USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 709 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 48 TYR OH : rot 180:sc= 0.463 USER MOD Set 1.2: A 68 ASN : amide:sc= 0.391 K(o=0.85,f=-1.5) USER MOD Set 2.1: A 9 GLN : amide:sc= 0.988 K(o=1.8,f=0) USER MOD Set 2.2: A 11 GLN : amide:sc= 0.859 K(o=1.8,f=-0.43) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -177:sc= 0.975 (180deg=0) USER MOD Set 3.2: A 10 GLN : amide:sc= 0.854 K(o=1.8,f=-5!) USER MOD Set 4.1: A 2 GLN : amide:sc= 0.847 K(o=1.8,f=-3.3) USER MOD Set 4.2: A 14 LYS NZ :NH3+ 170:sc= 0.985 (180deg=0) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.26 (180deg=-0.913) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.12 (180deg=1.57) USER MOD Single : A 4 THR OG1 : rot 79:sc= 0.0601 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.369 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.81 (180deg=1.41) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.06) USER MOD Single : A 44 GLN : amide:sc= 1.01 K(o=1,f=-2.6!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.26 (180deg=0.802) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -170:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 151:sc= 0.469 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -170:sc= -0.394 (180deg=-0.523) USER MOD Single : B 286 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : B 289 TYR OH : rot 180:sc= 0 USER MOD Single : B 291 MET CE :methyl -122:sc= 0 (180deg=-0.459) USER MOD Single : B 292 GLN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : B 293 MET CE :methyl 173:sc= -0.585 (180deg=-0.688) USER MOD Single : B 294 SER OG : rot -32:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.596 -6.940 -1.279 1.00 0.00 N ATOM 2 CA MET A 1 -3.661 -6.796 -2.421 1.00 0.00 C ATOM 3 C MET A 1 -2.852 -5.525 -2.245 1.00 0.00 C ATOM 4 O MET A 1 -3.381 -4.417 -2.259 1.00 0.00 O ATOM 5 CB MET A 1 -4.378 -6.806 -3.779 1.00 0.00 C ATOM 6 CG MET A 1 -3.424 -6.845 -4.981 1.00 0.00 C ATOM 7 SD MET A 1 -4.253 -6.891 -6.598 1.00 0.00 S ATOM 8 CE MET A 1 -4.242 -5.130 -7.048 1.00 0.00 C ATOM 0 H1 MET A 1 -4.900 -7.932 -1.202 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.117 -6.656 -0.401 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.427 -6.334 -1.432 1.00 0.00 H new ATOM 0 HA MET A 1 -2.997 -7.660 -2.423 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.040 -7.671 -3.824 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.007 -5.919 -3.854 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.776 -5.969 -4.943 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.781 -7.721 -4.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.989 -4.947 -7.821 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.475 -4.528 -6.169 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.256 -4.857 -7.424 1.00 0.00 H new ATOM 20 N GLN A 2 -1.555 -5.697 -2.048 1.00 0.00 N ATOM 21 CA GLN A 2 -0.614 -4.654 -1.647 1.00 0.00 C ATOM 22 C GLN A 2 0.006 -3.939 -2.859 1.00 0.00 C ATOM 23 O GLN A 2 1.162 -4.152 -3.223 1.00 0.00 O ATOM 24 CB GLN A 2 0.391 -5.255 -0.656 1.00 0.00 C ATOM 25 CG GLN A 2 0.848 -4.201 0.349 1.00 0.00 C ATOM 26 CD GLN A 2 1.997 -4.699 1.225 1.00 0.00 C ATOM 27 OE1 GLN A 2 3.145 -4.790 0.809 1.00 0.00 O ATOM 28 NE2 GLN A 2 1.748 -5.032 2.474 1.00 0.00 N ATOM 0 H GLN A 2 -1.106 -6.605 -2.167 1.00 0.00 H new ATOM 0 HA GLN A 2 -1.133 -3.851 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.065 -6.094 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.252 -5.648 -1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.163 -3.304 -0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.008 -3.916 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.799 -4.964 2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.504 -5.358 3.075 1.00 0.00 H new ATOM 37 N VAL A 3 -0.800 -3.091 -3.496 1.00 0.00 N ATOM 38 CA VAL A 3 -0.432 -2.241 -4.644 1.00 0.00 C ATOM 39 C VAL A 3 0.654 -1.238 -4.242 1.00 0.00 C ATOM 40 O VAL A 3 0.552 -0.610 -3.187 1.00 0.00 O ATOM 41 CB VAL A 3 -1.666 -1.474 -5.167 1.00 0.00 C ATOM 42 CG1 VAL A 3 -1.346 -0.620 -6.401 1.00 0.00 C ATOM 43 CG2 VAL A 3 -2.759 -2.447 -5.608 1.00 0.00 C ATOM 0 H VAL A 3 -1.774 -2.967 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.050 -2.888 -5.434 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.987 -0.841 -4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.247 -0.102 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.578 0.111 -6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.985 -1.262 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.620 -1.886 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.378 -3.086 -6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -3.060 -3.064 -4.761 1.00 0.00 H new ATOM 53 N THR A 4 1.679 -1.047 -5.075 1.00 0.00 N ATOM 54 CA THR A 4 2.651 0.048 -4.899 1.00 0.00 C ATOM 55 C THR A 4 2.121 1.334 -5.541 1.00 0.00 C ATOM 56 O THR A 4 1.591 1.316 -6.650 1.00 0.00 O ATOM 57 CB THR A 4 4.014 -0.314 -5.501 1.00 0.00 C ATOM 58 OG1 THR A 4 4.561 -1.432 -4.830 1.00 0.00 O ATOM 59 CG2 THR A 4 5.020 0.831 -5.363 1.00 0.00 C ATOM 0 H THR A 4 1.863 -1.638 -5.886 1.00 0.00 H new ATOM 0 HA THR A 4 2.785 0.208 -3.829 1.00 0.00 H new ATOM 0 HB THR A 4 3.843 -0.527 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.132 -2.251 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 4 5.972 0.534 -5.802 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.641 1.712 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.164 1.064 -4.308 1.00 0.00 H new ATOM 67 N LEU A 5 2.274 2.467 -4.863 1.00 0.00 N ATOM 68 CA LEU A 5 1.827 3.799 -5.272 1.00 0.00 C ATOM 69 C LEU A 5 3.030 4.711 -5.541 1.00 0.00 C ATOM 70 O LEU A 5 4.069 4.595 -4.886 1.00 0.00 O ATOM 71 CB LEU A 5 0.983 4.384 -4.123 1.00 0.00 C ATOM 72 CG LEU A 5 -0.471 3.886 -3.983 1.00 0.00 C ATOM 73 CD1 LEU A 5 -1.418 4.908 -4.598 1.00 0.00 C ATOM 74 CD2 LEU A 5 -0.799 2.491 -4.515 1.00 0.00 C ATOM 0 H LEU A 5 2.742 2.483 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 5 1.242 3.730 -6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.501 4.178 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.958 5.467 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.606 3.782 -2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.445 4.557 -4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.309 5.862 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.178 5.037 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.855 2.277 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.584 2.449 -5.583 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.192 1.751 -3.994 1.00 0.00 H new ATOM 86 N LYS A 6 2.840 5.668 -6.453 1.00 0.00 N ATOM 87 CA LYS A 6 3.754 6.787 -6.743 1.00 0.00 C ATOM 88 C LYS A 6 2.980 8.097 -6.935 1.00 0.00 C ATOM 89 O LYS A 6 2.047 8.159 -7.738 1.00 0.00 O ATOM 90 CB LYS A 6 4.656 6.454 -7.950 1.00 0.00 C ATOM 91 CG LYS A 6 5.557 7.650 -8.314 1.00 0.00 C ATOM 92 CD LYS A 6 6.725 7.309 -9.250 1.00 0.00 C ATOM 93 CE LYS A 6 8.019 7.028 -8.476 1.00 0.00 C ATOM 94 NZ LYS A 6 9.188 6.948 -9.393 1.00 0.00 N ATOM 0 H LYS A 6 2.006 5.689 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 6 4.408 6.933 -5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.274 5.586 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.038 6.186 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.945 8.419 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.958 8.079 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.465 6.437 -9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.889 8.136 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.184 7.815 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.921 6.092 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.041 6.707 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.017 6.215 -10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.325 7.866 -9.862 1.00 0.00 H new ATOM 108 N THR A 7 3.364 9.135 -6.192 1.00 0.00 N ATOM 109 CA THR A 7 2.813 10.499 -6.302 1.00 0.00 C ATOM 110 C THR A 7 3.426 11.282 -7.472 1.00 0.00 C ATOM 111 O THR A 7 4.465 10.899 -8.015 1.00 0.00 O ATOM 112 CB THR A 7 3.023 11.297 -5.001 1.00 0.00 C ATOM 113 OG1 THR A 7 4.357 11.747 -4.885 1.00 0.00 O ATOM 114 CG2 THR A 7 2.705 10.499 -3.736 1.00 0.00 C ATOM 0 H THR A 7 4.086 9.055 -5.476 1.00 0.00 H new ATOM 0 HA THR A 7 1.746 10.378 -6.486 1.00 0.00 H new ATOM 0 HB THR A 7 2.328 12.133 -5.076 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.461 12.252 -4.051 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.875 11.124 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.662 10.182 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.350 9.622 -3.687 1.00 0.00 H new ATOM 122 N LEU A 8 2.852 12.439 -7.826 1.00 0.00 N ATOM 123 CA LEU A 8 3.453 13.382 -8.787 1.00 0.00 C ATOM 124 C LEU A 8 4.754 14.044 -8.289 1.00 0.00 C ATOM 125 O LEU A 8 5.549 14.522 -9.099 1.00 0.00 O ATOM 126 CB LEU A 8 2.428 14.458 -9.177 1.00 0.00 C ATOM 127 CG LEU A 8 1.192 13.946 -9.933 1.00 0.00 C ATOM 128 CD1 LEU A 8 0.319 15.117 -10.379 1.00 0.00 C ATOM 129 CD2 LEU A 8 1.557 13.192 -11.200 1.00 0.00 C ATOM 0 H LEU A 8 1.955 12.751 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 8 3.733 12.790 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.095 14.964 -8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.927 15.205 -9.794 1.00 0.00 H new ATOM 0 HG LEU A 8 0.674 13.285 -9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.552 14.738 -10.913 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.008 15.681 -9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.893 15.769 -11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.648 12.852 -11.696 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.110 13.851 -11.869 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.175 12.331 -10.946 1.00 0.00 H new ATOM 141 N GLN A 9 5.006 14.033 -6.976 1.00 0.00 N ATOM 142 CA GLN A 9 6.284 14.420 -6.358 1.00 0.00 C ATOM 143 C GLN A 9 7.300 13.246 -6.367 1.00 0.00 C ATOM 144 O GLN A 9 8.390 13.342 -5.802 1.00 0.00 O ATOM 145 CB GLN A 9 5.979 14.991 -4.958 1.00 0.00 C ATOM 146 CG GLN A 9 7.175 15.693 -4.289 1.00 0.00 C ATOM 147 CD GLN A 9 6.748 16.719 -3.237 1.00 0.00 C ATOM 148 OE1 GLN A 9 7.015 17.910 -3.346 1.00 0.00 O ATOM 149 NE2 GLN A 9 6.081 16.323 -2.173 1.00 0.00 N ATOM 0 H GLN A 9 4.307 13.746 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 9 6.779 15.200 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 9 5.155 15.700 -5.038 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.641 14.180 -4.313 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.815 14.944 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.773 16.190 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.845 15.337 -2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.800 17.002 -1.465 1.00 0.00 H new ATOM 158 N GLN A 10 6.951 12.132 -7.027 1.00 0.00 N ATOM 159 CA GLN A 10 7.670 10.855 -7.088 1.00 0.00 C ATOM 160 C GLN A 10 7.999 10.251 -5.712 1.00 0.00 C ATOM 161 O GLN A 10 9.017 9.578 -5.534 1.00 0.00 O ATOM 162 CB GLN A 10 8.861 10.923 -8.061 1.00 0.00 C ATOM 163 CG GLN A 10 8.407 11.210 -9.501 1.00 0.00 C ATOM 164 CD GLN A 10 9.425 10.700 -10.516 1.00 0.00 C ATOM 165 OE1 GLN A 10 9.607 9.499 -10.689 1.00 0.00 O ATOM 166 NE2 GLN A 10 10.131 11.565 -11.213 1.00 0.00 N ATOM 0 H GLN A 10 6.091 12.100 -7.574 1.00 0.00 H new ATOM 0 HA GLN A 10 6.977 10.128 -7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.552 11.701 -7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 10 9.407 9.980 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.442 10.736 -9.681 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.265 12.283 -9.633 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.989 12.566 -11.078 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.820 11.234 -11.888 1.00 0.00 H new ATOM 175 N GLN A 11 7.090 10.427 -4.749 1.00 0.00 N ATOM 176 CA GLN A 11 7.137 9.746 -3.454 1.00 0.00 C ATOM 177 C GLN A 11 6.412 8.406 -3.579 1.00 0.00 C ATOM 178 O GLN A 11 5.392 8.320 -4.264 1.00 0.00 O ATOM 179 CB GLN A 11 6.499 10.616 -2.364 1.00 0.00 C ATOM 180 CG GLN A 11 7.245 11.946 -2.199 1.00 0.00 C ATOM 181 CD GLN A 11 6.587 12.824 -1.141 1.00 0.00 C ATOM 182 OE1 GLN A 11 5.687 13.605 -1.423 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.000 12.746 0.106 1.00 0.00 N ATOM 0 H GLN A 11 6.292 11.054 -4.849 1.00 0.00 H new ATOM 0 HA GLN A 11 8.174 9.571 -3.167 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.457 10.811 -2.616 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.502 10.076 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.281 11.752 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.265 12.475 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.749 12.100 0.356 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.571 13.332 0.823 1.00 0.00 H new ATOM 192 N THR A 12 6.939 7.354 -2.953 1.00 0.00 N ATOM 193 CA THR A 12 6.423 5.985 -3.106 1.00 0.00 C ATOM 194 C THR A 12 6.119 5.325 -1.766 1.00 0.00 C ATOM 195 O THR A 12 6.886 5.421 -0.805 1.00 0.00 O ATOM 196 CB THR A 12 7.354 5.095 -3.951 1.00 0.00 C ATOM 197 OG1 THR A 12 8.679 5.097 -3.451 1.00 0.00 O ATOM 198 CG2 THR A 12 7.425 5.567 -5.405 1.00 0.00 C ATOM 0 H THR A 12 7.738 7.423 -2.323 1.00 0.00 H new ATOM 0 HA THR A 12 5.482 6.085 -3.647 1.00 0.00 H new ATOM 0 HB THR A 12 6.928 4.093 -3.896 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.241 4.521 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.092 4.913 -5.968 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.429 5.536 -5.847 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.805 6.588 -5.438 1.00 0.00 H new ATOM 206 N PHE A 13 4.975 4.649 -1.718 1.00 0.00 N ATOM 207 CA PHE A 13 4.454 3.878 -0.586 1.00 0.00 C ATOM 208 C PHE A 13 3.620 2.702 -1.110 1.00 0.00 C ATOM 209 O PHE A 13 3.463 2.540 -2.321 1.00 0.00 O ATOM 210 CB PHE A 13 3.641 4.797 0.349 1.00 0.00 C ATOM 211 CG PHE A 13 2.505 5.579 -0.298 1.00 0.00 C ATOM 212 CD1 PHE A 13 2.758 6.835 -0.885 1.00 0.00 C ATOM 213 CD2 PHE A 13 1.189 5.075 -0.283 1.00 0.00 C ATOM 214 CE1 PHE A 13 1.709 7.575 -1.458 1.00 0.00 C ATOM 215 CE2 PHE A 13 0.141 5.816 -0.862 1.00 0.00 C ATOM 216 CZ PHE A 13 0.400 7.064 -1.453 1.00 0.00 C ATOM 0 H PHE A 13 4.344 4.621 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 13 5.278 3.469 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.224 4.188 1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.326 5.507 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.763 7.231 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.984 4.118 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.910 8.538 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.865 5.424 -0.852 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.404 7.629 -1.902 1.00 0.00 H new ATOM 226 N LYS A 14 3.076 1.870 -0.219 1.00 0.00 N ATOM 227 CA LYS A 14 2.189 0.756 -0.579 1.00 0.00 C ATOM 228 C LYS A 14 0.805 0.894 0.062 1.00 0.00 C ATOM 229 O LYS A 14 0.661 1.477 1.138 1.00 0.00 O ATOM 230 CB LYS A 14 2.867 -0.567 -0.202 1.00 0.00 C ATOM 231 CG LYS A 14 4.235 -0.716 -0.892 1.00 0.00 C ATOM 232 CD LYS A 14 4.848 -2.094 -0.658 1.00 0.00 C ATOM 233 CE LYS A 14 5.320 -2.292 0.789 1.00 0.00 C ATOM 234 NZ LYS A 14 5.756 -3.693 1.021 1.00 0.00 N ATOM 0 H LYS A 14 3.239 1.950 0.785 1.00 0.00 H new ATOM 0 HA LYS A 14 2.021 0.773 -1.656 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.996 -0.616 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.223 -1.400 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.121 -0.547 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.914 0.051 -0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.114 -2.861 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.692 -2.232 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.144 -1.611 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.512 -2.040 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.225 -3.762 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.928 -4.321 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.421 -3.978 0.274 1.00 0.00 H new ATOM 248 N ILE A 15 -0.204 0.335 -0.601 1.00 0.00 N ATOM 249 CA ILE A 15 -1.622 0.341 -0.225 1.00 0.00 C ATOM 250 C ILE A 15 -2.159 -1.084 -0.319 1.00 0.00 C ATOM 251 O ILE A 15 -2.309 -1.639 -1.406 1.00 0.00 O ATOM 252 CB ILE A 15 -2.412 1.341 -1.105 1.00 0.00 C ATOM 253 CG1 ILE A 15 -2.121 2.796 -0.691 1.00 0.00 C ATOM 254 CG2 ILE A 15 -3.928 1.104 -1.110 1.00 0.00 C ATOM 255 CD1 ILE A 15 -2.692 3.256 0.661 1.00 0.00 C ATOM 0 H ILE A 15 -0.046 -0.169 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.743 0.680 0.804 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.060 1.165 -2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.040 2.934 -0.669 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.510 3.455 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.410 1.844 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.139 0.104 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.314 1.195 -0.095 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.418 4.296 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.778 3.164 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.285 2.634 1.458 1.00 0.00 H new ATOM 267 N ASP A 16 -2.421 -1.691 0.838 1.00 0.00 N ATOM 268 CA ASP A 16 -3.135 -2.972 0.917 1.00 0.00 C ATOM 269 C ASP A 16 -4.651 -2.765 0.740 1.00 0.00 C ATOM 270 O ASP A 16 -5.383 -2.516 1.701 1.00 0.00 O ATOM 271 CB ASP A 16 -2.829 -3.730 2.213 1.00 0.00 C ATOM 272 CG ASP A 16 -3.459 -5.139 2.209 1.00 0.00 C ATOM 273 OD1 ASP A 16 -3.578 -5.758 1.121 1.00 0.00 O ATOM 274 OD2 ASP A 16 -3.818 -5.641 3.301 1.00 0.00 O ATOM 0 H ASP A 16 -2.147 -1.313 1.745 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.774 -3.592 0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.750 -3.814 2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.207 -3.164 3.064 1.00 0.00 H new ATOM 279 N ILE A 17 -5.115 -2.841 -0.504 1.00 0.00 N ATOM 280 CA ILE A 17 -6.515 -2.671 -0.921 1.00 0.00 C ATOM 281 C ILE A 17 -7.144 -4.022 -1.298 1.00 0.00 C ATOM 282 O ILE A 17 -6.474 -4.909 -1.829 1.00 0.00 O ATOM 283 CB ILE A 17 -6.602 -1.614 -2.052 1.00 0.00 C ATOM 284 CG1 ILE A 17 -8.026 -1.437 -2.617 1.00 0.00 C ATOM 285 CG2 ILE A 17 -5.627 -1.898 -3.215 1.00 0.00 C ATOM 286 CD1 ILE A 17 -9.060 -0.971 -1.586 1.00 0.00 C ATOM 0 H ILE A 17 -4.498 -3.032 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.104 -2.293 -0.085 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.309 -0.682 -1.568 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.993 -0.715 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.356 -2.385 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.734 -1.125 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.604 -1.899 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.855 -2.871 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.034 -0.872 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.126 -1.702 -0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.757 -0.007 -1.177 1.00 0.00 H new ATOM 298 N ASP A 18 -8.437 -4.206 -1.027 1.00 0.00 N ATOM 299 CA ASP A 18 -9.186 -5.398 -1.454 1.00 0.00 C ATOM 300 C ASP A 18 -9.459 -5.359 -2.982 1.00 0.00 C ATOM 301 O ASP A 18 -10.166 -4.457 -3.442 1.00 0.00 O ATOM 302 CB ASP A 18 -10.482 -5.493 -0.636 1.00 0.00 C ATOM 303 CG ASP A 18 -11.214 -6.833 -0.834 1.00 0.00 C ATOM 304 OD1 ASP A 18 -11.278 -7.336 -1.980 1.00 0.00 O ATOM 305 OD2 ASP A 18 -11.715 -7.395 0.170 1.00 0.00 O ATOM 0 H ASP A 18 -8.999 -3.534 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.594 -6.294 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.250 -5.364 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.146 -4.676 -0.919 1.00 0.00 H new ATOM 310 N PRO A 19 -8.917 -6.289 -3.797 1.00 0.00 N ATOM 311 CA PRO A 19 -9.032 -6.236 -5.258 1.00 0.00 C ATOM 312 C PRO A 19 -10.439 -6.565 -5.791 1.00 0.00 C ATOM 313 O PRO A 19 -10.732 -6.264 -6.950 1.00 0.00 O ATOM 314 CB PRO A 19 -7.998 -7.240 -5.768 1.00 0.00 C ATOM 315 CG PRO A 19 -7.976 -8.300 -4.668 1.00 0.00 C ATOM 316 CD PRO A 19 -8.157 -7.466 -3.399 1.00 0.00 C ATOM 0 HA PRO A 19 -8.854 -5.221 -5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.287 -7.663 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.020 -6.778 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.777 -9.029 -4.792 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.038 -8.855 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.687 -8.032 -2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.193 -7.183 -2.977 1.00 0.00 H new ATOM 324 N GLU A 20 -11.323 -7.157 -4.981 1.00 0.00 N ATOM 325 CA GLU A 20 -12.726 -7.390 -5.338 1.00 0.00 C ATOM 326 C GLU A 20 -13.583 -6.115 -5.196 1.00 0.00 C ATOM 327 O GLU A 20 -14.668 -6.028 -5.776 1.00 0.00 O ATOM 328 CB GLU A 20 -13.308 -8.502 -4.450 1.00 0.00 C ATOM 329 CG GLU A 20 -12.541 -9.834 -4.488 1.00 0.00 C ATOM 330 CD GLU A 20 -12.488 -10.444 -5.902 1.00 0.00 C ATOM 331 OE1 GLU A 20 -13.541 -10.904 -6.409 1.00 0.00 O ATOM 332 OE2 GLU A 20 -11.390 -10.489 -6.509 1.00 0.00 O ATOM 0 H GLU A 20 -11.081 -7.492 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.752 -7.691 -6.385 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.336 -8.146 -3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.339 -8.685 -4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.525 -9.675 -4.126 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.015 -10.542 -3.808 1.00 0.00 H new ATOM 339 N GLU A 21 -13.102 -5.113 -4.451 1.00 0.00 N ATOM 340 CA GLU A 21 -13.692 -3.772 -4.367 1.00 0.00 C ATOM 341 C GLU A 21 -13.306 -2.890 -5.574 1.00 0.00 C ATOM 342 O GLU A 21 -12.573 -3.296 -6.485 1.00 0.00 O ATOM 343 CB GLU A 21 -13.293 -3.090 -3.044 1.00 0.00 C ATOM 344 CG GLU A 21 -13.733 -3.841 -1.780 1.00 0.00 C ATOM 345 CD GLU A 21 -15.266 -3.998 -1.670 1.00 0.00 C ATOM 346 OE1 GLU A 21 -16.009 -3.018 -1.922 1.00 0.00 O ATOM 347 OE2 GLU A 21 -15.744 -5.103 -1.312 1.00 0.00 O ATOM 0 H GLU A 21 -12.268 -5.216 -3.873 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.775 -3.891 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.209 -2.974 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.722 -2.088 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.271 -4.828 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.364 -3.310 -0.902 1.00 0.00 H new ATOM 354 N THR A 22 -13.838 -1.666 -5.603 1.00 0.00 N ATOM 355 CA THR A 22 -13.688 -0.737 -6.728 1.00 0.00 C ATOM 356 C THR A 22 -12.512 0.229 -6.581 1.00 0.00 C ATOM 357 O THR A 22 -11.839 0.298 -5.551 1.00 0.00 O ATOM 358 CB THR A 22 -14.988 0.034 -6.987 1.00 0.00 C ATOM 359 OG1 THR A 22 -15.252 0.900 -5.903 1.00 0.00 O ATOM 360 CG2 THR A 22 -16.194 -0.881 -7.185 1.00 0.00 C ATOM 0 H THR A 22 -14.393 -1.286 -4.836 1.00 0.00 H new ATOM 0 HA THR A 22 -13.463 -1.361 -7.593 1.00 0.00 H new ATOM 0 HB THR A 22 -14.840 0.594 -7.911 1.00 0.00 H new ATOM 0 HG1 THR A 22 -16.082 1.392 -6.072 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.083 -0.277 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.020 -1.533 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.341 -1.487 -6.291 1.00 0.00 H new ATOM 368 N VAL A 23 -12.262 1.019 -7.624 1.00 0.00 N ATOM 369 CA VAL A 23 -11.260 2.097 -7.616 1.00 0.00 C ATOM 370 C VAL A 23 -11.591 3.173 -6.569 1.00 0.00 C ATOM 371 O VAL A 23 -10.682 3.730 -5.953 1.00 0.00 O ATOM 372 CB VAL A 23 -11.162 2.708 -9.021 1.00 0.00 C ATOM 373 CG1 VAL A 23 -10.245 3.936 -9.086 1.00 0.00 C ATOM 374 CG2 VAL A 23 -10.653 1.670 -10.032 1.00 0.00 C ATOM 0 H VAL A 23 -12.754 0.931 -8.513 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.295 1.673 -7.338 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.174 3.027 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.221 4.318 -10.106 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.624 4.709 -8.418 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.237 3.654 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.591 2.125 -11.021 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.665 1.322 -9.730 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -11.341 0.825 -10.064 1.00 0.00 H new ATOM 384 N LYS A 24 -12.875 3.431 -6.288 1.00 0.00 N ATOM 385 CA LYS A 24 -13.293 4.292 -5.170 1.00 0.00 C ATOM 386 C LYS A 24 -12.782 3.770 -3.819 1.00 0.00 C ATOM 387 O LYS A 24 -12.372 4.569 -2.981 1.00 0.00 O ATOM 388 CB LYS A 24 -14.821 4.462 -5.191 1.00 0.00 C ATOM 389 CG LYS A 24 -15.286 5.576 -4.239 1.00 0.00 C ATOM 390 CD LYS A 24 -16.801 5.798 -4.346 1.00 0.00 C ATOM 391 CE LYS A 24 -17.234 6.925 -3.400 1.00 0.00 C ATOM 392 NZ LYS A 24 -18.701 7.162 -3.466 1.00 0.00 N ATOM 0 H LYS A 24 -13.653 3.050 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.838 5.274 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.147 4.692 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.295 3.522 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.025 5.314 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.762 6.502 -4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.068 6.051 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.330 4.879 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.951 6.672 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.705 7.842 -3.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.958 7.930 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.966 7.428 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -19.205 6.294 -3.195 1.00 0.00 H new ATOM 406 N ALA A 25 -12.734 2.450 -3.617 1.00 0.00 N ATOM 407 CA ALA A 25 -12.127 1.841 -2.430 1.00 0.00 C ATOM 408 C ALA A 25 -10.590 1.993 -2.396 1.00 0.00 C ATOM 409 O ALA A 25 -10.033 2.271 -1.336 1.00 0.00 O ATOM 410 CB ALA A 25 -12.570 0.380 -2.318 1.00 0.00 C ATOM 0 H ALA A 25 -13.117 1.771 -4.275 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.484 2.381 -1.553 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.117 -0.071 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.656 0.335 -2.233 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.253 -0.166 -3.207 1.00 0.00 H new ATOM 416 N LEU A 26 -9.885 1.882 -3.531 1.00 0.00 N ATOM 417 CA LEU A 26 -8.459 2.227 -3.632 1.00 0.00 C ATOM 418 C LEU A 26 -8.218 3.661 -3.126 1.00 0.00 C ATOM 419 O LEU A 26 -7.460 3.872 -2.176 1.00 0.00 O ATOM 420 CB LEU A 26 -7.978 1.969 -5.079 1.00 0.00 C ATOM 421 CG LEU A 26 -6.590 2.517 -5.451 1.00 0.00 C ATOM 422 CD1 LEU A 26 -5.546 2.081 -4.435 1.00 0.00 C ATOM 423 CD2 LEU A 26 -6.177 1.999 -6.829 1.00 0.00 C ATOM 0 H LEU A 26 -10.288 1.550 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.856 1.590 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.977 0.893 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.709 2.400 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.650 3.605 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.573 2.481 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.819 2.457 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.497 0.992 -4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.193 2.392 -7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.140 0.910 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.903 2.326 -7.573 1.00 0.00 H new ATOM 435 N LYS A 27 -8.938 4.632 -3.695 1.00 0.00 N ATOM 436 CA LYS A 27 -8.982 6.023 -3.213 1.00 0.00 C ATOM 437 C LYS A 27 -9.292 6.140 -1.716 1.00 0.00 C ATOM 438 O LYS A 27 -8.620 6.913 -1.034 1.00 0.00 O ATOM 439 CB LYS A 27 -9.948 6.879 -4.046 1.00 0.00 C ATOM 440 CG LYS A 27 -9.503 7.052 -5.506 1.00 0.00 C ATOM 441 CD LYS A 27 -10.451 8.014 -6.229 1.00 0.00 C ATOM 442 CE LYS A 27 -10.053 8.184 -7.699 1.00 0.00 C ATOM 443 NZ LYS A 27 -10.943 9.164 -8.367 1.00 0.00 N ATOM 0 H LYS A 27 -9.519 4.475 -4.519 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.974 6.414 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.937 6.421 -4.027 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.043 7.861 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.484 7.437 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.497 6.086 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.472 7.638 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.438 8.984 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.018 8.519 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.110 7.223 -8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.835 9.084 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.931 8.970 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.688 10.126 -8.066 1.00 0.00 H new ATOM 457 N GLU A 28 -10.260 5.385 -1.184 1.00 0.00 N ATOM 458 CA GLU A 28 -10.585 5.368 0.255 1.00 0.00 C ATOM 459 C GLU A 28 -9.393 4.945 1.123 1.00 0.00 C ATOM 460 O GLU A 28 -9.090 5.603 2.119 1.00 0.00 O ATOM 461 CB GLU A 28 -11.871 4.556 0.561 1.00 0.00 C ATOM 462 CG GLU A 28 -11.756 3.218 1.329 1.00 0.00 C ATOM 463 CD GLU A 28 -13.155 2.702 1.718 1.00 0.00 C ATOM 464 OE1 GLU A 28 -13.802 2.002 0.902 1.00 0.00 O ATOM 465 OE2 GLU A 28 -13.620 2.989 2.850 1.00 0.00 O ATOM 0 H GLU A 28 -10.846 4.763 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.805 6.399 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.540 5.203 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.361 4.347 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.247 2.479 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.150 3.356 2.224 1.00 0.00 H new ATOM 472 N LYS A 29 -8.687 3.874 0.744 1.00 0.00 N ATOM 473 CA LYS A 29 -7.510 3.380 1.456 1.00 0.00 C ATOM 474 C LYS A 29 -6.334 4.361 1.381 1.00 0.00 C ATOM 475 O LYS A 29 -5.669 4.578 2.392 1.00 0.00 O ATOM 476 CB LYS A 29 -7.185 1.978 0.919 1.00 0.00 C ATOM 477 CG LYS A 29 -6.219 1.190 1.808 1.00 0.00 C ATOM 478 CD LYS A 29 -6.784 0.824 3.190 1.00 0.00 C ATOM 479 CE LYS A 29 -5.773 -0.037 3.955 1.00 0.00 C ATOM 480 NZ LYS A 29 -6.290 -0.436 5.290 1.00 0.00 N ATOM 0 H LYS A 29 -8.923 3.320 -0.079 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.719 3.302 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.112 1.414 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.755 2.071 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.934 0.274 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.310 1.775 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.004 1.730 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.724 0.283 3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.541 -0.929 3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.842 0.516 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.579 -1.017 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.488 0.415 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.165 -0.985 5.173 1.00 0.00 H new ATOM 494 N ILE A 30 -6.127 5.017 0.235 1.00 0.00 N ATOM 495 CA ILE A 30 -5.170 6.128 0.078 1.00 0.00 C ATOM 496 C ILE A 30 -5.532 7.297 1.009 1.00 0.00 C ATOM 497 O ILE A 30 -4.672 7.778 1.744 1.00 0.00 O ATOM 498 CB ILE A 30 -5.081 6.583 -1.397 1.00 0.00 C ATOM 499 CG1 ILE A 30 -4.527 5.460 -2.303 1.00 0.00 C ATOM 500 CG2 ILE A 30 -4.185 7.831 -1.537 1.00 0.00 C ATOM 501 CD1 ILE A 30 -4.904 5.651 -3.777 1.00 0.00 C ATOM 0 H ILE A 30 -6.625 4.791 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.183 5.768 0.367 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.095 6.827 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.441 5.426 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.906 4.499 -1.957 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.139 8.130 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.601 8.646 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.181 7.600 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.489 4.834 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.989 5.656 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.502 6.599 -4.136 1.00 0.00 H new ATOM 513 N GLU A 31 -6.793 7.741 1.021 1.00 0.00 N ATOM 514 CA GLU A 31 -7.268 8.809 1.913 1.00 0.00 C ATOM 515 C GLU A 31 -7.066 8.439 3.395 1.00 0.00 C ATOM 516 O GLU A 31 -6.591 9.259 4.179 1.00 0.00 O ATOM 517 CB GLU A 31 -8.747 9.124 1.623 1.00 0.00 C ATOM 518 CG GLU A 31 -9.226 10.369 2.382 1.00 0.00 C ATOM 519 CD GLU A 31 -10.746 10.564 2.275 1.00 0.00 C ATOM 520 OE1 GLU A 31 -11.487 9.996 3.111 1.00 0.00 O ATOM 521 OE2 GLU A 31 -11.206 11.350 1.417 1.00 0.00 O ATOM 0 H GLU A 31 -7.519 7.368 0.409 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.674 9.702 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.883 9.277 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.362 8.269 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.945 10.283 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.720 11.250 1.988 1.00 0.00 H new ATOM 528 N SER A 32 -7.382 7.199 3.781 1.00 0.00 N ATOM 529 CA SER A 32 -7.171 6.662 5.132 1.00 0.00 C ATOM 530 C SER A 32 -5.689 6.672 5.545 1.00 0.00 C ATOM 531 O SER A 32 -5.350 7.104 6.649 1.00 0.00 O ATOM 532 CB SER A 32 -7.749 5.243 5.210 1.00 0.00 C ATOM 533 OG SER A 32 -7.731 4.764 6.546 1.00 0.00 O ATOM 0 H SER A 32 -7.803 6.521 3.146 1.00 0.00 H new ATOM 0 HA SER A 32 -7.691 7.311 5.837 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.771 5.241 4.832 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.171 4.575 4.571 1.00 0.00 H new ATOM 0 HG SER A 32 -8.105 3.859 6.574 1.00 0.00 H new ATOM 539 N GLU A 33 -4.789 6.235 4.656 1.00 0.00 N ATOM 540 CA GLU A 33 -3.338 6.207 4.878 1.00 0.00 C ATOM 541 C GLU A 33 -2.722 7.617 4.967 1.00 0.00 C ATOM 542 O GLU A 33 -2.042 7.942 5.945 1.00 0.00 O ATOM 543 CB GLU A 33 -2.677 5.392 3.750 1.00 0.00 C ATOM 544 CG GLU A 33 -1.195 5.069 3.988 1.00 0.00 C ATOM 545 CD GLU A 33 -0.982 4.155 5.213 1.00 0.00 C ATOM 546 OE1 GLU A 33 -1.371 2.963 5.167 1.00 0.00 O ATOM 547 OE2 GLU A 33 -0.417 4.621 6.232 1.00 0.00 O ATOM 0 H GLU A 33 -5.057 5.882 3.738 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.152 5.734 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.225 4.458 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.771 5.945 2.815 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.784 4.586 3.102 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.642 5.997 4.130 1.00 0.00 H new ATOM 554 N LYS A 34 -2.930 8.452 3.939 1.00 0.00 N ATOM 555 CA LYS A 34 -2.248 9.749 3.757 1.00 0.00 C ATOM 556 C LYS A 34 -2.953 10.938 4.427 1.00 0.00 C ATOM 557 O LYS A 34 -2.328 11.975 4.656 1.00 0.00 O ATOM 558 CB LYS A 34 -2.058 10.025 2.252 1.00 0.00 C ATOM 559 CG LYS A 34 -1.387 8.892 1.446 1.00 0.00 C ATOM 560 CD LYS A 34 -0.032 8.424 1.998 1.00 0.00 C ATOM 561 CE LYS A 34 1.045 9.509 1.877 1.00 0.00 C ATOM 562 NZ LYS A 34 2.361 9.022 2.367 1.00 0.00 N ATOM 0 H LYS A 34 -3.592 8.243 3.192 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.285 9.659 4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.034 10.231 1.812 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.461 10.930 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.064 8.039 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.248 9.229 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.145 8.141 3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.290 7.532 1.460 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.135 9.820 0.836 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.745 10.388 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.068 9.778 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.279 8.748 3.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.657 8.198 1.805 1.00 0.00 H new ATOM 576 N GLY A 35 -4.234 10.785 4.757 1.00 0.00 N ATOM 577 CA GLY A 35 -5.131 11.803 5.318 1.00 0.00 C ATOM 578 C GLY A 35 -5.878 12.613 4.248 1.00 0.00 C ATOM 579 O GLY A 35 -5.378 12.822 3.136 1.00 0.00 O ATOM 0 H GLY A 35 -4.707 9.890 4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.858 11.317 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.551 12.485 5.940 1.00 0.00 H new ATOM 583 N LYS A 36 -7.061 13.137 4.606 1.00 0.00 N ATOM 584 CA LYS A 36 -7.920 13.961 3.725 1.00 0.00 C ATOM 585 C LYS A 36 -7.261 15.277 3.296 1.00 0.00 C ATOM 586 O LYS A 36 -7.544 15.782 2.214 1.00 0.00 O ATOM 587 CB LYS A 36 -9.262 14.291 4.404 1.00 0.00 C ATOM 588 CG LYS A 36 -10.092 13.074 4.838 1.00 0.00 C ATOM 589 CD LYS A 36 -11.410 13.520 5.490 1.00 0.00 C ATOM 590 CE LYS A 36 -12.281 12.345 5.960 1.00 0.00 C ATOM 591 NZ LYS A 36 -12.936 11.623 4.837 1.00 0.00 N ATOM 0 H LYS A 36 -7.460 13.000 5.535 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.083 13.353 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.065 14.908 5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.859 14.892 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.303 12.444 3.974 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.519 12.469 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.187 14.162 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.975 14.121 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.664 11.645 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.046 12.717 6.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.601 10.919 5.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.453 12.302 4.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.213 11.142 4.265 1.00 0.00 H new ATOM 605 N ASP A 37 -6.378 15.831 4.127 1.00 0.00 N ATOM 606 CA ASP A 37 -5.619 17.055 3.831 1.00 0.00 C ATOM 607 C ASP A 37 -4.633 16.872 2.664 1.00 0.00 C ATOM 608 O ASP A 37 -4.393 17.809 1.898 1.00 0.00 O ATOM 609 CB ASP A 37 -4.844 17.495 5.080 1.00 0.00 C ATOM 610 CG ASP A 37 -5.779 17.912 6.226 1.00 0.00 C ATOM 611 OD1 ASP A 37 -6.262 19.070 6.224 1.00 0.00 O ATOM 612 OD2 ASP A 37 -6.031 17.084 7.134 1.00 0.00 O ATOM 0 H ASP A 37 -6.163 15.437 5.043 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.341 17.817 3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.204 16.679 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.190 18.329 4.825 1.00 0.00 H new ATOM 617 N ALA A 38 -4.067 15.668 2.522 1.00 0.00 N ATOM 618 CA ALA A 38 -3.120 15.314 1.469 1.00 0.00 C ATOM 619 C ALA A 38 -3.829 14.784 0.207 1.00 0.00 C ATOM 620 O ALA A 38 -3.610 15.302 -0.889 1.00 0.00 O ATOM 621 CB ALA A 38 -2.126 14.291 2.035 1.00 0.00 C ATOM 0 H ALA A 38 -4.264 14.894 3.157 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.583 16.208 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.409 14.014 1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.596 14.728 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.666 13.403 2.365 1.00 0.00 H new ATOM 627 N PHE A 39 -4.674 13.755 0.358 1.00 0.00 N ATOM 628 CA PHE A 39 -5.312 13.017 -0.741 1.00 0.00 C ATOM 629 C PHE A 39 -6.788 12.681 -0.424 1.00 0.00 C ATOM 630 O PHE A 39 -7.101 11.530 -0.107 1.00 0.00 O ATOM 631 CB PHE A 39 -4.479 11.755 -1.047 1.00 0.00 C ATOM 632 CG PHE A 39 -3.135 12.015 -1.710 1.00 0.00 C ATOM 633 CD1 PHE A 39 -3.053 12.198 -3.104 1.00 0.00 C ATOM 634 CD2 PHE A 39 -1.960 12.066 -0.937 1.00 0.00 C ATOM 635 CE1 PHE A 39 -1.809 12.433 -3.719 1.00 0.00 C ATOM 636 CE2 PHE A 39 -0.715 12.300 -1.549 1.00 0.00 C ATOM 637 CZ PHE A 39 -0.639 12.484 -2.941 1.00 0.00 C ATOM 0 H PHE A 39 -4.941 13.402 1.277 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.335 13.646 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.309 11.216 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.064 11.100 -1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.950 12.158 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.014 11.925 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.753 12.574 -4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.183 12.338 -0.950 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.316 12.664 -3.412 1.00 0.00 H new ATOM 647 N PRO A 40 -7.729 13.638 -0.534 1.00 0.00 N ATOM 648 CA PRO A 40 -9.159 13.371 -0.353 1.00 0.00 C ATOM 649 C PRO A 40 -9.710 12.574 -1.552 1.00 0.00 C ATOM 650 O PRO A 40 -9.340 12.856 -2.693 1.00 0.00 O ATOM 651 CB PRO A 40 -9.805 14.756 -0.255 1.00 0.00 C ATOM 652 CG PRO A 40 -8.898 15.645 -1.109 1.00 0.00 C ATOM 653 CD PRO A 40 -7.512 15.015 -0.962 1.00 0.00 C ATOM 0 HA PRO A 40 -9.366 12.769 0.532 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.827 14.748 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.849 15.104 0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.221 15.660 -2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.906 16.677 -0.758 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.969 15.047 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.914 15.559 -0.231 1.00 0.00 H new ATOM 661 N VAL A 41 -10.626 11.621 -1.343 1.00 0.00 N ATOM 662 CA VAL A 41 -11.229 10.785 -2.415 1.00 0.00 C ATOM 663 C VAL A 41 -11.773 11.640 -3.563 1.00 0.00 C ATOM 664 O VAL A 41 -11.498 11.372 -4.733 1.00 0.00 O ATOM 665 CB VAL A 41 -12.356 9.884 -1.859 1.00 0.00 C ATOM 666 CG1 VAL A 41 -13.140 9.143 -2.955 1.00 0.00 C ATOM 667 CG2 VAL A 41 -11.782 8.823 -0.923 1.00 0.00 C ATOM 0 H VAL A 41 -10.982 11.397 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.431 10.153 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.033 10.560 -1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -13.915 8.529 -2.496 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -13.601 9.868 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -12.460 8.506 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -12.590 8.199 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -11.071 8.203 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -11.275 9.309 -0.090 1.00 0.00 H new ATOM 677 N ALA A 42 -12.516 12.692 -3.217 1.00 0.00 N ATOM 678 CA ALA A 42 -13.132 13.625 -4.163 1.00 0.00 C ATOM 679 C ALA A 42 -12.131 14.478 -4.986 1.00 0.00 C ATOM 680 O ALA A 42 -12.516 15.046 -6.011 1.00 0.00 O ATOM 681 CB ALA A 42 -14.098 14.519 -3.374 1.00 0.00 C ATOM 0 H ALA A 42 -12.712 12.926 -2.244 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.653 13.033 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.574 15.227 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.861 13.901 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.546 15.065 -2.609 1.00 0.00 H new ATOM 687 N GLY A 43 -10.859 14.564 -4.568 1.00 0.00 N ATOM 688 CA GLY A 43 -9.778 15.290 -5.258 1.00 0.00 C ATOM 689 C GLY A 43 -8.728 14.388 -5.921 1.00 0.00 C ATOM 690 O GLY A 43 -8.028 14.830 -6.834 1.00 0.00 O ATOM 0 H GLY A 43 -10.542 14.114 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.218 15.934 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.279 15.941 -4.540 1.00 0.00 H new ATOM 694 N GLN A 44 -8.608 13.131 -5.486 1.00 0.00 N ATOM 695 CA GLN A 44 -7.713 12.135 -6.077 1.00 0.00 C ATOM 696 C GLN A 44 -8.132 11.704 -7.496 1.00 0.00 C ATOM 697 O GLN A 44 -9.318 11.496 -7.776 1.00 0.00 O ATOM 698 CB GLN A 44 -7.712 10.856 -5.227 1.00 0.00 C ATOM 699 CG GLN A 44 -6.885 10.874 -3.937 1.00 0.00 C ATOM 700 CD GLN A 44 -7.023 9.522 -3.236 1.00 0.00 C ATOM 701 OE1 GLN A 44 -6.724 8.482 -3.798 1.00 0.00 O ATOM 702 NE2 GLN A 44 -7.500 9.458 -2.013 1.00 0.00 N ATOM 0 H GLN A 44 -9.143 12.770 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.735 12.614 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.744 10.624 -4.964 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.350 10.037 -5.849 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.838 11.075 -4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.228 11.674 -3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.758 10.313 -1.521 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.612 8.553 -1.556 1.00 0.00 H new ATOM 711 N LYS A 45 -7.137 11.455 -8.355 1.00 0.00 N ATOM 712 CA LYS A 45 -7.257 10.802 -9.671 1.00 0.00 C ATOM 713 C LYS A 45 -6.175 9.718 -9.758 1.00 0.00 C ATOM 714 O LYS A 45 -5.049 9.910 -9.293 1.00 0.00 O ATOM 715 CB LYS A 45 -7.245 11.792 -10.857 1.00 0.00 C ATOM 716 CG LYS A 45 -8.348 12.861 -10.729 1.00 0.00 C ATOM 717 CD LYS A 45 -8.705 13.531 -12.066 1.00 0.00 C ATOM 718 CE LYS A 45 -10.049 14.275 -11.970 1.00 0.00 C ATOM 719 NZ LYS A 45 -9.958 15.590 -11.285 1.00 0.00 N ATOM 0 H LYS A 45 -6.174 11.716 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.239 10.336 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.272 12.280 -10.912 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.379 11.243 -11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.243 12.401 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.023 13.625 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.918 14.230 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.758 12.777 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.443 14.426 -12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.764 13.647 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.907 15.892 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.342 15.505 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.561 16.295 -11.938 1.00 0.00 H new ATOM 733 N LEU A 46 -6.545 8.563 -10.305 1.00 0.00 N ATOM 734 CA LEU A 46 -5.780 7.315 -10.308 1.00 0.00 C ATOM 735 C LEU A 46 -5.507 6.863 -11.742 1.00 0.00 C ATOM 736 O LEU A 46 -6.441 6.757 -12.529 1.00 0.00 O ATOM 737 CB LEU A 46 -6.608 6.255 -9.543 1.00 0.00 C ATOM 738 CG LEU A 46 -6.086 5.859 -8.157 1.00 0.00 C ATOM 739 CD1 LEU A 46 -4.773 5.097 -8.296 1.00 0.00 C ATOM 740 CD2 LEU A 46 -5.901 7.066 -7.240 1.00 0.00 C ATOM 0 H LEU A 46 -7.439 8.465 -10.787 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.814 7.456 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.625 6.630 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.665 5.356 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.837 5.217 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.407 4.819 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.936 4.197 -8.889 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.036 5.730 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.530 6.733 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.184 7.755 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.857 7.573 -7.108 1.00 0.00 H new ATOM 752 N ILE A 47 -4.248 6.600 -12.090 1.00 0.00 N ATOM 753 CA ILE A 47 -3.780 6.355 -13.463 1.00 0.00 C ATOM 754 C ILE A 47 -2.917 5.089 -13.511 1.00 0.00 C ATOM 755 O ILE A 47 -1.942 4.958 -12.765 1.00 0.00 O ATOM 756 CB ILE A 47 -3.048 7.616 -13.976 1.00 0.00 C ATOM 757 CG1 ILE A 47 -4.063 8.769 -14.162 1.00 0.00 C ATOM 758 CG2 ILE A 47 -2.352 7.404 -15.323 1.00 0.00 C ATOM 759 CD1 ILE A 47 -3.946 9.848 -13.101 1.00 0.00 C ATOM 0 H ILE A 47 -3.496 6.549 -11.403 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.622 6.172 -14.131 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.292 7.850 -13.227 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.917 9.218 -15.145 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.073 8.361 -14.145 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.858 8.327 -15.626 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.612 6.610 -15.229 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.091 7.124 -16.074 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.686 10.626 -13.290 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.121 9.412 -12.118 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.947 10.282 -13.132 1.00 0.00 H new ATOM 771 N TYR A 48 -3.278 4.156 -14.395 1.00 0.00 N ATOM 772 CA TYR A 48 -2.535 2.925 -14.669 1.00 0.00 C ATOM 773 C TYR A 48 -2.367 2.717 -16.179 1.00 0.00 C ATOM 774 O TYR A 48 -3.328 2.880 -16.933 1.00 0.00 O ATOM 775 CB TYR A 48 -3.240 1.726 -14.025 1.00 0.00 C ATOM 776 CG TYR A 48 -2.413 0.452 -13.950 1.00 0.00 C ATOM 777 CD1 TYR A 48 -1.244 0.417 -13.164 1.00 0.00 C ATOM 778 CD2 TYR A 48 -2.834 -0.714 -14.622 1.00 0.00 C ATOM 779 CE1 TYR A 48 -0.515 -0.779 -13.026 1.00 0.00 C ATOM 780 CE2 TYR A 48 -2.100 -1.911 -14.494 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.942 -1.950 -13.687 1.00 0.00 C ATOM 782 OH TYR A 48 -0.239 -3.108 -13.534 1.00 0.00 O ATOM 0 H TYR A 48 -4.124 4.240 -14.958 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.541 3.014 -14.232 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.544 2.003 -13.015 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -4.151 1.516 -14.586 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.906 1.313 -12.665 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.722 -0.690 -15.237 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.374 -0.800 -12.413 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.424 -2.800 -15.014 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.665 -3.821 -14.054 1.00 0.00 H new ATOM 792 N ALA A 49 -1.162 2.355 -16.634 1.00 0.00 N ATOM 793 CA ALA A 49 -0.842 2.120 -18.050 1.00 0.00 C ATOM 794 C ALA A 49 -1.306 3.257 -19.005 1.00 0.00 C ATOM 795 O ALA A 49 -1.729 3.012 -20.138 1.00 0.00 O ATOM 796 CB ALA A 49 -1.381 0.728 -18.421 1.00 0.00 C ATOM 0 H ALA A 49 -0.363 2.214 -16.016 1.00 0.00 H new ATOM 0 HA ALA A 49 0.240 2.138 -18.185 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.161 0.520 -19.468 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.905 -0.026 -17.793 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.459 0.702 -18.265 1.00 0.00 H new ATOM 802 N GLY A 50 -1.257 4.509 -18.534 1.00 0.00 N ATOM 803 CA GLY A 50 -1.692 5.720 -19.242 1.00 0.00 C ATOM 804 C GLY A 50 -3.210 5.893 -19.395 1.00 0.00 C ATOM 805 O GLY A 50 -3.646 6.718 -20.198 1.00 0.00 O ATOM 0 H GLY A 50 -0.895 4.716 -17.603 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.297 6.588 -18.715 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.243 5.719 -20.235 1.00 0.00 H new ATOM 809 N LYS A 51 -4.020 5.150 -18.629 1.00 0.00 N ATOM 810 CA LYS A 51 -5.489 5.246 -18.563 1.00 0.00 C ATOM 811 C LYS A 51 -5.938 5.551 -17.132 1.00 0.00 C ATOM 812 O LYS A 51 -5.424 4.966 -16.178 1.00 0.00 O ATOM 813 CB LYS A 51 -6.125 3.938 -19.064 1.00 0.00 C ATOM 814 CG LYS A 51 -5.802 3.652 -20.543 1.00 0.00 C ATOM 815 CD LYS A 51 -6.485 2.375 -21.058 1.00 0.00 C ATOM 816 CE LYS A 51 -8.016 2.478 -21.144 1.00 0.00 C ATOM 817 NZ LYS A 51 -8.465 3.375 -22.244 1.00 0.00 N ATOM 0 H LYS A 51 -3.653 4.430 -18.007 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.819 6.062 -19.206 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.772 3.108 -18.452 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.206 3.991 -18.936 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.118 4.500 -21.151 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.723 3.557 -20.664 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.091 2.137 -22.046 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.223 1.545 -20.402 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.436 1.484 -21.296 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.406 2.848 -20.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.504 3.411 -22.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.088 4.332 -22.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.117 3.010 -23.154 1.00 0.00 H new ATOM 831 N ILE A 52 -6.890 6.469 -16.964 1.00 0.00 N ATOM 832 CA ILE A 52 -7.447 6.806 -15.646 1.00 0.00 C ATOM 833 C ILE A 52 -8.448 5.730 -15.217 1.00 0.00 C ATOM 834 O ILE A 52 -9.368 5.372 -15.957 1.00 0.00 O ATOM 835 CB ILE A 52 -8.058 8.216 -15.644 1.00 0.00 C ATOM 836 CG1 ILE A 52 -6.942 9.247 -15.920 1.00 0.00 C ATOM 837 CG2 ILE A 52 -8.718 8.601 -14.312 1.00 0.00 C ATOM 838 CD1 ILE A 52 -7.282 10.075 -17.134 1.00 0.00 C ATOM 0 H ILE A 52 -7.298 7.001 -17.733 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.643 6.823 -14.910 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.830 8.215 -16.413 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.814 9.896 -15.053 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.993 8.733 -16.076 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -9.127 9.609 -14.386 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.521 7.899 -14.088 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.975 8.569 -13.515 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.486 10.797 -17.316 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.386 9.423 -18.001 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.220 10.604 -16.963 1.00 0.00 H new ATOM 850 N LEU A 53 -8.241 5.204 -14.014 1.00 0.00 N ATOM 851 CA LEU A 53 -9.073 4.208 -13.356 1.00 0.00 C ATOM 852 C LEU A 53 -10.453 4.801 -13.019 1.00 0.00 C ATOM 853 O LEU A 53 -10.559 5.762 -12.253 1.00 0.00 O ATOM 854 CB LEU A 53 -8.346 3.704 -12.097 1.00 0.00 C ATOM 855 CG LEU A 53 -6.926 3.144 -12.288 1.00 0.00 C ATOM 856 CD1 LEU A 53 -6.446 2.478 -10.998 1.00 0.00 C ATOM 857 CD2 LEU A 53 -6.886 2.073 -13.367 1.00 0.00 C ATOM 0 H LEU A 53 -7.443 5.478 -13.442 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.241 3.362 -14.023 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.293 4.527 -11.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.958 2.926 -11.641 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.293 3.986 -12.568 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.440 2.085 -11.144 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.436 3.212 -10.192 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.120 1.662 -10.737 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.867 1.701 -13.473 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.545 1.251 -13.088 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.218 2.498 -14.314 1.00 0.00 H new ATOM 869 N ASN A 54 -11.513 4.251 -13.612 1.00 0.00 N ATOM 870 CA ASN A 54 -12.899 4.670 -13.376 1.00 0.00 C ATOM 871 C ASN A 54 -13.369 4.279 -11.962 1.00 0.00 C ATOM 872 O ASN A 54 -13.325 3.106 -11.597 1.00 0.00 O ATOM 873 CB ASN A 54 -13.802 4.034 -14.442 1.00 0.00 C ATOM 874 CG ASN A 54 -13.628 4.643 -15.823 1.00 0.00 C ATOM 875 OD1 ASN A 54 -13.739 5.846 -16.022 1.00 0.00 O ATOM 876 ND2 ASN A 54 -13.378 3.835 -16.829 1.00 0.00 N ATOM 0 H ASN A 54 -11.433 3.487 -14.283 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.958 5.756 -13.447 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -13.592 2.966 -14.495 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.843 4.139 -14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.277 4.211 -17.772 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.285 2.832 -16.667 1.00 0.00 H new ATOM 883 N ASP A 55 -13.843 5.250 -11.177 1.00 0.00 N ATOM 884 CA ASP A 55 -14.189 5.126 -9.749 1.00 0.00 C ATOM 885 C ASP A 55 -15.090 3.922 -9.413 1.00 0.00 C ATOM 886 O ASP A 55 -14.793 3.156 -8.495 1.00 0.00 O ATOM 887 CB ASP A 55 -14.861 6.424 -9.270 1.00 0.00 C ATOM 888 CG ASP A 55 -13.884 7.604 -9.216 1.00 0.00 C ATOM 889 OD1 ASP A 55 -13.564 8.190 -10.276 1.00 0.00 O ATOM 890 OD2 ASP A 55 -13.421 7.954 -8.107 1.00 0.00 O ATOM 0 H ASP A 55 -14.006 6.192 -11.533 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.249 4.951 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.687 6.670 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.288 6.264 -8.280 1.00 0.00 H new ATOM 895 N ASP A 56 -16.195 3.755 -10.146 1.00 0.00 N ATOM 896 CA ASP A 56 -17.187 2.689 -9.935 1.00 0.00 C ATOM 897 C ASP A 56 -16.747 1.307 -10.472 1.00 0.00 C ATOM 898 O ASP A 56 -17.343 0.284 -10.128 1.00 0.00 O ATOM 899 CB ASP A 56 -18.502 3.133 -10.595 1.00 0.00 C ATOM 900 CG ASP A 56 -19.687 2.210 -10.253 1.00 0.00 C ATOM 901 OD1 ASP A 56 -20.074 2.137 -9.061 1.00 0.00 O ATOM 902 OD2 ASP A 56 -20.268 1.596 -11.181 1.00 0.00 O ATOM 0 H ASP A 56 -16.433 4.372 -10.923 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.307 2.549 -8.861 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.737 4.149 -10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.369 3.159 -11.677 1.00 0.00 H new ATOM 907 N THR A 57 -15.706 1.250 -11.308 1.00 0.00 N ATOM 908 CA THR A 57 -15.173 0.015 -11.904 1.00 0.00 C ATOM 909 C THR A 57 -14.281 -0.732 -10.901 1.00 0.00 C ATOM 910 O THR A 57 -13.615 -0.119 -10.061 1.00 0.00 O ATOM 911 CB THR A 57 -14.410 0.364 -13.197 1.00 0.00 C ATOM 912 OG1 THR A 57 -15.266 1.069 -14.078 1.00 0.00 O ATOM 913 CG2 THR A 57 -13.920 -0.845 -13.982 1.00 0.00 C ATOM 0 H THR A 57 -15.195 2.083 -11.599 1.00 0.00 H new ATOM 0 HA THR A 57 -15.996 -0.654 -12.157 1.00 0.00 H new ATOM 0 HB THR A 57 -13.548 0.943 -12.866 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.836 1.152 -14.955 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.394 -0.510 -14.876 1.00 0.00 H new ATOM 0 HG22 THR A 57 -13.243 -1.432 -13.361 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.772 -1.460 -14.271 1.00 0.00 H new ATOM 921 N ALA A 58 -14.272 -2.068 -10.952 1.00 0.00 N ATOM 922 CA ALA A 58 -13.468 -2.894 -10.049 1.00 0.00 C ATOM 923 C ALA A 58 -11.967 -2.918 -10.407 1.00 0.00 C ATOM 924 O ALA A 58 -11.585 -2.662 -11.548 1.00 0.00 O ATOM 925 CB ALA A 58 -14.074 -4.294 -9.985 1.00 0.00 C ATOM 0 H ALA A 58 -14.823 -2.606 -11.621 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.501 -2.441 -9.058 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.482 -4.917 -9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -15.097 -4.231 -9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.077 -4.735 -10.982 1.00 0.00 H new ATOM 931 N LEU A 59 -11.099 -3.264 -9.449 1.00 0.00 N ATOM 932 CA LEU A 59 -9.639 -3.277 -9.656 1.00 0.00 C ATOM 933 C LEU A 59 -9.160 -4.409 -10.585 1.00 0.00 C ATOM 934 O LEU A 59 -8.225 -4.215 -11.368 1.00 0.00 O ATOM 935 CB LEU A 59 -8.935 -3.325 -8.287 1.00 0.00 C ATOM 936 CG LEU A 59 -9.132 -2.036 -7.466 1.00 0.00 C ATOM 937 CD1 LEU A 59 -8.607 -2.230 -6.049 1.00 0.00 C ATOM 938 CD2 LEU A 59 -8.371 -0.853 -8.062 1.00 0.00 C ATOM 0 H LEU A 59 -11.384 -3.543 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.369 -2.357 -10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.315 -4.174 -7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.869 -3.494 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.202 -1.827 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.752 -1.313 -5.479 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.148 -3.045 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.545 -2.471 -6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.539 0.033 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.305 -1.081 -8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.725 -0.667 -9.076 1.00 0.00 H new ATOM 950 N LYS A 60 -9.841 -5.563 -10.569 1.00 0.00 N ATOM 951 CA LYS A 60 -9.604 -6.696 -11.491 1.00 0.00 C ATOM 952 C LYS A 60 -9.751 -6.335 -12.976 1.00 0.00 C ATOM 953 O LYS A 60 -9.095 -6.947 -13.816 1.00 0.00 O ATOM 954 CB LYS A 60 -10.542 -7.869 -11.151 1.00 0.00 C ATOM 955 CG LYS A 60 -10.267 -8.556 -9.803 1.00 0.00 C ATOM 956 CD LYS A 60 -8.900 -9.255 -9.745 1.00 0.00 C ATOM 957 CE LYS A 60 -8.811 -10.131 -8.490 1.00 0.00 C ATOM 958 NZ LYS A 60 -7.492 -10.809 -8.386 1.00 0.00 N ATOM 0 H LYS A 60 -10.590 -5.745 -9.901 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.563 -6.984 -11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.569 -7.504 -11.152 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.468 -8.614 -11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.322 -7.814 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.051 -9.289 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.757 -9.866 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.103 -8.512 -9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.975 -9.517 -7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.604 -10.879 -8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.468 -11.392 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.346 -11.415 -9.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.737 -10.095 -8.341 1.00 0.00 H new ATOM 972 N GLU A 61 -10.539 -5.312 -13.309 1.00 0.00 N ATOM 973 CA GLU A 61 -10.742 -4.819 -14.685 1.00 0.00 C ATOM 974 C GLU A 61 -9.482 -4.202 -15.315 1.00 0.00 C ATOM 975 O GLU A 61 -9.389 -4.095 -16.540 1.00 0.00 O ATOM 976 CB GLU A 61 -11.861 -3.767 -14.683 1.00 0.00 C ATOM 977 CG GLU A 61 -13.225 -4.358 -14.278 1.00 0.00 C ATOM 978 CD GLU A 61 -13.736 -5.402 -15.290 1.00 0.00 C ATOM 979 OE1 GLU A 61 -14.246 -5.011 -16.369 1.00 0.00 O ATOM 980 OE2 GLU A 61 -13.637 -6.623 -15.014 1.00 0.00 O ATOM 0 H GLU A 61 -11.071 -4.785 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.005 -5.687 -15.290 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.598 -2.963 -13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.941 -3.324 -15.676 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.140 -4.820 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.955 -3.553 -14.190 1.00 0.00 H new ATOM 987 N TYR A 62 -8.500 -3.834 -14.488 1.00 0.00 N ATOM 988 CA TYR A 62 -7.240 -3.202 -14.887 1.00 0.00 C ATOM 989 C TYR A 62 -6.018 -4.103 -14.638 1.00 0.00 C ATOM 990 O TYR A 62 -4.899 -3.741 -15.007 1.00 0.00 O ATOM 991 CB TYR A 62 -7.132 -1.860 -14.151 1.00 0.00 C ATOM 992 CG TYR A 62 -8.213 -0.870 -14.544 1.00 0.00 C ATOM 993 CD1 TYR A 62 -8.052 -0.102 -15.713 1.00 0.00 C ATOM 994 CD2 TYR A 62 -9.356 -0.693 -13.735 1.00 0.00 C ATOM 995 CE1 TYR A 62 -9.018 0.858 -16.068 1.00 0.00 C ATOM 996 CE2 TYR A 62 -10.323 0.273 -14.083 1.00 0.00 C ATOM 997 CZ TYR A 62 -10.156 1.047 -15.251 1.00 0.00 C ATOM 998 OH TYR A 62 -11.080 1.991 -15.578 1.00 0.00 O ATOM 0 H TYR A 62 -8.564 -3.974 -13.480 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.245 -3.034 -15.964 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.185 -2.038 -13.077 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.155 -1.420 -14.354 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -7.185 -0.250 -16.339 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.490 -1.297 -12.850 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -8.890 1.449 -16.963 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.190 0.420 -13.456 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.960 1.716 -15.246 1.00 0.00 H new ATOM 1008 N LYS A 63 -6.233 -5.288 -14.043 1.00 0.00 N ATOM 1009 CA LYS A 63 -5.239 -6.320 -13.688 1.00 0.00 C ATOM 1010 C LYS A 63 -3.956 -5.750 -13.052 1.00 0.00 C ATOM 1011 O LYS A 63 -2.840 -6.162 -13.380 1.00 0.00 O ATOM 1012 CB LYS A 63 -4.978 -7.239 -14.901 1.00 0.00 C ATOM 1013 CG LYS A 63 -6.257 -7.941 -15.390 1.00 0.00 C ATOM 1014 CD LYS A 63 -5.958 -8.948 -16.507 1.00 0.00 C ATOM 1015 CE LYS A 63 -7.262 -9.613 -16.963 1.00 0.00 C ATOM 1016 NZ LYS A 63 -7.023 -10.614 -18.036 1.00 0.00 N ATOM 0 H LYS A 63 -7.176 -5.573 -13.777 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.664 -6.934 -12.894 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.556 -6.650 -15.715 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.235 -7.990 -14.632 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.733 -8.455 -14.554 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.966 -7.196 -15.751 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.482 -8.443 -17.348 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.258 -9.704 -16.151 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.740 -10.099 -16.112 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.952 -8.851 -17.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.927 -11.043 -18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.590 -10.146 -18.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.384 -11.355 -17.683 1.00 0.00 H new ATOM 1030 N ILE A 64 -4.126 -4.794 -12.134 1.00 0.00 N ATOM 1031 CA ILE A 64 -3.051 -4.175 -11.344 1.00 0.00 C ATOM 1032 C ILE A 64 -2.337 -5.258 -10.519 1.00 0.00 C ATOM 1033 O ILE A 64 -2.980 -6.157 -9.972 1.00 0.00 O ATOM 1034 CB ILE A 64 -3.600 -3.040 -10.444 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -4.422 -2.006 -11.250 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -2.453 -2.315 -9.711 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -5.210 -1.052 -10.348 1.00 0.00 C ATOM 0 H ILE A 64 -5.046 -4.415 -11.911 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.328 -3.718 -12.020 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.259 -3.512 -9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.751 -1.429 -11.885 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.113 -2.531 -11.910 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.864 -1.523 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.913 -3.027 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.770 -1.883 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.769 -0.347 -10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.903 -1.624 -9.731 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.520 -0.505 -9.706 1.00 0.00 H new ATOM 1049 N ASP A 65 -1.011 -5.173 -10.427 1.00 0.00 N ATOM 1050 CA ASP A 65 -0.168 -6.108 -9.669 1.00 0.00 C ATOM 1051 C ASP A 65 0.411 -5.451 -8.402 1.00 0.00 C ATOM 1052 O ASP A 65 0.508 -4.226 -8.301 1.00 0.00 O ATOM 1053 CB ASP A 65 0.935 -6.648 -10.594 1.00 0.00 C ATOM 1054 CG ASP A 65 1.642 -7.866 -9.983 1.00 0.00 C ATOM 1055 OD1 ASP A 65 1.149 -9.005 -10.159 1.00 0.00 O ATOM 1056 OD2 ASP A 65 2.674 -7.677 -9.301 1.00 0.00 O ATOM 0 H ASP A 65 -0.476 -4.436 -10.887 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.778 -6.943 -9.323 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.501 -6.923 -11.555 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.665 -5.862 -10.787 1.00 0.00 H new ATOM 1061 N GLU A 66 0.812 -6.263 -7.423 1.00 0.00 N ATOM 1062 CA GLU A 66 1.421 -5.800 -6.170 1.00 0.00 C ATOM 1063 C GLU A 66 2.846 -5.243 -6.371 1.00 0.00 C ATOM 1064 O GLU A 66 3.219 -4.240 -5.755 1.00 0.00 O ATOM 1065 CB GLU A 66 1.462 -6.956 -5.155 1.00 0.00 C ATOM 1066 CG GLU A 66 0.056 -7.466 -4.809 1.00 0.00 C ATOM 1067 CD GLU A 66 0.061 -8.499 -3.667 1.00 0.00 C ATOM 1068 OE1 GLU A 66 0.789 -9.518 -3.752 1.00 0.00 O ATOM 1069 OE2 GLU A 66 -0.699 -8.303 -2.688 1.00 0.00 O ATOM 0 H GLU A 66 0.722 -7.278 -7.477 1.00 0.00 H new ATOM 0 HA GLU A 66 0.802 -4.985 -5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.055 -7.775 -5.562 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.961 -6.622 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.573 -6.622 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.392 -7.914 -5.696 1.00 0.00 H new ATOM 1076 N LYS A 67 3.650 -5.890 -7.230 1.00 0.00 N ATOM 1077 CA LYS A 67 5.056 -5.545 -7.497 1.00 0.00 C ATOM 1078 C LYS A 67 5.204 -4.369 -8.467 1.00 0.00 C ATOM 1079 O LYS A 67 6.165 -3.604 -8.355 1.00 0.00 O ATOM 1080 CB LYS A 67 5.771 -6.781 -8.064 1.00 0.00 C ATOM 1081 CG LYS A 67 5.886 -7.926 -7.036 1.00 0.00 C ATOM 1082 CD LYS A 67 6.058 -9.301 -7.701 1.00 0.00 C ATOM 1083 CE LYS A 67 7.218 -9.371 -8.702 1.00 0.00 C ATOM 1084 NZ LYS A 67 8.547 -9.273 -8.041 1.00 0.00 N ATOM 0 H LYS A 67 3.330 -6.691 -7.774 1.00 0.00 H new ATOM 0 HA LYS A 67 5.507 -5.234 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.230 -7.138 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.769 -6.497 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.734 -7.736 -6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.994 -7.938 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.215 -10.051 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.133 -9.563 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.160 -10.308 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.116 -8.564 -9.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.297 -9.325 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.616 -8.368 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.658 -10.057 -7.367 1.00 0.00 H new ATOM 1098 N ASN A 68 4.269 -4.215 -9.411 1.00 0.00 N ATOM 1099 CA ASN A 68 4.178 -3.022 -10.259 1.00 0.00 C ATOM 1100 C ASN A 68 3.590 -1.830 -9.471 1.00 0.00 C ATOM 1101 O ASN A 68 3.061 -2.005 -8.370 1.00 0.00 O ATOM 1102 CB ASN A 68 3.353 -3.349 -11.522 1.00 0.00 C ATOM 1103 CG ASN A 68 3.533 -2.324 -12.636 1.00 0.00 C ATOM 1104 OD1 ASN A 68 4.530 -1.620 -12.719 1.00 0.00 O ATOM 1105 ND2 ASN A 68 2.577 -2.187 -13.523 1.00 0.00 N ATOM 0 H ASN A 68 3.554 -4.915 -9.608 1.00 0.00 H new ATOM 0 HA ASN A 68 5.178 -2.724 -10.575 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.641 -4.333 -11.892 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.298 -3.405 -11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.670 -1.500 -14.271 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.741 -2.768 -13.465 1.00 0.00 H new ATOM 1112 N PHE A 69 3.649 -0.622 -10.037 1.00 0.00 N ATOM 1113 CA PHE A 69 3.167 0.607 -9.395 1.00 0.00 C ATOM 1114 C PHE A 69 1.993 1.261 -10.144 1.00 0.00 C ATOM 1115 O PHE A 69 1.892 1.188 -11.371 1.00 0.00 O ATOM 1116 CB PHE A 69 4.329 1.593 -9.185 1.00 0.00 C ATOM 1117 CG PHE A 69 4.864 2.260 -10.441 1.00 0.00 C ATOM 1118 CD1 PHE A 69 5.841 1.616 -11.225 1.00 0.00 C ATOM 1119 CD2 PHE A 69 4.396 3.534 -10.822 1.00 0.00 C ATOM 1120 CE1 PHE A 69 6.340 2.237 -12.384 1.00 0.00 C ATOM 1121 CE2 PHE A 69 4.895 4.155 -11.982 1.00 0.00 C ATOM 1122 CZ PHE A 69 5.866 3.505 -12.765 1.00 0.00 C ATOM 0 H PHE A 69 4.038 -0.466 -10.967 1.00 0.00 H new ATOM 0 HA PHE A 69 2.770 0.324 -8.420 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.001 2.370 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.149 1.062 -8.701 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.208 0.642 -10.935 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.652 4.035 -10.221 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.089 1.739 -12.983 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.533 5.130 -12.271 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.247 3.979 -13.658 1.00 0.00 H new ATOM 1132 N VAL A 70 1.119 1.931 -9.390 1.00 0.00 N ATOM 1133 CA VAL A 70 0.049 2.818 -9.876 1.00 0.00 C ATOM 1134 C VAL A 70 0.505 4.271 -9.705 1.00 0.00 C ATOM 1135 O VAL A 70 1.339 4.565 -8.841 1.00 0.00 O ATOM 1136 CB VAL A 70 -1.283 2.527 -9.134 1.00 0.00 C ATOM 1137 CG1 VAL A 70 -1.623 3.507 -8.007 1.00 0.00 C ATOM 1138 CG2 VAL A 70 -2.472 2.508 -10.103 1.00 0.00 C ATOM 0 H VAL A 70 1.135 1.869 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.142 2.636 -10.934 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.116 1.548 -8.685 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.570 3.221 -7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.835 3.484 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.706 4.515 -8.414 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.389 2.302 -9.550 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.556 3.477 -10.595 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.318 1.732 -10.853 1.00 0.00 H new ATOM 1148 N VAL A 71 -0.074 5.197 -10.467 1.00 0.00 N ATOM 1149 CA VAL A 71 0.143 6.639 -10.271 1.00 0.00 C ATOM 1150 C VAL A 71 -1.084 7.270 -9.624 1.00 0.00 C ATOM 1151 O VAL A 71 -2.207 7.106 -10.102 1.00 0.00 O ATOM 1152 CB VAL A 71 0.518 7.350 -11.581 1.00 0.00 C ATOM 1153 CG1 VAL A 71 0.649 8.864 -11.374 1.00 0.00 C ATOM 1154 CG2 VAL A 71 1.866 6.834 -12.093 1.00 0.00 C ATOM 0 H VAL A 71 -0.706 4.975 -11.237 1.00 0.00 H new ATOM 0 HA VAL A 71 0.992 6.763 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.276 7.144 -12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.915 9.339 -12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.300 9.266 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.426 9.064 -10.636 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.122 7.344 -13.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.637 7.029 -11.347 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.800 5.761 -12.275 1.00 0.00 H new ATOM 1164 N VAL A 72 -0.857 8.018 -8.544 1.00 0.00 N ATOM 1165 CA VAL A 72 -1.863 8.824 -7.841 1.00 0.00 C ATOM 1166 C VAL A 72 -1.520 10.311 -7.948 1.00 0.00 C ATOM 1167 O VAL A 72 -0.367 10.723 -7.796 1.00 0.00 O ATOM 1168 CB VAL A 72 -2.041 8.353 -6.381 1.00 0.00 C ATOM 1169 CG1 VAL A 72 -0.732 8.327 -5.576 1.00 0.00 C ATOM 1170 CG2 VAL A 72 -3.074 9.207 -5.630 1.00 0.00 C ATOM 0 H VAL A 72 0.067 8.084 -8.116 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.830 8.680 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.399 7.327 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.936 7.986 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.026 7.647 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.305 9.329 -5.543 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.171 8.844 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.746 10.247 -5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.039 9.137 -6.133 1.00 0.00 H new ATOM 1180 N MET A 73 -2.540 11.125 -8.202 1.00 0.00 N ATOM 1181 CA MET A 73 -2.477 12.586 -8.205 1.00 0.00 C ATOM 1182 C MET A 73 -3.682 13.189 -7.484 1.00 0.00 C ATOM 1183 O MET A 73 -4.689 12.514 -7.282 1.00 0.00 O ATOM 1184 CB MET A 73 -2.335 13.096 -9.646 1.00 0.00 C ATOM 1185 CG MET A 73 -3.496 12.739 -10.575 1.00 0.00 C ATOM 1186 SD MET A 73 -3.305 13.329 -12.280 1.00 0.00 S ATOM 1187 CE MET A 73 -3.404 15.113 -11.999 1.00 0.00 C ATOM 0 H MET A 73 -3.472 10.772 -8.420 1.00 0.00 H new ATOM 0 HA MET A 73 -1.596 12.911 -7.651 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.228 14.181 -9.623 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.414 12.694 -10.069 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.613 11.655 -10.590 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.416 13.153 -10.162 1.00 0.00 H new ATOM 0 HE1 MET A 73 -3.483 15.628 -12.956 1.00 0.00 H new ATOM 0 HE2 MET A 73 -4.281 15.338 -11.392 1.00 0.00 H new ATOM 0 HE3 MET A 73 -2.507 15.450 -11.479 1.00 0.00 H new ATOM 1197 N VAL A 74 -3.582 14.465 -7.111 1.00 0.00 N ATOM 1198 CA VAL A 74 -4.647 15.241 -6.462 1.00 0.00 C ATOM 1199 C VAL A 74 -4.804 16.581 -7.195 1.00 0.00 C ATOM 1200 O VAL A 74 -3.910 17.429 -7.167 1.00 0.00 O ATOM 1201 CB VAL A 74 -4.408 15.363 -4.941 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -3.046 15.945 -4.533 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.522 16.161 -4.258 1.00 0.00 C ATOM 0 H VAL A 74 -2.731 15.008 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.602 14.721 -6.543 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.413 14.329 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.980 15.988 -3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.249 15.311 -4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.942 16.950 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.320 16.226 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.563 17.165 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.478 15.661 -4.417 1.00 0.00 H new ATOM 1872 N GLU B 283 -4.968 20.808 -15.180 1.00 0.00 N ATOM 1873 CA GLU B 283 -5.399 19.430 -14.904 1.00 0.00 C ATOM 1874 C GLU B 283 -4.962 18.469 -16.025 1.00 0.00 C ATOM 1875 O GLU B 283 -4.390 17.419 -15.745 1.00 0.00 O ATOM 1876 CB GLU B 283 -6.925 19.403 -14.698 1.00 0.00 C ATOM 1877 CG GLU B 283 -7.470 17.981 -14.527 1.00 0.00 C ATOM 1878 CD GLU B 283 -8.968 17.973 -14.192 1.00 0.00 C ATOM 1879 OE1 GLU B 283 -9.792 18.289 -15.083 1.00 0.00 O ATOM 1880 OE2 GLU B 283 -9.337 17.637 -13.042 1.00 0.00 O ATOM 0 HA GLU B 283 -4.915 19.084 -13.990 1.00 0.00 H new ATOM 0 HB2 GLU B 283 -7.180 19.994 -13.819 1.00 0.00 H new ATOM 0 HB3 GLU B 283 -7.412 19.875 -15.552 1.00 0.00 H new ATOM 0 HG2 GLU B 283 -7.301 17.416 -15.444 1.00 0.00 H new ATOM 0 HG3 GLU B 283 -6.919 17.475 -13.734 1.00 0.00 H new ATOM 1887 N GLU B 284 -5.194 18.827 -17.291 1.00 0.00 N ATOM 1888 CA GLU B 284 -4.845 17.992 -18.449 1.00 0.00 C ATOM 1889 C GLU B 284 -3.328 17.778 -18.598 1.00 0.00 C ATOM 1890 O GLU B 284 -2.894 16.664 -18.893 1.00 0.00 O ATOM 1891 CB GLU B 284 -5.425 18.592 -19.740 1.00 0.00 C ATOM 1892 CG GLU B 284 -6.960 18.605 -19.739 1.00 0.00 C ATOM 1893 CD GLU B 284 -7.510 19.107 -21.088 1.00 0.00 C ATOM 1894 OE1 GLU B 284 -7.720 18.280 -22.010 1.00 0.00 O ATOM 1895 OE2 GLU B 284 -7.748 20.331 -21.237 1.00 0.00 O ATOM 0 H GLU B 284 -5.633 19.712 -17.546 1.00 0.00 H new ATOM 0 HA GLU B 284 -5.288 17.012 -18.271 1.00 0.00 H new ATOM 0 HB2 GLU B 284 -5.055 19.610 -19.863 1.00 0.00 H new ATOM 0 HB3 GLU B 284 -5.069 18.019 -20.596 1.00 0.00 H new ATOM 0 HG2 GLU B 284 -7.335 17.601 -19.540 1.00 0.00 H new ATOM 0 HG3 GLU B 284 -7.321 19.245 -18.934 1.00 0.00 H new ATOM 1902 N GLU B 285 -2.508 18.807 -18.360 1.00 0.00 N ATOM 1903 CA GLU B 285 -1.041 18.690 -18.369 1.00 0.00 C ATOM 1904 C GLU B 285 -0.524 17.793 -17.228 1.00 0.00 C ATOM 1905 O GLU B 285 0.315 16.918 -17.461 1.00 0.00 O ATOM 1906 CB GLU B 285 -0.398 20.084 -18.287 1.00 0.00 C ATOM 1907 CG GLU B 285 -0.552 20.922 -19.565 1.00 0.00 C ATOM 1908 CD GLU B 285 0.320 20.390 -20.719 1.00 0.00 C ATOM 1909 OE1 GLU B 285 1.506 20.790 -20.823 1.00 0.00 O ATOM 1910 OE2 GLU B 285 -0.174 19.581 -21.542 1.00 0.00 O ATOM 0 H GLU B 285 -2.842 19.749 -18.155 1.00 0.00 H new ATOM 0 HA GLU B 285 -0.756 18.216 -19.308 1.00 0.00 H new ATOM 0 HB2 GLU B 285 -0.841 20.628 -17.453 1.00 0.00 H new ATOM 0 HB3 GLU B 285 0.663 19.970 -18.066 1.00 0.00 H new ATOM 0 HG2 GLU B 285 -1.598 20.923 -19.873 1.00 0.00 H new ATOM 0 HG3 GLU B 285 -0.281 21.956 -19.354 1.00 0.00 H new ATOM 1917 N GLN B 286 -1.048 17.959 -16.007 1.00 0.00 N ATOM 1918 CA GLN B 286 -0.734 17.091 -14.863 1.00 0.00 C ATOM 1919 C GLN B 286 -1.161 15.632 -15.107 1.00 0.00 C ATOM 1920 O GLN B 286 -0.396 14.712 -14.814 1.00 0.00 O ATOM 1921 CB GLN B 286 -1.401 17.628 -13.589 1.00 0.00 C ATOM 1922 CG GLN B 286 -0.780 18.937 -13.085 1.00 0.00 C ATOM 1923 CD GLN B 286 -1.547 19.508 -11.894 1.00 0.00 C ATOM 1924 OE1 GLN B 286 -1.969 18.807 -10.984 1.00 0.00 O ATOM 1925 NE2 GLN B 286 -1.750 20.803 -11.827 1.00 0.00 N ATOM 0 H GLN B 286 -1.707 18.705 -15.783 1.00 0.00 H new ATOM 0 HA GLN B 286 0.349 17.100 -14.738 1.00 0.00 H new ATOM 0 HB2 GLN B 286 -2.462 17.788 -13.782 1.00 0.00 H new ATOM 0 HB3 GLN B 286 -1.330 16.874 -12.805 1.00 0.00 H new ATOM 0 HG2 GLN B 286 0.257 18.761 -12.799 1.00 0.00 H new ATOM 0 HG3 GLN B 286 -0.767 19.668 -13.893 1.00 0.00 H new ATOM 0 HE21 GLN B 286 -1.409 21.412 -12.571 1.00 0.00 H new ATOM 0 HE22 GLN B 286 -2.248 21.201 -11.031 1.00 0.00 H new ATOM 1934 N ILE B 287 -2.349 15.411 -15.683 1.00 0.00 N ATOM 1935 CA ILE B 287 -2.823 14.092 -16.125 1.00 0.00 C ATOM 1936 C ILE B 287 -1.862 13.486 -17.154 1.00 0.00 C ATOM 1937 O ILE B 287 -1.420 12.359 -16.963 1.00 0.00 O ATOM 1938 CB ILE B 287 -4.283 14.165 -16.635 1.00 0.00 C ATOM 1939 CG1 ILE B 287 -5.244 14.270 -15.428 1.00 0.00 C ATOM 1940 CG2 ILE B 287 -4.653 12.941 -17.492 1.00 0.00 C ATOM 1941 CD1 ILE B 287 -6.697 14.578 -15.811 1.00 0.00 C ATOM 0 H ILE B 287 -3.021 16.158 -15.859 1.00 0.00 H new ATOM 0 HA ILE B 287 -2.831 13.419 -15.268 1.00 0.00 H new ATOM 0 HB ILE B 287 -4.376 15.049 -17.266 1.00 0.00 H new ATOM 0 HG12 ILE B 287 -5.217 13.333 -14.873 1.00 0.00 H new ATOM 0 HG13 ILE B 287 -4.883 15.049 -14.756 1.00 0.00 H new ATOM 0 HG21 ILE B 287 -5.685 13.032 -17.830 1.00 0.00 H new ATOM 0 HG22 ILE B 287 -3.992 12.889 -18.357 1.00 0.00 H new ATOM 0 HG23 ILE B 287 -4.544 12.034 -16.897 1.00 0.00 H new ATOM 0 HD11 ILE B 287 -7.307 14.635 -14.909 1.00 0.00 H new ATOM 0 HD12 ILE B 287 -6.740 15.530 -16.339 1.00 0.00 H new ATOM 0 HD13 ILE B 287 -7.078 13.787 -16.457 1.00 0.00 H new ATOM 1953 N ALA B 288 -1.502 14.195 -18.227 1.00 0.00 N ATOM 1954 CA ALA B 288 -0.592 13.663 -19.246 1.00 0.00 C ATOM 1955 C ALA B 288 0.798 13.297 -18.677 1.00 0.00 C ATOM 1956 O ALA B 288 1.379 12.284 -19.076 1.00 0.00 O ATOM 1957 CB ALA B 288 -0.490 14.674 -20.392 1.00 0.00 C ATOM 0 H ALA B 288 -1.828 15.143 -18.413 1.00 0.00 H new ATOM 0 HA ALA B 288 -1.003 12.726 -19.621 1.00 0.00 H new ATOM 0 HB1 ALA B 288 0.185 14.290 -21.157 1.00 0.00 H new ATOM 0 HB2 ALA B 288 -1.477 14.833 -20.826 1.00 0.00 H new ATOM 0 HB3 ALA B 288 -0.105 15.619 -20.010 1.00 0.00 H new ATOM 1963 N TYR B 289 1.312 14.065 -17.708 1.00 0.00 N ATOM 1964 CA TYR B 289 2.510 13.699 -16.943 1.00 0.00 C ATOM 1965 C TYR B 289 2.298 12.391 -16.156 1.00 0.00 C ATOM 1966 O TYR B 289 3.104 11.468 -16.280 1.00 0.00 O ATOM 1967 CB TYR B 289 2.934 14.865 -16.033 1.00 0.00 C ATOM 1968 CG TYR B 289 4.095 14.570 -15.093 1.00 0.00 C ATOM 1969 CD1 TYR B 289 5.243 13.893 -15.556 1.00 0.00 C ATOM 1970 CD2 TYR B 289 4.025 14.976 -13.744 1.00 0.00 C ATOM 1971 CE1 TYR B 289 6.303 13.603 -14.675 1.00 0.00 C ATOM 1972 CE2 TYR B 289 5.085 14.691 -12.860 1.00 0.00 C ATOM 1973 CZ TYR B 289 6.226 13.999 -13.322 1.00 0.00 C ATOM 1974 OH TYR B 289 7.251 13.726 -12.468 1.00 0.00 O ATOM 0 H TYR B 289 0.908 14.960 -17.432 1.00 0.00 H new ATOM 0 HA TYR B 289 3.325 13.509 -17.641 1.00 0.00 H new ATOM 0 HB2 TYR B 289 3.204 15.714 -16.661 1.00 0.00 H new ATOM 0 HB3 TYR B 289 2.074 15.170 -15.437 1.00 0.00 H new ATOM 0 HD1 TYR B 289 5.309 13.595 -16.592 1.00 0.00 H new ATOM 0 HD2 TYR B 289 3.155 15.508 -13.387 1.00 0.00 H new ATOM 0 HE1 TYR B 289 7.175 13.077 -15.035 1.00 0.00 H new ATOM 0 HE2 TYR B 289 5.025 15.002 -11.828 1.00 0.00 H new ATOM 0 HH TYR B 289 7.034 14.069 -11.576 1.00 0.00 H new ATOM 1984 N ALA B 290 1.193 12.263 -15.410 1.00 0.00 N ATOM 1985 CA ALA B 290 0.804 11.029 -14.721 1.00 0.00 C ATOM 1986 C ALA B 290 0.700 9.808 -15.661 1.00 0.00 C ATOM 1987 O ALA B 290 1.207 8.731 -15.333 1.00 0.00 O ATOM 1988 CB ALA B 290 -0.520 11.270 -13.989 1.00 0.00 C ATOM 0 H ALA B 290 0.534 13.028 -15.267 1.00 0.00 H new ATOM 0 HA ALA B 290 1.592 10.782 -14.010 1.00 0.00 H new ATOM 0 HB1 ALA B 290 -0.821 10.359 -13.472 1.00 0.00 H new ATOM 0 HB2 ALA B 290 -0.394 12.074 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA B 290 -1.289 11.549 -14.710 1.00 0.00 H new ATOM 1994 N MET B 291 0.083 9.974 -16.840 1.00 0.00 N ATOM 1995 CA MET B 291 0.000 8.965 -17.896 1.00 0.00 C ATOM 1996 C MET B 291 1.392 8.491 -18.307 1.00 0.00 C ATOM 1997 O MET B 291 1.697 7.312 -18.145 1.00 0.00 O ATOM 1998 CB MET B 291 -0.769 9.484 -19.125 1.00 0.00 C ATOM 1999 CG MET B 291 -2.253 9.752 -18.869 1.00 0.00 C ATOM 2000 SD MET B 291 -3.154 10.208 -20.374 1.00 0.00 S ATOM 2001 CE MET B 291 -4.850 10.009 -19.774 1.00 0.00 C ATOM 0 H MET B 291 -0.386 10.845 -17.089 1.00 0.00 H new ATOM 0 HA MET B 291 -0.554 8.119 -17.488 1.00 0.00 H new ATOM 0 HB2 MET B 291 -0.299 10.405 -19.471 1.00 0.00 H new ATOM 0 HB3 MET B 291 -0.677 8.756 -19.931 1.00 0.00 H new ATOM 0 HG2 MET B 291 -2.708 8.862 -18.434 1.00 0.00 H new ATOM 0 HG3 MET B 291 -2.352 10.552 -18.135 1.00 0.00 H new ATOM 0 HE1 MET B 291 -5.374 9.285 -20.398 1.00 0.00 H new ATOM 0 HE2 MET B 291 -4.832 9.654 -18.743 1.00 0.00 H new ATOM 0 HE3 MET B 291 -5.367 10.968 -19.819 1.00 0.00 H new ATOM 2011 N GLN B 292 2.253 9.396 -18.785 1.00 0.00 N ATOM 2012 CA GLN B 292 3.635 9.081 -19.159 1.00 0.00 C ATOM 2013 C GLN B 292 4.410 8.402 -18.017 1.00 0.00 C ATOM 2014 O GLN B 292 5.149 7.450 -18.267 1.00 0.00 O ATOM 2015 CB GLN B 292 4.332 10.357 -19.659 1.00 0.00 C ATOM 2016 CG GLN B 292 5.824 10.173 -19.990 1.00 0.00 C ATOM 2017 CD GLN B 292 6.116 9.192 -21.129 1.00 0.00 C ATOM 2018 OE1 GLN B 292 6.260 9.560 -22.288 1.00 0.00 O ATOM 2019 NE2 GLN B 292 6.256 7.917 -20.838 1.00 0.00 N ATOM 0 H GLN B 292 2.007 10.376 -18.924 1.00 0.00 H new ATOM 0 HA GLN B 292 3.618 8.353 -19.970 1.00 0.00 H new ATOM 0 HB2 GLN B 292 3.815 10.715 -20.550 1.00 0.00 H new ATOM 0 HB3 GLN B 292 4.233 11.133 -18.900 1.00 0.00 H new ATOM 0 HG2 GLN B 292 6.246 11.144 -20.249 1.00 0.00 H new ATOM 0 HG3 GLN B 292 6.340 9.830 -19.093 1.00 0.00 H new ATOM 0 HE21 GLN B 292 6.139 7.597 -19.876 1.00 0.00 H new ATOM 0 HE22 GLN B 292 6.482 7.248 -21.574 1.00 0.00 H new ATOM 2028 N MET B 293 4.240 8.851 -16.773 1.00 0.00 N ATOM 2029 CA MET B 293 4.898 8.255 -15.610 1.00 0.00 C ATOM 2030 C MET B 293 4.490 6.783 -15.402 1.00 0.00 C ATOM 2031 O MET B 293 5.366 5.926 -15.277 1.00 0.00 O ATOM 2032 CB MET B 293 4.642 9.138 -14.380 1.00 0.00 C ATOM 2033 CG MET B 293 5.469 8.701 -13.167 1.00 0.00 C ATOM 2034 SD MET B 293 5.626 9.967 -11.878 1.00 0.00 S ATOM 2035 CE MET B 293 3.906 10.100 -11.331 1.00 0.00 C ATOM 0 H MET B 293 3.639 9.642 -16.543 1.00 0.00 H new ATOM 0 HA MET B 293 5.974 8.221 -15.782 1.00 0.00 H new ATOM 0 HB2 MET B 293 4.878 10.174 -14.624 1.00 0.00 H new ATOM 0 HB3 MET B 293 3.583 9.104 -14.126 1.00 0.00 H new ATOM 0 HG2 MET B 293 5.014 7.811 -12.733 1.00 0.00 H new ATOM 0 HG3 MET B 293 6.466 8.417 -13.504 1.00 0.00 H new ATOM 0 HE1 MET B 293 3.852 10.748 -10.456 1.00 0.00 H new ATOM 0 HE2 MET B 293 3.301 10.522 -12.133 1.00 0.00 H new ATOM 0 HE3 MET B 293 3.528 9.110 -11.074 1.00 0.00 H new ATOM 2045 N SER B 294 3.187 6.461 -15.424 1.00 0.00 N ATOM 2046 CA SER B 294 2.703 5.066 -15.389 1.00 0.00 C ATOM 2047 C SER B 294 3.137 4.235 -16.613 1.00 0.00 C ATOM 2048 O SER B 294 3.536 3.078 -16.464 1.00 0.00 O ATOM 2049 CB SER B 294 1.179 5.007 -15.205 1.00 0.00 C ATOM 2050 OG SER B 294 0.474 5.376 -16.374 1.00 0.00 O ATOM 0 H SER B 294 2.440 7.154 -15.466 1.00 0.00 H new ATOM 0 HA SER B 294 3.179 4.609 -14.521 1.00 0.00 H new ATOM 0 HB2 SER B 294 0.891 3.996 -14.916 1.00 0.00 H new ATOM 0 HB3 SER B 294 0.890 5.667 -14.387 1.00 0.00 H new ATOM 0 HG SER B 294 0.990 6.046 -16.869 1.00 0.00 H new