USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 852 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 62 HIS : no HD1:sc=-0.00328 K(o=1.1,f=0) USER MOD Set 1.2: A 66 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Set 2.1: A 26 MET CE :methyl -157:sc= -5.82! (180deg=-7.07!) USER MOD Set 2.2: A 88 THR OG1 : rot 88:sc= -0.919 USER MOD Single : A 10 THR OG1 : rot -23:sc= 0.0129 USER MOD Single : A 11 SER OG : rot -157:sc= 1.24 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 1.08 (180deg=1.07) USER MOD Single : A 18 SER OG : rot 67:sc= 0.416 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -0.0173 (180deg=-0.16) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -79:sc= 1.24 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 71:sc= 0.754 USER MOD Single : A 35 ASN : amide:sc= -2.06! K(o=-2.1!,f=-0.066) USER MOD Single : A 37 TYR OH : rot -130:sc= -2.07! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -91:sc= -3.33! USER MOD Single : A 43 LYS NZ :NH3+ -161:sc= -0.123 (180deg=-0.522) USER MOD Single : A 48 THR OG1 : rot 122:sc= 0.887 USER MOD Single : A 49 THR OG1 : rot 91:sc= 0.548 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= -0.116 (180deg=-1.18) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 1.05 (180deg=0.966) USER MOD Single : A 61 THR OG1 : rot 99:sc= -0.28 USER MOD Single : A 65 MET CE :methyl 153:sc= 0 (180deg=-0.265) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 135:sc= -0.443 (180deg=-2.24!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot -88:sc= 1.2 USER MOD Single : A 73 LYS NZ :NH3+ -163:sc= 1.28 (180deg=1.2) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 80 CYS SG : rot 87:sc= 0.237 USER MOD Single : A 81 ASN : amide:sc= -4.97! C(o=-5!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc= 1.27 (180deg=1.14) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -1.3! (180deg=-1.4!) USER MOD Single : A 89 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.638) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 100:sc= -0.0385 USER MOD Single : A 96 MET CE :methyl 165:sc= -2.19 (180deg=-2.85!) USER MOD Single : A 97 GLN : amide:sc= -0.0481 K(o=-0.048,f=-3.5!) USER MOD Single : A 98 LYS NZ :NH3+ -145:sc= -2.23! (180deg=-4.92!) USER MOD Single : A 103 TYR OH : rot 178:sc= -1.74! USER MOD Single : A 104 LYS NZ :NH3+ -118:sc= 1.27 (180deg=-0.404) USER MOD Single : A 106 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.03) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 10 -3.658 -23.523 3.920 1.00 0.00 N ATOM 2 CA THR A 10 -3.123 -22.905 5.119 1.00 0.00 C ATOM 3 C THR A 10 -2.556 -21.512 4.848 1.00 0.00 C ATOM 4 O THR A 10 -1.371 -21.208 5.049 1.00 0.00 O ATOM 5 CB THR A 10 -2.196 -23.821 5.981 1.00 0.00 C ATOM 6 OG1 THR A 10 -1.108 -24.359 5.209 1.00 0.00 O ATOM 7 CG2 THR A 10 -3.007 -24.966 6.580 1.00 0.00 C ATOM 0 HA THR A 10 -3.984 -22.760 5.772 1.00 0.00 H new ATOM 0 HB THR A 10 -1.775 -23.206 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.350 -24.360 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.354 -25.600 7.179 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.798 -24.561 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.450 -25.557 5.778 1.00 0.00 H new ATOM 15 N SER A 11 -3.436 -20.694 4.350 1.00 0.00 N ATOM 16 CA SER A 11 -3.179 -19.326 3.987 1.00 0.00 C ATOM 17 C SER A 11 -3.227 -18.459 5.172 1.00 0.00 C ATOM 18 O SER A 11 -2.808 -17.323 5.121 1.00 0.00 O ATOM 19 CB SER A 11 -4.205 -18.937 2.997 1.00 0.00 C ATOM 20 OG SER A 11 -4.279 -19.954 2.002 1.00 0.00 O ATOM 0 H SER A 11 -4.401 -20.974 4.176 1.00 0.00 H new ATOM 0 HA SER A 11 -2.182 -19.219 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.172 -18.811 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.950 -17.980 2.542 1.00 0.00 H new ATOM 0 HG SER A 11 -4.650 -19.578 1.177 1.00 0.00 H new ATOM 26 N SER A 12 -3.707 -18.991 6.234 1.00 0.00 N ATOM 27 CA SER A 12 -3.701 -18.316 7.452 1.00 0.00 C ATOM 28 C SER A 12 -2.251 -18.042 7.865 1.00 0.00 C ATOM 29 O SER A 12 -1.878 -16.897 8.140 1.00 0.00 O ATOM 30 CB SER A 12 -4.442 -19.171 8.438 1.00 0.00 C ATOM 31 OG SER A 12 -3.979 -20.528 8.375 1.00 0.00 O ATOM 0 H SER A 12 -4.119 -19.923 6.269 1.00 0.00 H new ATOM 0 HA SER A 12 -4.197 -17.347 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.302 -18.779 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.511 -19.135 8.228 1.00 0.00 H new ATOM 0 HG SER A 12 -4.471 -21.072 9.025 1.00 0.00 H new ATOM 37 N GLU A 13 -1.408 -19.077 7.851 1.00 0.00 N ATOM 38 CA GLU A 13 -0.009 -18.913 8.207 1.00 0.00 C ATOM 39 C GLU A 13 0.801 -18.347 7.042 1.00 0.00 C ATOM 40 O GLU A 13 1.753 -17.606 7.251 1.00 0.00 O ATOM 41 CB GLU A 13 0.603 -20.217 8.678 1.00 0.00 C ATOM 42 CG GLU A 13 0.367 -21.358 7.690 1.00 0.00 C ATOM 43 CD GLU A 13 1.342 -22.493 7.837 1.00 0.00 C ATOM 44 OE1 GLU A 13 1.205 -23.309 8.760 1.00 0.00 O ATOM 45 OE2 GLU A 13 2.251 -22.602 7.014 1.00 0.00 O ATOM 0 H GLU A 13 -1.673 -20.029 7.598 1.00 0.00 H new ATOM 0 HA GLU A 13 0.025 -18.200 9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.675 -20.081 8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 13 0.181 -20.485 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.645 -21.740 7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.428 -20.967 6.675 1.00 0.00 H new ATOM 52 N LEU A 14 0.429 -18.717 5.823 1.00 0.00 N ATOM 53 CA LEU A 14 1.165 -18.304 4.615 1.00 0.00 C ATOM 54 C LEU A 14 1.119 -16.804 4.512 1.00 0.00 C ATOM 55 O LEU A 14 2.133 -16.135 4.345 1.00 0.00 O ATOM 56 CB LEU A 14 0.502 -18.950 3.378 1.00 0.00 C ATOM 57 CG LEU A 14 1.283 -18.980 2.030 1.00 0.00 C ATOM 58 CD1 LEU A 14 1.419 -17.603 1.390 1.00 0.00 C ATOM 59 CD2 LEU A 14 2.648 -19.609 2.219 1.00 0.00 C ATOM 0 H LEU A 14 -0.382 -19.306 5.635 1.00 0.00 H new ATOM 0 HA LEU A 14 2.204 -18.628 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.254 -19.979 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.440 -18.431 3.201 1.00 0.00 H new ATOM 0 HG LEU A 14 0.695 -19.590 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.972 -17.690 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.428 -17.196 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.954 -16.938 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.178 -19.621 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.218 -19.029 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.531 -20.630 2.582 1.00 0.00 H new ATOM 71 N ALA A 15 -0.034 -16.299 4.778 1.00 0.00 N ATOM 72 CA ALA A 15 -0.282 -14.932 4.606 1.00 0.00 C ATOM 73 C ALA A 15 0.048 -14.161 5.842 1.00 0.00 C ATOM 74 O ALA A 15 0.125 -12.962 5.799 1.00 0.00 O ATOM 75 CB ALA A 15 -1.659 -14.676 4.173 1.00 0.00 C ATOM 0 H ALA A 15 -0.830 -16.836 5.123 1.00 0.00 H new ATOM 0 HA ALA A 15 0.376 -14.585 3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.809 -13.603 4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.841 -15.178 3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.353 -15.057 4.923 1.00 0.00 H new ATOM 81 N LYS A 16 0.277 -14.866 6.940 1.00 0.00 N ATOM 82 CA LYS A 16 0.680 -14.240 8.193 1.00 0.00 C ATOM 83 C LYS A 16 1.993 -13.502 7.966 1.00 0.00 C ATOM 84 O LYS A 16 2.214 -12.405 8.491 1.00 0.00 O ATOM 85 CB LYS A 16 0.828 -15.304 9.282 1.00 0.00 C ATOM 86 CG LYS A 16 1.157 -14.769 10.659 1.00 0.00 C ATOM 87 CD LYS A 16 1.206 -15.894 11.670 1.00 0.00 C ATOM 88 CE LYS A 16 1.446 -15.373 13.070 1.00 0.00 C ATOM 89 NZ LYS A 16 1.474 -16.468 14.056 1.00 0.00 N ATOM 0 H LYS A 16 0.190 -15.881 6.989 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.077 -13.529 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.100 -15.873 9.342 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.610 -16.002 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.117 -14.253 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.408 -14.036 10.959 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.268 -16.449 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.998 -16.593 11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.391 -14.830 13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.662 -14.663 13.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.640 -16.076 15.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.563 -16.970 14.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.238 -17.131 13.816 1.00 0.00 H new ATOM 103 N LYS A 17 2.843 -14.104 7.152 1.00 0.00 N ATOM 104 CA LYS A 17 4.056 -13.464 6.741 1.00 0.00 C ATOM 105 C LYS A 17 3.792 -12.496 5.605 1.00 0.00 C ATOM 106 O LYS A 17 4.336 -11.402 5.587 1.00 0.00 O ATOM 107 CB LYS A 17 5.161 -14.460 6.333 1.00 0.00 C ATOM 108 CG LYS A 17 5.753 -15.277 7.487 1.00 0.00 C ATOM 109 CD LYS A 17 4.916 -16.487 7.874 1.00 0.00 C ATOM 110 CE LYS A 17 4.999 -17.575 6.809 1.00 0.00 C ATOM 111 NZ LYS A 17 4.293 -18.796 7.216 1.00 0.00 N ATOM 0 H LYS A 17 2.704 -15.039 6.768 1.00 0.00 H new ATOM 0 HA LYS A 17 4.422 -12.920 7.612 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.754 -15.148 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.966 -13.908 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.752 -15.612 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.865 -14.631 8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.262 -16.882 8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.877 -16.186 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.573 -17.203 5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.045 -17.810 6.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.430 -19.533 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.670 -19.128 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.278 -18.593 7.315 1.00 0.00 H new ATOM 125 N SER A 18 2.913 -12.883 4.676 1.00 0.00 N ATOM 126 CA SER A 18 2.614 -12.074 3.497 1.00 0.00 C ATOM 127 C SER A 18 1.993 -10.713 3.858 1.00 0.00 C ATOM 128 O SER A 18 2.129 -9.783 3.125 1.00 0.00 O ATOM 129 CB SER A 18 1.726 -12.836 2.525 1.00 0.00 C ATOM 130 OG SER A 18 2.281 -14.114 2.239 1.00 0.00 O ATOM 0 H SER A 18 2.394 -13.760 4.721 1.00 0.00 H new ATOM 0 HA SER A 18 3.566 -11.867 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.729 -12.953 2.950 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.615 -12.267 1.602 1.00 0.00 H new ATOM 0 HG SER A 18 2.259 -14.668 3.047 1.00 0.00 H new ATOM 136 N LYS A 19 1.345 -10.612 5.011 1.00 0.00 N ATOM 137 CA LYS A 19 0.787 -9.341 5.504 1.00 0.00 C ATOM 138 C LYS A 19 1.915 -8.381 5.728 1.00 0.00 C ATOM 139 O LYS A 19 1.796 -7.207 5.426 1.00 0.00 O ATOM 140 CB LYS A 19 0.041 -9.558 6.844 1.00 0.00 C ATOM 141 CG LYS A 19 -1.180 -10.488 6.804 1.00 0.00 C ATOM 142 CD LYS A 19 -2.388 -9.842 6.149 1.00 0.00 C ATOM 143 CE LYS A 19 -2.965 -8.696 6.982 1.00 0.00 C ATOM 144 NZ LYS A 19 -3.480 -9.146 8.293 1.00 0.00 N ATOM 0 H LYS A 19 1.187 -11.402 5.636 1.00 0.00 H new ATOM 0 HA LYS A 19 0.084 -8.949 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.750 -9.957 7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.282 -8.586 7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.921 -11.398 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.439 -10.785 7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.106 -9.466 5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.159 -10.597 5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.194 -7.942 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.770 -8.217 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.051 -8.389 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.070 -9.992 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.682 -9.374 8.920 1.00 0.00 H new ATOM 158 N GLU A 20 3.006 -8.902 6.202 1.00 0.00 N ATOM 159 CA GLU A 20 4.161 -8.121 6.513 1.00 0.00 C ATOM 160 C GLU A 20 4.941 -7.856 5.294 1.00 0.00 C ATOM 161 O GLU A 20 5.326 -6.733 5.059 1.00 0.00 O ATOM 162 CB GLU A 20 4.979 -8.834 7.532 1.00 0.00 C ATOM 163 CG GLU A 20 4.147 -9.117 8.720 1.00 0.00 C ATOM 164 CD GLU A 20 3.781 -7.852 9.467 1.00 0.00 C ATOM 165 OE1 GLU A 20 2.763 -7.206 9.137 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.528 -7.448 10.378 1.00 0.00 O ATOM 0 H GLU A 20 3.119 -9.899 6.386 1.00 0.00 H new ATOM 0 HA GLU A 20 3.853 -7.160 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.367 -9.764 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.839 -8.227 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.237 -9.633 8.412 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.685 -9.790 9.388 1.00 0.00 H new ATOM 173 N VAL A 21 5.118 -8.881 4.486 1.00 0.00 N ATOM 174 CA VAL A 21 5.856 -8.764 3.254 1.00 0.00 C ATOM 175 C VAL A 21 5.164 -7.743 2.387 1.00 0.00 C ATOM 176 O VAL A 21 5.793 -6.791 1.924 1.00 0.00 O ATOM 177 CB VAL A 21 5.936 -10.115 2.504 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.727 -9.976 1.219 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.560 -11.186 3.376 1.00 0.00 C ATOM 0 H VAL A 21 4.753 -9.816 4.668 1.00 0.00 H new ATOM 0 HA VAL A 21 6.877 -8.456 3.481 1.00 0.00 H new ATOM 0 HB VAL A 21 4.917 -10.413 2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.768 -10.940 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.243 -9.245 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.739 -9.644 1.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.604 -12.125 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.568 -10.884 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.957 -11.321 4.274 1.00 0.00 H new ATOM 189 N PHE A 22 3.847 -7.861 2.324 1.00 0.00 N ATOM 190 CA PHE A 22 3.042 -6.985 1.491 1.00 0.00 C ATOM 191 C PHE A 22 3.054 -5.605 2.030 1.00 0.00 C ATOM 192 O PHE A 22 3.384 -4.672 1.294 1.00 0.00 O ATOM 193 CB PHE A 22 1.584 -7.489 1.352 1.00 0.00 C ATOM 194 CG PHE A 22 0.562 -6.398 1.026 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.556 -5.740 -0.200 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.358 -6.007 1.979 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.355 -4.726 -0.458 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.257 -5.003 1.723 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.260 -4.362 0.514 1.00 0.00 C ATOM 0 H PHE A 22 3.312 -8.558 2.842 1.00 0.00 H new ATOM 0 HA PHE A 22 3.487 -6.988 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.548 -8.247 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.292 -7.976 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.269 -6.022 -0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.370 -6.499 2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.354 -4.225 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.969 -4.716 2.483 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.971 -3.572 0.322 1.00 0.00 H new ATOM 209 N ARG A 23 2.707 -5.444 3.320 1.00 0.00 N ATOM 210 CA ARG A 23 2.699 -4.098 3.862 1.00 0.00 C ATOM 211 C ARG A 23 4.056 -3.423 3.727 1.00 0.00 C ATOM 212 O ARG A 23 4.110 -2.240 3.485 1.00 0.00 O ATOM 213 CB ARG A 23 2.197 -3.990 5.290 1.00 0.00 C ATOM 214 CG ARG A 23 3.076 -4.640 6.340 1.00 0.00 C ATOM 215 CD ARG A 23 3.172 -3.782 7.580 1.00 0.00 C ATOM 216 NE ARG A 23 3.665 -4.543 8.742 1.00 0.00 N ATOM 217 CZ ARG A 23 4.244 -4.018 9.826 1.00 0.00 C ATOM 218 NH1 ARG A 23 4.458 -2.713 9.910 1.00 0.00 N ATOM 219 NH2 ARG A 23 4.610 -4.813 10.820 1.00 0.00 N ATOM 0 H ARG A 23 2.445 -6.189 3.965 1.00 0.00 H new ATOM 0 HA ARG A 23 1.972 -3.568 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.084 -2.935 5.538 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.205 -4.438 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.672 -5.618 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.073 -4.806 5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.839 -2.941 7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.191 -3.365 7.809 1.00 0.00 H new ATOM 0 HE ARG A 23 3.555 -5.557 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.180 -2.100 9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.901 -2.321 10.741 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.449 -5.818 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.053 -4.420 11.651 1.00 0.00 H new ATOM 233 N LYS A 24 5.144 -4.188 3.814 1.00 0.00 N ATOM 234 CA LYS A 24 6.462 -3.610 3.703 1.00 0.00 C ATOM 235 C LYS A 24 6.729 -3.104 2.294 1.00 0.00 C ATOM 236 O LYS A 24 7.081 -1.936 2.109 1.00 0.00 O ATOM 237 CB LYS A 24 7.574 -4.592 4.127 1.00 0.00 C ATOM 238 CG LYS A 24 7.631 -4.893 5.625 1.00 0.00 C ATOM 239 CD LYS A 24 7.928 -3.646 6.446 1.00 0.00 C ATOM 240 CE LYS A 24 7.962 -3.957 7.933 1.00 0.00 C ATOM 241 NZ LYS A 24 8.263 -2.759 8.756 1.00 0.00 N ATOM 0 H LYS A 24 5.129 -5.197 3.959 1.00 0.00 H new ATOM 0 HA LYS A 24 6.482 -2.766 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.436 -5.529 3.588 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.536 -4.185 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.681 -5.320 5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.398 -5.644 5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.886 -3.226 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.169 -2.889 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.000 -4.371 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.713 -4.723 8.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.275 -3.023 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.192 -2.378 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.533 -2.036 8.597 1.00 0.00 H new ATOM 255 N GLU A 25 6.481 -3.941 1.285 1.00 0.00 N ATOM 256 CA GLU A 25 6.784 -3.543 -0.061 1.00 0.00 C ATOM 257 C GLU A 25 5.834 -2.505 -0.558 1.00 0.00 C ATOM 258 O GLU A 25 6.208 -1.639 -1.352 1.00 0.00 O ATOM 259 CB GLU A 25 6.890 -4.725 -1.017 1.00 0.00 C ATOM 260 CG GLU A 25 5.918 -5.841 -0.812 1.00 0.00 C ATOM 261 CD GLU A 25 6.193 -6.998 -1.748 1.00 0.00 C ATOM 262 OE1 GLU A 25 5.858 -6.919 -2.941 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.793 -7.988 -1.316 1.00 0.00 O ATOM 0 H GLU A 25 6.081 -4.874 1.385 1.00 0.00 H new ATOM 0 HA GLU A 25 7.774 -3.088 -0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.771 -4.352 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.898 -5.133 -0.943 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.972 -6.187 0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.904 -5.475 -0.973 1.00 0.00 H new ATOM 270 N MET A 26 4.629 -2.547 -0.062 1.00 0.00 N ATOM 271 CA MET A 26 3.646 -1.621 -0.476 1.00 0.00 C ATOM 272 C MET A 26 3.852 -0.264 0.155 1.00 0.00 C ATOM 273 O MET A 26 3.678 0.734 -0.496 1.00 0.00 O ATOM 274 CB MET A 26 2.268 -2.126 -0.187 1.00 0.00 C ATOM 275 CG MET A 26 1.286 -1.478 -1.071 1.00 0.00 C ATOM 276 SD MET A 26 1.797 -1.833 -2.751 1.00 0.00 S ATOM 277 CE MET A 26 0.630 -0.948 -3.641 1.00 0.00 C ATOM 0 H MET A 26 4.315 -3.223 0.634 1.00 0.00 H new ATOM 0 HA MET A 26 3.752 -1.508 -1.555 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.234 -3.207 -0.326 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.013 -1.930 0.855 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.283 -1.861 -0.882 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.256 -0.403 -0.894 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.542 -1.368 -4.643 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.334 -1.008 -3.136 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.939 0.095 -3.710 1.00 0.00 H new ATOM 287 N SER A 27 4.229 -0.247 1.419 1.00 0.00 N ATOM 288 CA SER A 27 4.517 0.984 2.091 1.00 0.00 C ATOM 289 C SER A 27 5.671 1.641 1.436 1.00 0.00 C ATOM 290 O SER A 27 5.655 2.819 1.222 1.00 0.00 O ATOM 291 CB SER A 27 4.764 0.806 3.580 1.00 0.00 C ATOM 292 OG SER A 27 5.696 -0.214 3.841 1.00 0.00 O ATOM 0 H SER A 27 4.340 -1.082 1.995 1.00 0.00 H new ATOM 0 HA SER A 27 3.635 1.619 2.010 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.125 1.744 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.823 0.573 4.078 1.00 0.00 H new ATOM 0 HG SER A 27 5.256 -1.086 3.767 1.00 0.00 H new ATOM 298 N GLN A 28 6.646 0.844 1.065 1.00 0.00 N ATOM 299 CA GLN A 28 7.810 1.349 0.342 1.00 0.00 C ATOM 300 C GLN A 28 7.401 1.904 -1.030 1.00 0.00 C ATOM 301 O GLN A 28 7.844 2.982 -1.430 1.00 0.00 O ATOM 302 CB GLN A 28 8.876 0.268 0.194 1.00 0.00 C ATOM 303 CG GLN A 28 9.534 -0.132 1.505 1.00 0.00 C ATOM 304 CD GLN A 28 10.570 -1.218 1.326 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.194 -1.330 0.274 1.00 0.00 O ATOM 306 NE2 GLN A 28 10.773 -2.010 2.342 1.00 0.00 N ATOM 0 H GLN A 28 6.664 -0.159 1.248 1.00 0.00 H new ATOM 0 HA GLN A 28 8.239 2.164 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.424 -0.615 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.644 0.621 -0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.004 0.743 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.769 -0.475 2.202 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.236 -1.887 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.469 -2.753 2.279 1.00 0.00 H new ATOM 315 N PHE A 29 6.541 1.169 -1.726 1.00 0.00 N ATOM 316 CA PHE A 29 5.999 1.588 -3.021 1.00 0.00 C ATOM 317 C PHE A 29 5.233 2.898 -2.880 1.00 0.00 C ATOM 318 O PHE A 29 5.387 3.813 -3.683 1.00 0.00 O ATOM 319 CB PHE A 29 5.081 0.492 -3.590 1.00 0.00 C ATOM 320 CG PHE A 29 4.385 0.858 -4.870 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.035 0.755 -6.081 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.068 1.299 -4.856 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.386 1.087 -7.249 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.425 1.624 -6.022 1.00 0.00 C ATOM 325 CZ PHE A 29 3.080 1.520 -7.207 1.00 0.00 C ATOM 0 H PHE A 29 6.197 0.262 -1.410 1.00 0.00 H new ATOM 0 HA PHE A 29 6.828 1.746 -3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.673 -0.407 -3.759 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.329 0.243 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.059 0.412 -6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.545 1.387 -3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.900 1.008 -8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.400 1.962 -5.998 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.572 1.779 -8.124 1.00 0.00 H new ATOM 335 N ILE A 30 4.405 2.967 -1.876 1.00 0.00 N ATOM 336 CA ILE A 30 3.643 4.150 -1.579 1.00 0.00 C ATOM 337 C ILE A 30 4.552 5.286 -1.188 1.00 0.00 C ATOM 338 O ILE A 30 4.353 6.414 -1.628 1.00 0.00 O ATOM 339 CB ILE A 30 2.576 3.880 -0.510 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.520 2.950 -1.127 1.00 0.00 C ATOM 341 CG2 ILE A 30 1.968 5.197 -0.024 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.529 2.367 -0.166 1.00 0.00 C ATOM 0 H ILE A 30 4.237 2.194 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 30 3.114 4.445 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 30 3.012 3.397 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.975 3.505 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.033 2.132 -1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.212 4.991 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.751 5.823 0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.507 5.717 -0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.169 1.727 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.054 1.777 0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.020 3.172 0.323 1.00 0.00 H new ATOM 354 N VAL A 31 5.552 4.993 -0.383 1.00 0.00 N ATOM 355 CA VAL A 31 6.587 5.975 -0.065 1.00 0.00 C ATOM 356 C VAL A 31 7.182 6.540 -1.364 1.00 0.00 C ATOM 357 O VAL A 31 7.257 7.754 -1.539 1.00 0.00 O ATOM 358 CB VAL A 31 7.700 5.358 0.850 1.00 0.00 C ATOM 359 CG1 VAL A 31 8.943 6.228 0.899 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.170 5.186 2.264 1.00 0.00 C ATOM 0 H VAL A 31 5.677 4.086 0.066 1.00 0.00 H new ATOM 0 HA VAL A 31 6.132 6.791 0.496 1.00 0.00 H new ATOM 0 HB VAL A 31 7.971 4.393 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.688 5.762 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.351 6.337 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.684 7.210 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.949 4.757 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.874 6.157 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.306 4.521 2.250 1.00 0.00 H new ATOM 370 N GLN A 32 7.517 5.649 -2.286 1.00 0.00 N ATOM 371 CA GLN A 32 8.057 5.990 -3.599 1.00 0.00 C ATOM 372 C GLN A 32 7.087 6.901 -4.354 1.00 0.00 C ATOM 373 O GLN A 32 7.481 7.858 -5.020 1.00 0.00 O ATOM 374 CB GLN A 32 8.245 4.694 -4.375 1.00 0.00 C ATOM 375 CG GLN A 32 8.750 4.837 -5.781 1.00 0.00 C ATOM 376 CD GLN A 32 8.772 3.504 -6.498 1.00 0.00 C ATOM 377 OE1 GLN A 32 7.788 3.106 -7.130 1.00 0.00 O ATOM 378 NE2 GLN A 32 9.869 2.808 -6.408 1.00 0.00 N ATOM 0 H GLN A 32 7.419 4.644 -2.141 1.00 0.00 H new ATOM 0 HA GLN A 32 9.005 6.517 -3.487 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.940 4.061 -3.823 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.290 4.169 -4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.116 5.535 -6.328 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.754 5.261 -5.767 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.661 3.170 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.936 1.901 -6.869 1.00 0.00 H new ATOM 387 N CYS A 33 5.828 6.572 -4.240 1.00 0.00 N ATOM 388 CA CYS A 33 4.758 7.322 -4.845 1.00 0.00 C ATOM 389 C CYS A 33 4.612 8.709 -4.232 1.00 0.00 C ATOM 390 O CYS A 33 4.340 9.651 -4.927 1.00 0.00 O ATOM 391 CB CYS A 33 3.455 6.553 -4.712 1.00 0.00 C ATOM 392 SG CYS A 33 3.431 4.983 -5.596 1.00 0.00 S ATOM 0 H CYS A 33 5.510 5.758 -3.713 1.00 0.00 H new ATOM 0 HA CYS A 33 5.002 7.457 -5.899 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.263 6.365 -3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.639 7.176 -5.079 1.00 0.00 H new ATOM 0 HG CYS A 33 4.217 4.137 -4.999 1.00 0.00 H new ATOM 398 N LEU A 34 4.800 8.803 -2.938 1.00 0.00 N ATOM 399 CA LEU A 34 4.685 10.072 -2.218 1.00 0.00 C ATOM 400 C LEU A 34 5.936 10.928 -2.353 1.00 0.00 C ATOM 401 O LEU A 34 5.896 12.135 -2.108 1.00 0.00 O ATOM 402 CB LEU A 34 4.377 9.836 -0.757 1.00 0.00 C ATOM 403 CG LEU A 34 3.081 9.119 -0.454 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.944 8.922 1.030 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.900 9.896 -0.984 1.00 0.00 C ATOM 0 H LEU A 34 5.037 8.009 -2.344 1.00 0.00 H new ATOM 0 HA LEU A 34 3.860 10.618 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.195 9.262 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.361 10.801 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 34 3.099 8.147 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.009 8.405 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.780 8.326 1.397 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.944 9.892 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.979 9.360 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.873 10.881 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.994 10.009 -2.064 1.00 0.00 H new ATOM 417 N ASN A 35 7.059 10.291 -2.686 1.00 0.00 N ATOM 418 CA ASN A 35 8.335 11.004 -2.980 1.00 0.00 C ATOM 419 C ASN A 35 8.197 12.321 -3.781 1.00 0.00 C ATOM 420 O ASN A 35 8.731 13.342 -3.355 1.00 0.00 O ATOM 421 CB ASN A 35 9.366 10.093 -3.647 1.00 0.00 C ATOM 422 CG ASN A 35 10.189 9.407 -2.656 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.355 9.105 -2.888 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.607 9.132 -1.561 1.00 0.00 N ATOM 0 H ASN A 35 7.126 9.276 -2.763 1.00 0.00 H new ATOM 0 HA ASN A 35 8.689 11.296 -1.991 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.856 9.358 -4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.003 10.683 -4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.112 8.638 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.635 9.405 -1.417 1.00 0.00 H new ATOM 431 N PRO A 36 7.489 12.342 -4.945 1.00 0.00 N ATOM 432 CA PRO A 36 7.313 13.575 -5.729 1.00 0.00 C ATOM 433 C PRO A 36 6.402 14.615 -5.051 1.00 0.00 C ATOM 434 O PRO A 36 6.435 15.794 -5.397 1.00 0.00 O ATOM 435 CB PRO A 36 6.676 13.093 -7.038 1.00 0.00 C ATOM 436 CG PRO A 36 6.014 11.809 -6.687 1.00 0.00 C ATOM 437 CD PRO A 36 6.864 11.182 -5.627 1.00 0.00 C ATOM 0 HA PRO A 36 8.267 14.087 -5.857 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.957 13.818 -7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.427 12.951 -7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.000 11.979 -6.324 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.936 11.160 -7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.268 10.585 -4.937 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.614 10.518 -6.056 1.00 0.00 H new ATOM 445 N TYR A 37 5.632 14.192 -4.079 1.00 0.00 N ATOM 446 CA TYR A 37 4.682 15.086 -3.432 1.00 0.00 C ATOM 447 C TYR A 37 5.339 15.893 -2.351 1.00 0.00 C ATOM 448 O TYR A 37 4.905 16.975 -2.030 1.00 0.00 O ATOM 449 CB TYR A 37 3.480 14.320 -2.877 1.00 0.00 C ATOM 450 CG TYR A 37 2.620 13.663 -3.931 1.00 0.00 C ATOM 451 CD1 TYR A 37 2.977 12.453 -4.487 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.447 14.259 -4.366 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.206 11.852 -5.450 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.661 13.671 -5.323 1.00 0.00 C ATOM 455 CZ TYR A 37 1.042 12.469 -5.869 1.00 0.00 C ATOM 456 OH TYR A 37 0.265 11.885 -6.832 1.00 0.00 O ATOM 0 H TYR A 37 5.638 13.240 -3.714 1.00 0.00 H new ATOM 0 HA TYR A 37 4.319 15.775 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.838 13.555 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.863 15.006 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.884 11.967 -4.157 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.146 15.206 -3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.506 10.906 -5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.252 14.149 -5.646 1.00 0.00 H new ATOM 0 HH TYR A 37 0.059 12.542 -7.529 1.00 0.00 H new ATOM 466 N ARG A 38 6.411 15.385 -1.807 1.00 0.00 N ATOM 467 CA ARG A 38 7.097 16.095 -0.726 1.00 0.00 C ATOM 468 C ARG A 38 8.096 17.101 -1.277 1.00 0.00 C ATOM 469 O ARG A 38 8.764 17.817 -0.525 1.00 0.00 O ATOM 470 CB ARG A 38 7.796 15.129 0.206 1.00 0.00 C ATOM 471 CG ARG A 38 8.872 14.332 -0.467 1.00 0.00 C ATOM 472 CD ARG A 38 9.564 13.435 0.516 1.00 0.00 C ATOM 473 NE ARG A 38 10.611 12.632 -0.106 1.00 0.00 N ATOM 474 CZ ARG A 38 11.249 11.618 0.487 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.037 11.360 1.772 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.142 10.906 -0.194 1.00 0.00 N ATOM 0 H ARG A 38 6.834 14.498 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 38 6.338 16.634 -0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.231 15.686 1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.059 14.447 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.440 13.735 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.597 15.005 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.998 14.040 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.831 12.775 0.980 1.00 0.00 H new ATOM 0 HE ARG A 38 10.876 12.861 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.387 11.936 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.524 10.586 2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.340 11.134 -1.168 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.629 10.132 0.258 1.00 0.00 H new ATOM 490 N LYS A 39 8.196 17.146 -2.580 1.00 0.00 N ATOM 491 CA LYS A 39 9.065 18.089 -3.255 1.00 0.00 C ATOM 492 C LYS A 39 8.452 19.478 -3.118 1.00 0.00 C ATOM 493 O LYS A 39 7.238 19.622 -3.210 1.00 0.00 O ATOM 494 CB LYS A 39 9.167 17.741 -4.737 1.00 0.00 C ATOM 495 CG LYS A 39 9.655 16.340 -5.014 1.00 0.00 C ATOM 496 CD LYS A 39 11.088 16.122 -4.576 1.00 0.00 C ATOM 497 CE LYS A 39 11.483 14.675 -4.782 1.00 0.00 C ATOM 498 NZ LYS A 39 12.906 14.423 -4.474 1.00 0.00 N ATOM 0 H LYS A 39 7.679 16.531 -3.208 1.00 0.00 H new ATOM 0 HA LYS A 39 10.060 18.055 -2.812 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.187 17.869 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.840 18.450 -5.219 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.010 15.627 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.571 16.135 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.753 16.773 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.200 16.391 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.861 14.040 -4.152 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.283 14.392 -5.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.123 13.418 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.504 15.007 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.094 14.666 -3.480 1.00 0.00 H new ATOM 512 N PRO A 40 9.262 20.516 -2.940 1.00 0.00 N ATOM 513 CA PRO A 40 8.757 21.875 -2.722 1.00 0.00 C ATOM 514 C PRO A 40 8.092 22.473 -3.960 1.00 0.00 C ATOM 515 O PRO A 40 7.410 23.485 -3.876 1.00 0.00 O ATOM 516 CB PRO A 40 10.002 22.671 -2.350 1.00 0.00 C ATOM 517 CG PRO A 40 11.133 21.914 -2.958 1.00 0.00 C ATOM 518 CD PRO A 40 10.734 20.466 -2.923 1.00 0.00 C ATOM 0 HA PRO A 40 7.981 21.889 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.952 23.688 -2.739 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.114 22.748 -1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.316 22.243 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.055 22.077 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.127 19.920 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.109 19.968 -2.029 1.00 0.00 H new ATOM 526 N ASP A 41 8.263 21.826 -5.092 1.00 0.00 N ATOM 527 CA ASP A 41 7.712 22.325 -6.338 1.00 0.00 C ATOM 528 C ASP A 41 6.440 21.546 -6.697 1.00 0.00 C ATOM 529 O ASP A 41 5.832 21.777 -7.743 1.00 0.00 O ATOM 530 CB ASP A 41 8.774 22.235 -7.466 1.00 0.00 C ATOM 531 CG ASP A 41 8.393 22.981 -8.747 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.356 24.237 -8.730 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.136 22.325 -9.798 1.00 0.00 O ATOM 0 H ASP A 41 8.780 20.951 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 41 7.441 23.374 -6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.718 22.634 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.944 21.186 -7.707 1.00 0.00 H new ATOM 538 N CYS A 42 6.026 20.635 -5.793 1.00 0.00 N ATOM 539 CA CYS A 42 4.850 19.822 -6.020 1.00 0.00 C ATOM 540 C CYS A 42 3.629 20.717 -6.123 1.00 0.00 C ATOM 541 O CYS A 42 3.428 21.601 -5.284 1.00 0.00 O ATOM 542 CB CYS A 42 4.657 18.806 -4.909 1.00 0.00 C ATOM 543 SG CYS A 42 3.374 17.587 -5.258 1.00 0.00 S ATOM 0 H CYS A 42 6.498 20.456 -4.907 1.00 0.00 H new ATOM 0 HA CYS A 42 4.986 19.274 -6.953 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.600 18.288 -4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.406 19.331 -3.988 1.00 0.00 H new ATOM 0 HG CYS A 42 2.233 18.017 -4.807 1.00 0.00 H new ATOM 549 N LYS A 43 2.850 20.504 -7.155 1.00 0.00 N ATOM 550 CA LYS A 43 1.695 21.329 -7.439 1.00 0.00 C ATOM 551 C LYS A 43 0.475 20.874 -6.674 1.00 0.00 C ATOM 552 O LYS A 43 -0.391 21.684 -6.336 1.00 0.00 O ATOM 553 CB LYS A 43 1.385 21.285 -8.931 1.00 0.00 C ATOM 554 CG LYS A 43 2.517 21.764 -9.806 1.00 0.00 C ATOM 555 CD LYS A 43 2.149 21.710 -11.271 1.00 0.00 C ATOM 556 CE LYS A 43 3.259 22.275 -12.135 1.00 0.00 C ATOM 557 NZ LYS A 43 3.595 23.672 -11.766 1.00 0.00 N ATOM 0 H LYS A 43 2.998 19.751 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 43 1.936 22.345 -7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.132 20.262 -9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.504 21.896 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.781 22.786 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.400 21.149 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.948 20.679 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.231 22.273 -11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.147 21.651 -12.038 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.957 22.239 -13.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.104 24.126 -12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.720 24.199 -11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.197 23.672 -10.918 1.00 0.00 H new ATOM 571 N VAL A 44 0.411 19.601 -6.390 1.00 0.00 N ATOM 572 CA VAL A 44 -0.759 19.035 -5.783 1.00 0.00 C ATOM 573 C VAL A 44 -0.387 18.072 -4.668 1.00 0.00 C ATOM 574 O VAL A 44 0.446 17.200 -4.854 1.00 0.00 O ATOM 575 CB VAL A 44 -1.654 18.333 -6.853 1.00 0.00 C ATOM 576 CG1 VAL A 44 -0.895 17.244 -7.614 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.919 17.774 -6.230 1.00 0.00 C ATOM 0 H VAL A 44 1.161 18.934 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.334 19.848 -5.341 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.939 19.096 -7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.557 16.784 -8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.039 17.686 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.547 16.486 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.521 17.292 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.656 17.044 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.490 18.584 -5.777 1.00 0.00 H new ATOM 587 N GLY A 45 -0.969 18.282 -3.505 1.00 0.00 N ATOM 588 CA GLY A 45 -0.735 17.406 -2.381 1.00 0.00 C ATOM 589 C GLY A 45 0.713 17.479 -1.906 1.00 0.00 C ATOM 590 O GLY A 45 1.313 16.468 -1.590 1.00 0.00 O ATOM 0 H GLY A 45 -1.608 19.054 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.402 17.677 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.976 16.381 -2.662 1.00 0.00 H new ATOM 594 N ARG A 46 1.274 18.676 -1.857 1.00 0.00 N ATOM 595 CA ARG A 46 2.644 18.860 -1.452 1.00 0.00 C ATOM 596 C ARG A 46 2.807 18.547 0.034 1.00 0.00 C ATOM 597 O ARG A 46 2.200 19.198 0.895 1.00 0.00 O ATOM 598 CB ARG A 46 3.081 20.288 -1.786 1.00 0.00 C ATOM 599 CG ARG A 46 4.537 20.597 -1.511 1.00 0.00 C ATOM 600 CD ARG A 46 4.951 21.895 -2.193 1.00 0.00 C ATOM 601 NE ARG A 46 4.225 23.074 -1.708 1.00 0.00 N ATOM 602 CZ ARG A 46 3.733 24.067 -2.499 1.00 0.00 C ATOM 603 NH1 ARG A 46 3.657 23.911 -3.827 1.00 0.00 N ATOM 604 NH2 ARG A 46 3.248 25.174 -1.947 1.00 0.00 N ATOM 0 H ARG A 46 0.788 19.540 -2.097 1.00 0.00 H new ATOM 0 HA ARG A 46 3.287 18.169 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.879 20.475 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.465 20.982 -1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.700 20.677 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.161 19.778 -1.868 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.019 22.050 -2.042 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.792 21.798 -3.267 1.00 0.00 H new ATOM 0 HE ARG A 46 4.078 23.156 -0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.970 23.041 -4.257 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.286 24.663 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.245 25.279 -0.932 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.879 25.919 -2.538 1.00 0.00 H new ATOM 618 N ILE A 47 3.582 17.533 0.316 1.00 0.00 N ATOM 619 CA ILE A 47 3.794 17.076 1.667 1.00 0.00 C ATOM 620 C ILE A 47 4.706 18.002 2.439 1.00 0.00 C ATOM 621 O ILE A 47 5.886 18.186 2.104 1.00 0.00 O ATOM 622 CB ILE A 47 4.298 15.609 1.740 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.330 14.692 0.969 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.443 15.177 3.188 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.721 13.234 0.931 1.00 0.00 C ATOM 0 H ILE A 47 4.088 16.997 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 47 2.814 17.095 2.143 1.00 0.00 H new ATOM 0 HB ILE A 47 5.281 15.535 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.340 14.775 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.247 15.057 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.797 14.147 3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.160 15.826 3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.477 15.248 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.977 12.672 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.695 13.131 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.774 12.845 1.948 1.00 0.00 H new ATOM 637 N THR A 48 4.126 18.573 3.450 1.00 0.00 N ATOM 638 CA THR A 48 4.739 19.494 4.358 1.00 0.00 C ATOM 639 C THR A 48 5.969 18.944 5.053 1.00 0.00 C ATOM 640 O THR A 48 7.088 19.435 4.854 1.00 0.00 O ATOM 641 CB THR A 48 3.699 19.842 5.413 1.00 0.00 C ATOM 642 OG1 THR A 48 2.938 18.648 5.708 1.00 0.00 O ATOM 643 CG2 THR A 48 2.775 20.862 4.893 1.00 0.00 C ATOM 0 H THR A 48 3.148 18.396 3.678 1.00 0.00 H new ATOM 0 HA THR A 48 5.073 20.358 3.783 1.00 0.00 H new ATOM 0 HB THR A 48 4.197 20.224 6.304 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.010 18.442 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.034 21.104 5.655 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.334 21.760 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.271 20.478 4.006 1.00 0.00 H new ATOM 651 N THR A 49 5.779 17.907 5.810 1.00 0.00 N ATOM 652 CA THR A 49 6.824 17.431 6.666 1.00 0.00 C ATOM 653 C THR A 49 6.994 15.944 6.480 1.00 0.00 C ATOM 654 O THR A 49 6.083 15.266 6.015 1.00 0.00 O ATOM 655 CB THR A 49 6.455 17.708 8.145 1.00 0.00 C ATOM 656 OG1 THR A 49 5.756 18.965 8.241 1.00 0.00 O ATOM 657 CG2 THR A 49 7.699 17.773 9.020 1.00 0.00 C ATOM 0 H THR A 49 4.911 17.374 5.853 1.00 0.00 H new ATOM 0 HA THR A 49 7.751 17.946 6.413 1.00 0.00 H new ATOM 0 HB THR A 49 5.822 16.891 8.493 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.792 18.810 8.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.408 17.969 10.052 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.231 16.823 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.350 18.574 8.669 1.00 0.00 H new ATOM 665 N THR A 50 8.137 15.449 6.850 1.00 0.00 N ATOM 666 CA THR A 50 8.441 14.059 6.796 1.00 0.00 C ATOM 667 C THR A 50 7.476 13.240 7.656 1.00 0.00 C ATOM 668 O THR A 50 7.051 12.173 7.258 1.00 0.00 O ATOM 669 CB THR A 50 9.901 13.849 7.257 1.00 0.00 C ATOM 670 OG1 THR A 50 10.336 12.502 7.041 1.00 0.00 O ATOM 671 CG2 THR A 50 10.109 14.235 8.704 1.00 0.00 C ATOM 0 H THR A 50 8.902 16.021 7.207 1.00 0.00 H new ATOM 0 HA THR A 50 8.326 13.710 5.770 1.00 0.00 H new ATOM 0 HB THR A 50 10.509 14.513 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.264 12.405 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.151 14.069 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.862 15.288 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.465 13.627 9.339 1.00 0.00 H new ATOM 679 N GLU A 51 7.102 13.775 8.823 1.00 0.00 N ATOM 680 CA GLU A 51 6.144 13.102 9.693 1.00 0.00 C ATOM 681 C GLU A 51 4.804 12.972 9.006 1.00 0.00 C ATOM 682 O GLU A 51 4.111 11.974 9.168 1.00 0.00 O ATOM 683 CB GLU A 51 5.992 13.790 11.053 1.00 0.00 C ATOM 684 CG GLU A 51 5.520 15.238 11.008 1.00 0.00 C ATOM 685 CD GLU A 51 5.235 15.769 12.388 1.00 0.00 C ATOM 686 OE1 GLU A 51 4.100 15.599 12.879 1.00 0.00 O ATOM 687 OE2 GLU A 51 6.152 16.324 13.028 1.00 0.00 O ATOM 0 H GLU A 51 7.447 14.665 9.181 1.00 0.00 H new ATOM 0 HA GLU A 51 6.541 12.106 9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.288 13.215 11.654 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.952 13.755 11.567 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.281 15.855 10.530 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.621 15.310 10.397 1.00 0.00 H new ATOM 694 N ASP A 52 4.472 13.953 8.191 1.00 0.00 N ATOM 695 CA ASP A 52 3.232 13.958 7.443 1.00 0.00 C ATOM 696 C ASP A 52 3.310 12.953 6.360 1.00 0.00 C ATOM 697 O ASP A 52 2.369 12.186 6.138 1.00 0.00 O ATOM 698 CB ASP A 52 2.997 15.325 6.817 1.00 0.00 C ATOM 699 CG ASP A 52 2.661 16.387 7.799 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.597 16.313 8.429 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.465 17.334 7.952 1.00 0.00 O ATOM 0 H ASP A 52 5.057 14.772 8.029 1.00 0.00 H new ATOM 0 HA ASP A 52 2.413 13.724 8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.891 15.621 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.188 15.247 6.090 1.00 0.00 H new ATOM 706 N PHE A 53 4.454 12.941 5.710 1.00 0.00 N ATOM 707 CA PHE A 53 4.773 12.008 4.663 1.00 0.00 C ATOM 708 C PHE A 53 4.602 10.562 5.202 1.00 0.00 C ATOM 709 O PHE A 53 3.889 9.747 4.623 1.00 0.00 O ATOM 710 CB PHE A 53 6.225 12.255 4.197 1.00 0.00 C ATOM 711 CG PHE A 53 6.752 11.297 3.181 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.273 10.081 3.571 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.732 11.612 1.847 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.754 9.200 2.653 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.217 10.734 0.915 1.00 0.00 C ATOM 716 CZ PHE A 53 7.727 9.527 1.312 1.00 0.00 C ATOM 0 H PHE A 53 5.206 13.602 5.905 1.00 0.00 H new ATOM 0 HA PHE A 53 4.105 12.143 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.288 13.263 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.877 12.225 5.070 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.299 9.825 4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.330 12.562 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.155 8.249 2.972 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.197 10.994 -0.133 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.107 8.832 0.578 1.00 0.00 H new ATOM 726 N LYS A 54 5.242 10.304 6.325 1.00 0.00 N ATOM 727 CA LYS A 54 5.222 9.018 7.004 1.00 0.00 C ATOM 728 C LYS A 54 3.819 8.617 7.424 1.00 0.00 C ATOM 729 O LYS A 54 3.400 7.470 7.212 1.00 0.00 O ATOM 730 CB LYS A 54 6.145 9.092 8.222 1.00 0.00 C ATOM 731 CG LYS A 54 7.617 9.172 7.838 1.00 0.00 C ATOM 732 CD LYS A 54 8.558 9.530 9.001 1.00 0.00 C ATOM 733 CE LYS A 54 8.514 8.545 10.171 1.00 0.00 C ATOM 734 NZ LYS A 54 7.378 8.779 11.100 1.00 0.00 N ATOM 0 H LYS A 54 5.808 11.002 6.807 1.00 0.00 H new ATOM 0 HA LYS A 54 5.573 8.253 6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.882 9.964 8.820 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.984 8.215 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.924 8.213 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.734 9.915 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.579 9.583 8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.302 10.524 9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.449 7.530 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.448 8.613 10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.710 8.694 12.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.994 9.733 10.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.634 8.074 10.924 1.00 0.00 H new ATOM 748 N HIS A 55 3.077 9.572 7.953 1.00 0.00 N ATOM 749 CA HIS A 55 1.713 9.349 8.424 1.00 0.00 C ATOM 750 C HIS A 55 0.833 8.932 7.261 1.00 0.00 C ATOM 751 O HIS A 55 0.073 7.957 7.348 1.00 0.00 O ATOM 752 CB HIS A 55 1.162 10.629 9.072 1.00 0.00 C ATOM 753 CG HIS A 55 -0.245 10.519 9.607 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.545 10.043 10.861 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.435 10.822 9.031 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.845 10.049 11.044 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.419 10.520 9.943 1.00 0.00 N ATOM 0 H HIS A 55 3.401 10.532 8.071 1.00 0.00 H new ATOM 0 HA HIS A 55 1.718 8.555 9.170 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.823 10.918 9.889 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.193 11.433 8.336 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.582 11.226 8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.360 9.726 11.937 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.422 10.638 9.798 1.00 0.00 H new ATOM 765 N LEU A 56 0.943 9.645 6.189 1.00 0.00 N ATOM 766 CA LEU A 56 0.136 9.359 5.050 1.00 0.00 C ATOM 767 C LEU A 56 0.565 8.101 4.370 1.00 0.00 C ATOM 768 O LEU A 56 -0.286 7.334 3.946 1.00 0.00 O ATOM 769 CB LEU A 56 0.149 10.463 4.061 1.00 0.00 C ATOM 770 CG LEU A 56 -1.054 10.467 3.152 1.00 0.00 C ATOM 771 CD1 LEU A 56 -2.329 10.820 3.916 1.00 0.00 C ATOM 772 CD2 LEU A 56 -0.805 11.383 2.001 1.00 0.00 C ATOM 0 H LEU A 56 1.584 10.430 6.078 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.878 9.238 5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.198 11.415 4.590 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.052 10.388 3.456 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.209 9.463 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.177 10.814 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.495 10.087 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.226 11.811 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.675 11.386 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.627 12.392 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.068 11.041 1.446 1.00 0.00 H new ATOM 784 N ALA A 57 1.875 7.865 4.274 1.00 0.00 N ATOM 785 CA ALA A 57 2.373 6.618 3.668 1.00 0.00 C ATOM 786 C ALA A 57 1.762 5.433 4.400 1.00 0.00 C ATOM 787 O ALA A 57 1.288 4.470 3.768 1.00 0.00 O ATOM 788 CB ALA A 57 3.889 6.544 3.662 1.00 0.00 C ATOM 0 H ALA A 57 2.601 8.503 4.599 1.00 0.00 H new ATOM 0 HA ALA A 57 2.068 6.596 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.206 5.606 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.292 7.380 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.260 6.592 4.686 1.00 0.00 H new ATOM 794 N ARG A 58 1.683 5.561 5.718 1.00 0.00 N ATOM 795 CA ARG A 58 1.057 4.539 6.554 1.00 0.00 C ATOM 796 C ARG A 58 -0.404 4.400 6.188 1.00 0.00 C ATOM 797 O ARG A 58 -0.893 3.297 5.928 1.00 0.00 O ATOM 798 CB ARG A 58 1.104 4.904 8.031 1.00 0.00 C ATOM 799 CG ARG A 58 2.454 4.905 8.683 1.00 0.00 C ATOM 800 CD ARG A 58 2.291 5.299 10.130 1.00 0.00 C ATOM 801 NE ARG A 58 3.551 5.304 10.861 1.00 0.00 N ATOM 802 CZ ARG A 58 3.661 5.372 12.189 1.00 0.00 C ATOM 803 NH1 ARG A 58 2.564 5.430 12.951 1.00 0.00 N ATOM 804 NH2 ARG A 58 4.865 5.370 12.751 1.00 0.00 N ATOM 0 H ARG A 58 2.045 6.363 6.234 1.00 0.00 H new ATOM 0 HA ARG A 58 1.610 3.615 6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.668 5.896 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.465 4.208 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.910 3.918 8.609 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.119 5.602 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.842 6.291 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.599 4.610 10.613 1.00 0.00 H new ATOM 0 HE ARG A 58 4.413 5.252 10.318 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.641 5.422 12.517 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.650 5.482 13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.700 5.317 12.168 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.954 5.422 13.766 1.00 0.00 H new ATOM 818 N LYS A 59 -1.080 5.540 6.109 1.00 0.00 N ATOM 819 CA LYS A 59 -2.511 5.574 5.898 1.00 0.00 C ATOM 820 C LYS A 59 -2.902 4.983 4.551 1.00 0.00 C ATOM 821 O LYS A 59 -3.865 4.215 4.446 1.00 0.00 O ATOM 822 CB LYS A 59 -3.007 7.017 6.066 1.00 0.00 C ATOM 823 CG LYS A 59 -4.495 7.232 5.868 1.00 0.00 C ATOM 824 CD LYS A 59 -4.907 8.579 6.433 1.00 0.00 C ATOM 825 CE LYS A 59 -6.372 8.863 6.202 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.837 9.991 7.029 1.00 0.00 N ATOM 0 H LYS A 59 -0.648 6.460 6.190 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.997 4.947 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.740 7.359 7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.471 7.650 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.739 7.184 4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.054 6.436 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.697 8.604 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.308 9.364 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.539 9.089 5.149 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.958 7.974 6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.828 10.205 6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.762 9.738 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.249 10.827 6.838 1.00 0.00 H new ATOM 840 N LEU A 60 -2.154 5.316 3.540 1.00 0.00 N ATOM 841 CA LEU A 60 -2.428 4.854 2.200 1.00 0.00 C ATOM 842 C LEU A 60 -2.157 3.376 2.066 1.00 0.00 C ATOM 843 O LEU A 60 -2.960 2.651 1.467 1.00 0.00 O ATOM 844 CB LEU A 60 -1.623 5.676 1.244 1.00 0.00 C ATOM 845 CG LEU A 60 -1.909 7.152 1.402 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.841 8.006 0.765 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.269 7.481 0.850 1.00 0.00 C ATOM 0 H LEU A 60 -1.333 5.917 3.616 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.485 4.982 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.561 5.491 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.846 5.369 0.222 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.901 7.380 2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.087 9.059 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.121 7.794 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.784 7.783 -0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.462 8.547 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.304 7.223 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.027 6.912 1.388 1.00 0.00 H new ATOM 859 N THR A 61 -1.045 2.924 2.666 1.00 0.00 N ATOM 860 CA THR A 61 -0.705 1.505 2.669 1.00 0.00 C ATOM 861 C THR A 61 -1.824 0.737 3.319 1.00 0.00 C ATOM 862 O THR A 61 -2.277 -0.294 2.825 1.00 0.00 O ATOM 863 CB THR A 61 0.619 1.239 3.456 1.00 0.00 C ATOM 864 OG1 THR A 61 1.675 2.035 2.902 1.00 0.00 O ATOM 865 CG2 THR A 61 1.028 -0.238 3.383 1.00 0.00 C ATOM 0 H THR A 61 -0.374 3.521 3.150 1.00 0.00 H new ATOM 0 HA THR A 61 -0.562 1.182 1.638 1.00 0.00 H new ATOM 0 HB THR A 61 0.445 1.503 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.795 2.843 3.444 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.953 -0.388 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.240 -0.855 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.182 -0.522 2.342 1.00 0.00 H new ATOM 873 N HIS A 62 -2.327 1.310 4.375 1.00 0.00 N ATOM 874 CA HIS A 62 -3.335 0.663 5.176 1.00 0.00 C ATOM 875 C HIS A 62 -4.698 0.636 4.457 1.00 0.00 C ATOM 876 O HIS A 62 -5.450 -0.344 4.582 1.00 0.00 O ATOM 877 CB HIS A 62 -3.424 1.326 6.561 1.00 0.00 C ATOM 878 CG HIS A 62 -4.262 0.600 7.570 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.744 -0.345 8.423 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.578 0.683 7.861 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.691 -0.820 9.192 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.822 -0.215 8.874 1.00 0.00 N ATOM 0 H HIS A 62 -2.054 2.235 4.707 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.043 -0.377 5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.415 1.431 6.960 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.824 2.332 6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.301 1.331 7.388 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.569 -1.575 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.729 -0.386 9.309 1.00 0.00 H new ATOM 890 N GLY A 63 -4.999 1.670 3.695 1.00 0.00 N ATOM 891 CA GLY A 63 -6.282 1.735 3.014 1.00 0.00 C ATOM 892 C GLY A 63 -6.370 0.812 1.817 1.00 0.00 C ATOM 893 O GLY A 63 -7.412 0.185 1.601 1.00 0.00 O ATOM 0 H GLY A 63 -4.384 2.467 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.073 1.481 3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.462 2.760 2.688 1.00 0.00 H new ATOM 897 N VAL A 64 -5.272 0.689 1.056 1.00 0.00 N ATOM 898 CA VAL A 64 -5.243 -0.218 -0.113 1.00 0.00 C ATOM 899 C VAL A 64 -5.339 -1.645 0.389 1.00 0.00 C ATOM 900 O VAL A 64 -6.104 -2.451 -0.128 1.00 0.00 O ATOM 901 CB VAL A 64 -3.941 -0.049 -0.963 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.876 -1.080 -2.105 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.857 1.364 -1.523 1.00 0.00 C ATOM 0 H VAL A 64 -4.402 1.196 1.221 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.084 0.029 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.089 -0.224 -0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.959 -0.934 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.887 -2.087 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.736 -0.950 -2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.946 1.468 -2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.723 1.557 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.842 2.081 -0.702 1.00 0.00 H new ATOM 913 N MET A 65 -4.638 -1.870 1.480 1.00 0.00 N ATOM 914 CA MET A 65 -4.557 -3.158 2.161 1.00 0.00 C ATOM 915 C MET A 65 -5.951 -3.629 2.553 1.00 0.00 C ATOM 916 O MET A 65 -6.352 -4.751 2.268 1.00 0.00 O ATOM 917 CB MET A 65 -3.684 -2.987 3.396 1.00 0.00 C ATOM 918 CG MET A 65 -3.653 -4.127 4.356 1.00 0.00 C ATOM 919 SD MET A 65 -2.606 -3.709 5.751 1.00 0.00 S ATOM 920 CE MET A 65 -2.978 -5.052 6.820 1.00 0.00 C ATOM 0 H MET A 65 -4.089 -1.142 1.937 1.00 0.00 H new ATOM 0 HA MET A 65 -4.122 -3.909 1.502 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.663 -2.791 3.067 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.022 -2.100 3.932 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.662 -4.353 4.700 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.277 -5.022 3.861 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.130 -5.238 7.479 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.856 -4.809 7.418 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.179 -5.944 6.227 1.00 0.00 H new ATOM 930 N ASN A 66 -6.678 -2.745 3.181 1.00 0.00 N ATOM 931 CA ASN A 66 -8.030 -3.005 3.619 1.00 0.00 C ATOM 932 C ASN A 66 -8.982 -3.188 2.456 1.00 0.00 C ATOM 933 O ASN A 66 -9.837 -4.074 2.486 1.00 0.00 O ATOM 934 CB ASN A 66 -8.490 -1.904 4.556 1.00 0.00 C ATOM 935 CG ASN A 66 -8.161 -2.179 6.000 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.960 -2.753 6.750 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.001 -1.780 6.414 1.00 0.00 N ATOM 0 H ASN A 66 -6.346 -1.808 3.408 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.035 -3.949 4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.027 -0.964 4.257 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.567 -1.775 4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.724 -1.936 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.364 -1.309 5.771 1.00 0.00 H new ATOM 944 N LYS A 67 -8.813 -2.390 1.422 1.00 0.00 N ATOM 945 CA LYS A 67 -9.657 -2.487 0.253 1.00 0.00 C ATOM 946 C LYS A 67 -9.480 -3.842 -0.431 1.00 0.00 C ATOM 947 O LYS A 67 -10.463 -4.516 -0.797 1.00 0.00 O ATOM 948 CB LYS A 67 -9.418 -1.311 -0.712 1.00 0.00 C ATOM 949 CG LYS A 67 -10.279 -1.356 -1.975 1.00 0.00 C ATOM 950 CD LYS A 67 -10.120 -0.107 -2.840 1.00 0.00 C ATOM 951 CE LYS A 67 -10.715 1.130 -2.178 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.586 2.338 -3.030 1.00 0.00 N ATOM 0 H LYS A 67 -8.097 -1.666 1.369 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.696 -2.419 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.613 -0.377 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.367 -1.300 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.012 -2.235 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.326 -1.467 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.062 0.063 -3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.604 -0.270 -3.803 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.768 0.952 -1.960 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.217 1.305 -1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.004 3.155 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.580 2.524 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.083 2.183 -3.930 1.00 0.00 H new ATOM 966 N GLU A 68 -8.268 -4.293 -0.550 1.00 0.00 N ATOM 967 CA GLU A 68 -8.080 -5.537 -1.151 1.00 0.00 C ATOM 968 C GLU A 68 -8.455 -6.662 -0.248 1.00 0.00 C ATOM 969 O GLU A 68 -9.048 -7.592 -0.683 1.00 0.00 O ATOM 970 CB GLU A 68 -6.759 -5.658 -1.799 1.00 0.00 C ATOM 971 CG GLU A 68 -5.550 -5.371 -0.954 1.00 0.00 C ATOM 972 CD GLU A 68 -4.367 -5.259 -1.842 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.330 -4.290 -2.644 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.534 -6.188 -1.855 1.00 0.00 O ATOM 0 H GLU A 68 -7.422 -3.814 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.784 -5.614 -1.979 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.666 -6.672 -2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.740 -4.984 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.691 -4.447 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.401 -6.167 -0.224 1.00 0.00 H new ATOM 981 N LEU A 69 -8.181 -6.553 1.013 1.00 0.00 N ATOM 982 CA LEU A 69 -8.660 -7.560 1.955 1.00 0.00 C ATOM 983 C LEU A 69 -10.189 -7.667 1.973 1.00 0.00 C ATOM 984 O LEU A 69 -10.728 -8.746 2.229 1.00 0.00 O ATOM 985 CB LEU A 69 -8.119 -7.318 3.361 1.00 0.00 C ATOM 986 CG LEU A 69 -6.637 -7.604 3.556 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.178 -7.137 4.922 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.370 -9.091 3.389 1.00 0.00 C ATOM 0 H LEU A 69 -7.638 -5.795 1.427 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.274 -8.516 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.308 -6.279 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.684 -7.935 4.059 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.074 -7.056 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.116 -7.351 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.345 -6.064 5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.742 -7.660 5.694 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.307 -9.288 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.944 -9.649 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.667 -9.404 2.388 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.893 -6.586 1.668 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.346 -6.633 1.648 1.00 0.00 C ATOM 1002 C LYS A 70 -12.858 -7.187 0.324 1.00 0.00 C ATOM 1003 O LYS A 70 -13.922 -7.810 0.271 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.956 -5.252 1.990 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.838 -4.204 0.930 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.203 -2.793 1.406 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.684 -2.599 1.814 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.066 -3.252 3.096 1.00 0.00 N ATOM 0 H LYS A 70 -10.488 -5.679 1.434 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.676 -7.321 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.012 -5.390 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.478 -4.880 2.896 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.815 -4.196 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.484 -4.473 0.094 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.572 -2.539 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.966 -2.086 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.889 -1.531 1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.320 -2.989 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.633 -2.592 3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.625 -4.106 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.208 -3.514 3.621 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.083 -7.004 -0.744 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.481 -7.489 -2.066 1.00 0.00 C ATOM 1024 C TYR A 71 -11.753 -8.752 -2.538 1.00 0.00 C ATOM 1025 O TYR A 71 -12.063 -9.309 -3.596 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.401 -6.343 -3.079 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.354 -5.237 -2.680 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -14.651 -5.548 -2.290 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -12.965 -3.908 -2.643 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -15.523 -4.590 -1.887 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.847 -2.930 -2.242 1.00 0.00 C ATOM 1032 CZ TYR A 71 -15.128 -3.275 -1.866 1.00 0.00 C ATOM 1033 OH TYR A 71 -16.011 -2.296 -1.457 1.00 0.00 O ATOM 0 H TYR A 71 -11.182 -6.527 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.516 -7.820 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.382 -5.958 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.650 -6.708 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -14.973 -6.579 -2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -11.960 -3.637 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.524 -4.860 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.537 -1.896 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.572 -1.421 -1.501 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.794 -9.180 -1.783 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.106 -10.436 -2.019 1.00 0.00 C ATOM 1045 C CYS A 72 -10.533 -11.461 -0.990 1.00 0.00 C ATOM 1046 O CYS A 72 -10.469 -12.675 -1.238 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.592 -10.232 -1.955 1.00 0.00 C ATOM 1048 SG CYS A 72 -7.919 -9.254 -3.309 1.00 0.00 S ATOM 0 H CYS A 72 -10.451 -8.669 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.369 -10.798 -3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.342 -9.746 -1.012 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.105 -11.207 -1.950 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.633 -10.035 -4.308 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.951 -10.957 0.185 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.399 -11.749 1.347 1.00 0.00 C ATOM 1056 C LYS A 73 -10.239 -12.472 2.031 1.00 0.00 C ATOM 1057 O LYS A 73 -10.040 -12.347 3.252 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.550 -12.725 1.003 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.865 -12.055 0.580 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.453 -11.197 1.701 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.838 -10.648 1.345 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.827 -9.783 0.141 1.00 0.00 N ATOM 0 H LYS A 73 -10.988 -9.953 0.359 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.803 -11.030 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.220 -13.383 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.744 -13.355 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.690 -11.434 -0.299 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.586 -12.820 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.523 -11.791 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.779 -10.367 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.522 -11.481 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.226 -10.079 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.700 -9.219 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.005 -9.147 0.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.769 -10.376 -0.712 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.480 -13.178 1.254 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.363 -13.956 1.726 1.00 0.00 C ATOM 1078 C ASN A 74 -7.071 -13.265 1.339 1.00 0.00 C ATOM 1079 O ASN A 74 -6.949 -12.754 0.227 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.382 -15.364 1.101 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.582 -16.210 1.508 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.118 -16.079 2.612 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.003 -17.093 0.636 1.00 0.00 N ATOM 0 H ASN A 74 -9.618 -13.235 0.245 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.434 -14.046 2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.370 -15.268 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.469 -15.888 1.384 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.794 -17.696 0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.539 -17.178 -0.269 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.080 -13.218 2.249 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.761 -12.604 1.972 1.00 0.00 C ATOM 1092 C PRO A 75 -3.885 -13.413 1.064 1.00 0.00 C ATOM 1093 O PRO A 75 -2.739 -13.073 0.805 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.098 -12.535 3.267 1.00 0.00 C ATOM 1095 CG PRO A 75 -4.749 -13.612 4.112 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.161 -13.718 3.632 1.00 0.00 C ATOM 0 HA PRO A 75 -4.918 -11.647 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.026 -12.707 3.169 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.223 -11.552 3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.227 -14.563 4.001 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.715 -13.351 5.170 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.524 -14.745 3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.840 -13.118 4.239 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.434 -14.449 0.580 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.805 -15.348 -0.345 1.00 0.00 C ATOM 1106 C GLU A 76 -3.712 -14.643 -1.707 1.00 0.00 C ATOM 1107 O GLU A 76 -3.125 -15.136 -2.658 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.665 -16.591 -0.409 1.00 0.00 C ATOM 1109 CG GLU A 76 -4.164 -17.727 -1.252 1.00 0.00 C ATOM 1110 CD GLU A 76 -5.191 -18.808 -1.301 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.318 -19.559 -0.327 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -5.950 -18.875 -2.284 1.00 0.00 O ATOM 0 H GLU A 76 -5.386 -14.725 0.819 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.796 -15.629 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.803 -16.959 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.649 -16.303 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.944 -17.375 -2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.233 -18.115 -0.840 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.271 -13.459 -1.747 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.313 -12.650 -2.946 1.00 0.00 C ATOM 1121 C ASP A 77 -3.891 -11.231 -2.575 1.00 0.00 C ATOM 1122 O ASP A 77 -3.989 -10.297 -3.353 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.723 -12.690 -3.529 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.845 -12.069 -4.908 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.092 -12.470 -5.828 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.741 -11.221 -5.119 1.00 0.00 O ATOM 0 H ASP A 77 -4.716 -13.022 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.631 -13.030 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.054 -13.727 -3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.400 -12.173 -2.849 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.385 -11.108 -1.366 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.898 -9.890 -0.831 1.00 0.00 C ATOM 1133 C LEU A 78 -1.409 -9.859 -1.091 1.00 0.00 C ATOM 1134 O LEU A 78 -0.617 -10.557 -0.434 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.148 -9.893 0.649 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.693 -8.695 1.403 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.582 -7.503 1.137 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.559 -8.977 2.870 1.00 0.00 C ATOM 0 H LEU A 78 -3.306 -11.892 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.386 -9.025 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.219 -10.013 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.660 -10.770 1.075 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.697 -8.442 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.220 -6.645 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.566 -7.267 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.603 -7.735 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.225 -8.076 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.524 -9.287 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.831 -9.773 3.022 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.050 -9.147 -2.078 1.00 0.00 N ATOM 1151 CA GLU A 79 0.278 -9.071 -2.524 1.00 0.00 C ATOM 1152 C GLU A 79 0.511 -7.701 -3.095 1.00 0.00 C ATOM 1153 O GLU A 79 -0.372 -7.154 -3.710 1.00 0.00 O ATOM 1154 CB GLU A 79 0.392 -10.057 -3.637 1.00 0.00 C ATOM 1155 CG GLU A 79 1.732 -10.190 -4.216 1.00 0.00 C ATOM 1156 CD GLU A 79 2.694 -10.772 -3.234 1.00 0.00 C ATOM 1157 OE1 GLU A 79 2.665 -11.996 -3.027 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.469 -10.014 -2.620 1.00 0.00 O ATOM 0 H GLU A 79 -1.699 -8.577 -2.621 1.00 0.00 H new ATOM 0 HA GLU A 79 0.988 -9.266 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.073 -11.033 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.302 -9.771 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.686 -10.823 -5.102 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.088 -9.213 -4.541 1.00 0.00 H new ATOM 1165 N CYS A 80 1.708 -7.188 -2.945 1.00 0.00 N ATOM 1166 CA CYS A 80 2.080 -5.928 -3.551 1.00 0.00 C ATOM 1167 C CYS A 80 2.417 -6.214 -4.984 1.00 0.00 C ATOM 1168 O CYS A 80 3.574 -6.267 -5.390 1.00 0.00 O ATOM 1169 CB CYS A 80 3.261 -5.235 -2.799 1.00 0.00 C ATOM 1170 SG CYS A 80 4.036 -3.819 -3.647 1.00 0.00 S ATOM 0 H CYS A 80 2.451 -7.628 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 80 1.253 -5.221 -3.488 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.897 -4.896 -1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.031 -5.983 -2.607 1.00 0.00 H new ATOM 0 HG CYS A 80 3.382 -2.732 -3.363 1.00 0.00 H new ATOM 1176 N ASN A 81 1.406 -6.517 -5.734 1.00 0.00 N ATOM 1177 CA ASN A 81 1.635 -6.894 -7.096 1.00 0.00 C ATOM 1178 C ASN A 81 1.318 -5.726 -7.975 1.00 0.00 C ATOM 1179 O ASN A 81 0.988 -4.667 -7.500 1.00 0.00 O ATOM 1180 CB ASN A 81 0.810 -8.093 -7.527 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.672 -7.751 -7.582 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.146 -7.228 -8.496 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.356 -8.017 -6.616 1.00 0.00 N ATOM 0 H ASN A 81 0.430 -6.512 -5.436 1.00 0.00 H new ATOM 0 HA ASN A 81 2.682 -7.185 -7.187 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.144 -8.434 -8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.970 -8.917 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.348 -7.779 -6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.939 -8.479 -5.808 1.00 0.00 H new ATOM 1190 N GLU A 82 1.340 -5.981 -9.234 1.00 0.00 N ATOM 1191 CA GLU A 82 1.106 -5.033 -10.289 1.00 0.00 C ATOM 1192 C GLU A 82 -0.271 -4.379 -10.182 1.00 0.00 C ATOM 1193 O GLU A 82 -0.384 -3.169 -10.198 1.00 0.00 O ATOM 1194 CB GLU A 82 1.202 -5.816 -11.524 1.00 0.00 C ATOM 1195 CG GLU A 82 2.574 -6.428 -11.717 1.00 0.00 C ATOM 1196 CD GLU A 82 3.682 -5.402 -11.772 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.961 -4.864 -12.860 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.313 -5.126 -10.731 1.00 0.00 O ATOM 0 H GLU A 82 1.534 -6.917 -9.589 1.00 0.00 H new ATOM 0 HA GLU A 82 1.825 -4.215 -10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.453 -6.608 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.970 -5.176 -12.375 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.772 -7.124 -10.902 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.579 -7.008 -12.640 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.292 -5.214 -10.075 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.686 -4.819 -9.838 1.00 0.00 C ATOM 1207 C ASN A 83 -2.735 -3.923 -8.650 1.00 0.00 C ATOM 1208 O ASN A 83 -3.293 -2.818 -8.702 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.546 -6.070 -9.506 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.987 -5.740 -9.100 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.573 -4.747 -9.532 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.559 -6.564 -8.262 1.00 0.00 N ATOM 0 H ASN A 83 -1.177 -6.224 -10.153 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.067 -4.323 -10.731 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.565 -6.728 -10.375 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.068 -6.624 -8.698 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.515 -6.392 -7.950 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.050 -7.379 -7.920 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.122 -4.389 -7.567 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.130 -3.624 -6.336 1.00 0.00 C ATOM 1221 C VAL A 84 -1.410 -2.277 -6.508 1.00 0.00 C ATOM 1222 O VAL A 84 -1.934 -1.217 -6.101 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.603 -4.477 -5.175 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.379 -3.690 -3.902 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.592 -5.571 -4.925 1.00 0.00 C ATOM 0 H VAL A 84 -1.623 -5.277 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.157 -3.363 -6.079 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.627 -4.870 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.006 -4.356 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.649 -2.902 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.320 -3.245 -3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.243 -6.196 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.558 -5.136 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.697 -6.179 -5.823 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.269 -2.314 -7.174 1.00 0.00 N ATOM 1236 CA LYS A 85 0.490 -1.104 -7.484 1.00 0.00 C ATOM 1237 C LYS A 85 -0.343 -0.140 -8.279 1.00 0.00 C ATOM 1238 O LYS A 85 -0.462 1.007 -7.898 1.00 0.00 O ATOM 1239 CB LYS A 85 1.748 -1.432 -8.253 1.00 0.00 C ATOM 1240 CG LYS A 85 2.713 -2.254 -7.469 1.00 0.00 C ATOM 1241 CD LYS A 85 3.849 -2.699 -8.325 1.00 0.00 C ATOM 1242 CE LYS A 85 4.577 -3.807 -7.647 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.659 -4.350 -8.480 1.00 0.00 N ATOM 0 H LYS A 85 0.159 -3.175 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 85 0.767 -0.642 -6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.481 -1.967 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.233 -0.505 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.092 -1.674 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.203 -3.123 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.479 -3.032 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.526 -1.865 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.991 -3.445 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.875 -4.604 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.969 -5.264 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.315 -4.484 -9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.460 -3.687 -8.485 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.967 -0.650 -9.334 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.821 0.137 -10.244 1.00 0.00 C ATOM 1259 C HIS A 86 -2.848 0.901 -9.445 1.00 0.00 C ATOM 1260 O HIS A 86 -2.946 2.141 -9.506 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.523 -0.792 -11.275 1.00 0.00 C ATOM 1262 CG HIS A 86 -3.612 -0.134 -12.106 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -3.369 0.738 -13.144 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.963 -0.224 -12.011 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.510 1.159 -13.649 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -5.499 0.591 -12.981 1.00 0.00 N ATOM 0 H HIS A 86 -0.899 -1.634 -9.593 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.196 0.843 -10.790 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.768 -1.195 -11.950 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.957 -1.637 -10.741 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -5.516 -0.825 -11.304 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.619 1.852 -14.470 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -6.494 0.733 -13.156 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.538 0.138 -8.652 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.612 0.575 -7.800 1.00 0.00 C ATOM 1276 C LYS A 87 -4.106 1.651 -6.874 1.00 0.00 C ATOM 1277 O LYS A 87 -4.759 2.664 -6.665 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.081 -0.613 -7.010 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.297 -0.409 -6.162 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.317 -1.439 -5.059 1.00 0.00 C ATOM 1281 CE LYS A 87 -6.230 -2.879 -5.580 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.186 -3.870 -4.478 1.00 0.00 N ATOM 0 H LYS A 87 -3.359 -0.863 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.436 0.982 -8.387 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.282 -1.428 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.265 -0.938 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.294 0.595 -5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.197 -0.494 -6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.484 -1.253 -4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.232 -1.323 -4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.089 -3.085 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.340 -2.987 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.892 -4.794 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.505 -3.557 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.130 -3.955 -4.050 1.00 0.00 H new ATOM 1296 N THR A 88 -2.935 1.466 -6.430 1.00 0.00 N ATOM 1297 CA THR A 88 -2.380 2.272 -5.468 1.00 0.00 C ATOM 1298 C THR A 88 -1.927 3.584 -5.991 1.00 0.00 C ATOM 1299 O THR A 88 -2.429 4.569 -5.572 1.00 0.00 O ATOM 1300 CB THR A 88 -1.292 1.539 -4.794 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.889 0.524 -3.997 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.428 2.462 -3.986 1.00 0.00 C ATOM 0 H THR A 88 -2.323 0.715 -6.748 1.00 0.00 H new ATOM 0 HA THR A 88 -3.156 2.515 -4.743 1.00 0.00 H new ATOM 0 HB THR A 88 -0.627 1.084 -5.528 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.017 -0.283 -4.537 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.364 1.889 -3.503 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.015 3.212 -4.641 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.034 2.956 -3.226 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.021 3.601 -6.926 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.514 4.852 -7.423 1.00 0.00 C ATOM 1312 C LYS A 89 -1.604 5.698 -8.062 1.00 0.00 C ATOM 1313 O LYS A 89 -1.605 6.923 -7.933 1.00 0.00 O ATOM 1314 CB LYS A 89 0.736 4.639 -8.294 1.00 0.00 C ATOM 1315 CG LYS A 89 0.715 3.384 -9.126 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.197 3.453 -10.275 1.00 0.00 C ATOM 1317 CE LYS A 89 0.434 4.229 -11.436 1.00 0.00 C ATOM 1318 NZ LYS A 89 -0.445 4.319 -12.615 1.00 0.00 N ATOM 0 H LYS A 89 -0.619 2.770 -7.359 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.175 5.449 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.851 5.497 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.613 4.616 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.724 3.180 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.426 2.544 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.450 2.445 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.128 3.934 -9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.685 5.235 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.368 3.747 -11.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.133 4.318 -13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.091 3.504 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.998 5.199 -12.569 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.575 5.027 -8.689 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.749 5.737 -9.211 1.00 0.00 C ATOM 1334 C GLU A 90 -4.606 6.293 -8.067 1.00 0.00 C ATOM 1335 O GLU A 90 -5.061 7.473 -8.119 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.593 4.864 -10.132 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.894 4.495 -11.423 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.447 5.711 -12.197 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.245 6.258 -12.977 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.280 6.116 -12.060 1.00 0.00 O ATOM 0 H GLU A 90 -2.575 4.019 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.374 6.569 -9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.868 3.951 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.520 5.387 -10.367 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.029 3.870 -11.200 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.566 3.900 -12.041 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.743 5.503 -6.993 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.524 5.926 -5.846 1.00 0.00 C ATOM 1349 C TYR A 91 -4.833 7.086 -5.192 1.00 0.00 C ATOM 1350 O TYR A 91 -5.443 8.074 -4.936 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.718 4.779 -4.828 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.024 5.221 -3.412 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.193 5.906 -3.095 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.119 4.957 -2.392 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.441 6.315 -1.801 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.360 5.355 -1.108 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.517 6.036 -0.812 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.751 6.441 0.482 1.00 0.00 O ATOM 0 H TYR A 91 -4.323 4.578 -6.904 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.515 6.221 -6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.529 4.139 -5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.814 4.169 -4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.914 6.120 -3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.206 4.426 -2.619 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.349 6.849 -1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.645 5.136 -0.329 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.141 5.970 1.088 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.543 6.925 -4.956 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.679 7.938 -4.347 1.00 0.00 C ATOM 1370 C ILE A 92 -2.818 9.250 -5.029 1.00 0.00 C ATOM 1371 O ILE A 92 -3.107 10.242 -4.367 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.196 7.522 -4.400 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.960 6.244 -3.602 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.287 8.666 -3.929 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.739 6.427 -2.164 1.00 0.00 C ATOM 0 H ILE A 92 -3.047 6.064 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.997 8.028 -3.308 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.937 7.309 -5.437 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.819 5.588 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.096 5.729 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.754 8.346 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.430 9.533 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.539 8.932 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.582 5.456 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.140 7.052 -2.008 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.610 6.909 -1.720 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.616 9.264 -6.332 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.728 10.490 -7.069 1.00 0.00 C ATOM 1389 C LYS A 93 -4.071 11.104 -6.840 1.00 0.00 C ATOM 1390 O LYS A 93 -4.165 12.212 -6.293 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.458 10.286 -8.554 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.042 9.848 -8.826 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.759 9.689 -10.292 1.00 0.00 C ATOM 1394 CE LYS A 93 0.672 9.246 -10.488 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.021 9.080 -11.904 1.00 0.00 N ATOM 0 H LYS A 93 -2.376 8.445 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.964 11.176 -6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.148 9.539 -8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.657 11.215 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.352 10.578 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.854 8.902 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.440 8.957 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.932 10.632 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.341 9.979 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.832 8.303 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.012 8.776 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.403 8.362 -12.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.896 9.985 -12.401 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.109 10.312 -7.050 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.454 10.839 -6.980 1.00 0.00 C ATOM 1411 C LYS A 94 -6.752 11.305 -5.560 1.00 0.00 C ATOM 1412 O LYS A 94 -7.468 12.287 -5.345 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.480 9.796 -7.450 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.926 10.253 -7.381 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.877 9.139 -7.776 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.326 9.561 -7.596 1.00 0.00 C ATOM 1417 NZ LYS A 94 -12.273 8.470 -7.906 1.00 0.00 N ATOM 0 H LYS A 94 -5.045 9.317 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.532 11.695 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.250 9.518 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.368 8.897 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.156 10.588 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.071 11.108 -8.041 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.703 8.861 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.676 8.255 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.480 9.892 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.536 10.415 -8.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.247 8.807 -7.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.146 8.171 -8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.093 7.664 -7.274 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.173 10.612 -4.615 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.307 10.928 -3.257 1.00 0.00 C ATOM 1433 C TYR A 95 -5.665 12.264 -2.940 1.00 0.00 C ATOM 1434 O TYR A 95 -6.284 13.121 -2.400 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.675 9.828 -2.440 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.646 10.132 -0.978 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.806 10.069 -0.229 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.484 10.537 -0.355 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.809 10.381 1.101 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.482 10.856 0.980 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.651 10.771 1.705 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.659 11.079 3.046 1.00 0.00 O ATOM 0 H TYR A 95 -5.586 9.797 -4.794 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.365 11.011 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.224 8.901 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.657 9.661 -2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.728 9.767 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.568 10.604 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.724 10.319 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.568 11.172 1.460 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.317 10.317 3.559 1.00 0.00 H new ATOM 1452 N MET A 96 -4.429 12.436 -3.301 1.00 0.00 N ATOM 1453 CA MET A 96 -3.727 13.634 -2.981 1.00 0.00 C ATOM 1454 C MET A 96 -4.302 14.845 -3.674 1.00 0.00 C ATOM 1455 O MET A 96 -4.120 15.973 -3.213 1.00 0.00 O ATOM 1456 CB MET A 96 -2.262 13.481 -3.242 1.00 0.00 C ATOM 1457 CG MET A 96 -1.686 12.262 -2.544 1.00 0.00 C ATOM 1458 SD MET A 96 0.022 12.398 -2.123 1.00 0.00 S ATOM 1459 CE MET A 96 -0.066 13.832 -1.102 1.00 0.00 C ATOM 0 H MET A 96 -3.884 11.750 -3.824 1.00 0.00 H new ATOM 0 HA MET A 96 -3.858 13.809 -1.913 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.091 13.399 -4.315 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.738 14.375 -2.903 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.257 12.076 -1.635 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.820 11.393 -3.188 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.855 13.927 -0.527 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.197 14.716 -1.726 1.00 0.00 H new ATOM 0 HE3 MET A 96 -0.911 13.742 -0.420 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.059 14.601 -4.745 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.706 15.685 -5.475 1.00 0.00 C ATOM 1471 C GLN A 97 -6.711 16.425 -4.601 1.00 0.00 C ATOM 1472 O GLN A 97 -6.990 17.599 -4.827 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.393 15.211 -6.756 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.526 14.388 -7.693 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.141 14.960 -7.923 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.930 15.773 -8.814 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.186 14.487 -7.144 1.00 0.00 N ATOM 0 H GLN A 97 -5.236 13.670 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.906 16.368 -5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.266 14.619 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.757 16.084 -7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.428 13.381 -7.288 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.033 14.297 -8.653 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.411 13.811 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.223 14.798 -7.272 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.201 15.758 -3.569 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.218 16.336 -2.719 1.00 0.00 C ATOM 1488 C LYS A 98 -7.636 17.334 -1.732 1.00 0.00 C ATOM 1489 O LYS A 98 -8.368 18.105 -1.119 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.999 15.221 -1.998 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.242 14.456 -0.919 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.152 15.147 0.454 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.498 15.413 1.143 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.399 16.364 0.436 1.00 0.00 N ATOM 0 H LYS A 98 -6.909 14.818 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.909 16.893 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.887 15.663 -1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.344 14.507 -2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.720 13.485 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.230 14.267 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.540 14.531 1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.631 16.097 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.020 14.464 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.305 15.798 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.928 16.925 1.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.833 17.000 -0.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.066 15.833 -0.159 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.327 17.253 -1.515 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.663 18.182 -0.610 1.00 0.00 C ATOM 1510 C PHE A 99 -5.509 19.535 -1.258 1.00 0.00 C ATOM 1511 O PHE A 99 -5.554 20.557 -0.589 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.295 17.674 -0.118 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.358 16.481 0.786 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -4.946 16.583 2.039 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.838 15.252 0.385 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.021 15.478 2.865 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.900 14.147 1.223 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.497 14.268 2.459 1.00 0.00 C ATOM 0 H PHE A 99 -5.713 16.563 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.304 18.266 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.682 17.424 -0.984 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.789 18.484 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.347 17.530 2.370 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.381 15.158 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.492 15.562 3.833 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.484 13.201 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.555 13.411 3.114 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.353 19.533 -2.549 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.182 20.739 -3.262 1.00 0.00 C ATOM 1530 C GLY A 100 -3.746 20.945 -3.541 1.00 0.00 C ATOM 1531 O GLY A 100 -3.095 20.074 -4.083 1.00 0.00 O ATOM 0 H GLY A 100 -5.342 18.691 -3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.744 20.705 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.575 21.575 -2.684 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.235 22.034 -3.106 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.857 22.357 -3.330 1.00 0.00 C ATOM 1537 C ALA A 101 -0.988 21.712 -2.273 1.00 0.00 C ATOM 1538 O ALA A 101 0.034 21.103 -2.585 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.661 23.857 -3.336 1.00 0.00 C ATOM 0 H ALA A 101 -3.754 22.738 -2.581 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.562 21.968 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.609 24.086 -3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.263 24.299 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.970 24.268 -2.375 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.412 21.789 -1.028 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.591 21.273 0.057 1.00 0.00 C ATOM 1547 C VAL A 102 -1.321 20.123 0.715 1.00 0.00 C ATOM 1548 O VAL A 102 -2.548 20.060 0.705 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.264 22.335 1.129 1.00 0.00 C ATOM 1550 CG1 VAL A 102 0.971 21.988 1.923 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.195 23.730 0.564 1.00 0.00 C ATOM 0 H VAL A 102 -2.303 22.195 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 102 0.356 20.953 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.102 22.325 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.158 22.766 2.663 1.00 0.00 H new ATOM 0 HG12 VAL A 102 0.822 21.034 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.826 21.913 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.038 24.435 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.582 23.776 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.155 23.990 0.119 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.566 19.248 1.288 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.066 18.104 1.952 1.00 0.00 C ATOM 1563 C TYR A 103 -1.436 18.450 3.378 1.00 0.00 C ATOM 1564 O TYR A 103 -0.582 18.628 4.256 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.075 16.921 1.840 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.258 15.812 2.859 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.495 15.330 3.184 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.822 15.295 3.520 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.653 14.363 4.135 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.676 14.331 4.481 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.560 13.870 4.788 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.712 12.928 5.780 1.00 0.00 O ATOM 0 H TYR A 103 0.452 19.317 1.304 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.981 17.771 1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.162 16.491 0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.939 17.310 1.932 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.365 15.722 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.811 15.655 3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.639 13.990 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.543 13.940 4.992 1.00 0.00 H new ATOM 0 HH TYR A 103 0.169 12.662 6.116 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.703 18.598 3.561 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.300 18.871 4.834 1.00 0.00 C ATOM 1584 C LYS A 104 -4.210 17.733 5.300 1.00 0.00 C ATOM 1585 O LYS A 104 -5.399 17.712 4.998 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.004 20.204 4.783 1.00 0.00 C ATOM 1587 CG LYS A 104 -4.722 20.505 3.493 1.00 0.00 C ATOM 1588 CD LYS A 104 -5.178 21.955 3.491 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.521 22.439 2.098 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.737 21.814 1.554 1.00 0.00 N ATOM 0 H LYS A 104 -3.382 18.531 2.803 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.514 18.933 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.725 20.247 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.271 20.990 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.062 20.319 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -5.580 19.843 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.049 22.062 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.392 22.583 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.653 23.521 2.118 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.684 22.232 1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.497 21.273 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.146 21.174 2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.429 22.552 1.313 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.638 16.759 6.043 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.344 15.540 6.481 1.00 0.00 C ATOM 1606 C PRO A 105 -5.540 15.825 7.368 1.00 0.00 C ATOM 1607 O PRO A 105 -6.473 15.049 7.414 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.288 14.727 7.231 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.188 15.684 7.531 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.247 16.775 6.501 1.00 0.00 C ATOM 0 HA PRO A 105 -4.762 15.010 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.698 14.301 8.147 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.930 13.895 6.625 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.301 16.096 8.534 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.222 15.180 7.501 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.979 17.741 6.928 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.555 16.586 5.680 1.00 0.00 H new ATOM 1618 N LYS A 106 -5.493 16.934 8.085 1.00 0.00 N ATOM 1619 CA LYS A 106 -6.625 17.390 8.903 1.00 0.00 C ATOM 1620 C LYS A 106 -7.893 17.606 8.039 1.00 0.00 C ATOM 1621 O LYS A 106 -9.020 17.587 8.536 1.00 0.00 O ATOM 1622 CB LYS A 106 -6.253 18.682 9.635 1.00 0.00 C ATOM 1623 CG LYS A 106 -6.119 19.882 8.727 1.00 0.00 C ATOM 1624 CD LYS A 106 -5.576 21.083 9.448 1.00 0.00 C ATOM 1625 CE LYS A 106 -5.666 22.310 8.569 1.00 0.00 C ATOM 1626 NZ LYS A 106 -7.057 22.811 8.445 1.00 0.00 N ATOM 0 H LYS A 106 -4.679 17.547 8.123 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.850 16.615 9.636 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -7.011 18.892 10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -5.311 18.531 10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.462 19.633 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.093 20.125 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.135 21.246 10.369 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.539 20.906 9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.034 23.097 8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.277 22.074 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.059 23.699 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.638 22.104 7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.450 22.981 9.393 1.00 0.00 H new ATOM 1640 N GLU A 107 -7.685 17.769 6.749 1.00 0.00 N ATOM 1641 CA GLU A 107 -8.748 18.014 5.809 1.00 0.00 C ATOM 1642 C GLU A 107 -8.944 16.796 4.938 1.00 0.00 C ATOM 1643 O GLU A 107 -9.507 16.897 3.853 1.00 0.00 O ATOM 1644 CB GLU A 107 -8.407 19.210 4.913 1.00 0.00 C ATOM 1645 CG GLU A 107 -8.188 20.515 5.646 1.00 0.00 C ATOM 1646 CD GLU A 107 -9.351 20.885 6.527 1.00 0.00 C ATOM 1647 OE1 GLU A 107 -10.509 20.882 6.052 1.00 0.00 O ATOM 1648 OE2 GLU A 107 -9.136 21.162 7.724 1.00 0.00 O ATOM 0 H GLU A 107 -6.759 17.734 6.323 1.00 0.00 H new ATOM 0 HA GLU A 107 -9.659 18.229 6.367 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.507 18.974 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.213 19.346 4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.286 20.440 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.018 21.311 4.921 1.00 0.00 H new ATOM 1655 N ASP A 108 -8.496 15.644 5.417 1.00 0.00 N ATOM 1656 CA ASP A 108 -8.572 14.418 4.649 1.00 0.00 C ATOM 1657 C ASP A 108 -10.013 13.986 4.400 1.00 0.00 C ATOM 1658 O ASP A 108 -10.970 14.537 4.956 1.00 0.00 O ATOM 1659 CB ASP A 108 -7.783 13.266 5.290 1.00 0.00 C ATOM 1660 CG ASP A 108 -8.540 12.518 6.370 1.00 0.00 C ATOM 1661 OD1 ASP A 108 -8.715 13.037 7.485 1.00 0.00 O ATOM 1662 OD2 ASP A 108 -8.933 11.362 6.111 1.00 0.00 O ATOM 0 H ASP A 108 -8.074 15.537 6.340 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.108 14.647 3.689 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.494 12.561 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.863 13.665 5.717 1.00 0.00 H new ATOM 1667 N THR A 109 -10.128 12.997 3.586 1.00 0.00 N ATOM 1668 CA THR A 109 -11.379 12.495 3.092 1.00 0.00 C ATOM 1669 C THR A 109 -12.213 11.784 4.171 1.00 0.00 C ATOM 1670 O THR A 109 -13.461 11.875 4.157 1.00 0.00 O ATOM 1671 CB THR A 109 -11.098 11.548 1.892 1.00 0.00 C ATOM 1672 OG1 THR A 109 -12.308 11.011 1.347 1.00 0.00 O ATOM 1673 CG2 THR A 109 -10.167 10.417 2.318 1.00 0.00 C ATOM 0 H THR A 109 -9.322 12.487 3.225 1.00 0.00 H new ATOM 0 HA THR A 109 -11.980 13.345 2.770 1.00 0.00 H new ATOM 0 HB THR A 109 -10.615 12.137 1.113 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.094 10.422 0.594 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.979 9.761 1.468 1.00 0.00 H new ATOM 0 HG22 THR A 109 -9.224 10.835 2.670 1.00 0.00 H new ATOM 0 HG23 THR A 109 -10.633 9.845 3.121 1.00 0.00 H new TER 1681 THR A 109