.437 15.641 -9.454 1.00 0.00 C ATOM 1736 CD GLN A 115 3.485 16.094 -8.430 1.00 0.00 C ATOM 1737 OE1 GLN A 115 4.714 15.618 -8.578 1.00 0.00 O flip ATOM 1738 NE2 GLN A 115 3.193 16.868 -7.515 1.00 0.00 N flip ATOM 0 H GLN A 115 1.296 13.504 -10.423 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.044 15.007 -9.400 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.692 16.600 -8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.990 14.992 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 115 2.708 14.651 -9.822 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.464 16.317 -10.309 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.239 17.217 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.906 17.159 -6.846 1.00 0.00 H new ATOM 1747 N GLY A 116 0.603 15.540 -12.173 1.00 0.00 N ATOM 1748 CA GLY A 116 0.717 16.334 -13.393 1.00 0.00 C ATOM 1749 C GLY A 116 1.776 17.420 -13.278 1.00 0.00 C ATOM 1750 O GLY A 116 2.186 17.777 -12.165 1.00 0.00 O ATOM 0 H GLY A 116 1.177 14.697 -12.176 1.00 0.00 H new ATOM 0 HA2 GLY A 116 0.961 15.679 -14.229 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.247 16.791 -13.618 1.00 0.00 H new ATOM 1754 N THR A 117 2.225 17.949 -14.427 1.00 0.00 N ATOM 1755 CA THR A 117 3.184 19.059 -14.469 1.00 0.00 C ATOM 1756 C THR A 117 2.867 19.989 -15.664 1.00 0.00 C ATOM 1757 O THR A 117 2.734 19.535 -16.810 1.00 0.00 O ATOM 1758 CB THR A 117 4.668 18.539 -14.505 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.578 19.637 -14.403 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.000 17.718 -15.761 1.00 0.00 C ATOM 0 H THR A 117 1.934 17.620 -15.348 1.00 0.00 H new ATOM 0 HA THR A 117 3.082 19.640 -13.552 1.00 0.00 H new ATOM 0 HB THR A 117 4.776 17.872 -13.650 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.327 19.388 -13.823 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.039 17.392 -15.718 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.348 16.846 -15.808 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.849 18.333 -16.648 1.00 0.00 H new ATOM 1768 N GLN A 118 2.704 21.290 -15.371 1.00 0.00 N ATOM 1769 CA GLN A 118 2.307 22.301 -16.360 1.00 0.00 C ATOM 1770 C GLN A 118 3.514 22.752 -17.178 1.00 0.00 C ATOM 1771 O GLN A 118 4.326 23.560 -16.706 1.00 0.00 O ATOM 1772 CB GLN A 118 1.665 23.523 -15.641 1.00 0.00 C ATOM 1773 CG GLN A 118 0.303 23.248 -14.958 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.935 23.362 -15.877 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.796 23.101 -17.182 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 -2.024 23.698 -15.409 1.00 0.00 N flip ATOM 0 H GLN A 118 2.845 21.670 -14.435 1.00 0.00 H new ATOM 0 HA GLN A 118 1.575 21.858 -17.036 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.363 23.889 -14.888 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.533 24.324 -16.369 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.326 22.246 -14.531 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.184 23.945 -14.129 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -2.112 23.893 -14.412 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.837 23.781 -16.019 1.00 0.00 H new ATOM 1785 N VAL A 119 3.647 22.212 -18.393 1.00 0.00 N ATOM 1786 CA VAL A 119 4.633 22.692 -19.368 1.00 0.00 C ATOM 1787 C VAL A 119 3.975 23.789 -20.217 1.00 0.00 C ATOM 1788 O VAL A 119 2.753 23.753 -20.454 1.00 0.00 O ATOM 1789 CB VAL A 119 5.197 21.534 -20.287 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.605 20.302 -19.443 1.00 0.00 C ATOM 1791 CG2 VAL A 119 4.224 21.140 -21.426 1.00 0.00 C ATOM 0 H VAL A 119 3.078 21.434 -18.728 1.00 0.00 H new ATOM 0 HA VAL A 119 5.491 23.089 -18.827 1.00 0.00 H new ATOM 0 HB VAL A 119 6.090 21.928 -20.771 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.989 19.522 -20.100 1.00 0.00 H new ATOM 0 HG12 VAL A 119 6.378 20.589 -18.730 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.736 19.926 -18.903 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.666 20.342 -22.022 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.283 20.795 -20.998 1.00 0.00 H new ATOM 0 HG23 VAL A 119 4.037 22.006 -22.061 1.00 0.00 H new ATOM 1801 N THR A 120 4.757 24.781 -20.636 1.00 0.00 N ATOM 1802 CA THR A 120 4.278 25.838 -21.530 1.00 0.00 C ATOM 1803 C THR A 120 5.302 26.058 -22.631 1.00 0.00 C ATOM 1804 O THR A 120 6.435 26.466 -22.357 1.00 0.00 O ATOM 1805 CB THR A 120 4.021 27.170 -20.747 1.00 0.00 C ATOM 1806 OG1 THR A 120 3.134 26.913 -19.645 1.00 0.00 O ATOM 1807 CG2 THR A 120 3.415 28.278 -21.638 1.00 0.00 C ATOM 0 H THR A 120 5.737 24.877 -20.368 1.00 0.00 H new ATOM 0 HA THR A 120 3.329 25.528 -21.967 1.00 0.00 H new ATOM 0 HB THR A 120 4.988 27.527 -20.392 1.00 0.00 H new ATOM 0 HG1 THR A 120 2.974 27.745 -19.153 1.00 0.00 H new ATOM 0 HG21 THR A 120 3.258 29.178 -21.043 1.00 0.00 H new ATOM 0 HG22 THR A 120 4.098 28.500 -22.458 1.00 0.00 H new ATOM 0 HG23 THR A 120 2.461 27.939 -22.042 1.00 0.00 H new ATOM 1815 N VAL A 121 4.933 25.737 -23.875 1.00 0.00 N ATOM 1816 CA VAL A 121 5.752 26.099 -25.025 1.00 0.00 C ATOM 1817 C VAL A 121 5.325 27.505 -25.480 1.00 0.00 C ATOM 1818 O VAL A 121 4.273 27.671 -26.106 1.00 0.00 O ATOM 1819 CB VAL A 121 5.638 25.065 -26.197 1.00 0.00 C ATOM 1820 CG1 VAL A 121 6.633 25.401 -27.343 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.842 23.626 -25.673 1.00 0.00 C ATOM 0 H VAL A 121 4.078 25.231 -24.106 1.00 0.00 H new ATOM 0 HA VAL A 121 6.802 26.092 -24.732 1.00 0.00 H new ATOM 0 HB VAL A 121 4.633 25.131 -26.613 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.530 24.666 -28.141 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.415 26.395 -27.734 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.652 25.378 -26.958 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.759 22.922 -26.501 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.830 23.540 -25.221 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.081 23.399 -24.927 1.00 0.00 H new ATOM 1831 N SER A 122 6.107 28.523 -25.060 1.00 0.00 N ATOM 1832 CA SER A 122 5.885 29.923 -25.457 1.00 0.00 C ATOM 1833 C SER A 122 5.985 30.113 -26.992 1.00 0.00 C ATOM 1834 O SER A 122 6.836 29.495 -27.644 1.00 0.00 O ATOM 1835 CB SER A 122 6.916 30.828 -24.759 1.00 0.00 C ATOM 1836 OG SER A 122 6.561 32.189 -24.880 1.00 0.00 O ATOM 0 H SER A 122 6.906 28.394 -24.439 1.00 0.00 H new ATOM 0 HA SER A 122 4.875 30.197 -25.152 1.00 0.00 H new ATOM 0 HB2 SER A 122 6.986 30.559 -23.705 1.00 0.00 H new ATOM 0 HB3 SER A 122 7.902 30.666 -25.195 1.00 0.00 H new ATOM 0 HG SER A 122 6.731 32.648 -24.031 1.00 0.00 H new ATOM 1842 N SER A 123 5.108 30.970 -27.551 1.00 0.00 N ATOM 1843 CA SER A 123 5.121 31.325 -28.979 1.00 0.00 C ATOM 1844 C SER A 123 6.184 32.417 -29.238 1.00 0.00 C ATOM 1845 O SER A 123 5.867 33.614 -29.320 1.00 0.00 O ATOM 1846 CB SER A 123 3.700 31.762 -29.428 1.00 0.00 C ATOM 1847 OG SER A 123 3.174 32.775 -28.580 1.00 0.00 O ATOM 0 H SER A 123 4.370 31.435 -27.022 1.00 0.00 H new ATOM 0 HA SER A 123 5.396 30.456 -29.577 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.738 32.128 -30.454 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.034 30.899 -29.422 1.00 0.00 H new ATOM 0 HG SER A 123 3.829 33.498 -28.488 1.00 0.00 H new ATOM 1853 N LEU A 124 7.471 31.977 -29.262 1.00 0.00 N ATOM 1854 CA LEU A 124 8.663 32.822 -29.554 1.00 0.00 C ATOM 1855 C LEU A 124 9.018 33.821 -28.418 1.00 0.00 C ATOM 1856 O LEU A 124 10.086 34.440 -28.472 1.00 0.00 O ATOM 1857 CB LEU A 124 8.552 33.559 -30.939 1.00 0.00 C ATOM 1858 CG LEU A 124 8.820 32.702 -32.221 1.00 0.00 C ATOM 1859 CD1 LEU A 124 10.226 32.074 -32.187 1.00 0.00 C ATOM 1860 CD2 LEU A 124 7.725 31.638 -32.445 1.00 0.00 C ATOM 0 H LEU A 124 7.715 31.004 -29.075 1.00 0.00 H new ATOM 0 HA LEU A 124 9.493 32.118 -29.614 1.00 0.00 H new ATOM 0 HB2 LEU A 124 7.551 33.984 -31.018 1.00 0.00 H new ATOM 0 HB3 LEU A 124 9.253 34.394 -30.936 1.00 0.00 H new ATOM 0 HG LEU A 124 8.781 33.377 -33.076 1.00 0.00 H new ATOM 0 HD11 LEU A 124 10.383 31.485 -33.090 1.00 0.00 H new ATOM 0 HD12 LEU A 124 10.976 32.863 -32.134 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.315 31.429 -31.313 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.951 31.067 -33.345 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.690 30.966 -31.588 1.00 0.00 H new ATOM 0 HD23 LEU A 124 6.759 32.129 -32.560 1.00 0.00 H new ATOM 1872 N GLU A 125 8.153 33.965 -27.396 1.00 0.00 N ATOM 1873 CA GLU A 125 8.410 34.856 -26.239 1.00 0.00 C ATOM 1874 C GLU A 125 9.444 34.179 -25.311 1.00 0.00 C ATOM 1875 O GLU A 125 9.392 32.962 -25.104 1.00 0.00 O ATOM 1876 CB GLU A 125 7.056 35.182 -25.513 1.00 0.00 C ATOM 1877 CG GLU A 125 7.119 36.095 -24.253 1.00 0.00 C ATOM 1878 CD GLU A 125 7.621 35.396 -22.964 1.00 0.00 C ATOM 1879 OE1 GLU A 125 7.105 34.318 -22.623 1.00 0.00 O ATOM 1880 OE2 GLU A 125 8.518 35.942 -22.282 1.00 0.00 O ATOM 0 H GLU A 125 7.261 33.473 -27.345 1.00 0.00 H new ATOM 0 HA GLU A 125 8.830 35.808 -26.563 1.00 0.00 H new ATOM 0 HB2 GLU A 125 6.391 35.653 -26.237 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.594 34.238 -25.222 1.00 0.00 H new ATOM 0 HG2 GLU A 125 7.772 36.941 -24.468 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.124 36.500 -24.065 1.00 0.00 H new ATOM 1887 N HIS A 126 10.378 34.975 -24.757 1.00 0.00 N ATOM 1888 CA HIS A 126 11.482 34.467 -23.921 1.00 0.00 C ATOM 1889 C HIS A 126 11.971 35.562 -22.946 1.00 0.00 C ATOM 1890 O HIS A 126 12.731 36.464 -23.318 1.00 0.00 O ATOM 1891 CB HIS A 126 12.641 33.914 -24.811 1.00 0.00 C ATOM 1892 CG HIS A 126 13.206 34.886 -25.822 1.00 0.00 C ATOM 1893 ND1 HIS A 126 12.789 35.221 -27.061 1.00 0.00 N flip ATOM 1894 CD2 HIS A 126 14.346 35.623 -25.598 1.00 0.00 C flip ATOM 1895 CE1 HIS A 126 13.676 36.142 -27.556 1.00 0.00 C flip ATOM 1896 NE2 HIS A 126 14.602 36.368 -26.653 1.00 0.00 N flip ATOM 0 H HIS A 126 10.388 35.988 -24.876 1.00 0.00 H new ATOM 0 HA HIS A 126 11.114 33.636 -23.320 1.00 0.00 H new ATOM 0 HB2 HIS A 126 13.450 33.583 -24.159 1.00 0.00 H new ATOM 0 HB3 HIS A 126 12.279 33.034 -25.342 1.00 0.00 H new ATOM 0 HD1 HIS A 126 11.966 34.856 -27.541 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.939 35.595 -24.696 1.00 0.00 H new ATOM 0 HE1 HIS A 126 13.622 36.606 -28.530 1.00 0.00 H new ATOM 1905 N HIS A 127 11.462 35.509 -21.705 1.00 0.00 N ATOM 1906 CA HIS A 127 11.898 36.378 -20.593 1.00 0.00 C ATOM 1907 C HIS A 127 12.070 35.539 -19.321 1.00 0.00 C ATOM 1908 O HIS A 127 11.295 34.601 -19.073 1.00 0.00 O ATOM 1909 CB HIS A 127 10.885 37.524 -20.332 1.00 0.00 C ATOM 1910 CG HIS A 127 10.824 38.562 -21.419 1.00 0.00 C ATOM 1911 ND1 HIS A 127 9.821 38.606 -22.364 1.00 0.00 N ATOM 1912 CD2 HIS A 127 11.649 39.595 -21.704 1.00 0.00 C ATOM 1913 CE1 HIS A 127 10.029 39.621 -23.177 1.00 0.00 C ATOM 1914 NE2 HIS A 127 11.128 40.243 -22.796 1.00 0.00 N ATOM 0 H HIS A 127 10.727 34.854 -21.439 1.00 0.00 H new ATOM 0 HA HIS A 127 12.850 36.830 -20.872 1.00 0.00 H new ATOM 0 HB2 HIS A 127 9.892 37.092 -20.203 1.00 0.00 H new ATOM 0 HB3 HIS A 127 11.144 38.014 -19.393 1.00 0.00 H new ATOM 0 HD1 HIS A 127 9.039 37.954 -22.424 1.00 0.00 H new ATOM 0 HD2 HIS A 127 12.550 39.861 -21.171 1.00 0.00 H new ATOM 0 HE1 HIS A 127 9.405 39.897 -24.014 1.00 0.00 H new ATOM 1923 N HIS A 128 13.091 35.880 -18.512 1.00 0.00 N ATOM 1924 CA HIS A 128 13.321 35.234 -17.205 1.00 0.00 C ATOM 1925 C HIS A 128 12.388 35.861 -16.146 1.00 0.00 C ATOM 1926 O HIS A 128 12.742 36.822 -15.447 1.00 0.00 O ATOM 1927 CB HIS A 128 14.833 35.297 -16.795 1.00 0.00 C ATOM 1928 CG HIS A 128 15.418 36.684 -16.642 1.00 0.00 C ATOM 1929 ND1 HIS A 128 15.535 37.314 -15.428 1.00 0.00 N ATOM 1930 CD2 HIS A 128 15.889 37.563 -17.557 1.00 0.00 C ATOM 1931 CE1 HIS A 128 16.046 38.516 -15.601 1.00 0.00 C ATOM 1932 NE2 HIS A 128 16.270 38.693 -16.885 1.00 0.00 N ATOM 0 H HIS A 128 13.773 36.603 -18.742 1.00 0.00 H new ATOM 0 HA HIS A 128 13.076 34.174 -17.279 1.00 0.00 H new ATOM 0 HB2 HIS A 128 14.956 34.765 -15.851 1.00 0.00 H new ATOM 0 HB3 HIS A 128 15.415 34.758 -17.543 1.00 0.00 H new ATOM 0 HD1 HIS A 128 15.267 36.913 -14.529 1.00 0.00 H new ATOM 0 HD2 HIS A 128 15.953 37.402 -18.623 1.00 0.00 H new ATOM 0 HE1 HIS A 128 16.247 39.235 -14.820 1.00 0.00 H new ATOM 1941 N HIS A 129 11.151 35.344 -16.090 1.00 0.00 N ATOM 1942 CA HIS A 129 10.172 35.728 -15.054 1.00 0.00 C ATOM 1943 C HIS A 129 10.595 35.120 -13.703 1.00 0.00 C ATOM 1944 O HIS A 129 10.298 35.662 -12.633 1.00 0.00 O ATOM 1945 CB HIS A 129 8.746 35.260 -15.457 1.00 0.00 C ATOM 1946 CG HIS A 129 7.636 35.880 -14.645 1.00 0.00 C ATOM 1947 ND1 HIS A 129 6.983 37.033 -15.030 1.00 0.00 N ATOM 1948 CD2 HIS A 129 7.071 35.507 -13.472 1.00 0.00 C ATOM 1949 CE1 HIS A 129 6.075 37.343 -14.127 1.00 0.00 C ATOM 1950 NE2 HIS A 129 6.102 36.432 -13.173 1.00 0.00 N ATOM 0 H HIS A 129 10.801 34.654 -16.754 1.00 0.00 H new ATOM 0 HA HIS A 129 10.149 36.814 -14.958 1.00 0.00 H new ATOM 0 HB2 HIS A 129 8.584 35.493 -16.509 1.00 0.00 H new ATOM 0 HB3 HIS A 129 8.691 34.176 -15.358 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.334 34.642 -12.881 1.00 0.00 H new ATOM 0 HE1 HIS A 129 5.418 38.200 -14.162 1.00 0.00 H new ATOM 0 HE2 HIS A 129 5.501 36.417 -12.349 1.00 0.00 H new ATOM 1959 N HIS A 130 11.300 33.979 -13.793 1.00 0.00 N ATOM 1960 CA HIS A 130 11.878 33.269 -12.646 1.00 0.00 C ATOM 1961 C HIS A 130 13.407 33.434 -12.697 1.00 0.00 C ATOM 1962 O HIS A 130 14.039 32.998 -13.666 1.00 0.00 O ATOM 1963 CB HIS A 130 11.483 31.769 -12.700 1.00 0.00 C ATOM 1964 CG HIS A 130 9.995 31.539 -12.760 1.00 0.00 C ATOM 1965 ND1 HIS A 130 9.325 31.221 -13.924 1.00 0.00 N ATOM 1966 CD2 HIS A 130 9.048 31.604 -11.795 1.00 0.00 C ATOM 1967 CE1 HIS A 130 8.037 31.097 -13.670 1.00 0.00 C ATOM 1968 NE2 HIS A 130 7.839 31.324 -12.385 1.00 0.00 N ATOM 0 H HIS A 130 11.486 33.518 -14.684 1.00 0.00 H new ATOM 0 HA HIS A 130 11.498 33.682 -11.712 1.00 0.00 H new ATOM 0 HB2 HIS A 130 11.949 31.310 -13.572 1.00 0.00 H new ATOM 0 HB3 HIS A 130 11.885 31.264 -11.822 1.00 0.00 H new ATOM 0 HD2 HIS A 130 9.212 31.834 -10.753 1.00 0.00 H new ATOM 0 HE1 HIS A 130 7.273 30.851 -14.392 1.00 0.00 H new ATOM 0 HE2 HIS A 130 6.938 31.296 -11.909 1.00 0.00 H new ATOM 1977 N HIS A 131 13.968 34.085 -11.658 1.00 0.00 N ATOM 1978 CA HIS A 131 15.416 34.357 -11.504 1.00 0.00 C ATOM 1979 C HIS A 131 15.932 35.291 -12.640 1.00 0.00 C ATOM 1980 O HIS A 131 15.815 36.528 -12.495 1.00 0.00 O ATOM 1981 CB HIS A 131 16.244 33.040 -11.393 1.00 0.00 C ATOM 1982 CG HIS A 131 15.835 32.151 -10.240 1.00 0.00 C ATOM 1983 ND1 HIS A 131 16.430 32.199 -8.995 1.00 0.00 N ATOM 1984 CD2 HIS A 131 14.879 31.191 -10.153 1.00 0.00 C ATOM 1985 CE1 HIS A 131 15.866 31.307 -8.202 1.00 0.00 C ATOM 1986 NE2 HIS A 131 14.922 30.679 -8.880 1.00 0.00 N ATOM 1987 OXT HIS A 131 16.417 34.798 -13.679 1.00 0.00 O ATOM 0 H HIS A 131 13.414 34.446 -10.881 1.00 0.00 H new ATOM 0 HA HIS A 131 15.559 34.887 -10.562 1.00 0.00 H new ATOM 0 HB2 HIS A 131 16.144 32.480 -12.323 1.00 0.00 H new ATOM 0 HB3 HIS A 131 17.299 33.294 -11.286 1.00 0.00 H new ATOM 0 HD2 HIS A 131 14.207 30.886 -10.942 1.00 0.00 H new ATOM 0 HE1 HIS A 131 16.132 31.122 -7.172 1.00 0.00 H new ATOM 0 HE2 HIS A 131 14.324 29.936 -8.518 1.00 0.00 H new TER 1996 HIS A 131