USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 742 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 69 TYR OH : rot -149:sc= -0.0564 USER MOD Set 1.2: A 73 HIS : no HD1:sc= -0.782 X(o=-0.84,f=-0.91) USER MOD Set 2.1: A 42 LYS NZ :NH3+ -130:sc= 0.653 (180deg=-0.163) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0.592 USER MOD Set 3.1: A 9 ASN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.119 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.54! C(o=-2.5!,f=-1.2!) USER MOD Single : A 17 HIS : no HD1:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl -162:sc= -0.114 (180deg=-0.356) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0.211 (180deg=0.203) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 49 THR OG1 : rot -110:sc= -0.633 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.544 K(o=-0.54,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= -0.0681 (180deg=-0.106) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -3:sc= 0.0432 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0504) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.190 1.612 -30.219 1.00 0.00 N ATOM 2 CA GLY A 1 1.041 1.175 -29.587 1.00 0.00 C ATOM 3 C GLY A 1 0.816 0.642 -28.186 1.00 0.00 C ATOM 4 O GLY A 1 0.277 -0.450 -28.009 1.00 0.00 O ATOM 0 H1 GLY A 1 0.017 1.967 -31.174 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.850 0.811 -30.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.620 2.371 -29.653 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.504 0.400 -30.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.741 2.009 -29.547 1.00 0.00 H new ATOM 8 N SER A 2 1.231 1.415 -27.187 1.00 0.00 N ATOM 9 CA SER A 2 1.077 1.012 -25.794 1.00 0.00 C ATOM 10 C SER A 2 -0.021 1.823 -25.113 1.00 0.00 C ATOM 11 O SER A 2 0.003 3.054 -25.124 1.00 0.00 O ATOM 12 CB SER A 2 2.397 1.187 -25.042 1.00 0.00 C ATOM 13 OG SER A 2 3.327 0.182 -25.404 1.00 0.00 O ATOM 0 H SER A 2 1.676 2.323 -27.317 1.00 0.00 H new ATOM 0 HA SER A 2 0.793 -0.040 -25.775 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.816 2.170 -25.260 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.215 1.149 -23.968 1.00 0.00 H new ATOM 0 HG SER A 2 4.163 0.317 -24.911 1.00 0.00 H new ATOM 19 N SER A 3 -0.984 1.123 -24.520 1.00 0.00 N ATOM 20 CA SER A 3 -2.094 1.776 -23.837 1.00 0.00 C ATOM 21 C SER A 3 -1.603 2.967 -23.019 1.00 0.00 C ATOM 22 O SER A 3 -2.188 4.049 -23.064 1.00 0.00 O ATOM 23 CB SER A 3 -2.816 0.782 -22.926 1.00 0.00 C ATOM 24 OG SER A 3 -1.986 0.379 -21.850 1.00 0.00 O ATOM 0 H SER A 3 -1.017 0.104 -24.499 1.00 0.00 H new ATOM 0 HA SER A 3 -2.791 2.138 -24.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.727 1.237 -22.536 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.118 -0.092 -23.503 1.00 0.00 H new ATOM 0 HG SER A 3 -2.472 -0.255 -21.282 1.00 0.00 H new ATOM 30 N GLY A 4 -0.523 2.759 -22.271 1.00 0.00 N ATOM 31 CA GLY A 4 0.029 3.824 -21.454 1.00 0.00 C ATOM 32 C GLY A 4 0.387 3.356 -20.057 1.00 0.00 C ATOM 33 O GLY A 4 0.418 2.155 -19.786 1.00 0.00 O ATOM 0 H GLY A 4 -0.021 1.873 -22.216 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.919 4.226 -21.939 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.693 4.638 -21.387 1.00 0.00 H new ATOM 37 N SER A 5 0.659 4.305 -19.168 1.00 0.00 N ATOM 38 CA SER A 5 1.023 3.984 -17.793 1.00 0.00 C ATOM 39 C SER A 5 0.712 5.151 -16.862 1.00 0.00 C ATOM 40 O SER A 5 1.067 6.296 -17.144 1.00 0.00 O ATOM 41 CB SER A 5 2.508 3.627 -17.705 1.00 0.00 C ATOM 42 OG SER A 5 2.821 3.050 -16.450 1.00 0.00 O ATOM 0 H SER A 5 0.634 5.303 -19.375 1.00 0.00 H new ATOM 0 HA SER A 5 0.432 3.124 -17.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.766 2.931 -18.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.110 4.523 -17.857 1.00 0.00 H new ATOM 0 HG SER A 5 3.775 2.830 -16.420 1.00 0.00 H new ATOM 48 N SER A 6 0.048 4.853 -15.750 1.00 0.00 N ATOM 49 CA SER A 6 -0.315 5.878 -14.778 1.00 0.00 C ATOM 50 C SER A 6 0.533 5.754 -13.516 1.00 0.00 C ATOM 51 O SER A 6 0.725 4.659 -12.988 1.00 0.00 O ATOM 52 CB SER A 6 -1.799 5.770 -14.421 1.00 0.00 C ATOM 53 OG SER A 6 -2.610 6.319 -15.445 1.00 0.00 O ATOM 0 H SER A 6 -0.250 3.910 -15.500 1.00 0.00 H new ATOM 0 HA SER A 6 -0.127 6.853 -15.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.064 4.724 -14.264 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.990 6.291 -13.483 1.00 0.00 H new ATOM 0 HG SER A 6 -3.554 6.237 -15.194 1.00 0.00 H new ATOM 59 N GLY A 7 1.040 6.886 -13.037 1.00 0.00 N ATOM 60 CA GLY A 7 1.862 6.883 -11.841 1.00 0.00 C ATOM 61 C GLY A 7 1.036 6.858 -10.570 1.00 0.00 C ATOM 62 O GLY A 7 0.666 7.906 -10.042 1.00 0.00 O ATOM 0 H GLY A 7 0.896 7.805 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.521 6.015 -11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.499 7.767 -11.839 1.00 0.00 H new ATOM 66 N GLN A 8 0.747 5.657 -10.078 1.00 0.00 N ATOM 67 CA GLN A 8 -0.043 5.500 -8.863 1.00 0.00 C ATOM 68 C GLN A 8 0.858 5.426 -7.634 1.00 0.00 C ATOM 69 O GLN A 8 1.723 4.557 -7.538 1.00 0.00 O ATOM 70 CB GLN A 8 -0.909 4.242 -8.950 1.00 0.00 C ATOM 71 CG GLN A 8 -2.066 4.367 -9.929 1.00 0.00 C ATOM 72 CD GLN A 8 -3.246 3.494 -9.552 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.251 3.979 -9.031 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.131 2.197 -9.815 1.00 0.00 N ATOM 0 H GLN A 8 1.048 4.780 -10.502 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.690 6.372 -8.766 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.283 3.400 -9.245 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.304 4.014 -7.960 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.388 5.407 -9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.723 4.096 -10.928 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.280 1.838 -10.248 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.894 1.560 -9.584 1.00 0.00 H new ATOM 83 N ASN A 9 0.650 6.346 -6.697 1.00 0.00 N ATOM 84 CA ASN A 9 1.444 6.385 -5.475 1.00 0.00 C ATOM 85 C ASN A 9 0.717 5.686 -4.330 1.00 0.00 C ATOM 86 O ASN A 9 1.344 5.124 -3.433 1.00 0.00 O ATOM 87 CB ASN A 9 1.752 7.834 -5.089 1.00 0.00 C ATOM 88 CG ASN A 9 0.507 8.606 -4.701 1.00 0.00 C ATOM 89 OD1 ASN A 9 -0.003 8.467 -3.590 1.00 0.00 O ATOM 90 ND2 ASN A 9 0.010 9.427 -5.619 1.00 0.00 N ATOM 0 H ASN A 9 -0.062 7.074 -6.761 1.00 0.00 H new ATOM 0 HA ASN A 9 2.380 5.858 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.456 7.844 -4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.240 8.334 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -0.827 9.973 -5.415 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.465 9.511 -6.528 1.00 0.00 H new ATOM 97 N VAL A 10 -0.612 5.725 -4.369 1.00 0.00 N ATOM 98 CA VAL A 10 -1.425 5.094 -3.337 1.00 0.00 C ATOM 99 C VAL A 10 -1.971 3.752 -3.811 1.00 0.00 C ATOM 100 O VAL A 10 -2.691 3.679 -4.808 1.00 0.00 O ATOM 101 CB VAL A 10 -2.602 5.996 -2.921 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.488 6.305 -4.118 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.406 5.343 -1.807 1.00 0.00 C ATOM 0 H VAL A 10 -1.147 6.187 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.776 4.935 -2.476 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.200 6.937 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.314 6.943 -3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.903 6.818 -4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.883 5.375 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.234 5.994 -1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.798 4.387 -2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.763 5.179 -0.942 1.00 0.00 H new ATOM 113 N LEU A 11 -1.624 2.691 -3.091 1.00 0.00 N ATOM 114 CA LEU A 11 -2.080 1.349 -3.437 1.00 0.00 C ATOM 115 C LEU A 11 -3.217 0.907 -2.522 1.00 0.00 C ATOM 116 O LEU A 11 -2.989 0.519 -1.376 1.00 0.00 O ATOM 117 CB LEU A 11 -0.920 0.356 -3.346 1.00 0.00 C ATOM 118 CG LEU A 11 -1.307 -1.119 -3.237 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.584 -1.701 -4.615 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.212 -1.908 -2.534 1.00 0.00 C ATOM 0 H LEU A 11 -1.028 2.734 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.452 1.371 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.290 0.482 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.312 0.617 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.218 -1.192 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.858 -2.752 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.403 -1.154 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.690 -1.615 -5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.505 -2.956 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.716 -1.827 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.061 -1.507 -1.532 1.00 0.00 H new ATOM 132 N ASP A 12 -4.440 0.965 -3.036 1.00 0.00 N ATOM 133 CA ASP A 12 -5.613 0.568 -2.266 1.00 0.00 C ATOM 134 C ASP A 12 -5.778 -0.949 -2.272 1.00 0.00 C ATOM 135 O ASP A 12 -6.014 -1.555 -3.318 1.00 0.00 O ATOM 136 CB ASP A 12 -6.870 1.232 -2.831 1.00 0.00 C ATOM 137 CG ASP A 12 -7.143 2.584 -2.202 1.00 0.00 C ATOM 138 OD1 ASP A 12 -7.770 2.621 -1.123 1.00 0.00 O ATOM 139 OD2 ASP A 12 -6.728 3.605 -2.789 1.00 0.00 O ATOM 0 H ASP A 12 -4.645 1.283 -3.983 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.470 0.897 -1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.761 1.351 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.727 0.579 -2.668 1.00 0.00 H new ATOM 144 N LEU A 13 -5.652 -1.557 -1.097 1.00 0.00 N ATOM 145 CA LEU A 13 -5.786 -3.003 -0.966 1.00 0.00 C ATOM 146 C LEU A 13 -7.149 -3.374 -0.391 1.00 0.00 C ATOM 147 O LEU A 13 -7.478 -4.553 -0.256 1.00 0.00 O ATOM 148 CB LEU A 13 -4.675 -3.559 -0.073 1.00 0.00 C ATOM 149 CG LEU A 13 -3.245 -3.203 -0.481 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.276 -3.509 0.651 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.847 -3.953 -1.743 1.00 0.00 C ATOM 0 H LEU A 13 -5.457 -1.071 -0.222 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.700 -3.442 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.841 -3.203 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.765 -4.645 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.203 -2.134 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.263 -3.250 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.548 -2.926 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.321 -4.571 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.826 -3.687 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.906 -5.026 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.523 -3.684 -2.555 1.00 0.00 H new ATOM 163 N HIS A 14 -7.940 -2.360 -0.057 1.00 0.00 N ATOM 164 CA HIS A 14 -9.270 -2.579 0.501 1.00 0.00 C ATOM 165 C HIS A 14 -10.149 -3.352 -0.478 1.00 0.00 C ATOM 166 O HIS A 14 -10.430 -2.883 -1.580 1.00 0.00 O ATOM 167 CB HIS A 14 -9.927 -1.243 0.848 1.00 0.00 C ATOM 168 CG HIS A 14 -10.725 -0.657 -0.277 1.00 0.00 C ATOM 169 ND1 HIS A 14 -10.246 0.340 -1.100 1.00 0.00 N ATOM 170 CD2 HIS A 14 -11.975 -0.935 -0.714 1.00 0.00 C ATOM 171 CE1 HIS A 14 -11.167 0.651 -1.994 1.00 0.00 C ATOM 172 NE2 HIS A 14 -12.227 -0.109 -1.781 1.00 0.00 N ATOM 0 H HIS A 14 -7.684 -1.378 -0.163 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.163 -3.170 1.411 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.578 -1.381 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.154 -0.533 1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.649 -1.670 -0.300 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.070 1.399 -2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.092 -0.086 -2.322 1.00 0.00 H new ATOM 180 N GLY A 15 -10.579 -4.541 -0.067 1.00 0.00 N ATOM 181 CA GLY A 15 -11.420 -5.361 -0.920 1.00 0.00 C ATOM 182 C GLY A 15 -10.752 -6.663 -1.314 1.00 0.00 C ATOM 183 O GLY A 15 -11.387 -7.718 -1.322 1.00 0.00 O ATOM 0 H GLY A 15 -10.360 -4.951 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.355 -5.578 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.676 -4.801 -1.819 1.00 0.00 H new ATOM 187 N LEU A 16 -9.467 -6.591 -1.644 1.00 0.00 N ATOM 188 CA LEU A 16 -8.712 -7.773 -2.044 1.00 0.00 C ATOM 189 C LEU A 16 -8.497 -8.708 -0.858 1.00 0.00 C ATOM 190 O LEU A 16 -8.850 -8.381 0.276 1.00 0.00 O ATOM 191 CB LEU A 16 -7.363 -7.365 -2.637 1.00 0.00 C ATOM 192 CG LEU A 16 -7.411 -6.673 -4.000 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.212 -5.755 -4.175 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.465 -7.702 -5.119 1.00 0.00 C ATOM 0 H LEU A 16 -8.926 -5.726 -1.642 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.289 -8.303 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.865 -6.700 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.743 -8.257 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.316 -6.067 -4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.263 -5.271 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.218 -4.996 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.294 -6.339 -4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.499 -7.191 -6.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.578 -8.335 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.357 -8.318 -5.004 1.00 0.00 H new ATOM 206 N HIS A 17 -7.912 -9.871 -1.126 1.00 0.00 N ATOM 207 CA HIS A 17 -7.646 -10.853 -0.080 1.00 0.00 C ATOM 208 C HIS A 17 -6.259 -10.645 0.519 1.00 0.00 C ATOM 209 O HIS A 17 -5.297 -10.365 -0.197 1.00 0.00 O ATOM 210 CB HIS A 17 -7.767 -12.271 -0.639 1.00 0.00 C ATOM 211 CG HIS A 17 -7.981 -13.314 0.414 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.091 -14.341 0.648 1.00 0.00 N ATOM 213 CD2 HIS A 17 -8.990 -13.483 1.300 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.545 -15.098 1.630 1.00 0.00 C ATOM 215 NE2 HIS A 17 -8.696 -14.599 2.044 1.00 0.00 N ATOM 0 H HIS A 17 -7.613 -10.157 -2.058 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.387 -10.718 0.708 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.596 -12.305 -1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.862 -12.511 -1.198 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -9.864 -12.857 1.403 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.058 -15.976 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.272 -14.981 2.794 1.00 0.00 H new ATOM 223 N VAL A 18 -6.162 -10.784 1.838 1.00 0.00 N ATOM 224 CA VAL A 18 -4.892 -10.613 2.534 1.00 0.00 C ATOM 225 C VAL A 18 -3.729 -11.116 1.686 1.00 0.00 C ATOM 226 O VAL A 18 -2.726 -10.422 1.517 1.00 0.00 O ATOM 227 CB VAL A 18 -4.888 -11.353 3.884 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.509 -11.288 4.524 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.944 -10.774 4.813 1.00 0.00 C ATOM 0 H VAL A 18 -6.948 -11.015 2.446 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.771 -9.545 2.714 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.131 -12.400 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.525 -11.816 5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.779 -11.755 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.234 -10.247 4.691 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.927 -11.309 5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.736 -9.719 4.988 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.928 -10.879 4.356 1.00 0.00 H new ATOM 239 N ASP A 19 -3.871 -12.325 1.156 1.00 0.00 N ATOM 240 CA ASP A 19 -2.832 -12.922 0.324 1.00 0.00 C ATOM 241 C ASP A 19 -2.552 -12.056 -0.900 1.00 0.00 C ATOM 242 O ASP A 19 -1.404 -11.715 -1.182 1.00 0.00 O ATOM 243 CB ASP A 19 -3.244 -14.328 -0.114 1.00 0.00 C ATOM 244 CG ASP A 19 -2.792 -15.395 0.864 1.00 0.00 C ATOM 245 OD1 ASP A 19 -1.572 -15.489 1.116 1.00 0.00 O ATOM 246 OD2 ASP A 19 -3.657 -16.136 1.376 1.00 0.00 O ATOM 0 H ASP A 19 -4.695 -12.912 1.287 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.920 -12.988 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.328 -14.370 -0.217 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.822 -14.538 -1.097 1.00 0.00 H new ATOM 251 N GLU A 20 -3.610 -11.704 -1.624 1.00 0.00 N ATOM 252 CA GLU A 20 -3.477 -10.879 -2.819 1.00 0.00 C ATOM 253 C GLU A 20 -2.805 -9.550 -2.491 1.00 0.00 C ATOM 254 O GLU A 20 -1.727 -9.244 -3.001 1.00 0.00 O ATOM 255 CB GLU A 20 -4.849 -10.628 -3.448 1.00 0.00 C ATOM 256 CG GLU A 20 -5.291 -11.723 -4.404 1.00 0.00 C ATOM 257 CD GLU A 20 -5.796 -12.958 -3.683 1.00 0.00 C ATOM 258 OE1 GLU A 20 -4.960 -13.733 -3.175 1.00 0.00 O ATOM 259 OE2 GLU A 20 -7.029 -13.148 -3.628 1.00 0.00 O ATOM 0 H GLU A 20 -4.568 -11.977 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.851 -11.416 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.590 -10.529 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.826 -9.678 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.078 -11.338 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.455 -11.998 -5.047 1.00 0.00 H new ATOM 266 N ALA A 21 -3.449 -8.763 -1.635 1.00 0.00 N ATOM 267 CA ALA A 21 -2.914 -7.467 -1.237 1.00 0.00 C ATOM 268 C ALA A 21 -1.402 -7.532 -1.050 1.00 0.00 C ATOM 269 O ALA A 21 -0.671 -6.654 -1.512 1.00 0.00 O ATOM 270 CB ALA A 21 -3.585 -6.989 0.042 1.00 0.00 C ATOM 0 H ALA A 21 -4.342 -9.001 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.126 -6.754 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.176 -6.020 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.658 -6.895 -0.123 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.403 -7.709 0.840 1.00 0.00 H new ATOM 276 N LEU A 22 -0.938 -8.574 -0.370 1.00 0.00 N ATOM 277 CA LEU A 22 0.488 -8.753 -0.122 1.00 0.00 C ATOM 278 C LEU A 22 1.273 -8.754 -1.430 1.00 0.00 C ATOM 279 O LEU A 22 2.203 -7.968 -1.607 1.00 0.00 O ATOM 280 CB LEU A 22 0.735 -10.059 0.635 1.00 0.00 C ATOM 281 CG LEU A 22 0.530 -10.006 2.150 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.636 -11.399 2.752 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.540 -9.067 2.792 1.00 0.00 C ATOM 0 H LEU A 22 -1.529 -9.308 0.020 1.00 0.00 H new ATOM 0 HA LEU A 22 0.833 -7.917 0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.074 -10.823 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.757 -10.382 0.438 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.470 -9.622 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.488 -11.342 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.126 -12.043 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.623 -11.811 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.379 -9.042 3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.550 -9.421 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.416 -8.064 2.383 1.00 0.00 H new ATOM 295 N GLU A 23 0.890 -9.641 -2.343 1.00 0.00 N ATOM 296 CA GLU A 23 1.557 -9.743 -3.635 1.00 0.00 C ATOM 297 C GLU A 23 1.640 -8.378 -4.314 1.00 0.00 C ATOM 298 O GLU A 23 2.641 -8.048 -4.949 1.00 0.00 O ATOM 299 CB GLU A 23 0.817 -10.730 -4.540 1.00 0.00 C ATOM 300 CG GLU A 23 -0.198 -10.072 -5.458 1.00 0.00 C ATOM 301 CD GLU A 23 0.430 -9.521 -6.724 1.00 0.00 C ATOM 302 OE1 GLU A 23 0.616 -10.302 -7.681 1.00 0.00 O ATOM 303 OE2 GLU A 23 0.735 -8.311 -6.757 1.00 0.00 O ATOM 0 H GLU A 23 0.122 -10.299 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 23 2.570 -10.107 -3.464 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.545 -11.270 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.308 -11.468 -3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.966 -10.798 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.696 -9.264 -4.923 1.00 0.00 H new ATOM 310 N HIS A 24 0.579 -7.589 -4.175 1.00 0.00 N ATOM 311 CA HIS A 24 0.530 -6.260 -4.774 1.00 0.00 C ATOM 312 C HIS A 24 1.461 -5.299 -4.040 1.00 0.00 C ATOM 313 O HIS A 24 2.104 -4.449 -4.656 1.00 0.00 O ATOM 314 CB HIS A 24 -0.900 -5.720 -4.753 1.00 0.00 C ATOM 315 CG HIS A 24 -1.694 -6.081 -5.970 1.00 0.00 C ATOM 316 ND1 HIS A 24 -1.552 -5.437 -7.180 1.00 0.00 N ATOM 317 CD2 HIS A 24 -2.643 -7.028 -6.159 1.00 0.00 C ATOM 318 CE1 HIS A 24 -2.380 -5.971 -8.061 1.00 0.00 C ATOM 319 NE2 HIS A 24 -3.053 -6.938 -7.466 1.00 0.00 N ATOM 0 H HIS A 24 -0.258 -7.847 -3.653 1.00 0.00 H new ATOM 0 HA HIS A 24 0.863 -6.342 -5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.411 -6.102 -3.869 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.868 -4.635 -4.659 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.009 -7.724 -5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -2.488 -5.668 -9.092 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.763 -7.524 -7.906 1.00 0.00 H new ATOM 327 N LEU A 25 1.526 -5.439 -2.720 1.00 0.00 N ATOM 328 CA LEU A 25 2.378 -4.583 -1.902 1.00 0.00 C ATOM 329 C LEU A 25 3.851 -4.810 -2.225 1.00 0.00 C ATOM 330 O LEU A 25 4.640 -3.867 -2.267 1.00 0.00 O ATOM 331 CB LEU A 25 2.123 -4.848 -0.417 1.00 0.00 C ATOM 332 CG LEU A 25 2.934 -4.000 0.565 1.00 0.00 C ATOM 333 CD1 LEU A 25 2.187 -2.720 0.907 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.242 -4.794 1.826 1.00 0.00 C ATOM 0 H LEU A 25 0.999 -6.136 -2.194 1.00 0.00 H new ATOM 0 HA LEU A 25 2.132 -3.545 -2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.064 -4.687 -0.216 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.330 -5.899 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 25 3.877 -3.730 0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.779 -2.129 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.018 -2.143 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.228 -2.969 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.819 -4.176 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.309 -5.094 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.818 -5.682 1.565 1.00 0.00 H new ATOM 346 N MET A 26 4.213 -6.068 -2.456 1.00 0.00 N ATOM 347 CA MET A 26 5.592 -6.418 -2.780 1.00 0.00 C ATOM 348 C MET A 26 5.951 -5.963 -4.191 1.00 0.00 C ATOM 349 O MET A 26 7.069 -5.512 -4.442 1.00 0.00 O ATOM 350 CB MET A 26 5.801 -7.928 -2.650 1.00 0.00 C ATOM 351 CG MET A 26 5.531 -8.460 -1.252 1.00 0.00 C ATOM 352 SD MET A 26 6.080 -10.165 -1.040 1.00 0.00 S ATOM 353 CE MET A 26 4.516 -11.035 -1.112 1.00 0.00 C ATOM 0 H MET A 26 3.572 -6.861 -2.425 1.00 0.00 H new ATOM 0 HA MET A 26 6.246 -5.906 -2.075 1.00 0.00 H new ATOM 0 HB2 MET A 26 5.148 -8.439 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.826 -8.170 -2.931 1.00 0.00 H new ATOM 0 HG2 MET A 26 6.036 -7.826 -0.523 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.463 -8.398 -1.044 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.634 -12.032 -0.687 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.767 -10.485 -0.543 1.00 0.00 H new ATOM 0 HE3 MET A 26 4.194 -11.119 -2.150 1.00 0.00 H new ATOM 363 N ARG A 27 4.997 -6.084 -5.108 1.00 0.00 N ATOM 364 CA ARG A 27 5.214 -5.686 -6.494 1.00 0.00 C ATOM 365 C ARG A 27 5.303 -4.168 -6.616 1.00 0.00 C ATOM 366 O ARG A 27 6.190 -3.639 -7.286 1.00 0.00 O ATOM 367 CB ARG A 27 4.086 -6.215 -7.381 1.00 0.00 C ATOM 368 CG ARG A 27 4.307 -7.640 -7.862 1.00 0.00 C ATOM 369 CD ARG A 27 5.466 -7.723 -8.844 1.00 0.00 C ATOM 370 NE ARG A 27 5.412 -8.939 -9.652 1.00 0.00 N ATOM 371 CZ ARG A 27 4.583 -9.104 -10.676 1.00 0.00 C ATOM 372 NH1 ARG A 27 3.742 -8.137 -11.016 1.00 0.00 N ATOM 373 NH2 ARG A 27 4.594 -10.240 -11.363 1.00 0.00 N ATOM 0 H ARG A 27 4.066 -6.454 -4.916 1.00 0.00 H new ATOM 0 HA ARG A 27 6.159 -6.116 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.148 -6.169 -6.828 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.978 -5.561 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.506 -8.287 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.399 -8.010 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.450 -6.852 -9.499 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.408 -7.693 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 27 6.046 -9.703 -9.417 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.730 -7.263 -10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.107 -8.267 -11.803 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.239 -10.986 -11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.957 -10.367 -12.150 1.00 0.00 H new ATOM 387 N VAL A 28 4.376 -3.472 -5.964 1.00 0.00 N ATOM 388 CA VAL A 28 4.350 -2.014 -5.999 1.00 0.00 C ATOM 389 C VAL A 28 5.523 -1.424 -5.224 1.00 0.00 C ATOM 390 O VAL A 28 6.048 -0.369 -5.580 1.00 0.00 O ATOM 391 CB VAL A 28 3.035 -1.463 -5.417 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.865 -1.798 -6.330 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.802 -2.009 -4.016 1.00 0.00 C ATOM 0 H VAL A 28 3.634 -3.894 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 28 4.427 -1.721 -7.046 1.00 0.00 H new ATOM 0 HB VAL A 28 3.114 -0.378 -5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.944 -1.401 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.031 -1.354 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.781 -2.880 -6.431 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.868 -1.609 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.743 -3.097 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.627 -1.713 -3.368 1.00 0.00 H new ATOM 403 N LEU A 29 5.929 -2.112 -4.163 1.00 0.00 N ATOM 404 CA LEU A 29 7.042 -1.657 -3.336 1.00 0.00 C ATOM 405 C LEU A 29 8.319 -1.537 -4.161 1.00 0.00 C ATOM 406 O LEU A 29 9.068 -0.570 -4.024 1.00 0.00 O ATOM 407 CB LEU A 29 7.263 -2.621 -2.170 1.00 0.00 C ATOM 408 CG LEU A 29 6.509 -2.298 -0.879 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.665 -3.428 0.127 1.00 0.00 C ATOM 410 CD2 LEU A 29 7.000 -0.984 -0.289 1.00 0.00 C ATOM 0 H LEU A 29 5.505 -2.987 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 29 6.792 -0.672 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.977 -3.622 -2.493 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.329 -2.651 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 29 5.450 -2.193 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.122 -3.181 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.264 -4.349 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.721 -3.565 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.452 -0.770 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.065 -1.060 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.835 -0.179 -1.006 1.00 0.00 H new ATOM 422 N GLU A 30 8.560 -2.524 -5.019 1.00 0.00 N ATOM 423 CA GLU A 30 9.746 -2.526 -5.866 1.00 0.00 C ATOM 424 C GLU A 30 9.486 -1.775 -7.169 1.00 0.00 C ATOM 425 O GLU A 30 10.360 -1.077 -7.682 1.00 0.00 O ATOM 426 CB GLU A 30 10.179 -3.962 -6.171 1.00 0.00 C ATOM 427 CG GLU A 30 10.711 -4.707 -4.958 1.00 0.00 C ATOM 428 CD GLU A 30 9.605 -5.298 -4.105 1.00 0.00 C ATOM 429 OE1 GLU A 30 9.086 -4.578 -3.226 1.00 0.00 O ATOM 430 OE2 GLU A 30 9.260 -6.479 -4.316 1.00 0.00 O ATOM 0 H GLU A 30 7.950 -3.331 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 30 10.546 -2.018 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.330 -4.510 -6.580 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.949 -3.945 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.375 -5.505 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.308 -4.026 -4.351 1.00 0.00 H new ATOM 437 N LYS A 31 8.277 -1.924 -7.699 1.00 0.00 N ATOM 438 CA LYS A 31 7.899 -1.261 -8.941 1.00 0.00 C ATOM 439 C LYS A 31 7.786 0.247 -8.740 1.00 0.00 C ATOM 440 O LYS A 31 8.459 1.026 -9.415 1.00 0.00 O ATOM 441 CB LYS A 31 6.570 -1.818 -9.458 1.00 0.00 C ATOM 442 CG LYS A 31 5.991 -1.031 -10.620 1.00 0.00 C ATOM 443 CD LYS A 31 6.524 -1.531 -11.953 1.00 0.00 C ATOM 444 CE LYS A 31 5.564 -1.217 -13.090 1.00 0.00 C ATOM 445 NZ LYS A 31 6.271 -1.098 -14.395 1.00 0.00 N ATOM 0 H LYS A 31 7.542 -2.499 -7.287 1.00 0.00 H new ATOM 0 HA LYS A 31 8.678 -1.455 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.716 -2.853 -9.768 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.848 -1.828 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.904 -1.111 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.234 0.025 -10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.491 -1.071 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.687 -2.607 -11.900 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.810 -2.001 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.039 -0.286 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.583 -0.884 -15.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.973 -0.333 -14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.752 -1.994 -14.612 1.00 0.00 H new ATOM 459 N LYS A 32 6.931 0.652 -7.807 1.00 0.00 N ATOM 460 CA LYS A 32 6.731 2.067 -7.514 1.00 0.00 C ATOM 461 C LYS A 32 8.067 2.775 -7.315 1.00 0.00 C ATOM 462 O LYS A 32 8.449 3.637 -8.107 1.00 0.00 O ATOM 463 CB LYS A 32 5.863 2.232 -6.265 1.00 0.00 C ATOM 464 CG LYS A 32 4.498 1.575 -6.381 1.00 0.00 C ATOM 465 CD LYS A 32 3.520 2.453 -7.144 1.00 0.00 C ATOM 466 CE LYS A 32 2.188 1.750 -7.355 1.00 0.00 C ATOM 467 NZ LYS A 32 1.239 2.014 -6.238 1.00 0.00 N ATOM 0 H LYS A 32 6.365 0.020 -7.240 1.00 0.00 H new ATOM 0 HA LYS A 32 6.223 2.521 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.389 1.809 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.729 3.295 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.597 0.615 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.105 1.372 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.360 3.382 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.948 2.722 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.746 2.084 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.354 0.676 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.375 1.451 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.683 1.751 -5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.994 3.025 -6.222 1.00 0.00 H new ATOM 481 N THR A 33 8.775 2.405 -6.252 1.00 0.00 N ATOM 482 CA THR A 33 10.069 3.005 -5.949 1.00 0.00 C ATOM 483 C THR A 33 10.920 3.139 -7.206 1.00 0.00 C ATOM 484 O THR A 33 11.786 4.010 -7.289 1.00 0.00 O ATOM 485 CB THR A 33 10.841 2.176 -4.905 1.00 0.00 C ATOM 486 OG1 THR A 33 11.988 2.905 -4.452 1.00 0.00 O ATOM 487 CG2 THR A 33 11.281 0.842 -5.491 1.00 0.00 C ATOM 0 H THR A 33 8.474 1.693 -5.587 1.00 0.00 H new ATOM 0 HA THR A 33 9.871 3.996 -5.541 1.00 0.00 H new ATOM 0 HB THR A 33 10.177 1.984 -4.063 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.473 2.372 -3.787 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.824 0.274 -4.736 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.404 0.277 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.930 1.018 -6.349 1.00 0.00 H new ATOM 495 N GLU A 34 10.669 2.272 -8.182 1.00 0.00 N ATOM 496 CA GLU A 34 11.414 2.296 -9.435 1.00 0.00 C ATOM 497 C GLU A 34 11.282 3.652 -10.121 1.00 0.00 C ATOM 498 O GLU A 34 12.274 4.243 -10.545 1.00 0.00 O ATOM 499 CB GLU A 34 10.919 1.189 -10.369 1.00 0.00 C ATOM 500 CG GLU A 34 11.963 0.728 -11.372 1.00 0.00 C ATOM 501 CD GLU A 34 12.106 1.681 -12.544 1.00 0.00 C ATOM 502 OE1 GLU A 34 11.123 2.381 -12.864 1.00 0.00 O ATOM 503 OE2 GLU A 34 13.203 1.726 -13.140 1.00 0.00 O ATOM 0 H GLU A 34 9.956 1.545 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 34 12.466 2.125 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.600 0.336 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.041 1.545 -10.908 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.925 0.629 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.693 -0.261 -11.743 1.00 0.00 H new ATOM 510 N GLU A 35 10.049 4.138 -10.226 1.00 0.00 N ATOM 511 CA GLU A 35 9.787 5.424 -10.862 1.00 0.00 C ATOM 512 C GLU A 35 10.216 6.576 -9.957 1.00 0.00 C ATOM 513 O GLU A 35 10.466 7.687 -10.425 1.00 0.00 O ATOM 514 CB GLU A 35 8.301 5.555 -11.204 1.00 0.00 C ATOM 515 CG GLU A 35 7.420 5.825 -9.996 1.00 0.00 C ATOM 516 CD GLU A 35 6.153 6.577 -10.354 1.00 0.00 C ATOM 517 OE1 GLU A 35 5.269 5.975 -11.000 1.00 0.00 O ATOM 518 OE2 GLU A 35 6.045 7.766 -9.989 1.00 0.00 O ATOM 0 H GLU A 35 9.217 3.661 -9.879 1.00 0.00 H new ATOM 0 HA GLU A 35 10.370 5.471 -11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.173 6.363 -11.925 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.966 4.638 -11.690 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.155 4.878 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.984 6.400 -9.261 1.00 0.00 H new ATOM 525 N PHE A 36 10.297 6.302 -8.660 1.00 0.00 N ATOM 526 CA PHE A 36 10.694 7.315 -7.688 1.00 0.00 C ATOM 527 C PHE A 36 12.168 7.675 -7.850 1.00 0.00 C ATOM 528 O PHE A 36 12.557 8.833 -7.694 1.00 0.00 O ATOM 529 CB PHE A 36 10.432 6.817 -6.265 1.00 0.00 C ATOM 530 CG PHE A 36 11.408 7.350 -5.255 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.644 8.711 -5.151 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.089 6.489 -4.409 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.540 9.205 -4.222 1.00 0.00 C ATOM 534 CE2 PHE A 36 12.987 6.977 -3.478 1.00 0.00 C ATOM 535 CZ PHE A 36 13.213 8.336 -3.385 1.00 0.00 C ATOM 0 H PHE A 36 10.093 5.387 -8.257 1.00 0.00 H new ATOM 0 HA PHE A 36 10.098 8.209 -7.868 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.423 7.102 -5.969 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.471 5.728 -6.257 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.121 9.394 -5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 36 11.916 5.425 -4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.714 10.269 -4.150 1.00 0.00 H new ATOM 0 HE2 PHE A 36 13.511 6.296 -2.824 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.915 8.719 -2.659 1.00 0.00 H new ATOM 545 N LYS A 37 12.985 6.675 -8.162 1.00 0.00 N ATOM 546 CA LYS A 37 14.416 6.884 -8.346 1.00 0.00 C ATOM 547 C LYS A 37 14.745 7.138 -9.814 1.00 0.00 C ATOM 548 O LYS A 37 15.321 8.169 -10.159 1.00 0.00 O ATOM 549 CB LYS A 37 15.199 5.670 -7.840 1.00 0.00 C ATOM 550 CG LYS A 37 15.145 5.497 -6.332 1.00 0.00 C ATOM 551 CD LYS A 37 15.236 4.033 -5.935 1.00 0.00 C ATOM 552 CE LYS A 37 16.621 3.467 -6.209 1.00 0.00 C ATOM 553 NZ LYS A 37 16.911 2.277 -5.362 1.00 0.00 N ATOM 0 H LYS A 37 12.680 5.710 -8.293 1.00 0.00 H new ATOM 0 HA LYS A 37 14.706 7.762 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.806 4.771 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.240 5.765 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.963 6.051 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.217 5.922 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.001 3.927 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.491 3.458 -6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.699 3.192 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.371 4.236 -6.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.864 1.921 -5.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.861 2.545 -4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.211 1.533 -5.557 1.00 0.00 H new ATOM 567 N GLN A 38 14.373 6.193 -10.671 1.00 0.00 N ATOM 568 CA GLN A 38 14.628 6.317 -12.101 1.00 0.00 C ATOM 569 C GLN A 38 14.210 7.692 -12.612 1.00 0.00 C ATOM 570 O GLN A 38 15.017 8.424 -13.182 1.00 0.00 O ATOM 571 CB GLN A 38 13.882 5.225 -12.870 1.00 0.00 C ATOM 572 CG GLN A 38 14.616 4.745 -14.112 1.00 0.00 C ATOM 573 CD GLN A 38 14.220 5.514 -15.357 1.00 0.00 C ATOM 574 OE1 GLN A 38 14.764 6.581 -15.642 1.00 0.00 O ATOM 575 NE2 GLN A 38 13.268 4.973 -16.108 1.00 0.00 N ATOM 0 H GLN A 38 13.894 5.334 -10.400 1.00 0.00 H new ATOM 0 HA GLN A 38 15.699 6.200 -12.265 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.713 4.376 -12.207 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.902 5.602 -13.161 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.690 4.843 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 38 14.411 3.685 -14.264 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.844 4.087 -15.834 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.960 5.444 -16.959 1.00 0.00 H new ATOM 584 N ASN A 39 12.942 8.034 -12.404 1.00 0.00 N ATOM 585 CA ASN A 39 12.416 9.321 -12.845 1.00 0.00 C ATOM 586 C ASN A 39 12.529 10.363 -11.736 1.00 0.00 C ATOM 587 O ASN A 39 13.302 11.314 -11.839 1.00 0.00 O ATOM 588 CB ASN A 39 10.956 9.177 -13.278 1.00 0.00 C ATOM 589 CG ASN A 39 10.817 8.468 -14.612 1.00 0.00 C ATOM 590 OD1 ASN A 39 11.429 8.863 -15.605 1.00 0.00 O ATOM 591 ND2 ASN A 39 10.008 7.416 -14.640 1.00 0.00 N ATOM 0 H ASN A 39 12.261 7.438 -11.933 1.00 0.00 H new ATOM 0 HA ASN A 39 13.009 9.656 -13.696 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.407 8.624 -12.516 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.500 10.165 -13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 39 9.873 6.899 -15.509 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.521 7.124 -13.792 1.00 0.00 H new ATOM 598 N GLY A 40 11.751 10.176 -10.674 1.00 0.00 N ATOM 599 CA GLY A 40 11.778 11.107 -9.561 1.00 0.00 C ATOM 600 C GLY A 40 10.406 11.325 -8.954 1.00 0.00 C ATOM 601 O GLY A 40 9.410 11.419 -9.670 1.00 0.00 O ATOM 0 H GLY A 40 11.103 9.396 -10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.456 10.732 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.178 12.063 -9.900 1.00 0.00 H new ATOM 605 N GLY A 41 10.354 11.404 -7.627 1.00 0.00 N ATOM 606 CA GLY A 41 9.089 11.609 -6.946 1.00 0.00 C ATOM 607 C GLY A 41 9.209 11.460 -5.443 1.00 0.00 C ATOM 608 O GLY A 41 10.314 11.434 -4.900 1.00 0.00 O ATOM 0 H GLY A 41 11.165 11.330 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.711 12.604 -7.180 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.358 10.893 -7.322 1.00 0.00 H new ATOM 612 N LYS A 42 8.069 11.364 -4.766 1.00 0.00 N ATOM 613 CA LYS A 42 8.050 11.217 -3.316 1.00 0.00 C ATOM 614 C LYS A 42 8.818 9.972 -2.884 1.00 0.00 C ATOM 615 O LYS A 42 8.634 8.881 -3.426 1.00 0.00 O ATOM 616 CB LYS A 42 6.608 11.141 -2.809 1.00 0.00 C ATOM 617 CG LYS A 42 5.764 12.344 -3.194 1.00 0.00 C ATOM 618 CD LYS A 42 4.301 11.969 -3.357 1.00 0.00 C ATOM 619 CE LYS A 42 3.425 13.201 -3.528 1.00 0.00 C ATOM 620 NZ LYS A 42 3.338 13.998 -2.273 1.00 0.00 N ATOM 0 H LYS A 42 7.146 11.385 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 42 8.536 12.091 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.140 10.239 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.618 11.047 -1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.860 13.116 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.138 12.769 -4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.186 11.317 -4.223 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.970 11.404 -2.486 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.827 13.824 -4.327 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.425 12.896 -3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.341 14.200 -2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.758 13.459 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.855 14.893 -2.393 1.00 0.00 H new ATOM 634 N PRO A 43 9.699 10.134 -1.886 1.00 0.00 N ATOM 635 CA PRO A 43 10.510 9.033 -1.359 1.00 0.00 C ATOM 636 C PRO A 43 9.676 8.016 -0.588 1.00 0.00 C ATOM 637 O PRO A 43 10.203 7.031 -0.071 1.00 0.00 O ATOM 638 CB PRO A 43 11.496 9.736 -0.422 1.00 0.00 C ATOM 639 CG PRO A 43 10.803 10.989 -0.014 1.00 0.00 C ATOM 640 CD PRO A 43 9.970 11.406 -1.194 1.00 0.00 C ATOM 0 HA PRO A 43 10.989 8.463 -2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.732 9.115 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.438 9.951 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.179 10.822 0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.522 11.765 0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.049 11.898 -0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.504 12.107 -1.836 1.00 0.00 H new ATOM 648 N TYR A 44 8.372 8.259 -0.517 1.00 0.00 N ATOM 649 CA TYR A 44 7.465 7.365 0.193 1.00 0.00 C ATOM 650 C TYR A 44 6.328 6.910 -0.716 1.00 0.00 C ATOM 651 O TYR A 44 6.175 7.403 -1.834 1.00 0.00 O ATOM 652 CB TYR A 44 6.897 8.059 1.432 1.00 0.00 C ATOM 653 CG TYR A 44 6.228 9.381 1.132 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.942 9.427 0.607 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.881 10.583 1.372 1.00 0.00 C ATOM 656 CE1 TYR A 44 4.326 10.633 0.331 1.00 0.00 C ATOM 657 CE2 TYR A 44 6.273 11.793 1.100 1.00 0.00 C ATOM 658 CZ TYR A 44 4.996 11.813 0.580 1.00 0.00 C ATOM 659 OH TYR A 44 4.387 13.016 0.306 1.00 0.00 O ATOM 0 H TYR A 44 7.919 9.068 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 44 8.030 6.487 0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.176 7.397 1.911 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.703 8.223 2.148 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.415 8.505 0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.882 10.571 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.326 10.652 -0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.795 12.718 1.294 1.00 0.00 H new ATOM 0 HH TYR A 44 4.993 13.750 0.539 1.00 0.00 H new ATOM 669 N LEU A 45 5.531 5.965 -0.227 1.00 0.00 N ATOM 670 CA LEU A 45 4.405 5.442 -0.994 1.00 0.00 C ATOM 671 C LEU A 45 3.171 5.287 -0.111 1.00 0.00 C ATOM 672 O LEU A 45 3.245 4.733 0.985 1.00 0.00 O ATOM 673 CB LEU A 45 4.771 4.095 -1.620 1.00 0.00 C ATOM 674 CG LEU A 45 3.704 3.456 -2.508 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.870 3.907 -3.951 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.767 1.939 -2.411 1.00 0.00 C ATOM 0 H LEU A 45 5.644 5.546 0.696 1.00 0.00 H new ATOM 0 HA LEU A 45 4.175 6.153 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.677 4.226 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.013 3.398 -0.818 1.00 0.00 H new ATOM 0 HG LEU A 45 2.725 3.782 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.101 3.442 -4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.773 4.991 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.855 3.612 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.000 1.501 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.749 1.594 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.597 1.633 -1.379 1.00 0.00 H new ATOM 688 N SER A 46 2.036 5.780 -0.598 1.00 0.00 N ATOM 689 CA SER A 46 0.785 5.698 0.147 1.00 0.00 C ATOM 690 C SER A 46 0.159 4.314 0.006 1.00 0.00 C ATOM 691 O SER A 46 0.280 3.668 -1.035 1.00 0.00 O ATOM 692 CB SER A 46 -0.195 6.766 -0.342 1.00 0.00 C ATOM 693 OG SER A 46 0.381 8.059 -0.267 1.00 0.00 O ATOM 0 H SER A 46 1.957 6.240 -1.505 1.00 0.00 H new ATOM 0 HA SER A 46 1.005 5.872 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.486 6.553 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.103 6.734 0.260 1.00 0.00 H new ATOM 0 HG SER A 46 -0.264 8.724 -0.587 1.00 0.00 H new ATOM 699 N VAL A 47 -0.512 3.864 1.062 1.00 0.00 N ATOM 700 CA VAL A 47 -1.159 2.558 1.057 1.00 0.00 C ATOM 701 C VAL A 47 -2.421 2.567 1.912 1.00 0.00 C ATOM 702 O VAL A 47 -2.410 3.039 3.049 1.00 0.00 O ATOM 703 CB VAL A 47 -0.210 1.459 1.572 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.923 0.117 1.620 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.035 1.380 0.703 1.00 0.00 C ATOM 0 H VAL A 47 -0.621 4.385 1.932 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.426 2.341 0.023 1.00 0.00 H new ATOM 0 HB VAL A 47 0.098 1.716 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.237 -0.647 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.781 0.185 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.263 -0.150 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.694 0.599 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.749 1.148 -0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.556 2.337 0.726 1.00 0.00 H new ATOM 715 N ILE A 48 -3.508 2.040 1.358 1.00 0.00 N ATOM 716 CA ILE A 48 -4.779 1.986 2.070 1.00 0.00 C ATOM 717 C ILE A 48 -5.235 0.545 2.272 1.00 0.00 C ATOM 718 O ILE A 48 -5.464 -0.187 1.308 1.00 0.00 O ATOM 719 CB ILE A 48 -5.878 2.761 1.320 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.477 4.228 1.156 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.204 2.648 2.059 1.00 0.00 C ATOM 722 CD1 ILE A 48 -6.302 4.968 0.127 1.00 0.00 C ATOM 0 H ILE A 48 -3.534 1.644 0.418 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.617 2.452 3.042 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.998 2.324 0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.573 4.732 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.426 4.279 0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.971 3.201 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.493 1.599 2.129 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.098 3.063 3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.963 6.002 0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.187 4.488 -0.845 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.352 4.948 0.420 1.00 0.00 H new ATOM 734 N THR A 49 -5.367 0.143 3.532 1.00 0.00 N ATOM 735 CA THR A 49 -5.797 -1.210 3.861 1.00 0.00 C ATOM 736 C THR A 49 -7.290 -1.255 4.165 1.00 0.00 C ATOM 737 O THR A 49 -7.990 -2.177 3.751 1.00 0.00 O ATOM 738 CB THR A 49 -5.022 -1.767 5.070 1.00 0.00 C ATOM 739 OG1 THR A 49 -5.493 -1.158 6.277 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.529 -1.516 4.919 1.00 0.00 C ATOM 0 H THR A 49 -5.182 0.735 4.342 1.00 0.00 H new ATOM 0 HA THR A 49 -5.588 -1.828 2.988 1.00 0.00 H new ATOM 0 HB THR A 49 -5.191 -2.843 5.116 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.803 -0.560 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.003 -1.918 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.167 -2.006 4.015 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.346 -0.444 4.849 1.00 0.00 H new ATOM 748 N GLY A 50 -7.771 -0.250 4.891 1.00 0.00 N ATOM 749 CA GLY A 50 -9.179 -0.194 5.238 1.00 0.00 C ATOM 750 C GLY A 50 -9.689 1.228 5.362 1.00 0.00 C ATOM 751 O GLY A 50 -9.488 1.880 6.387 1.00 0.00 O ATOM 0 H GLY A 50 -7.211 0.526 5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.758 -0.720 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.339 -0.718 6.180 1.00 0.00 H new ATOM 755 N ARG A 51 -10.350 1.712 4.315 1.00 0.00 N ATOM 756 CA ARG A 51 -10.888 3.067 4.310 1.00 0.00 C ATOM 757 C ARG A 51 -12.351 3.070 3.879 1.00 0.00 C ATOM 758 O ARG A 51 -12.782 2.218 3.103 1.00 0.00 O ATOM 759 CB ARG A 51 -10.068 3.961 3.377 1.00 0.00 C ATOM 760 CG ARG A 51 -10.144 5.438 3.727 1.00 0.00 C ATOM 761 CD ARG A 51 -9.402 5.744 5.018 1.00 0.00 C ATOM 762 NE ARG A 51 -9.431 7.167 5.343 1.00 0.00 N ATOM 763 CZ ARG A 51 -8.673 8.075 4.738 1.00 0.00 C ATOM 764 NH1 ARG A 51 -7.831 7.709 3.782 1.00 0.00 N ATOM 765 NH2 ARG A 51 -8.758 9.352 5.089 1.00 0.00 N ATOM 0 H ARG A 51 -10.526 1.186 3.459 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.826 3.459 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.026 3.643 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.416 3.820 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.720 6.028 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.188 5.736 3.827 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.848 5.177 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.367 5.414 4.928 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.068 7.481 6.075 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.764 6.728 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.250 8.408 3.319 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.406 9.637 5.824 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.176 10.049 4.624 1.00 0.00 H new ATOM 779 N GLY A 52 -13.111 4.035 4.388 1.00 0.00 N ATOM 780 CA GLY A 52 -14.518 4.130 4.044 1.00 0.00 C ATOM 781 C GLY A 52 -15.398 4.347 5.259 1.00 0.00 C ATOM 782 O GLY A 52 -15.009 5.039 6.200 1.00 0.00 O ATOM 0 H GLY A 52 -12.778 4.752 5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -14.663 4.952 3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.827 3.218 3.534 1.00 0.00 H new ATOM 786 N ASN A 53 -16.588 3.756 5.239 1.00 0.00 N ATOM 787 CA ASN A 53 -17.527 3.891 6.347 1.00 0.00 C ATOM 788 C ASN A 53 -17.348 2.757 7.352 1.00 0.00 C ATOM 789 O ASN A 53 -17.615 1.594 7.047 1.00 0.00 O ATOM 790 CB ASN A 53 -18.966 3.903 5.825 1.00 0.00 C ATOM 791 CG ASN A 53 -19.970 3.505 6.890 1.00 0.00 C ATOM 792 OD1 ASN A 53 -20.141 4.204 7.889 1.00 0.00 O ATOM 793 ND2 ASN A 53 -20.640 2.378 6.680 1.00 0.00 N ATOM 0 H ASN A 53 -16.925 3.179 4.468 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.323 4.836 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -19.208 4.900 5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -19.048 3.221 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -21.329 2.060 7.361 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -20.466 1.830 5.837 1.00 0.00 H new ATOM 800 N HIS A 54 -16.896 3.104 8.553 1.00 0.00 N ATOM 801 CA HIS A 54 -16.683 2.116 9.605 1.00 0.00 C ATOM 802 C HIS A 54 -17.766 2.219 10.675 1.00 0.00 C ATOM 803 O HIS A 54 -18.131 3.315 11.099 1.00 0.00 O ATOM 804 CB HIS A 54 -15.304 2.304 10.238 1.00 0.00 C ATOM 805 CG HIS A 54 -14.174 1.900 9.343 1.00 0.00 C ATOM 806 ND1 HIS A 54 -13.334 2.808 8.734 1.00 0.00 N ATOM 807 CD2 HIS A 54 -13.745 0.676 8.956 1.00 0.00 C ATOM 808 CE1 HIS A 54 -12.439 2.161 8.010 1.00 0.00 C ATOM 809 NE2 HIS A 54 -12.666 0.865 8.128 1.00 0.00 N ATOM 0 H HIS A 54 -16.670 4.062 8.822 1.00 0.00 H new ATOM 0 HA HIS A 54 -16.736 1.125 9.155 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.180 3.351 10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -15.253 1.722 11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -14.172 -0.273 9.245 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.655 2.614 7.422 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.127 0.125 7.677 1.00 0.00 H new ATOM 817 N SER A 55 -18.276 1.069 11.106 1.00 0.00 N ATOM 818 CA SER A 55 -19.320 1.030 12.123 1.00 0.00 C ATOM 819 C SER A 55 -18.932 0.096 13.265 1.00 0.00 C ATOM 820 O SER A 55 -18.676 -1.088 13.051 1.00 0.00 O ATOM 821 CB SER A 55 -20.645 0.577 11.506 1.00 0.00 C ATOM 822 OG SER A 55 -21.677 0.553 12.477 1.00 0.00 O ATOM 0 H SER A 55 -17.983 0.153 10.767 1.00 0.00 H new ATOM 0 HA SER A 55 -19.439 2.036 12.525 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.921 1.250 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 55 -20.527 -0.416 11.071 1.00 0.00 H new ATOM 0 HG SER A 55 -22.514 0.262 12.058 1.00 0.00 H new ATOM 828 N GLN A 56 -18.889 0.640 14.477 1.00 0.00 N ATOM 829 CA GLN A 56 -18.531 -0.144 15.653 1.00 0.00 C ATOM 830 C GLN A 56 -17.075 -0.593 15.585 1.00 0.00 C ATOM 831 O GLN A 56 -16.731 -1.688 16.030 1.00 0.00 O ATOM 832 CB GLN A 56 -19.447 -1.362 15.778 1.00 0.00 C ATOM 833 CG GLN A 56 -19.656 -1.822 17.212 1.00 0.00 C ATOM 834 CD GLN A 56 -20.209 -0.725 18.101 1.00 0.00 C ATOM 835 OE1 GLN A 56 -19.457 0.064 18.674 1.00 0.00 O ATOM 836 NE2 GLN A 56 -21.530 -0.670 18.222 1.00 0.00 N ATOM 0 H GLN A 56 -19.097 1.620 14.670 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.657 0.488 16.532 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -20.415 -1.125 15.337 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.026 -2.184 15.199 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.339 -2.671 17.221 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.707 -2.171 17.620 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -22.116 -1.344 17.729 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -21.959 0.046 18.808 1.00 0.00 H new ATOM 845 N GLY A 57 -16.223 0.260 15.025 1.00 0.00 N ATOM 846 CA GLY A 57 -14.814 -0.067 14.909 1.00 0.00 C ATOM 847 C GLY A 57 -14.433 -0.503 13.508 1.00 0.00 C ATOM 848 O GLY A 57 -14.330 0.322 12.601 1.00 0.00 O ATOM 0 H GLY A 57 -16.483 1.172 14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.218 0.801 15.190 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.570 -0.863 15.613 1.00 0.00 H new ATOM 852 N GLY A 58 -14.223 -1.804 13.331 1.00 0.00 N ATOM 853 CA GLY A 58 -13.852 -2.325 12.029 1.00 0.00 C ATOM 854 C GLY A 58 -12.589 -3.161 12.077 1.00 0.00 C ATOM 855 O GLY A 58 -11.489 -2.630 12.235 1.00 0.00 O ATOM 0 H GLY A 58 -14.303 -2.506 14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.670 -2.930 11.637 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -13.709 -1.495 11.337 1.00 0.00 H new ATOM 859 N VAL A 59 -12.745 -4.474 11.942 1.00 0.00 N ATOM 860 CA VAL A 59 -11.608 -5.386 11.971 1.00 0.00 C ATOM 861 C VAL A 59 -11.105 -5.684 10.563 1.00 0.00 C ATOM 862 O VAL A 59 -11.894 -5.829 9.629 1.00 0.00 O ATOM 863 CB VAL A 59 -11.970 -6.712 12.666 1.00 0.00 C ATOM 864 CG1 VAL A 59 -12.348 -6.468 14.119 1.00 0.00 C ATOM 865 CG2 VAL A 59 -13.098 -7.412 11.923 1.00 0.00 C ATOM 0 H VAL A 59 -13.648 -4.930 11.811 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.820 -4.890 12.537 1.00 0.00 H new ATOM 0 HB VAL A 59 -11.095 -7.362 12.648 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -12.601 -7.416 14.593 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.507 -6.013 14.642 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -13.208 -5.800 14.164 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -13.341 -8.347 12.428 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.978 -6.769 11.908 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.785 -7.622 10.900 1.00 0.00 H new ATOM 875 N ALA A 60 -9.787 -5.774 10.418 1.00 0.00 N ATOM 876 CA ALA A 60 -9.179 -6.057 9.124 1.00 0.00 C ATOM 877 C ALA A 60 -8.031 -7.051 9.262 1.00 0.00 C ATOM 878 O ALA A 60 -7.303 -7.038 10.255 1.00 0.00 O ATOM 879 CB ALA A 60 -8.690 -4.769 8.477 1.00 0.00 C ATOM 0 H ALA A 60 -9.120 -5.655 11.181 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.939 -6.506 8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.238 -4.996 7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.532 -4.091 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.949 -4.296 9.122 1.00 0.00 H new ATOM 885 N ARG A 61 -7.874 -7.911 8.261 1.00 0.00 N ATOM 886 CA ARG A 61 -6.816 -8.913 8.273 1.00 0.00 C ATOM 887 C ARG A 61 -5.688 -8.524 7.321 1.00 0.00 C ATOM 888 O ARG A 61 -4.623 -9.141 7.320 1.00 0.00 O ATOM 889 CB ARG A 61 -7.376 -10.282 7.885 1.00 0.00 C ATOM 890 CG ARG A 61 -8.078 -10.999 9.027 1.00 0.00 C ATOM 891 CD ARG A 61 -8.056 -12.507 8.836 1.00 0.00 C ATOM 892 NE ARG A 61 -8.861 -13.198 9.839 1.00 0.00 N ATOM 893 CZ ARG A 61 -8.772 -14.501 10.083 1.00 0.00 C ATOM 894 NH1 ARG A 61 -7.917 -15.250 9.401 1.00 0.00 N ATOM 895 NH2 ARG A 61 -9.540 -15.057 11.012 1.00 0.00 N ATOM 0 H ARG A 61 -8.467 -7.934 7.431 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.413 -8.967 9.284 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.077 -10.158 7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.562 -10.908 7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.595 -10.744 9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.110 -10.655 9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.428 -12.752 7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.027 -12.864 8.888 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.528 -12.650 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.325 -14.826 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.851 -16.250 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.199 -14.484 11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.471 -16.057 11.199 1.00 0.00 H new ATOM 909 N ILE A 62 -5.932 -7.498 6.512 1.00 0.00 N ATOM 910 CA ILE A 62 -4.937 -7.027 5.556 1.00 0.00 C ATOM 911 C ILE A 62 -3.840 -6.230 6.252 1.00 0.00 C ATOM 912 O ILE A 62 -2.691 -6.667 6.326 1.00 0.00 O ATOM 913 CB ILE A 62 -5.578 -6.152 4.463 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.698 -6.918 3.756 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.525 -5.699 3.462 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.522 -6.059 2.823 1.00 0.00 C ATOM 0 H ILE A 62 -6.809 -6.978 6.500 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.501 -7.912 5.092 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.009 -5.268 4.933 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.263 -7.741 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.355 -7.359 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.993 -5.081 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.759 -5.119 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.067 -6.571 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.297 -6.668 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.986 -5.251 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.877 -5.639 2.051 1.00 0.00 H new ATOM 928 N LYS A 63 -4.201 -5.058 6.764 1.00 0.00 N ATOM 929 CA LYS A 63 -3.249 -4.199 7.458 1.00 0.00 C ATOM 930 C LYS A 63 -2.299 -5.025 8.319 1.00 0.00 C ATOM 931 O LYS A 63 -1.077 -4.901 8.233 1.00 0.00 O ATOM 932 CB LYS A 63 -3.989 -3.181 8.328 1.00 0.00 C ATOM 933 CG LYS A 63 -3.300 -2.897 9.651 1.00 0.00 C ATOM 934 CD LYS A 63 -4.007 -1.795 10.423 1.00 0.00 C ATOM 935 CE LYS A 63 -3.035 -1.012 11.293 1.00 0.00 C ATOM 936 NZ LYS A 63 -2.786 -1.691 12.595 1.00 0.00 N ATOM 0 H LYS A 63 -5.147 -4.681 6.711 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.663 -3.668 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.091 -2.248 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.997 -3.547 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.276 -3.806 10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.265 -2.608 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.499 -1.118 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.787 -2.230 11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.091 -0.888 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.433 -0.014 11.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.068 -1.162 13.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.670 -1.727 13.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.446 -2.659 12.422 1.00 0.00 H new ATOM 950 N PRO A 64 -2.871 -5.890 9.170 1.00 0.00 N ATOM 951 CA PRO A 64 -2.093 -6.755 10.062 1.00 0.00 C ATOM 952 C PRO A 64 -0.962 -7.473 9.333 1.00 0.00 C ATOM 953 O PRO A 64 0.209 -7.319 9.679 1.00 0.00 O ATOM 954 CB PRO A 64 -3.126 -7.763 10.570 1.00 0.00 C ATOM 955 CG PRO A 64 -4.431 -7.049 10.472 1.00 0.00 C ATOM 956 CD PRO A 64 -4.321 -6.091 9.326 1.00 0.00 C ATOM 0 HA PRO A 64 -1.605 -6.188 10.855 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -3.125 -8.670 9.966 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.915 -8.063 11.596 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.245 -7.755 10.308 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.651 -6.518 11.398 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.767 -6.500 8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.834 -5.153 9.539 1.00 0.00 H new ATOM 964 N ALA A 65 -1.321 -8.257 8.321 1.00 0.00 N ATOM 965 CA ALA A 65 -0.336 -8.996 7.542 1.00 0.00 C ATOM 966 C ALA A 65 0.734 -8.064 6.983 1.00 0.00 C ATOM 967 O ALA A 65 1.928 -8.354 7.065 1.00 0.00 O ATOM 968 CB ALA A 65 -1.018 -9.756 6.414 1.00 0.00 C ATOM 0 H ALA A 65 -2.286 -8.396 8.022 1.00 0.00 H new ATOM 0 HA ALA A 65 0.152 -9.711 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.270 -10.304 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.740 -10.458 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.533 -9.052 5.760 1.00 0.00 H new ATOM 974 N VAL A 66 0.299 -6.945 6.414 1.00 0.00 N ATOM 975 CA VAL A 66 1.220 -5.970 5.842 1.00 0.00 C ATOM 976 C VAL A 66 2.280 -5.555 6.856 1.00 0.00 C ATOM 977 O VAL A 66 3.476 -5.569 6.560 1.00 0.00 O ATOM 978 CB VAL A 66 0.475 -4.714 5.352 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.461 -3.668 4.855 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.523 -5.079 4.263 1.00 0.00 C ATOM 0 H VAL A 66 -0.686 -6.691 6.337 1.00 0.00 H new ATOM 0 HA VAL A 66 1.703 -6.452 4.992 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.076 -4.288 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.916 -2.788 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.132 -3.387 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.042 -4.079 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.041 -4.180 3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.005 -5.529 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.249 -5.790 4.658 1.00 0.00 H new ATOM 990 N ILE A 67 1.835 -5.186 8.052 1.00 0.00 N ATOM 991 CA ILE A 67 2.746 -4.768 9.110 1.00 0.00 C ATOM 992 C ILE A 67 3.808 -5.831 9.373 1.00 0.00 C ATOM 993 O ILE A 67 4.988 -5.520 9.533 1.00 0.00 O ATOM 994 CB ILE A 67 1.992 -4.478 10.421 1.00 0.00 C ATOM 995 CG1 ILE A 67 0.957 -3.371 10.204 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.969 -4.089 11.520 1.00 0.00 C ATOM 997 CD1 ILE A 67 -0.033 -3.239 11.341 1.00 0.00 C ATOM 0 H ILE A 67 0.849 -5.168 8.313 1.00 0.00 H new ATOM 0 HA ILE A 67 3.228 -3.852 8.767 1.00 0.00 H new ATOM 0 HB ILE A 67 1.470 -5.383 10.731 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.475 -2.421 10.072 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.413 -3.569 9.280 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.420 -3.887 12.440 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.671 -4.905 11.688 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.516 -3.195 11.221 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.736 -2.436 11.120 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.578 -4.176 11.460 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.501 -3.010 12.263 1.00 0.00 H new ATOM 1009 N LYS A 68 3.380 -7.089 9.415 1.00 0.00 N ATOM 1010 CA LYS A 68 4.293 -8.200 9.655 1.00 0.00 C ATOM 1011 C LYS A 68 5.352 -8.280 8.560 1.00 0.00 C ATOM 1012 O LYS A 68 6.540 -8.436 8.843 1.00 0.00 O ATOM 1013 CB LYS A 68 3.517 -9.517 9.727 1.00 0.00 C ATOM 1014 CG LYS A 68 4.301 -10.650 10.367 1.00 0.00 C ATOM 1015 CD LYS A 68 3.781 -12.007 9.924 1.00 0.00 C ATOM 1016 CE LYS A 68 4.686 -13.133 10.401 1.00 0.00 C ATOM 1017 NZ LYS A 68 4.593 -13.334 11.874 1.00 0.00 N ATOM 0 H LYS A 68 2.406 -7.364 9.286 1.00 0.00 H new ATOM 0 HA LYS A 68 4.794 -8.028 10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.598 -9.358 10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.225 -9.812 8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.355 -10.559 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.236 -10.571 11.452 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.775 -12.157 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.708 -12.033 8.837 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.415 -14.057 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.718 -12.909 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.224 -14.110 12.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.876 -12.460 12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.614 -13.573 12.131 1.00 0.00 H new ATOM 1031 N TYR A 69 4.914 -8.172 7.311 1.00 0.00 N ATOM 1032 CA TYR A 69 5.824 -8.234 6.174 1.00 0.00 C ATOM 1033 C TYR A 69 6.795 -7.056 6.188 1.00 0.00 C ATOM 1034 O TYR A 69 8.002 -7.230 6.020 1.00 0.00 O ATOM 1035 CB TYR A 69 5.036 -8.243 4.863 1.00 0.00 C ATOM 1036 CG TYR A 69 5.906 -8.118 3.632 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.355 -6.878 3.197 1.00 0.00 C ATOM 1038 CD2 TYR A 69 6.280 -9.242 2.906 1.00 0.00 C ATOM 1039 CE1 TYR A 69 7.150 -6.759 2.073 1.00 0.00 C ATOM 1040 CE2 TYR A 69 7.076 -9.133 1.781 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.507 -7.890 1.369 1.00 0.00 C ATOM 1042 OH TYR A 69 8.300 -7.776 0.250 1.00 0.00 O ATOM 0 H TYR A 69 3.934 -8.041 7.060 1.00 0.00 H new ATOM 0 HA TYR A 69 6.399 -9.157 6.251 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.463 -9.168 4.800 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.318 -7.423 4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.078 -5.991 3.747 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.943 -10.217 3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.490 -5.787 1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.359 -10.017 1.228 1.00 0.00 H new ATOM 0 HH TYR A 69 8.076 -8.489 -0.384 1.00 0.00 H new ATOM 1052 N LEU A 70 6.258 -5.859 6.392 1.00 0.00 N ATOM 1053 CA LEU A 70 7.075 -4.651 6.430 1.00 0.00 C ATOM 1054 C LEU A 70 8.188 -4.778 7.466 1.00 0.00 C ATOM 1055 O LEU A 70 9.371 -4.728 7.129 1.00 0.00 O ATOM 1056 CB LEU A 70 6.205 -3.433 6.747 1.00 0.00 C ATOM 1057 CG LEU A 70 5.141 -3.079 5.707 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.193 -2.022 6.251 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.793 -2.601 4.418 1.00 0.00 C ATOM 0 H LEU A 70 5.261 -5.698 6.534 1.00 0.00 H new ATOM 0 HA LEU A 70 7.531 -4.520 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.708 -3.605 7.702 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.857 -2.570 6.878 1.00 0.00 H new ATOM 0 HG LEU A 70 4.563 -3.977 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.443 -1.783 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.700 -2.402 7.146 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.756 -1.123 6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.021 -2.354 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.396 -1.716 4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.430 -3.390 4.018 1.00 0.00 H new ATOM 1071 N ILE A 71 7.800 -4.945 8.725 1.00 0.00 N ATOM 1072 CA ILE A 71 8.765 -5.083 9.809 1.00 0.00 C ATOM 1073 C ILE A 71 9.844 -6.101 9.458 1.00 0.00 C ATOM 1074 O ILE A 71 11.035 -5.846 9.639 1.00 0.00 O ATOM 1075 CB ILE A 71 8.080 -5.510 11.121 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.024 -4.481 11.529 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.112 -5.683 12.225 1.00 0.00 C ATOM 1078 CD1 ILE A 71 5.945 -5.046 12.427 1.00 0.00 C ATOM 0 H ILE A 71 6.825 -4.988 9.020 1.00 0.00 H new ATOM 0 HA ILE A 71 9.224 -4.104 9.950 1.00 0.00 H new ATOM 0 HB ILE A 71 7.584 -6.467 10.960 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.514 -3.653 12.040 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.561 -4.072 10.631 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.613 -5.985 13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.831 -6.449 11.934 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.633 -4.739 12.387 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.231 -4.261 12.676 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.429 -5.855 11.911 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.397 -5.429 13.342 1.00 0.00 H new ATOM 1090 N SER A 72 9.420 -7.255 8.953 1.00 0.00 N ATOM 1091 CA SER A 72 10.350 -8.313 8.577 1.00 0.00 C ATOM 1092 C SER A 72 11.469 -7.765 7.696 1.00 0.00 C ATOM 1093 O SER A 72 12.651 -7.940 7.993 1.00 0.00 O ATOM 1094 CB SER A 72 9.611 -9.435 7.844 1.00 0.00 C ATOM 1095 OG SER A 72 10.523 -10.341 7.247 1.00 0.00 O ATOM 0 H SER A 72 8.438 -7.481 8.795 1.00 0.00 H new ATOM 0 HA SER A 72 10.792 -8.715 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.968 -9.969 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.963 -9.008 7.078 1.00 0.00 H new ATOM 0 HG SER A 72 10.026 -11.049 6.786 1.00 0.00 H new ATOM 1101 N HIS A 73 11.087 -7.102 6.609 1.00 0.00 N ATOM 1102 CA HIS A 73 12.056 -6.527 5.683 1.00 0.00 C ATOM 1103 C HIS A 73 12.629 -5.226 6.236 1.00 0.00 C ATOM 1104 O HIS A 73 13.420 -4.553 5.573 1.00 0.00 O ATOM 1105 CB HIS A 73 11.407 -6.275 4.323 1.00 0.00 C ATOM 1106 CG HIS A 73 10.909 -7.520 3.656 1.00 0.00 C ATOM 1107 ND1 HIS A 73 11.259 -7.878 2.371 1.00 0.00 N ATOM 1108 CD2 HIS A 73 10.085 -8.496 4.105 1.00 0.00 C ATOM 1109 CE1 HIS A 73 10.670 -9.018 2.058 1.00 0.00 C ATOM 1110 NE2 HIS A 73 9.952 -9.414 3.093 1.00 0.00 N ATOM 0 H HIS A 73 10.113 -6.950 6.348 1.00 0.00 H new ATOM 0 HA HIS A 73 12.872 -7.240 5.560 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.574 -5.583 4.450 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.130 -5.787 3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.619 -8.543 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.760 -9.538 1.116 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.390 -10.264 3.134 1.00 0.00 H new ATOM 1118 N SER A 74 12.225 -4.876 7.453 1.00 0.00 N ATOM 1119 CA SER A 74 12.695 -3.653 8.092 1.00 0.00 C ATOM 1120 C SER A 74 12.238 -2.423 7.314 1.00 0.00 C ATOM 1121 O SER A 74 13.017 -1.499 7.078 1.00 0.00 O ATOM 1122 CB SER A 74 14.221 -3.663 8.203 1.00 0.00 C ATOM 1123 OG SER A 74 14.667 -4.749 8.996 1.00 0.00 O ATOM 0 H SER A 74 11.573 -5.422 8.016 1.00 0.00 H new ATOM 0 HA SER A 74 12.266 -3.608 9.093 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.661 -3.730 7.208 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.563 -2.725 8.640 1.00 0.00 H new ATOM 0 HG SER A 74 15.645 -4.734 9.050 1.00 0.00 H new ATOM 1129 N PHE A 75 10.970 -2.419 6.916 1.00 0.00 N ATOM 1130 CA PHE A 75 10.409 -1.304 6.163 1.00 0.00 C ATOM 1131 C PHE A 75 9.843 -0.242 7.102 1.00 0.00 C ATOM 1132 O PHE A 75 8.928 -0.511 7.880 1.00 0.00 O ATOM 1133 CB PHE A 75 9.313 -1.800 5.217 1.00 0.00 C ATOM 1134 CG PHE A 75 9.826 -2.205 3.865 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.488 -1.293 3.059 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.647 -3.498 3.401 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.960 -1.663 1.814 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.118 -3.874 2.157 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.776 -2.955 1.363 1.00 0.00 C ATOM 0 H PHE A 75 10.312 -3.176 7.103 1.00 0.00 H new ATOM 0 HA PHE A 75 11.211 -0.855 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.807 -2.650 5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.568 -1.014 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.637 -0.282 3.408 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.134 -4.220 4.018 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.472 -0.942 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.972 -4.885 1.806 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.146 -3.247 0.391 1.00 0.00 H new ATOM 1149 N ARG A 76 10.396 0.964 7.024 1.00 0.00 N ATOM 1150 CA ARG A 76 9.949 2.065 7.868 1.00 0.00 C ATOM 1151 C ARG A 76 8.591 2.587 7.407 1.00 0.00 C ATOM 1152 O ARG A 76 8.333 2.703 6.209 1.00 0.00 O ATOM 1153 CB ARG A 76 10.976 3.199 7.849 1.00 0.00 C ATOM 1154 CG ARG A 76 10.955 4.060 9.102 1.00 0.00 C ATOM 1155 CD ARG A 76 11.768 3.432 10.223 1.00 0.00 C ATOM 1156 NE ARG A 76 11.011 2.409 10.940 1.00 0.00 N ATOM 1157 CZ ARG A 76 11.571 1.499 11.730 1.00 0.00 C ATOM 1158 NH1 ARG A 76 12.885 1.486 11.904 1.00 0.00 N ATOM 1159 NH2 ARG A 76 10.815 0.601 12.349 1.00 0.00 N ATOM 0 H ARG A 76 11.154 1.203 6.385 1.00 0.00 H new ATOM 0 HA ARG A 76 9.849 1.691 8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.972 2.774 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.791 3.831 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.353 5.048 8.872 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.925 4.199 9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.674 2.990 9.810 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.082 4.207 10.922 1.00 0.00 H new ATOM 0 HE ARG A 76 9.997 2.392 10.828 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.469 2.176 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.312 0.786 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.803 0.609 12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.246 -0.097 12.955 1.00 0.00 H new ATOM 1173 N PHE A 77 7.726 2.898 8.367 1.00 0.00 N ATOM 1174 CA PHE A 77 6.394 3.406 8.060 1.00 0.00 C ATOM 1175 C PHE A 77 5.782 4.097 9.275 1.00 0.00 C ATOM 1176 O PHE A 77 6.178 3.843 10.412 1.00 0.00 O ATOM 1177 CB PHE A 77 5.485 2.266 7.596 1.00 0.00 C ATOM 1178 CG PHE A 77 5.161 1.279 8.681 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.153 0.483 9.231 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.864 1.146 9.150 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.858 -0.426 10.230 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.563 0.239 10.148 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.561 -0.549 10.688 1.00 0.00 C ATOM 0 H PHE A 77 7.924 2.807 9.364 1.00 0.00 H new ATOM 0 HA PHE A 77 6.487 4.137 7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.557 2.686 7.209 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.966 1.742 6.770 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.169 0.574 8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.079 1.758 8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.641 -1.039 10.652 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.548 0.146 10.506 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.327 -1.260 11.467 1.00 0.00 H new ATOM 1193 N SER A 78 4.814 4.973 9.024 1.00 0.00 N ATOM 1194 CA SER A 78 4.150 5.705 10.097 1.00 0.00 C ATOM 1195 C SER A 78 2.647 5.791 9.845 1.00 0.00 C ATOM 1196 O SER A 78 2.202 5.863 8.700 1.00 0.00 O ATOM 1197 CB SER A 78 4.739 7.111 10.224 1.00 0.00 C ATOM 1198 OG SER A 78 5.994 7.081 10.880 1.00 0.00 O ATOM 0 H SER A 78 4.472 5.193 8.088 1.00 0.00 H new ATOM 0 HA SER A 78 4.315 5.165 11.029 1.00 0.00 H new ATOM 0 HB2 SER A 78 4.853 7.551 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.050 7.748 10.779 1.00 0.00 H new ATOM 0 HG SER A 78 6.350 7.992 10.947 1.00 0.00 H new ATOM 1204 N GLU A 79 1.872 5.784 10.925 1.00 0.00 N ATOM 1205 CA GLU A 79 0.419 5.861 10.822 1.00 0.00 C ATOM 1206 C GLU A 79 -0.060 7.304 10.945 1.00 0.00 C ATOM 1207 O GLU A 79 -0.084 7.870 12.038 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.237 5.000 11.904 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.714 4.740 11.662 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.279 3.678 12.586 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -1.817 2.521 12.512 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.183 4.006 13.383 1.00 0.00 O ATOM 0 H GLU A 79 2.225 5.726 11.880 1.00 0.00 H new ATOM 0 HA GLU A 79 0.129 5.483 9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.286 4.046 11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.117 5.491 12.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.269 5.668 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.860 4.431 10.627 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.439 7.894 9.816 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.917 9.270 9.796 1.00 0.00 C ATOM 1221 C ILE A 80 -2.439 9.325 9.877 1.00 0.00 C ATOM 1222 O ILE A 80 -3.011 10.296 10.371 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.455 10.009 8.527 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.922 9.261 7.276 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.059 10.162 8.524 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.912 10.111 6.025 1.00 0.00 C ATOM 0 H ILE A 80 -0.424 7.440 8.903 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.491 9.764 10.669 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.901 11.003 8.521 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.281 8.393 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.932 8.886 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.370 10.686 7.620 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.369 10.733 9.399 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.524 9.177 8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.254 9.516 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.575 10.965 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.101 10.465 5.834 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.089 8.273 9.390 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.545 8.198 9.410 1.00 0.00 C ATOM 1240 C LYS A 81 -5.013 6.824 9.878 1.00 0.00 C ATOM 1241 O LYS A 81 -4.320 5.819 9.721 1.00 0.00 O ATOM 1242 CB LYS A 81 -5.110 8.494 8.018 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.584 9.782 7.409 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.472 10.965 7.754 1.00 0.00 C ATOM 1245 CE LYS A 81 -5.424 12.033 6.672 1.00 0.00 C ATOM 1246 NZ LYS A 81 -5.859 13.362 7.184 1.00 0.00 N ATOM 0 H LYS A 81 -2.630 7.461 8.977 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.913 8.946 10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.870 7.664 7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.197 8.549 8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.572 9.969 7.768 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.523 9.675 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.499 10.624 7.885 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.155 11.394 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.409 12.109 6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.064 11.737 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.812 14.062 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.836 13.296 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.233 13.657 7.960 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.218 6.776 10.467 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.805 5.531 10.968 1.00 0.00 C ATOM 1262 C PRO A 82 -7.210 4.586 9.841 1.00 0.00 C ATOM 1263 O PRO A 82 -7.766 3.516 10.085 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.040 6.005 11.737 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.398 7.309 11.111 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.099 7.935 10.687 1.00 0.00 C ATOM 0 HA PRO A 82 -6.100 4.964 11.575 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.857 5.288 11.654 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.825 6.122 12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.058 7.163 10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.927 7.949 11.817 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.216 8.529 9.780 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.704 8.600 11.455 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.926 4.989 8.606 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.267 4.166 7.461 1.00 0.00 C ATOM 1276 C GLY A 83 -6.269 4.306 6.329 1.00 0.00 C ATOM 1277 O GLY A 83 -6.612 4.109 5.162 1.00 0.00 O ATOM 0 H GLY A 83 -6.466 5.871 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.317 3.122 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.259 4.440 7.103 1.00 0.00 H new ATOM 1281 N CYS A 84 -5.032 4.647 6.672 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.981 4.816 5.675 1.00 0.00 C ATOM 1283 C CYS A 84 -2.617 4.462 6.258 1.00 0.00 C ATOM 1284 O CYS A 84 -2.416 4.516 7.472 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.969 6.253 5.153 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.346 6.421 3.464 1.00 0.00 S ATOM 0 H CYS A 84 -4.732 4.812 7.633 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.189 4.139 4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.982 6.652 5.196 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.357 6.864 5.817 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.955 5.260 3.028 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.682 4.099 5.386 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.336 3.735 5.814 1.00 0.00 C ATOM 1294 C LEU A 85 0.712 4.328 4.879 1.00 0.00 C ATOM 1295 O LEU A 85 0.580 4.260 3.656 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.190 2.213 5.863 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.746 1.525 7.110 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.699 0.013 6.951 1.00 0.00 C ATOM 1299 CD2 LEU A 85 0.028 1.956 8.347 1.00 0.00 C ATOM 0 H LEU A 85 -1.832 4.049 4.378 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.176 4.142 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.686 1.792 4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.868 1.967 5.778 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.786 1.825 7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.099 -0.460 7.848 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.297 -0.281 6.089 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.333 -0.305 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.382 1.456 9.225 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.078 1.685 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.057 3.036 8.471 1.00 0.00 H new ATOM 1311 N LYS A 86 1.755 4.910 5.461 1.00 0.00 N ATOM 1312 CA LYS A 86 2.830 5.513 4.681 1.00 0.00 C ATOM 1313 C LYS A 86 4.136 4.748 4.871 1.00 0.00 C ATOM 1314 O LYS A 86 4.585 4.538 5.997 1.00 0.00 O ATOM 1315 CB LYS A 86 3.020 6.977 5.083 1.00 0.00 C ATOM 1316 CG LYS A 86 4.236 7.629 4.448 1.00 0.00 C ATOM 1317 CD LYS A 86 4.718 8.820 5.259 1.00 0.00 C ATOM 1318 CE LYS A 86 5.576 9.755 4.421 1.00 0.00 C ATOM 1319 NZ LYS A 86 6.561 10.500 5.253 1.00 0.00 N ATOM 0 H LYS A 86 1.879 4.977 6.471 1.00 0.00 H new ATOM 0 HA LYS A 86 2.552 5.465 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.129 7.540 4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.110 7.039 6.168 1.00 0.00 H new ATOM 0 HG2 LYS A 86 5.039 6.897 4.362 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.990 7.952 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.860 9.366 5.651 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.292 8.469 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.104 9.179 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.935 10.463 3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.126 11.126 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 6.056 11.069 5.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.189 9.825 5.734 1.00 0.00 H new ATOM 1333 N VAL A 87 4.741 4.336 3.762 1.00 0.00 N ATOM 1334 CA VAL A 87 5.997 3.597 3.807 1.00 0.00 C ATOM 1335 C VAL A 87 7.119 4.377 3.131 1.00 0.00 C ATOM 1336 O VAL A 87 6.939 4.926 2.044 1.00 0.00 O ATOM 1337 CB VAL A 87 5.863 2.220 3.128 1.00 0.00 C ATOM 1338 CG1 VAL A 87 7.159 1.433 3.256 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.698 1.444 3.724 1.00 0.00 C ATOM 0 H VAL A 87 4.382 4.501 2.822 1.00 0.00 H new ATOM 0 HA VAL A 87 6.241 3.453 4.859 1.00 0.00 H new ATOM 0 HB VAL A 87 5.663 2.375 2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.045 0.464 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.969 1.985 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.393 1.286 4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.618 0.474 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.866 1.298 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.774 2.003 3.576 1.00 0.00 H new ATOM 1349 N MET A 88 8.277 4.422 3.781 1.00 0.00 N ATOM 1350 CA MET A 88 9.429 5.135 3.242 1.00 0.00 C ATOM 1351 C MET A 88 10.203 4.255 2.265 1.00 0.00 C ATOM 1352 O MET A 88 10.760 3.226 2.649 1.00 0.00 O ATOM 1353 CB MET A 88 10.349 5.592 4.375 1.00 0.00 C ATOM 1354 CG MET A 88 9.656 6.471 5.404 1.00 0.00 C ATOM 1355 SD MET A 88 10.809 7.521 6.310 1.00 0.00 S ATOM 1356 CE MET A 88 10.633 9.064 5.419 1.00 0.00 C ATOM 0 H MET A 88 8.443 3.973 4.682 1.00 0.00 H new ATOM 0 HA MET A 88 9.065 6.011 2.705 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.759 4.715 4.876 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.191 6.139 3.950 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.917 7.097 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.114 5.840 6.109 1.00 0.00 H new ATOM 0 HE1 MET A 88 11.286 9.816 5.862 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.908 8.915 4.375 1.00 0.00 H new ATOM 0 HE3 MET A 88 9.598 9.402 5.477 1.00 0.00 H new ATOM 1366 N LEU A 89 10.235 4.667 1.003 1.00 0.00 N ATOM 1367 CA LEU A 89 10.942 3.916 -0.029 1.00 0.00 C ATOM 1368 C LEU A 89 12.448 4.137 0.071 1.00 0.00 C ATOM 1369 O LEU A 89 12.927 5.268 -0.015 1.00 0.00 O ATOM 1370 CB LEU A 89 10.446 4.327 -1.417 1.00 0.00 C ATOM 1371 CG LEU A 89 8.976 4.033 -1.719 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.595 4.569 -3.090 1.00 0.00 C ATOM 1373 CD2 LEU A 89 8.703 2.538 -1.634 1.00 0.00 C ATOM 0 H LEU A 89 9.780 5.517 0.669 1.00 0.00 H new ATOM 0 HA LEU A 89 10.738 2.856 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.614 5.397 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.058 3.821 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 89 8.363 4.537 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.546 4.350 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.752 5.647 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 89 9.214 4.094 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.652 2.347 -1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.325 2.013 -2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.936 2.182 -0.630 1.00 0.00 H new ATOM 1385 N LYS A 90 13.189 3.049 0.251 1.00 0.00 N ATOM 1386 CA LYS A 90 14.641 3.122 0.360 1.00 0.00 C ATOM 1387 C LYS A 90 15.236 3.895 -0.813 1.00 0.00 C ATOM 1388 O LYS A 90 14.920 3.624 -1.972 1.00 0.00 O ATOM 1389 CB LYS A 90 15.241 1.715 0.414 1.00 0.00 C ATOM 1390 CG LYS A 90 14.768 0.899 1.605 1.00 0.00 C ATOM 1391 CD LYS A 90 14.763 -0.589 1.294 1.00 0.00 C ATOM 1392 CE LYS A 90 14.245 -1.402 2.470 1.00 0.00 C ATOM 1393 NZ LYS A 90 15.179 -1.358 3.629 1.00 0.00 N ATOM 0 H LYS A 90 12.808 2.106 0.325 1.00 0.00 H new ATOM 0 HA LYS A 90 14.885 3.650 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.986 1.185 -0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 90 16.328 1.793 0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.417 1.091 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.764 1.216 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 90 14.141 -0.777 0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.773 -0.913 1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.270 -1.020 2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.099 -2.437 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.861 -2.029 4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.136 -1.617 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.194 -0.397 4.027 1.00 0.00 H new ATOM 1407 N SER A 91 16.101 4.857 -0.505 1.00 0.00 N ATOM 1408 CA SER A 91 16.738 5.669 -1.534 1.00 0.00 C ATOM 1409 C SER A 91 17.948 4.950 -2.123 1.00 0.00 C ATOM 1410 O SER A 91 18.365 3.904 -1.627 1.00 0.00 O ATOM 1411 CB SER A 91 17.166 7.019 -0.955 1.00 0.00 C ATOM 1412 OG SER A 91 17.395 7.966 -1.985 1.00 0.00 O ATOM 0 H SER A 91 16.376 5.092 0.449 1.00 0.00 H new ATOM 0 HA SER A 91 16.013 5.836 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.394 7.390 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.073 6.894 -0.364 1.00 0.00 H new ATOM 0 HG SER A 91 17.666 8.821 -1.589 1.00 0.00 H new ATOM 1418 N GLY A 92 18.507 5.519 -3.187 1.00 0.00 N ATOM 1419 CA GLY A 92 19.663 4.919 -3.827 1.00 0.00 C ATOM 1420 C GLY A 92 20.967 5.542 -3.371 1.00 0.00 C ATOM 1421 O GLY A 92 21.098 6.763 -3.279 1.00 0.00 O ATOM 0 H GLY A 92 18.180 6.384 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.680 3.851 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 92 19.572 5.025 -4.908 1.00 0.00 H new ATOM 1425 N PRO A 93 21.962 4.693 -3.075 1.00 0.00 N ATOM 1426 CA PRO A 93 23.280 5.145 -2.620 1.00 0.00 C ATOM 1427 C PRO A 93 24.069 5.838 -3.726 1.00 0.00 C ATOM 1428 O PRO A 93 25.214 6.243 -3.525 1.00 0.00 O ATOM 1429 CB PRO A 93 23.975 3.848 -2.200 1.00 0.00 C ATOM 1430 CG PRO A 93 23.305 2.783 -2.999 1.00 0.00 C ATOM 1431 CD PRO A 93 21.877 3.225 -3.163 1.00 0.00 C ATOM 0 HA PRO A 93 23.204 5.882 -1.820 1.00 0.00 H new ATOM 0 HB2 PRO A 93 25.044 3.886 -2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.865 3.669 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 93 23.789 2.659 -3.968 1.00 0.00 H new ATOM 0 HG3 PRO A 93 23.360 1.821 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 93 21.464 2.903 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 93 21.236 2.812 -2.384 1.00 0.00 H new ATOM 1439 N SER A 94 23.449 5.972 -4.894 1.00 0.00 N ATOM 1440 CA SER A 94 24.095 6.613 -6.034 1.00 0.00 C ATOM 1441 C SER A 94 25.253 5.764 -6.551 1.00 0.00 C ATOM 1442 O SER A 94 26.352 6.267 -6.780 1.00 0.00 O ATOM 1443 CB SER A 94 24.602 8.003 -5.644 1.00 0.00 C ATOM 1444 OG SER A 94 24.778 8.821 -6.787 1.00 0.00 O ATOM 0 H SER A 94 22.500 5.645 -5.076 1.00 0.00 H new ATOM 0 HA SER A 94 23.357 6.713 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.894 8.474 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 94 25.547 7.912 -5.109 1.00 0.00 H new ATOM 0 HG SER A 94 25.101 9.704 -6.511 1.00 0.00 H new ATOM 1450 N SER A 95 24.996 4.472 -6.731 1.00 0.00 N ATOM 1451 CA SER A 95 26.017 3.551 -7.217 1.00 0.00 C ATOM 1452 C SER A 95 26.373 3.853 -8.670 1.00 0.00 C ATOM 1453 O SER A 95 27.535 3.774 -9.065 1.00 0.00 O ATOM 1454 CB SER A 95 25.532 2.106 -7.089 1.00 0.00 C ATOM 1455 OG SER A 95 26.515 1.195 -7.550 1.00 0.00 O ATOM 0 H SER A 95 24.090 4.040 -6.548 1.00 0.00 H new ATOM 0 HA SER A 95 26.911 3.682 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 95 25.292 1.891 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 95 24.614 1.975 -7.661 1.00 0.00 H new ATOM 0 HG SER A 95 26.181 0.278 -7.456 1.00 0.00 H new ATOM 1461 N GLY A 96 25.362 4.198 -9.462 1.00 0.00 N ATOM 1462 CA GLY A 96 25.588 4.506 -10.862 1.00 0.00 C ATOM 1463 C GLY A 96 26.567 5.647 -11.054 1.00 0.00 C ATOM 1464 O GLY A 96 26.369 6.740 -10.523 1.00 0.00 O ATOM 0 H GLY A 96 24.391 4.270 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 96 25.965 3.618 -11.370 1.00 0.00 H new ATOM 0 HA3 GLY A 96 24.639 4.763 -11.332 1.00 0.00 H new TER 1468 GLY A 96