USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 673 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD Set 1.1: B 302 LYS NZ :NH3+ 142:sc= 0.694 (180deg=-0.307) USER MOD Set 1.2: B 305 SER OG : rot -6:sc= 0.726 USER MOD Set 2.1: A 109 MET CE :methyl 144:sc= -1.23 (180deg=-0.594) USER MOD Set 2.2: A 124 MET CE :methyl 159:sc= -2.43 (180deg=-3.1!) USER MOD Set 3.1: A 94 LYS NZ :NH3+ -170:sc= 0.53 (180deg=-0.708) USER MOD Set 3.2: A 107 HIS : no HD1:sc= 0.966 K(o=1.5,f=-11!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00235 USER MOD Single : A 110 THR OG1 : rot -92:sc= 1.38 USER MOD Single : A 111 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.016) USER MOD Single : A 115 LYS NZ :NH3+ -110:sc= 1 (180deg=-0.426) USER MOD Single : A 117 THR OG1 : rot -81:sc= 1.21 USER MOD Single : A 135 GLN : amide:sc= -0.29! X(o=-0.29!,f=-0.25) USER MOD Single : A 137 ASN : amide:sc= -1.94! C(o=-1.9!,f=-8.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 144 MET CE :methyl -155:sc= -2.3 (180deg=-4.47!) USER MOD Single : A 145 MET CE :methyl 141:sc= -2.06 (180deg=-3.94!) USER MOD Single : A 146 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 148 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.17) USER MOD Single : B 290 ASN : amide:sc= -1.58! C(o=-1.6!,f=-3.1!) USER MOD Single : B 294 SER OG : rot 61:sc= 1.17 USER MOD Single : B 297 MET CE :methyl -153:sc= -0.29 (180deg=-1.28) USER MOD Single : B 299 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 301 SER OG : rot 70:sc= 0.942 USER MOD Single : B 303 LYS NZ :NH3+ -172:sc= 0.113 (180deg=-0.0672!) USER MOD Single : B 304 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 9.682 -4.215 7.414 1.00 1.91 N ATOM 2 CA GLU A 82 9.733 -4.482 5.956 1.00 1.66 C ATOM 3 C GLU A 82 8.684 -5.512 5.556 1.00 1.50 C ATOM 4 O GLU A 82 8.075 -5.419 4.487 1.00 1.46 O ATOM 5 CB GLU A 82 11.126 -4.983 5.564 1.00 1.88 C ATOM 6 CG GLU A 82 12.220 -3.959 5.799 1.00 2.18 C ATOM 7 CD GLU A 82 11.846 -2.597 5.265 1.00 2.30 C ATOM 8 OE1 GLU A 82 12.116 -2.324 4.077 1.00 2.82 O ATOM 9 OE2 GLU A 82 11.270 -1.801 6.032 1.00 2.34 O ATOM 0 HA GLU A 82 9.522 -3.551 5.430 1.00 1.66 H new ATOM 0 HB2 GLU A 82 11.354 -5.885 6.133 1.00 1.88 H new ATOM 0 HB3 GLU A 82 11.121 -5.263 4.511 1.00 1.88 H new ATOM 0 HG2 GLU A 82 12.424 -3.886 6.867 1.00 2.18 H new ATOM 0 HG3 GLU A 82 13.140 -4.295 5.321 1.00 2.18 H new ATOM 18 N GLU A 83 8.479 -6.483 6.434 1.00 1.55 N ATOM 19 CA GLU A 83 7.526 -7.559 6.222 1.00 1.51 C ATOM 20 C GLU A 83 6.136 -7.021 5.901 1.00 1.36 C ATOM 21 O GLU A 83 5.523 -7.431 4.919 1.00 1.32 O ATOM 22 CB GLU A 83 7.471 -8.455 7.466 1.00 1.74 C ATOM 23 CG GLU A 83 8.841 -8.792 8.045 1.00 1.98 C ATOM 24 CD GLU A 83 9.320 -7.780 9.078 1.00 2.20 C ATOM 25 OE1 GLU A 83 9.683 -6.648 8.693 1.00 2.36 O ATOM 26 OE2 GLU A 83 9.342 -8.117 10.278 1.00 2.61 O ATOM 0 H GLU A 83 8.976 -6.545 7.323 1.00 1.55 H new ATOM 0 HA GLU A 83 7.861 -8.144 5.365 1.00 1.51 H new ATOM 0 HB2 GLU A 83 6.875 -7.960 8.233 1.00 1.74 H new ATOM 0 HB3 GLU A 83 6.957 -9.382 7.212 1.00 1.74 H new ATOM 0 HG2 GLU A 83 8.801 -9.780 8.504 1.00 1.98 H new ATOM 0 HG3 GLU A 83 9.568 -8.846 7.234 1.00 1.98 H new ATOM 33 N GLU A 84 5.659 -6.082 6.715 1.00 1.33 N ATOM 34 CA GLU A 84 4.334 -5.499 6.519 1.00 1.24 C ATOM 35 C GLU A 84 4.216 -4.853 5.142 1.00 1.17 C ATOM 36 O GLU A 84 3.226 -5.042 4.443 1.00 1.15 O ATOM 37 CB GLU A 84 4.044 -4.457 7.596 1.00 1.31 C ATOM 38 CG GLU A 84 2.624 -4.514 8.132 1.00 1.18 C ATOM 39 CD GLU A 84 2.522 -5.341 9.394 1.00 1.21 C ATOM 40 OE1 GLU A 84 2.721 -4.783 10.490 1.00 1.69 O ATOM 41 OE2 GLU A 84 2.252 -6.554 9.297 1.00 1.78 O ATOM 0 H GLU A 84 6.169 -5.709 7.515 1.00 1.33 H new ATOM 0 HA GLU A 84 3.604 -6.306 6.591 1.00 1.24 H new ATOM 0 HB2 GLU A 84 4.741 -4.597 8.422 1.00 1.31 H new ATOM 0 HB3 GLU A 84 4.230 -3.464 7.188 1.00 1.31 H new ATOM 0 HG2 GLU A 84 2.273 -3.502 8.334 1.00 1.18 H new ATOM 0 HG3 GLU A 84 1.967 -4.934 7.371 1.00 1.18 H new ATOM 48 N ILE A 85 5.244 -4.106 4.760 1.00 1.16 N ATOM 49 CA ILE A 85 5.263 -3.422 3.472 1.00 1.13 C ATOM 50 C ILE A 85 5.220 -4.427 2.323 1.00 1.09 C ATOM 51 O ILE A 85 4.447 -4.270 1.376 1.00 1.08 O ATOM 52 CB ILE A 85 6.513 -2.524 3.333 1.00 1.16 C ATOM 53 CG1 ILE A 85 6.650 -1.627 4.574 1.00 1.23 C ATOM 54 CG2 ILE A 85 6.430 -1.694 2.058 1.00 1.15 C ATOM 55 CD1 ILE A 85 7.420 -0.341 4.342 1.00 1.33 C ATOM 0 H ILE A 85 6.079 -3.958 5.326 1.00 1.16 H new ATOM 0 HA ILE A 85 4.376 -2.791 3.425 1.00 1.13 H new ATOM 0 HB ILE A 85 7.401 -3.152 3.264 1.00 1.16 H new ATOM 0 HG12 ILE A 85 5.653 -1.378 4.938 1.00 1.23 H new ATOM 0 HG13 ILE A 85 7.144 -2.194 5.363 1.00 1.23 H new ATOM 0 HG21 ILE A 85 7.317 -1.067 1.974 1.00 1.15 H new ATOM 0 HG22 ILE A 85 6.372 -2.357 1.195 1.00 1.15 H new ATOM 0 HG23 ILE A 85 5.542 -1.063 2.092 1.00 1.15 H new ATOM 0 HD11 ILE A 85 7.466 0.228 5.271 1.00 1.33 H new ATOM 0 HD12 ILE A 85 8.431 -0.577 4.010 1.00 1.33 H new ATOM 0 HD13 ILE A 85 6.917 0.252 3.578 1.00 1.33 H new ATOM 67 N ARG A 86 6.039 -5.466 2.427 1.00 1.12 N ATOM 68 CA ARG A 86 6.086 -6.507 1.409 1.00 1.13 C ATOM 69 C ARG A 86 4.742 -7.229 1.336 1.00 1.11 C ATOM 70 O ARG A 86 4.216 -7.479 0.247 1.00 1.09 O ATOM 71 CB ARG A 86 7.213 -7.499 1.717 1.00 1.24 C ATOM 72 CG ARG A 86 7.391 -8.580 0.660 1.00 1.32 C ATOM 73 CD ARG A 86 6.782 -9.901 1.101 1.00 1.50 C ATOM 74 NE ARG A 86 7.149 -10.993 0.203 1.00 1.70 N ATOM 75 CZ ARG A 86 6.582 -12.198 0.216 1.00 1.95 C ATOM 76 NH1 ARG A 86 5.585 -12.471 1.058 1.00 2.05 N ATOM 77 NH2 ARG A 86 7.005 -13.129 -0.627 1.00 2.26 N ATOM 0 H ARG A 86 6.680 -5.610 3.207 1.00 1.12 H new ATOM 0 HA ARG A 86 6.287 -6.047 0.442 1.00 1.13 H new ATOM 0 HB2 ARG A 86 8.149 -6.950 1.821 1.00 1.24 H new ATOM 0 HB3 ARG A 86 7.013 -7.974 2.678 1.00 1.24 H new ATOM 0 HG2 ARG A 86 6.927 -8.258 -0.272 1.00 1.32 H new ATOM 0 HG3 ARG A 86 8.453 -8.719 0.456 1.00 1.32 H new ATOM 0 HD2 ARG A 86 7.114 -10.135 2.113 1.00 1.50 H new ATOM 0 HD3 ARG A 86 5.697 -9.808 1.135 1.00 1.50 H new ATOM 0 HE ARG A 86 7.888 -10.821 -0.479 1.00 1.70 H new ATOM 0 HH11 ARG A 86 5.249 -11.754 1.701 1.00 2.05 H new ATOM 0 HH12 ARG A 86 5.158 -13.397 1.059 1.00 2.05 H new ATOM 0 HH21 ARG A 86 7.760 -12.920 -1.280 1.00 2.26 H new ATOM 0 HH22 ARG A 86 6.575 -14.054 -0.623 1.00 2.26 H new ATOM 91 N GLU A 87 4.186 -7.541 2.500 1.00 1.14 N ATOM 92 CA GLU A 87 2.905 -8.226 2.582 1.00 1.16 C ATOM 93 C GLU A 87 1.792 -7.363 2.007 1.00 1.05 C ATOM 94 O GLU A 87 0.927 -7.855 1.282 1.00 1.05 O ATOM 95 CB GLU A 87 2.589 -8.586 4.034 1.00 1.26 C ATOM 96 CG GLU A 87 3.403 -9.757 4.562 1.00 1.38 C ATOM 97 CD GLU A 87 3.154 -11.031 3.787 1.00 1.62 C ATOM 98 OE1 GLU A 87 2.192 -11.754 4.126 1.00 1.88 O ATOM 99 OE2 GLU A 87 3.913 -11.314 2.837 1.00 1.91 O ATOM 0 H GLU A 87 4.606 -7.328 3.405 1.00 1.14 H new ATOM 0 HA GLU A 87 2.971 -9.142 1.994 1.00 1.16 H new ATOM 0 HB2 GLU A 87 2.771 -7.715 4.663 1.00 1.26 H new ATOM 0 HB3 GLU A 87 1.529 -8.824 4.118 1.00 1.26 H new ATOM 0 HG2 GLU A 87 4.463 -9.509 4.516 1.00 1.38 H new ATOM 0 HG3 GLU A 87 3.160 -9.921 5.612 1.00 1.38 H new ATOM 106 N ALA A 88 1.820 -6.075 2.329 1.00 1.00 N ATOM 107 CA ALA A 88 0.821 -5.142 1.832 1.00 0.91 C ATOM 108 C ALA A 88 0.815 -5.142 0.310 1.00 0.82 C ATOM 109 O ALA A 88 -0.235 -5.268 -0.313 1.00 0.80 O ATOM 110 CB ALA A 88 1.080 -3.741 2.366 1.00 0.91 C ATOM 0 H ALA A 88 2.526 -5.654 2.933 1.00 1.00 H new ATOM 0 HA ALA A 88 -0.159 -5.463 2.185 1.00 0.91 H new ATOM 0 HB1 ALA A 88 0.321 -3.059 1.982 1.00 0.91 H new ATOM 0 HB2 ALA A 88 1.039 -3.753 3.455 1.00 0.91 H new ATOM 0 HB3 ALA A 88 2.066 -3.405 2.044 1.00 0.91 H new ATOM 116 N PHE A 89 2.003 -5.041 -0.276 1.00 0.80 N ATOM 117 CA PHE A 89 2.150 -5.037 -1.726 1.00 0.73 C ATOM 118 C PHE A 89 1.599 -6.332 -2.314 1.00 0.76 C ATOM 119 O PHE A 89 0.964 -6.331 -3.367 1.00 0.75 O ATOM 120 CB PHE A 89 3.624 -4.868 -2.104 1.00 0.74 C ATOM 121 CG PHE A 89 3.852 -4.593 -3.561 1.00 0.66 C ATOM 122 CD1 PHE A 89 3.687 -3.314 -4.067 1.00 0.66 C ATOM 123 CD2 PHE A 89 4.234 -5.606 -4.424 1.00 0.84 C ATOM 124 CE1 PHE A 89 3.899 -3.048 -5.405 1.00 0.67 C ATOM 125 CE2 PHE A 89 4.447 -5.348 -5.763 1.00 0.86 C ATOM 126 CZ PHE A 89 4.278 -4.068 -6.255 1.00 0.70 C ATOM 0 H PHE A 89 2.882 -4.960 0.235 1.00 0.80 H new ATOM 0 HA PHE A 89 1.585 -4.200 -2.135 1.00 0.73 H new ATOM 0 HB2 PHE A 89 4.047 -4.051 -1.520 1.00 0.74 H new ATOM 0 HB3 PHE A 89 4.166 -5.772 -1.826 1.00 0.74 H new ATOM 0 HD1 PHE A 89 3.388 -2.514 -3.406 1.00 0.66 H new ATOM 0 HD2 PHE A 89 4.367 -6.609 -4.045 1.00 0.84 H new ATOM 0 HE1 PHE A 89 3.769 -2.046 -5.786 1.00 0.67 H new ATOM 0 HE2 PHE A 89 4.746 -6.146 -6.426 1.00 0.86 H new ATOM 0 HZ PHE A 89 4.442 -3.866 -7.303 1.00 0.70 H new ATOM 136 N ARG A 90 1.836 -7.436 -1.613 1.00 0.84 N ATOM 137 CA ARG A 90 1.363 -8.742 -2.051 1.00 0.92 C ATOM 138 C ARG A 90 -0.166 -8.802 -2.037 1.00 0.96 C ATOM 139 O ARG A 90 -0.777 -9.419 -2.909 1.00 1.01 O ATOM 140 CB ARG A 90 1.947 -9.843 -1.155 1.00 1.06 C ATOM 141 CG ARG A 90 1.467 -11.250 -1.489 1.00 1.20 C ATOM 142 CD ARG A 90 1.958 -11.715 -2.852 1.00 1.21 C ATOM 143 NE ARG A 90 1.159 -11.163 -3.941 1.00 1.15 N ATOM 144 CZ ARG A 90 1.494 -11.242 -5.225 1.00 1.42 C ATOM 145 NH1 ARG A 90 2.600 -11.872 -5.594 1.00 1.84 N ATOM 146 NH2 ARG A 90 0.722 -10.693 -6.147 1.00 1.56 N ATOM 0 H ARG A 90 2.355 -7.451 -0.735 1.00 0.84 H new ATOM 0 HA ARG A 90 1.700 -8.903 -3.075 1.00 0.92 H new ATOM 0 HB2 ARG A 90 3.034 -9.816 -1.230 1.00 1.06 H new ATOM 0 HB3 ARG A 90 1.693 -9.623 -0.118 1.00 1.06 H new ATOM 0 HG2 ARG A 90 1.816 -11.943 -0.723 1.00 1.20 H new ATOM 0 HG3 ARG A 90 0.377 -11.275 -1.469 1.00 1.20 H new ATOM 0 HD2 ARG A 90 2.999 -11.420 -2.982 1.00 1.21 H new ATOM 0 HD3 ARG A 90 1.927 -12.804 -2.896 1.00 1.21 H new ATOM 0 HE ARG A 90 0.289 -10.687 -3.702 1.00 1.15 H new ATOM 0 HH11 ARG A 90 3.201 -12.301 -4.891 1.00 1.84 H new ATOM 0 HH12 ARG A 90 2.850 -11.928 -6.581 1.00 1.84 H new ATOM 0 HH21 ARG A 90 -0.132 -10.208 -5.874 1.00 1.56 H new ATOM 0 HH22 ARG A 90 0.981 -10.755 -7.132 1.00 1.56 H new ATOM 160 N VAL A 91 -0.770 -8.164 -1.042 1.00 0.98 N ATOM 161 CA VAL A 91 -2.224 -8.138 -0.917 1.00 1.05 C ATOM 162 C VAL A 91 -2.836 -7.166 -1.926 1.00 0.96 C ATOM 163 O VAL A 91 -3.919 -7.404 -2.462 1.00 1.03 O ATOM 164 CB VAL A 91 -2.658 -7.736 0.514 1.00 1.14 C ATOM 165 CG1 VAL A 91 -4.176 -7.662 0.630 1.00 1.23 C ATOM 166 CG2 VAL A 91 -2.096 -8.710 1.538 1.00 1.24 C ATOM 0 H VAL A 91 -0.275 -7.657 -0.308 1.00 0.98 H new ATOM 0 HA VAL A 91 -2.586 -9.145 -1.122 1.00 1.05 H new ATOM 0 HB VAL A 91 -2.255 -6.744 0.718 1.00 1.14 H new ATOM 0 HG11 VAL A 91 -4.450 -7.378 1.646 1.00 1.23 H new ATOM 0 HG12 VAL A 91 -4.559 -6.920 -0.070 1.00 1.23 H new ATOM 0 HG13 VAL A 91 -4.607 -8.636 0.397 1.00 1.23 H new ATOM 0 HG21 VAL A 91 -2.412 -8.410 2.537 1.00 1.24 H new ATOM 0 HG22 VAL A 91 -2.465 -9.714 1.326 1.00 1.24 H new ATOM 0 HG23 VAL A 91 -1.007 -8.705 1.485 1.00 1.24 H new ATOM 176 N PHE A 92 -2.134 -6.066 -2.179 1.00 0.85 N ATOM 177 CA PHE A 92 -2.608 -5.059 -3.120 1.00 0.79 C ATOM 178 C PHE A 92 -2.515 -5.578 -4.551 1.00 0.77 C ATOM 179 O PHE A 92 -3.385 -5.296 -5.378 1.00 0.79 O ATOM 180 CB PHE A 92 -1.815 -3.758 -2.971 1.00 0.71 C ATOM 181 CG PHE A 92 -1.918 -3.123 -1.606 1.00 0.78 C ATOM 182 CD1 PHE A 92 -2.981 -3.409 -0.758 1.00 0.95 C ATOM 183 CD2 PHE A 92 -0.941 -2.243 -1.170 1.00 0.92 C ATOM 184 CE1 PHE A 92 -3.064 -2.827 0.492 1.00 1.02 C ATOM 185 CE2 PHE A 92 -1.021 -1.658 0.078 1.00 1.06 C ATOM 186 CZ PHE A 92 -2.082 -1.951 0.911 1.00 1.02 C ATOM 0 H PHE A 92 -1.236 -5.850 -1.746 1.00 0.85 H new ATOM 0 HA PHE A 92 -3.654 -4.849 -2.894 1.00 0.79 H new ATOM 0 HB2 PHE A 92 -0.766 -3.958 -3.188 1.00 0.71 H new ATOM 0 HB3 PHE A 92 -2.164 -3.045 -3.718 1.00 0.71 H new ATOM 0 HD1 PHE A 92 -3.751 -4.094 -1.080 1.00 0.95 H new ATOM 0 HD2 PHE A 92 -0.106 -2.012 -1.815 1.00 0.92 H new ATOM 0 HE1 PHE A 92 -3.896 -3.057 1.141 1.00 1.02 H new ATOM 0 HE2 PHE A 92 -0.253 -0.971 0.403 1.00 1.06 H new ATOM 0 HZ PHE A 92 -2.144 -1.496 1.889 1.00 1.02 H new ATOM 196 N ASP A 93 -1.463 -6.340 -4.837 1.00 0.75 N ATOM 197 CA ASP A 93 -1.271 -6.912 -6.164 1.00 0.75 C ATOM 198 C ASP A 93 -2.120 -8.170 -6.311 1.00 0.86 C ATOM 199 O ASP A 93 -1.644 -9.288 -6.096 1.00 0.95 O ATOM 200 CB ASP A 93 0.203 -7.235 -6.415 1.00 0.72 C ATOM 201 CG ASP A 93 0.472 -7.567 -7.867 1.00 0.72 C ATOM 202 OD1 ASP A 93 0.032 -6.797 -8.746 1.00 0.76 O ATOM 203 OD2 ASP A 93 1.124 -8.596 -8.145 1.00 0.79 O ATOM 0 H ASP A 93 -0.731 -6.575 -4.167 1.00 0.75 H new ATOM 0 HA ASP A 93 -1.585 -6.177 -6.906 1.00 0.75 H new ATOM 0 HB2 ASP A 93 0.816 -6.384 -6.118 1.00 0.72 H new ATOM 0 HB3 ASP A 93 0.501 -8.076 -5.790 1.00 0.72 H new ATOM 208 N LYS A 94 -3.379 -7.971 -6.672 1.00 0.97 N ATOM 209 CA LYS A 94 -4.325 -9.070 -6.823 1.00 1.10 C ATOM 210 C LYS A 94 -4.258 -9.699 -8.209 1.00 1.11 C ATOM 211 O LYS A 94 -4.643 -10.851 -8.391 1.00 1.21 O ATOM 212 CB LYS A 94 -5.749 -8.578 -6.552 1.00 1.23 C ATOM 213 CG LYS A 94 -5.921 -7.968 -5.171 1.00 1.28 C ATOM 214 CD LYS A 94 -6.536 -6.581 -5.250 1.00 1.11 C ATOM 215 CE LYS A 94 -6.473 -5.868 -3.909 1.00 1.19 C ATOM 216 NZ LYS A 94 -7.088 -4.516 -3.969 1.00 1.18 N ATOM 0 H LYS A 94 -3.773 -7.051 -6.868 1.00 0.97 H new ATOM 0 HA LYS A 94 -4.051 -9.835 -6.096 1.00 1.10 H new ATOM 0 HB2 LYS A 94 -6.020 -7.838 -7.305 1.00 1.23 H new ATOM 0 HB3 LYS A 94 -6.442 -9.413 -6.662 1.00 1.23 H new ATOM 0 HG2 LYS A 94 -6.554 -8.614 -4.563 1.00 1.28 H new ATOM 0 HG3 LYS A 94 -4.953 -7.910 -4.674 1.00 1.28 H new ATOM 0 HD2 LYS A 94 -6.012 -5.991 -6.002 1.00 1.11 H new ATOM 0 HD3 LYS A 94 -7.574 -6.660 -5.573 1.00 1.11 H new ATOM 0 HE2 LYS A 94 -6.985 -6.466 -3.156 1.00 1.19 H new ATOM 0 HE3 LYS A 94 -5.433 -5.780 -3.593 1.00 1.19 H new ATOM 0 HZ1 LYS A 94 -6.877 -3.999 -3.092 1.00 1.18 H new ATOM 0 HZ2 LYS A 94 -6.700 -3.994 -4.780 1.00 1.18 H new ATOM 0 HZ3 LYS A 94 -8.118 -4.608 -4.077 1.00 1.18 H new ATOM 230 N ASP A 95 -3.766 -8.946 -9.184 1.00 1.06 N ATOM 231 CA ASP A 95 -3.669 -9.456 -10.551 1.00 1.11 C ATOM 232 C ASP A 95 -2.413 -10.302 -10.730 1.00 1.06 C ATOM 233 O ASP A 95 -2.247 -10.984 -11.742 1.00 1.15 O ATOM 234 CB ASP A 95 -3.708 -8.312 -11.574 1.00 1.13 C ATOM 235 CG ASP A 95 -2.395 -7.564 -11.702 1.00 1.00 C ATOM 236 OD1 ASP A 95 -1.781 -7.236 -10.659 1.00 0.89 O ATOM 237 OD2 ASP A 95 -1.983 -7.277 -12.838 1.00 1.36 O ATOM 0 H ASP A 95 -3.431 -7.991 -9.060 1.00 1.06 H new ATOM 0 HA ASP A 95 -4.535 -10.094 -10.730 1.00 1.11 H new ATOM 0 HB2 ASP A 95 -3.982 -8.717 -12.548 1.00 1.13 H new ATOM 0 HB3 ASP A 95 -4.491 -7.609 -11.290 1.00 1.13 H new ATOM 242 N GLY A 96 -1.533 -10.249 -9.739 1.00 0.97 N ATOM 243 CA GLY A 96 -0.312 -11.028 -9.767 1.00 0.97 C ATOM 244 C GLY A 96 0.649 -10.617 -10.869 1.00 0.91 C ATOM 245 O GLY A 96 1.158 -11.468 -11.599 1.00 1.02 O ATOM 0 H GLY A 96 -1.647 -9.672 -8.906 1.00 0.97 H new ATOM 0 HA2 GLY A 96 0.191 -10.934 -8.805 1.00 0.97 H new ATOM 0 HA3 GLY A 96 -0.566 -12.081 -9.892 1.00 0.97 H new ATOM 249 N ASN A 97 0.901 -9.323 -10.995 1.00 0.84 N ATOM 250 CA ASN A 97 1.824 -8.833 -12.016 1.00 0.82 C ATOM 251 C ASN A 97 3.047 -8.195 -11.369 1.00 0.72 C ATOM 252 O ASN A 97 3.997 -7.819 -12.050 1.00 0.73 O ATOM 253 CB ASN A 97 1.139 -7.850 -12.979 1.00 0.86 C ATOM 254 CG ASN A 97 0.922 -6.463 -12.396 1.00 0.76 C ATOM 255 OD1 ASN A 97 0.609 -6.301 -11.214 1.00 0.73 O ATOM 256 ND2 ASN A 97 1.080 -5.446 -13.224 1.00 0.80 N ATOM 0 H ASN A 97 0.486 -8.597 -10.411 1.00 0.84 H new ATOM 0 HA ASN A 97 2.150 -9.690 -12.605 1.00 0.82 H new ATOM 0 HB2 ASN A 97 1.742 -7.763 -13.883 1.00 0.86 H new ATOM 0 HB3 ASN A 97 0.175 -8.262 -13.278 1.00 0.86 H new ATOM 0 HD21 ASN A 97 0.943 -4.492 -12.891 1.00 0.80 H new ATOM 0 HD22 ASN A 97 1.339 -5.615 -14.196 1.00 0.80 H new ATOM 263 N GLY A 98 3.013 -8.077 -10.046 1.00 0.67 N ATOM 264 CA GLY A 98 4.128 -7.501 -9.320 1.00 0.64 C ATOM 265 C GLY A 98 4.140 -5.989 -9.371 1.00 0.57 C ATOM 266 O GLY A 98 5.138 -5.358 -9.038 1.00 0.62 O ATOM 0 H GLY A 98 2.230 -8.371 -9.462 1.00 0.67 H new ATOM 0 HA2 GLY A 98 4.085 -7.825 -8.280 1.00 0.64 H new ATOM 0 HA3 GLY A 98 5.062 -7.882 -9.734 1.00 0.64 H new ATOM 270 N TYR A 99 3.026 -5.406 -9.792 1.00 0.54 N ATOM 271 CA TYR A 99 2.912 -3.959 -9.888 1.00 0.51 C ATOM 272 C TYR A 99 1.547 -3.493 -9.406 1.00 0.50 C ATOM 273 O TYR A 99 0.554 -4.221 -9.522 1.00 0.63 O ATOM 274 CB TYR A 99 3.125 -3.496 -11.336 1.00 0.57 C ATOM 275 CG TYR A 99 4.494 -3.807 -11.896 1.00 0.64 C ATOM 276 CD1 TYR A 99 5.631 -3.221 -11.359 1.00 0.85 C ATOM 277 CD2 TYR A 99 4.653 -4.684 -12.965 1.00 0.74 C ATOM 278 CE1 TYR A 99 6.886 -3.498 -11.863 1.00 1.05 C ATOM 279 CE2 TYR A 99 5.908 -4.964 -13.475 1.00 0.92 C ATOM 280 CZ TYR A 99 7.020 -4.367 -12.920 1.00 1.04 C ATOM 281 OH TYR A 99 8.273 -4.642 -13.421 1.00 1.29 O ATOM 0 H TYR A 99 2.188 -5.915 -10.073 1.00 0.54 H new ATOM 0 HA TYR A 99 3.683 -3.521 -9.253 1.00 0.51 H new ATOM 0 HB2 TYR A 99 2.372 -3.965 -11.969 1.00 0.57 H new ATOM 0 HB3 TYR A 99 2.960 -2.420 -11.388 1.00 0.57 H new ATOM 0 HD1 TYR A 99 5.532 -2.535 -10.531 1.00 0.85 H new ATOM 0 HD2 TYR A 99 3.784 -5.153 -13.403 1.00 0.74 H new ATOM 0 HE1 TYR A 99 7.759 -3.034 -11.429 1.00 1.05 H new ATOM 0 HE2 TYR A 99 6.016 -5.647 -14.304 1.00 0.92 H new ATOM 0 HH TYR A 99 8.196 -5.275 -14.165 1.00 1.29 H new ATOM 291 N ILE A 100 1.507 -2.290 -8.858 1.00 0.40 N ATOM 292 CA ILE A 100 0.271 -1.700 -8.380 1.00 0.40 C ATOM 293 C ILE A 100 -0.318 -0.826 -9.480 1.00 0.44 C ATOM 294 O ILE A 100 0.187 0.264 -9.769 1.00 0.45 O ATOM 295 CB ILE A 100 0.498 -0.879 -7.082 1.00 0.37 C ATOM 296 CG1 ILE A 100 0.506 -1.809 -5.871 1.00 0.48 C ATOM 297 CG2 ILE A 100 -0.551 0.218 -6.895 1.00 0.40 C ATOM 298 CD1 ILE A 100 0.576 -1.075 -4.554 1.00 0.56 C ATOM 0 H ILE A 100 2.328 -1.698 -8.733 1.00 0.40 H new ATOM 0 HA ILE A 100 -0.430 -2.497 -8.133 1.00 0.40 H new ATOM 0 HB ILE A 100 1.466 -0.387 -7.175 1.00 0.37 H new ATOM 0 HG12 ILE A 100 -0.393 -2.424 -5.888 1.00 0.48 H new ATOM 0 HG13 ILE A 100 1.357 -2.486 -5.947 1.00 0.48 H new ATOM 0 HG21 ILE A 100 -0.347 0.763 -5.973 1.00 0.40 H new ATOM 0 HG22 ILE A 100 -0.512 0.906 -7.739 1.00 0.40 H new ATOM 0 HG23 ILE A 100 -1.542 -0.232 -6.839 1.00 0.40 H new ATOM 0 HD11 ILE A 100 0.578 -1.795 -3.736 1.00 0.56 H new ATOM 0 HD12 ILE A 100 1.489 -0.481 -4.517 1.00 0.56 H new ATOM 0 HD13 ILE A 100 -0.289 -0.418 -4.457 1.00 0.56 H new ATOM 310 N SER A 101 -1.338 -1.346 -10.136 1.00 0.51 N ATOM 311 CA SER A 101 -2.012 -0.619 -11.192 1.00 0.59 C ATOM 312 C SER A 101 -3.048 0.317 -10.582 1.00 0.58 C ATOM 313 O SER A 101 -3.438 0.144 -9.423 1.00 0.54 O ATOM 314 CB SER A 101 -2.675 -1.597 -12.168 1.00 0.70 C ATOM 315 OG SER A 101 -3.254 -0.919 -13.271 1.00 1.33 O ATOM 0 H SER A 101 -1.719 -2.275 -9.954 1.00 0.51 H new ATOM 0 HA SER A 101 -1.284 -0.027 -11.746 1.00 0.59 H new ATOM 0 HB2 SER A 101 -1.935 -2.312 -12.527 1.00 0.70 H new ATOM 0 HB3 SER A 101 -3.443 -2.168 -11.647 1.00 0.70 H new ATOM 0 HG SER A 101 -3.667 -1.571 -13.875 1.00 1.33 H new ATOM 321 N ALA A 102 -3.495 1.299 -11.356 1.00 0.63 N ATOM 322 CA ALA A 102 -4.492 2.251 -10.881 1.00 0.65 C ATOM 323 C ALA A 102 -5.762 1.523 -10.457 1.00 0.66 C ATOM 324 O ALA A 102 -6.416 1.903 -9.489 1.00 0.64 O ATOM 325 CB ALA A 102 -4.797 3.281 -11.957 1.00 0.75 C ATOM 0 H ALA A 102 -3.183 1.457 -12.314 1.00 0.63 H new ATOM 0 HA ALA A 102 -4.089 2.772 -10.012 1.00 0.65 H new ATOM 0 HB1 ALA A 102 -5.543 3.984 -11.587 1.00 0.75 H new ATOM 0 HB2 ALA A 102 -3.885 3.821 -12.213 1.00 0.75 H new ATOM 0 HB3 ALA A 102 -5.182 2.778 -12.844 1.00 0.75 H new ATOM 331 N ALA A 103 -6.095 0.462 -11.186 1.00 0.73 N ATOM 332 CA ALA A 103 -7.274 -0.338 -10.886 1.00 0.78 C ATOM 333 C ALA A 103 -7.076 -1.119 -9.590 1.00 0.74 C ATOM 334 O ALA A 103 -8.005 -1.280 -8.798 1.00 0.78 O ATOM 335 CB ALA A 103 -7.570 -1.289 -12.033 1.00 0.89 C ATOM 0 H ALA A 103 -5.561 0.137 -11.992 1.00 0.73 H new ATOM 0 HA ALA A 103 -8.123 0.333 -10.758 1.00 0.78 H new ATOM 0 HB1 ALA A 103 -8.454 -1.881 -11.796 1.00 0.89 H new ATOM 0 HB2 ALA A 103 -7.750 -0.717 -12.943 1.00 0.89 H new ATOM 0 HB3 ALA A 103 -6.719 -1.953 -12.184 1.00 0.89 H new ATOM 341 N GLU A 104 -5.854 -1.587 -9.373 1.00 0.69 N ATOM 342 CA GLU A 104 -5.530 -2.351 -8.179 1.00 0.67 C ATOM 343 C GLU A 104 -5.606 -1.472 -6.936 1.00 0.60 C ATOM 344 O GLU A 104 -6.109 -1.903 -5.896 1.00 0.64 O ATOM 345 CB GLU A 104 -4.142 -2.983 -8.305 1.00 0.66 C ATOM 346 CG GLU A 104 -4.081 -4.075 -9.361 1.00 0.76 C ATOM 347 CD GLU A 104 -2.721 -4.732 -9.459 1.00 0.75 C ATOM 348 OE1 GLU A 104 -2.408 -5.624 -8.662 1.00 0.86 O ATOM 349 OE2 GLU A 104 -1.935 -4.394 -10.357 1.00 0.71 O ATOM 0 H GLU A 104 -5.070 -1.450 -10.011 1.00 0.69 H new ATOM 0 HA GLU A 104 -6.265 -3.149 -8.077 1.00 0.67 H new ATOM 0 HB2 GLU A 104 -3.416 -2.207 -8.550 1.00 0.66 H new ATOM 0 HB3 GLU A 104 -3.850 -3.400 -7.341 1.00 0.66 H new ATOM 0 HG2 GLU A 104 -4.829 -4.834 -9.133 1.00 0.76 H new ATOM 0 HG3 GLU A 104 -4.343 -3.650 -10.330 1.00 0.76 H new ATOM 356 N LEU A 105 -5.125 -0.236 -7.050 1.00 0.54 N ATOM 357 CA LEU A 105 -5.157 0.694 -5.927 1.00 0.49 C ATOM 358 C LEU A 105 -6.571 1.220 -5.718 1.00 0.51 C ATOM 359 O LEU A 105 -6.950 1.607 -4.609 1.00 0.51 O ATOM 360 CB LEU A 105 -4.194 1.858 -6.142 1.00 0.46 C ATOM 361 CG LEU A 105 -3.663 2.480 -4.849 1.00 0.45 C ATOM 362 CD1 LEU A 105 -2.516 1.660 -4.294 1.00 0.43 C ATOM 363 CD2 LEU A 105 -3.213 3.911 -5.074 1.00 0.47 C ATOM 0 H LEU A 105 -4.712 0.142 -7.903 1.00 0.54 H new ATOM 0 HA LEU A 105 -4.840 0.152 -5.036 1.00 0.49 H new ATOM 0 HB2 LEU A 105 -3.350 1.511 -6.738 1.00 0.46 H new ATOM 0 HB3 LEU A 105 -4.699 2.630 -6.723 1.00 0.46 H new ATOM 0 HG LEU A 105 -4.478 2.485 -4.125 1.00 0.45 H new ATOM 0 HD11 LEU A 105 -2.152 2.119 -3.375 1.00 0.43 H new ATOM 0 HD12 LEU A 105 -2.861 0.648 -4.083 1.00 0.43 H new ATOM 0 HD13 LEU A 105 -1.708 1.623 -5.025 1.00 0.43 H new ATOM 0 HD21 LEU A 105 -2.841 4.327 -4.138 1.00 0.47 H new ATOM 0 HD22 LEU A 105 -2.419 3.930 -5.820 1.00 0.47 H new ATOM 0 HD23 LEU A 105 -4.056 4.506 -5.426 1.00 0.47 H new ATOM 375 N ARG A 106 -7.357 1.227 -6.791 1.00 0.56 N ATOM 376 CA ARG A 106 -8.743 1.671 -6.719 1.00 0.61 C ATOM 377 C ARG A 106 -9.547 0.674 -5.896 1.00 0.66 C ATOM 378 O ARG A 106 -10.670 0.944 -5.482 1.00 0.86 O ATOM 379 CB ARG A 106 -9.356 1.817 -8.115 1.00 0.66 C ATOM 380 CG ARG A 106 -9.385 3.251 -8.616 1.00 0.79 C ATOM 381 CD ARG A 106 -10.371 3.425 -9.763 1.00 0.86 C ATOM 382 NE ARG A 106 -9.701 3.644 -11.045 1.00 1.16 N ATOM 383 CZ ARG A 106 -9.710 4.803 -11.704 1.00 1.52 C ATOM 384 NH1 ARG A 106 -10.359 5.852 -11.204 1.00 1.58 N ATOM 385 NH2 ARG A 106 -9.074 4.913 -12.862 1.00 2.15 N ATOM 0 H ARG A 106 -7.057 0.930 -7.720 1.00 0.56 H new ATOM 0 HA ARG A 106 -8.769 2.651 -6.242 1.00 0.61 H new ATOM 0 HB2 ARG A 106 -8.789 1.206 -8.818 1.00 0.66 H new ATOM 0 HB3 ARG A 106 -10.373 1.425 -8.100 1.00 0.66 H new ATOM 0 HG2 ARG A 106 -9.657 3.917 -7.797 1.00 0.79 H new ATOM 0 HG3 ARG A 106 -8.388 3.542 -8.946 1.00 0.79 H new ATOM 0 HD2 ARG A 106 -11.003 2.540 -9.833 1.00 0.86 H new ATOM 0 HD3 ARG A 106 -11.027 4.269 -9.550 1.00 0.86 H new ATOM 0 HE ARG A 106 -9.196 2.861 -11.460 1.00 1.16 H new ATOM 0 HH11 ARG A 106 -10.851 5.771 -10.314 1.00 1.58 H new ATOM 0 HH12 ARG A 106 -10.364 6.737 -11.710 1.00 1.58 H new ATOM 0 HH21 ARG A 106 -8.577 4.111 -13.249 1.00 2.15 H new ATOM 0 HH22 ARG A 106 -9.081 5.800 -13.366 1.00 2.15 H new ATOM 399 N HIS A 107 -8.944 -0.486 -5.672 1.00 0.65 N ATOM 400 CA HIS A 107 -9.544 -1.545 -4.883 1.00 0.70 C ATOM 401 C HIS A 107 -8.838 -1.617 -3.524 1.00 0.75 C ATOM 402 O HIS A 107 -8.928 -2.607 -2.799 1.00 1.06 O ATOM 403 CB HIS A 107 -9.428 -2.876 -5.637 1.00 0.71 C ATOM 404 CG HIS A 107 -10.289 -3.971 -5.091 1.00 0.85 C ATOM 405 ND1 HIS A 107 -9.741 -5.133 -4.604 1.00 1.03 N ATOM 406 CD2 HIS A 107 -11.638 -4.040 -4.992 1.00 1.00 C ATOM 407 CE1 HIS A 107 -10.764 -5.878 -4.224 1.00 1.21 C ATOM 408 NE2 HIS A 107 -11.933 -5.257 -4.438 1.00 1.18 N ATOM 0 H HIS A 107 -8.020 -0.717 -6.036 1.00 0.65 H new ATOM 0 HA HIS A 107 -10.602 -1.340 -4.717 1.00 0.70 H new ATOM 0 HB2 HIS A 107 -9.689 -2.712 -6.682 1.00 0.71 H new ATOM 0 HB3 HIS A 107 -8.388 -3.203 -5.616 1.00 0.71 H new ATOM 0 HD2 HIS A 107 -12.345 -3.281 -5.292 1.00 1.00 H new ATOM 0 HE1 HIS A 107 -10.670 -6.864 -3.794 1.00 1.21 H new ATOM 0 HE2 HIS A 107 -12.863 -5.621 -4.229 1.00 1.18 H new ATOM 416 N VAL A 108 -8.102 -0.559 -3.207 1.00 0.59 N ATOM 417 CA VAL A 108 -7.381 -0.464 -1.942 1.00 0.63 C ATOM 418 C VAL A 108 -7.872 0.747 -1.164 1.00 0.70 C ATOM 419 O VAL A 108 -8.318 0.632 -0.020 1.00 0.72 O ATOM 420 CB VAL A 108 -5.852 -0.338 -2.156 1.00 0.63 C ATOM 421 CG1 VAL A 108 -5.125 -0.066 -0.839 1.00 0.68 C ATOM 422 CG2 VAL A 108 -5.300 -1.589 -2.823 1.00 0.68 C ATOM 0 H VAL A 108 -7.988 0.253 -3.814 1.00 0.59 H new ATOM 0 HA VAL A 108 -7.573 -1.381 -1.385 1.00 0.63 H new ATOM 0 HB VAL A 108 -5.678 0.513 -2.814 1.00 0.63 H new ATOM 0 HG11 VAL A 108 -4.054 0.017 -1.025 1.00 0.68 H new ATOM 0 HG12 VAL A 108 -5.491 0.865 -0.407 1.00 0.68 H new ATOM 0 HG13 VAL A 108 -5.310 -0.886 -0.145 1.00 0.68 H new ATOM 0 HG21 VAL A 108 -4.225 -1.481 -2.965 1.00 0.68 H new ATOM 0 HG22 VAL A 108 -5.498 -2.455 -2.192 1.00 0.68 H new ATOM 0 HG23 VAL A 108 -5.782 -1.728 -3.791 1.00 0.68 H new ATOM 432 N MET A 109 -7.812 1.904 -1.814 1.00 0.82 N ATOM 433 CA MET A 109 -8.234 3.160 -1.206 1.00 0.99 C ATOM 434 C MET A 109 -9.744 3.197 -1.003 1.00 0.97 C ATOM 435 O MET A 109 -10.265 4.055 -0.295 1.00 1.04 O ATOM 436 CB MET A 109 -7.771 4.346 -2.057 1.00 1.26 C ATOM 437 CG MET A 109 -6.321 4.745 -1.796 1.00 1.46 C ATOM 438 SD MET A 109 -5.172 3.368 -2.014 1.00 1.60 S ATOM 439 CE MET A 109 -3.671 4.030 -1.296 1.00 1.52 C ATOM 0 H MET A 109 -7.472 1.998 -2.771 1.00 0.82 H new ATOM 0 HA MET A 109 -7.767 3.233 -0.224 1.00 0.99 H new ATOM 0 HB2 MET A 109 -7.888 4.096 -3.111 1.00 1.26 H new ATOM 0 HB3 MET A 109 -8.417 5.201 -1.859 1.00 1.26 H new ATOM 0 HG2 MET A 109 -6.044 5.555 -2.471 1.00 1.46 H new ATOM 0 HG3 MET A 109 -6.231 5.131 -0.781 1.00 1.46 H new ATOM 0 HE1 MET A 109 -3.131 3.234 -0.783 1.00 1.52 H new ATOM 0 HE2 MET A 109 -3.043 4.444 -2.084 1.00 1.52 H new ATOM 0 HE3 MET A 109 -3.924 4.815 -0.583 1.00 1.52 H new ATOM 449 N THR A 110 -10.447 2.253 -1.614 1.00 0.98 N ATOM 450 CA THR A 110 -11.887 2.166 -1.463 1.00 1.08 C ATOM 451 C THR A 110 -12.213 1.656 -0.066 1.00 1.03 C ATOM 452 O THR A 110 -13.161 2.109 0.580 1.00 1.13 O ATOM 453 CB THR A 110 -12.491 1.227 -2.516 1.00 1.19 C ATOM 454 OG1 THR A 110 -11.468 0.368 -3.035 1.00 1.27 O ATOM 455 CG2 THR A 110 -13.122 2.019 -3.650 1.00 1.67 C ATOM 0 H THR A 110 -10.041 1.538 -2.218 1.00 0.98 H new ATOM 0 HA THR A 110 -12.317 3.157 -1.605 1.00 1.08 H new ATOM 0 HB THR A 110 -13.269 0.628 -2.042 1.00 1.19 H new ATOM 0 HG1 THR A 110 -11.066 0.780 -3.828 1.00 1.27 H new ATOM 0 HG21 THR A 110 -13.543 1.332 -4.384 1.00 1.67 H new ATOM 0 HG22 THR A 110 -13.913 2.655 -3.253 1.00 1.67 H new ATOM 0 HG23 THR A 110 -12.363 2.639 -4.127 1.00 1.67 H new ATOM 463 N ASN A 111 -11.380 0.728 0.402 1.00 0.96 N ATOM 464 CA ASN A 111 -11.519 0.141 1.727 1.00 1.02 C ATOM 465 C ASN A 111 -10.959 1.110 2.764 1.00 0.98 C ATOM 466 O ASN A 111 -11.246 1.011 3.956 1.00 1.10 O ATOM 467 CB ASN A 111 -10.784 -1.208 1.784 1.00 1.06 C ATOM 468 CG ASN A 111 -10.878 -1.881 3.140 1.00 1.39 C ATOM 469 OD1 ASN A 111 -9.965 -1.789 3.961 1.00 1.74 O ATOM 470 ND2 ASN A 111 -11.985 -2.564 3.383 1.00 1.85 N ATOM 0 H ASN A 111 -10.590 0.364 -0.130 1.00 0.96 H new ATOM 0 HA ASN A 111 -12.572 -0.039 1.943 1.00 1.02 H new ATOM 0 HB2 ASN A 111 -11.198 -1.873 1.026 1.00 1.06 H new ATOM 0 HB3 ASN A 111 -9.734 -1.054 1.534 1.00 1.06 H new ATOM 0 HD21 ASN A 111 -12.105 -3.039 4.278 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -12.718 -2.616 2.676 1.00 1.85 H new ATOM 477 N LEU A 112 -10.174 2.070 2.274 1.00 0.91 N ATOM 478 CA LEU A 112 -9.566 3.097 3.114 1.00 0.95 C ATOM 479 C LEU A 112 -10.652 4.010 3.685 1.00 1.03 C ATOM 480 O LEU A 112 -10.435 4.735 4.656 1.00 1.23 O ATOM 481 CB LEU A 112 -8.548 3.904 2.283 1.00 0.92 C ATOM 482 CG LEU A 112 -7.798 5.026 3.013 1.00 0.87 C ATOM 483 CD1 LEU A 112 -7.079 4.477 4.234 1.00 1.19 C ATOM 484 CD2 LEU A 112 -6.799 5.709 2.067 1.00 0.87 C ATOM 0 H LEU A 112 -9.943 2.156 1.284 1.00 0.91 H new ATOM 0 HA LEU A 112 -9.042 2.629 3.947 1.00 0.95 H new ATOM 0 HB2 LEU A 112 -7.812 3.209 1.879 1.00 0.92 H new ATOM 0 HB3 LEU A 112 -9.073 4.342 1.434 1.00 0.92 H new ATOM 0 HG LEU A 112 -8.525 5.768 3.343 1.00 0.87 H new ATOM 0 HD11 LEU A 112 -6.552 5.286 4.740 1.00 1.19 H new ATOM 0 HD12 LEU A 112 -7.805 4.035 4.916 1.00 1.19 H new ATOM 0 HD13 LEU A 112 -6.363 3.716 3.923 1.00 1.19 H new ATOM 0 HD21 LEU A 112 -6.276 6.502 2.601 1.00 0.87 H new ATOM 0 HD22 LEU A 112 -6.077 4.975 1.709 1.00 0.87 H new ATOM 0 HD23 LEU A 112 -7.334 6.135 1.218 1.00 0.87 H new ATOM 496 N GLY A 113 -11.829 3.957 3.072 1.00 1.01 N ATOM 497 CA GLY A 113 -12.945 4.760 3.520 1.00 1.13 C ATOM 498 C GLY A 113 -13.193 5.942 2.617 1.00 1.03 C ATOM 499 O GLY A 113 -14.179 5.968 1.877 1.00 1.09 O ATOM 0 H GLY A 113 -12.028 3.365 2.265 1.00 1.01 H new ATOM 0 HA2 GLY A 113 -13.842 4.142 3.562 1.00 1.13 H new ATOM 0 HA3 GLY A 113 -12.753 5.113 4.533 1.00 1.13 H new ATOM 503 N GLU A 114 -12.281 6.905 2.668 1.00 1.05 N ATOM 504 CA GLU A 114 -12.379 8.113 1.861 1.00 1.02 C ATOM 505 C GLU A 114 -12.348 7.785 0.375 1.00 0.95 C ATOM 506 O GLU A 114 -11.304 7.434 -0.175 1.00 1.06 O ATOM 507 CB GLU A 114 -11.235 9.069 2.212 1.00 1.16 C ATOM 508 CG GLU A 114 -11.482 9.863 3.483 1.00 1.42 C ATOM 509 CD GLU A 114 -10.298 9.848 4.425 1.00 1.57 C ATOM 510 OE1 GLU A 114 -9.256 10.458 4.096 1.00 2.07 O ATOM 511 OE2 GLU A 114 -10.411 9.238 5.511 1.00 2.09 O ATOM 0 H GLU A 114 -11.456 6.870 3.267 1.00 1.05 H new ATOM 0 HA GLU A 114 -13.332 8.594 2.081 1.00 1.02 H new ATOM 0 HB2 GLU A 114 -10.314 8.497 2.323 1.00 1.16 H new ATOM 0 HB3 GLU A 114 -11.082 9.761 1.384 1.00 1.16 H new ATOM 0 HG2 GLU A 114 -11.719 10.894 3.221 1.00 1.42 H new ATOM 0 HG3 GLU A 114 -12.353 9.456 3.996 1.00 1.42 H new ATOM 518 N LYS A 115 -13.500 7.891 -0.267 1.00 0.95 N ATOM 519 CA LYS A 115 -13.608 7.612 -1.686 1.00 1.00 C ATOM 520 C LYS A 115 -13.612 8.912 -2.466 1.00 0.90 C ATOM 521 O LYS A 115 -14.660 9.521 -2.679 1.00 1.05 O ATOM 522 CB LYS A 115 -14.865 6.793 -1.984 1.00 1.22 C ATOM 523 CG LYS A 115 -14.777 5.367 -1.466 1.00 1.39 C ATOM 524 CD LYS A 115 -16.100 4.633 -1.602 1.00 1.68 C ATOM 525 CE LYS A 115 -16.020 3.247 -0.990 1.00 1.86 C ATOM 526 NZ LYS A 115 -15.749 3.298 0.472 1.00 1.92 N ATOM 0 H LYS A 115 -14.376 8.170 0.176 1.00 0.95 H new ATOM 0 HA LYS A 115 -12.746 7.021 -1.995 1.00 1.00 H new ATOM 0 HB2 LYS A 115 -15.728 7.285 -1.535 1.00 1.22 H new ATOM 0 HB3 LYS A 115 -15.033 6.774 -3.061 1.00 1.22 H new ATOM 0 HG2 LYS A 115 -14.005 4.828 -2.015 1.00 1.39 H new ATOM 0 HG3 LYS A 115 -14.474 5.379 -0.419 1.00 1.39 H new ATOM 0 HD2 LYS A 115 -16.889 5.205 -1.113 1.00 1.68 H new ATOM 0 HD3 LYS A 115 -16.369 4.554 -2.655 1.00 1.68 H new ATOM 0 HE2 LYS A 115 -16.956 2.718 -1.167 1.00 1.86 H new ATOM 0 HE3 LYS A 115 -15.234 2.677 -1.485 1.00 1.86 H new ATOM 0 HZ1 LYS A 115 -14.786 2.953 0.659 1.00 1.92 H new ATOM 0 HZ2 LYS A 115 -15.837 4.278 0.807 1.00 1.92 H new ATOM 0 HZ3 LYS A 115 -16.435 2.698 0.973 1.00 1.92 H new ATOM 540 N LEU A 116 -12.425 9.335 -2.864 1.00 0.84 N ATOM 541 CA LEU A 116 -12.254 10.571 -3.610 1.00 0.80 C ATOM 542 C LEU A 116 -12.648 10.389 -5.072 1.00 0.83 C ATOM 543 O LEU A 116 -13.021 9.291 -5.494 1.00 0.92 O ATOM 544 CB LEU A 116 -10.801 11.041 -3.508 1.00 0.81 C ATOM 545 CG LEU A 116 -10.241 11.126 -2.083 1.00 0.90 C ATOM 546 CD1 LEU A 116 -8.741 11.375 -2.113 1.00 1.27 C ATOM 547 CD2 LEU A 116 -10.946 12.219 -1.294 1.00 1.22 C ATOM 0 H LEU A 116 -11.555 8.834 -2.681 1.00 0.84 H new ATOM 0 HA LEU A 116 -12.909 11.327 -3.177 1.00 0.80 H new ATOM 0 HB2 LEU A 116 -10.175 10.363 -4.087 1.00 0.81 H new ATOM 0 HB3 LEU A 116 -10.720 12.024 -3.972 1.00 0.81 H new ATOM 0 HG LEU A 116 -10.423 10.173 -1.587 1.00 0.90 H new ATOM 0 HD11 LEU A 116 -8.361 11.432 -1.093 1.00 1.27 H new ATOM 0 HD12 LEU A 116 -8.247 10.558 -2.639 1.00 1.27 H new ATOM 0 HD13 LEU A 116 -8.538 12.314 -2.629 1.00 1.27 H new ATOM 0 HD21 LEU A 116 -10.534 12.263 -0.286 1.00 1.22 H new ATOM 0 HD22 LEU A 116 -10.797 13.179 -1.789 1.00 1.22 H new ATOM 0 HD23 LEU A 116 -12.012 11.999 -1.241 1.00 1.22 H new ATOM 559 N THR A 117 -12.555 11.461 -5.846 1.00 0.82 N ATOM 560 CA THR A 117 -12.919 11.418 -7.257 1.00 0.90 C ATOM 561 C THR A 117 -11.828 10.763 -8.102 1.00 0.88 C ATOM 562 O THR A 117 -10.731 10.489 -7.612 1.00 0.81 O ATOM 563 CB THR A 117 -13.210 12.830 -7.795 1.00 0.96 C ATOM 564 OG1 THR A 117 -12.150 13.723 -7.439 1.00 0.95 O ATOM 565 CG2 THR A 117 -14.531 13.350 -7.249 1.00 1.08 C ATOM 0 H THR A 117 -12.231 12.372 -5.522 1.00 0.82 H new ATOM 0 HA THR A 117 -13.823 10.813 -7.333 1.00 0.90 H new ATOM 0 HB THR A 117 -13.280 12.775 -8.881 1.00 0.96 H new ATOM 0 HG1 THR A 117 -12.274 14.027 -6.516 1.00 0.95 H new ATOM 0 HG21 THR A 117 -14.719 14.350 -7.641 1.00 1.08 H new ATOM 0 HG22 THR A 117 -15.338 12.684 -7.553 1.00 1.08 H new ATOM 0 HG23 THR A 117 -14.484 13.390 -6.161 1.00 1.08 H new ATOM 573 N ASP A 118 -12.134 10.533 -9.378 1.00 0.99 N ATOM 574 CA ASP A 118 -11.196 9.894 -10.303 1.00 1.02 C ATOM 575 C ASP A 118 -9.870 10.645 -10.374 1.00 0.94 C ATOM 576 O ASP A 118 -8.804 10.043 -10.249 1.00 0.90 O ATOM 577 CB ASP A 118 -11.810 9.790 -11.700 1.00 1.20 C ATOM 578 CG ASP A 118 -10.843 9.218 -12.720 1.00 1.43 C ATOM 579 OD1 ASP A 118 -10.259 8.147 -12.455 1.00 1.99 O ATOM 580 OD2 ASP A 118 -10.668 9.834 -13.791 1.00 1.94 O ATOM 0 H ASP A 118 -13.030 10.781 -9.798 1.00 0.99 H new ATOM 0 HA ASP A 118 -10.995 8.893 -9.921 1.00 1.02 H new ATOM 0 HB2 ASP A 118 -12.700 9.162 -11.656 1.00 1.20 H new ATOM 0 HB3 ASP A 118 -12.133 10.779 -12.026 1.00 1.20 H new ATOM 585 N GLU A 119 -9.940 11.961 -10.548 1.00 0.95 N ATOM 586 CA GLU A 119 -8.734 12.777 -10.637 1.00 0.94 C ATOM 587 C GLU A 119 -7.955 12.749 -9.325 1.00 0.80 C ATOM 588 O GLU A 119 -6.726 12.770 -9.325 1.00 0.79 O ATOM 589 CB GLU A 119 -9.074 14.218 -11.015 1.00 1.05 C ATOM 590 CG GLU A 119 -8.388 14.688 -12.290 1.00 1.48 C ATOM 591 CD GLU A 119 -6.878 14.521 -12.249 1.00 2.06 C ATOM 592 OE1 GLU A 119 -6.201 15.313 -11.555 1.00 2.51 O ATOM 593 OE2 GLU A 119 -6.355 13.609 -12.927 1.00 2.75 O ATOM 0 H GLU A 119 -10.813 12.482 -10.630 1.00 0.95 H new ATOM 0 HA GLU A 119 -8.107 12.352 -11.421 1.00 0.94 H new ATOM 0 HB2 GLU A 119 -10.153 14.308 -11.138 1.00 1.05 H new ATOM 0 HB3 GLU A 119 -8.790 14.877 -10.195 1.00 1.05 H new ATOM 0 HG2 GLU A 119 -8.787 14.130 -13.137 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -8.627 15.738 -12.459 1.00 1.48 H new ATOM 600 N GLU A 120 -8.669 12.691 -8.208 1.00 0.73 N ATOM 601 CA GLU A 120 -8.023 12.649 -6.903 1.00 0.63 C ATOM 602 C GLU A 120 -7.302 11.314 -6.717 1.00 0.57 C ATOM 603 O GLU A 120 -6.200 11.262 -6.173 1.00 0.52 O ATOM 604 CB GLU A 120 -9.038 12.880 -5.789 1.00 0.64 C ATOM 605 CG GLU A 120 -9.491 14.325 -5.678 1.00 0.72 C ATOM 606 CD GLU A 120 -10.599 14.508 -4.666 1.00 0.81 C ATOM 607 OE1 GLU A 120 -11.690 13.930 -4.857 1.00 0.98 O ATOM 608 OE2 GLU A 120 -10.388 15.240 -3.678 1.00 1.14 O ATOM 0 H GLU A 120 -9.688 12.672 -8.179 1.00 0.73 H new ATOM 0 HA GLU A 120 -7.286 13.450 -6.853 1.00 0.63 H new ATOM 0 HB2 GLU A 120 -9.908 12.246 -5.963 1.00 0.64 H new ATOM 0 HB3 GLU A 120 -8.602 12.569 -4.840 1.00 0.64 H new ATOM 0 HG2 GLU A 120 -8.642 14.948 -5.399 1.00 0.72 H new ATOM 0 HG3 GLU A 120 -9.833 14.671 -6.653 1.00 0.72 H new ATOM 615 N VAL A 121 -7.930 10.238 -7.178 1.00 0.62 N ATOM 616 CA VAL A 121 -7.327 8.913 -7.095 1.00 0.63 C ATOM 617 C VAL A 121 -6.130 8.853 -8.038 1.00 0.62 C ATOM 618 O VAL A 121 -5.105 8.238 -7.734 1.00 0.58 O ATOM 619 CB VAL A 121 -8.335 7.796 -7.452 1.00 0.77 C ATOM 620 CG1 VAL A 121 -7.655 6.432 -7.469 1.00 0.86 C ATOM 621 CG2 VAL A 121 -9.498 7.793 -6.471 1.00 0.81 C ATOM 0 H VAL A 121 -8.853 10.257 -7.612 1.00 0.62 H new ATOM 0 HA VAL A 121 -7.008 8.746 -6.066 1.00 0.63 H new ATOM 0 HB VAL A 121 -8.721 7.998 -8.451 1.00 0.77 H new ATOM 0 HG11 VAL A 121 -8.386 5.664 -7.723 1.00 0.86 H new ATOM 0 HG12 VAL A 121 -6.857 6.433 -8.211 1.00 0.86 H new ATOM 0 HG13 VAL A 121 -7.235 6.222 -6.485 1.00 0.86 H new ATOM 0 HG21 VAL A 121 -10.197 7.000 -6.738 1.00 0.81 H new ATOM 0 HG22 VAL A 121 -9.123 7.621 -5.462 1.00 0.81 H new ATOM 0 HG23 VAL A 121 -10.009 8.755 -6.509 1.00 0.81 H new ATOM 631 N ASP A 122 -6.273 9.511 -9.183 1.00 0.71 N ATOM 632 CA ASP A 122 -5.206 9.582 -10.170 1.00 0.77 C ATOM 633 C ASP A 122 -4.025 10.317 -9.551 1.00 0.69 C ATOM 634 O ASP A 122 -2.886 9.851 -9.607 1.00 0.68 O ATOM 635 CB ASP A 122 -5.688 10.319 -11.421 1.00 0.93 C ATOM 636 CG ASP A 122 -4.964 9.887 -12.680 1.00 1.11 C ATOM 637 OD1 ASP A 122 -3.745 10.127 -12.793 1.00 1.34 O ATOM 638 OD2 ASP A 122 -5.624 9.325 -13.581 1.00 1.38 O ATOM 0 H ASP A 122 -7.124 10.005 -9.450 1.00 0.71 H new ATOM 0 HA ASP A 122 -4.906 8.576 -10.463 1.00 0.77 H new ATOM 0 HB2 ASP A 122 -6.757 10.148 -11.547 1.00 0.93 H new ATOM 0 HB3 ASP A 122 -5.551 11.391 -11.280 1.00 0.93 H new ATOM 643 N GLU A 123 -4.325 11.458 -8.925 1.00 0.66 N ATOM 644 CA GLU A 123 -3.319 12.271 -8.251 1.00 0.65 C ATOM 645 C GLU A 123 -2.593 11.438 -7.208 1.00 0.54 C ATOM 646 O GLU A 123 -1.386 11.572 -7.017 1.00 0.58 O ATOM 647 CB GLU A 123 -3.973 13.476 -7.568 1.00 0.71 C ATOM 648 CG GLU A 123 -3.706 14.800 -8.258 1.00 0.94 C ATOM 649 CD GLU A 123 -2.648 15.624 -7.553 1.00 1.35 C ATOM 650 OE1 GLU A 123 -1.973 15.090 -6.651 1.00 1.94 O ATOM 651 OE2 GLU A 123 -2.488 16.815 -7.892 1.00 1.92 O ATOM 0 H GLU A 123 -5.269 11.840 -8.873 1.00 0.66 H new ATOM 0 HA GLU A 123 -2.608 12.626 -8.997 1.00 0.65 H new ATOM 0 HB2 GLU A 123 -5.050 13.313 -7.522 1.00 0.71 H new ATOM 0 HB3 GLU A 123 -3.615 13.536 -6.540 1.00 0.71 H new ATOM 0 HG2 GLU A 123 -3.391 14.613 -9.284 1.00 0.94 H new ATOM 0 HG3 GLU A 123 -4.632 15.372 -8.308 1.00 0.94 H new ATOM 658 N MET A 124 -3.349 10.567 -6.552 1.00 0.46 N ATOM 659 CA MET A 124 -2.808 9.695 -5.524 1.00 0.42 C ATOM 660 C MET A 124 -1.643 8.875 -6.053 1.00 0.39 C ATOM 661 O MET A 124 -0.575 8.846 -5.442 1.00 0.41 O ATOM 662 CB MET A 124 -3.889 8.767 -4.969 1.00 0.48 C ATOM 663 CG MET A 124 -4.641 9.347 -3.783 1.00 0.66 C ATOM 664 SD MET A 124 -5.017 8.113 -2.525 1.00 0.65 S ATOM 665 CE MET A 124 -3.382 7.470 -2.161 1.00 0.53 C ATOM 0 H MET A 124 -4.348 10.447 -6.718 1.00 0.46 H new ATOM 0 HA MET A 124 -2.444 10.331 -4.717 1.00 0.42 H new ATOM 0 HB2 MET A 124 -4.601 8.537 -5.762 1.00 0.48 H new ATOM 0 HB3 MET A 124 -3.429 7.825 -4.671 1.00 0.48 H new ATOM 0 HG2 MET A 124 -4.047 10.145 -3.337 1.00 0.66 H new ATOM 0 HG3 MET A 124 -5.570 9.798 -4.133 1.00 0.66 H new ATOM 0 HE1 MET A 124 -3.388 6.993 -1.181 1.00 0.53 H new ATOM 0 HE2 MET A 124 -3.102 6.738 -2.919 1.00 0.53 H new ATOM 0 HE3 MET A 124 -2.661 8.287 -2.162 1.00 0.53 H new ATOM 675 N ILE A 125 -1.828 8.221 -7.190 1.00 0.39 N ATOM 676 CA ILE A 125 -0.758 7.411 -7.748 1.00 0.42 C ATOM 677 C ILE A 125 0.260 8.278 -8.469 1.00 0.47 C ATOM 678 O ILE A 125 1.422 7.914 -8.556 1.00 0.49 O ATOM 679 CB ILE A 125 -1.261 6.291 -8.676 1.00 0.48 C ATOM 680 CG1 ILE A 125 -2.396 5.523 -8.001 1.00 0.51 C ATOM 681 CG2 ILE A 125 -0.118 5.337 -8.987 1.00 0.85 C ATOM 682 CD1 ILE A 125 -2.273 4.023 -8.130 1.00 0.79 C ATOM 0 H ILE A 125 -2.691 8.234 -7.734 1.00 0.39 H new ATOM 0 HA ILE A 125 -0.278 6.922 -6.900 1.00 0.42 H new ATOM 0 HB ILE A 125 -1.630 6.734 -9.601 1.00 0.48 H new ATOM 0 HG12 ILE A 125 -2.424 5.787 -6.944 1.00 0.51 H new ATOM 0 HG13 ILE A 125 -3.345 5.840 -8.434 1.00 0.51 H new ATOM 0 HG21 ILE A 125 -0.475 4.544 -9.644 1.00 0.85 H new ATOM 0 HG22 ILE A 125 0.687 5.882 -9.480 1.00 0.85 H new ATOM 0 HG23 ILE A 125 0.254 4.900 -8.060 1.00 0.85 H new ATOM 0 HD11 ILE A 125 -3.113 3.544 -7.627 1.00 0.79 H new ATOM 0 HD12 ILE A 125 -2.276 3.747 -9.184 1.00 0.79 H new ATOM 0 HD13 ILE A 125 -1.341 3.694 -7.672 1.00 0.79 H new ATOM 694 N ARG A 126 -0.163 9.434 -8.976 1.00 0.55 N ATOM 695 CA ARG A 126 0.770 10.345 -9.636 1.00 0.66 C ATOM 696 C ARG A 126 1.787 10.819 -8.603 1.00 0.65 C ATOM 697 O ARG A 126 2.950 11.070 -8.912 1.00 0.76 O ATOM 698 CB ARG A 126 0.043 11.540 -10.267 1.00 0.79 C ATOM 699 CG ARG A 126 -0.827 11.167 -11.459 1.00 1.28 C ATOM 700 CD ARG A 126 -1.015 12.337 -12.414 1.00 1.39 C ATOM 701 NE ARG A 126 -1.703 13.472 -11.792 1.00 1.14 N ATOM 702 CZ ARG A 126 -3.014 13.711 -11.911 1.00 1.24 C ATOM 703 NH1 ARG A 126 -3.804 12.840 -12.518 1.00 1.70 N ATOM 704 NH2 ARG A 126 -3.539 14.809 -11.388 1.00 1.29 N ATOM 0 H ARG A 126 -1.129 9.759 -8.944 1.00 0.55 H new ATOM 0 HA ARG A 126 1.273 9.818 -10.447 1.00 0.66 H new ATOM 0 HB2 ARG A 126 -0.579 12.017 -9.509 1.00 0.79 H new ATOM 0 HB3 ARG A 126 0.781 12.277 -10.584 1.00 0.79 H new ATOM 0 HG2 ARG A 126 -0.373 10.332 -11.993 1.00 1.28 H new ATOM 0 HG3 ARG A 126 -1.800 10.827 -11.105 1.00 1.28 H new ATOM 0 HD2 ARG A 126 -0.041 12.663 -12.778 1.00 1.39 H new ATOM 0 HD3 ARG A 126 -1.584 12.004 -13.282 1.00 1.39 H new ATOM 0 HE ARG A 126 -1.148 14.120 -11.234 1.00 1.14 H new ATOM 0 HH11 ARG A 126 -3.415 11.978 -12.900 1.00 1.70 H new ATOM 0 HH12 ARG A 126 -4.802 13.031 -12.604 1.00 1.70 H new ATOM 0 HH21 ARG A 126 -2.944 15.474 -10.894 1.00 1.29 H new ATOM 0 HH22 ARG A 126 -4.539 14.990 -11.480 1.00 1.29 H new ATOM 718 N GLU A 127 1.322 10.907 -7.360 1.00 0.61 N ATOM 719 CA GLU A 127 2.151 11.299 -6.232 1.00 0.69 C ATOM 720 C GLU A 127 3.106 10.158 -5.881 1.00 0.62 C ATOM 721 O GLU A 127 4.218 10.378 -5.400 1.00 0.72 O ATOM 722 CB GLU A 127 1.241 11.619 -5.039 1.00 0.82 C ATOM 723 CG GLU A 127 1.940 12.282 -3.866 1.00 0.89 C ATOM 724 CD GLU A 127 1.153 13.461 -3.326 1.00 1.04 C ATOM 725 OE1 GLU A 127 0.757 14.329 -4.129 1.00 1.37 O ATOM 726 OE2 GLU A 127 0.921 13.529 -2.100 1.00 1.55 O ATOM 0 H GLU A 127 0.354 10.707 -7.109 1.00 0.61 H new ATOM 0 HA GLU A 127 2.739 12.181 -6.485 1.00 0.69 H new ATOM 0 HB2 GLU A 127 0.435 12.270 -5.379 1.00 0.82 H new ATOM 0 HB3 GLU A 127 0.780 10.694 -4.693 1.00 0.82 H new ATOM 0 HG2 GLU A 127 2.087 11.550 -3.072 1.00 0.89 H new ATOM 0 HG3 GLU A 127 2.929 12.619 -4.177 1.00 0.89 H new ATOM 733 N ALA A 128 2.660 8.936 -6.155 1.00 0.51 N ATOM 734 CA ALA A 128 3.439 7.737 -5.874 1.00 0.49 C ATOM 735 C ALA A 128 4.241 7.290 -7.096 1.00 0.51 C ATOM 736 O ALA A 128 4.967 6.297 -7.044 1.00 0.66 O ATOM 737 CB ALA A 128 2.520 6.612 -5.400 1.00 0.47 C ATOM 0 H ALA A 128 1.750 8.750 -6.577 1.00 0.51 H new ATOM 0 HA ALA A 128 4.149 7.976 -5.082 1.00 0.49 H new ATOM 0 HB1 ALA A 128 3.113 5.721 -5.193 1.00 0.47 H new ATOM 0 HB2 ALA A 128 2.003 6.923 -4.492 1.00 0.47 H new ATOM 0 HB3 ALA A 128 1.788 6.389 -6.176 1.00 0.47 H new ATOM 743 N ASP A 129 4.109 8.029 -8.189 1.00 0.53 N ATOM 744 CA ASP A 129 4.807 7.701 -9.424 1.00 0.57 C ATOM 745 C ASP A 129 5.948 8.680 -9.668 1.00 0.68 C ATOM 746 O ASP A 129 5.734 9.878 -9.847 1.00 0.75 O ATOM 747 CB ASP A 129 3.827 7.707 -10.603 1.00 0.60 C ATOM 748 CG ASP A 129 4.377 6.988 -11.816 1.00 0.64 C ATOM 749 OD1 ASP A 129 5.049 5.952 -11.644 1.00 0.65 O ATOM 750 OD2 ASP A 129 4.134 7.448 -12.946 1.00 0.80 O ATOM 0 H ASP A 129 3.523 8.862 -8.245 1.00 0.53 H new ATOM 0 HA ASP A 129 5.231 6.701 -9.331 1.00 0.57 H new ATOM 0 HB2 ASP A 129 2.893 7.236 -10.298 1.00 0.60 H new ATOM 0 HB3 ASP A 129 3.592 8.737 -10.871 1.00 0.60 H new ATOM 755 N ILE A 130 7.161 8.160 -9.665 1.00 0.76 N ATOM 756 CA ILE A 130 8.350 8.966 -9.869 1.00 0.90 C ATOM 757 C ILE A 130 8.978 8.668 -11.228 1.00 0.98 C ATOM 758 O ILE A 130 9.558 9.551 -11.860 1.00 1.12 O ATOM 759 CB ILE A 130 9.391 8.709 -8.759 1.00 0.98 C ATOM 760 CG1 ILE A 130 8.722 8.754 -7.383 1.00 1.04 C ATOM 761 CG2 ILE A 130 10.520 9.727 -8.836 1.00 1.20 C ATOM 762 CD1 ILE A 130 9.558 8.142 -6.282 1.00 1.23 C ATOM 0 H ILE A 130 7.350 7.168 -9.521 1.00 0.76 H new ATOM 0 HA ILE A 130 8.046 10.012 -9.834 1.00 0.90 H new ATOM 0 HB ILE A 130 9.816 7.716 -8.907 1.00 0.98 H new ATOM 0 HG12 ILE A 130 8.504 9.791 -7.128 1.00 1.04 H new ATOM 0 HG13 ILE A 130 7.767 8.231 -7.436 1.00 1.04 H new ATOM 0 HG21 ILE A 130 11.243 9.529 -8.045 1.00 1.20 H new ATOM 0 HG22 ILE A 130 11.012 9.652 -9.805 1.00 1.20 H new ATOM 0 HG23 ILE A 130 10.114 10.731 -8.713 1.00 1.20 H new ATOM 0 HD11 ILE A 130 9.020 8.210 -5.336 1.00 1.23 H new ATOM 0 HD12 ILE A 130 9.754 7.095 -6.513 1.00 1.23 H new ATOM 0 HD13 ILE A 130 10.503 8.679 -6.201 1.00 1.23 H new ATOM 774 N ASP A 131 8.850 7.424 -11.682 1.00 0.94 N ATOM 775 CA ASP A 131 9.412 7.027 -12.976 1.00 1.05 C ATOM 776 C ASP A 131 8.529 7.512 -14.123 1.00 1.08 C ATOM 777 O ASP A 131 8.948 7.526 -15.281 1.00 1.23 O ATOM 778 CB ASP A 131 9.623 5.503 -13.070 1.00 1.04 C ATOM 779 CG ASP A 131 8.437 4.680 -12.599 1.00 0.97 C ATOM 780 OD1 ASP A 131 7.285 5.155 -12.685 1.00 0.81 O ATOM 781 OD2 ASP A 131 8.645 3.550 -12.121 1.00 1.35 O ATOM 0 H ASP A 131 8.368 6.678 -11.181 1.00 0.94 H new ATOM 0 HA ASP A 131 10.390 7.501 -13.060 1.00 1.05 H new ATOM 0 HB2 ASP A 131 9.844 5.241 -14.105 1.00 1.04 H new ATOM 0 HB3 ASP A 131 10.497 5.231 -12.478 1.00 1.04 H new ATOM 786 N GLY A 132 7.307 7.908 -13.793 1.00 0.99 N ATOM 787 CA GLY A 132 6.386 8.405 -14.796 1.00 1.06 C ATOM 788 C GLY A 132 5.864 7.302 -15.692 1.00 1.07 C ATOM 789 O GLY A 132 5.579 7.527 -16.867 1.00 1.25 O ATOM 0 H GLY A 132 6.936 7.894 -12.843 1.00 0.99 H new ATOM 0 HA2 GLY A 132 5.548 8.898 -14.304 1.00 1.06 H new ATOM 0 HA3 GLY A 132 6.886 9.158 -15.404 1.00 1.06 H new ATOM 793 N ASP A 133 5.753 6.102 -15.138 1.00 0.98 N ATOM 794 CA ASP A 133 5.264 4.957 -15.896 1.00 1.01 C ATOM 795 C ASP A 133 3.743 4.852 -15.780 1.00 0.97 C ATOM 796 O ASP A 133 3.104 4.087 -16.500 1.00 1.06 O ATOM 797 CB ASP A 133 5.943 3.662 -15.422 1.00 0.97 C ATOM 798 CG ASP A 133 5.240 3.009 -14.248 1.00 0.83 C ATOM 799 OD1 ASP A 133 5.389 3.500 -13.102 1.00 0.74 O ATOM 800 OD2 ASP A 133 4.544 1.997 -14.460 1.00 0.89 O ATOM 0 H ASP A 133 5.994 5.896 -14.169 1.00 0.98 H new ATOM 0 HA ASP A 133 5.517 5.103 -16.946 1.00 1.01 H new ATOM 0 HB2 ASP A 133 5.981 2.956 -16.252 1.00 0.97 H new ATOM 0 HB3 ASP A 133 6.973 3.882 -15.143 1.00 0.97 H new ATOM 805 N GLY A 134 3.169 5.634 -14.871 1.00 0.87 N ATOM 806 CA GLY A 134 1.730 5.634 -14.682 1.00 0.88 C ATOM 807 C GLY A 134 1.276 4.636 -13.634 1.00 0.79 C ATOM 808 O GLY A 134 0.127 4.668 -13.191 1.00 0.90 O ATOM 0 H GLY A 134 3.678 6.271 -14.259 1.00 0.87 H new ATOM 0 HA2 GLY A 134 1.406 6.633 -14.390 1.00 0.88 H new ATOM 0 HA3 GLY A 134 1.243 5.405 -15.630 1.00 0.88 H new ATOM 812 N GLN A 135 2.174 3.749 -13.238 1.00 0.70 N ATOM 813 CA GLN A 135 1.858 2.737 -12.244 1.00 0.63 C ATOM 814 C GLN A 135 2.772 2.858 -11.037 1.00 0.49 C ATOM 815 O GLN A 135 3.732 3.631 -11.040 1.00 0.56 O ATOM 816 CB GLN A 135 1.988 1.337 -12.846 1.00 0.76 C ATOM 817 CG GLN A 135 1.007 1.054 -13.972 1.00 0.83 C ATOM 818 CD GLN A 135 1.521 -0.006 -14.930 1.00 0.98 C ATOM 819 OE1 GLN A 135 0.762 -0.850 -15.402 1.00 1.18 O ATOM 820 NE2 GLN A 135 2.807 0.048 -15.246 1.00 1.10 N ATOM 0 H GLN A 135 3.130 3.710 -13.591 1.00 0.70 H new ATOM 0 HA GLN A 135 0.829 2.896 -11.922 1.00 0.63 H new ATOM 0 HB2 GLN A 135 3.003 1.207 -13.221 1.00 0.76 H new ATOM 0 HB3 GLN A 135 1.843 0.599 -12.057 1.00 0.76 H new ATOM 0 HG2 GLN A 135 0.056 0.729 -13.550 1.00 0.83 H new ATOM 0 HG3 GLN A 135 0.813 1.975 -14.522 1.00 0.83 H new ATOM 0 HE21 GLN A 135 3.404 0.764 -14.832 1.00 1.10 H new ATOM 0 HE22 GLN A 135 3.200 -0.627 -15.903 1.00 1.10 H new ATOM 829 N VAL A 136 2.477 2.079 -10.018 1.00 0.42 N ATOM 830 CA VAL A 136 3.254 2.081 -8.794 1.00 0.40 C ATOM 831 C VAL A 136 3.919 0.718 -8.602 1.00 0.43 C ATOM 832 O VAL A 136 3.260 -0.280 -8.313 1.00 0.45 O ATOM 833 CB VAL A 136 2.338 2.463 -7.598 1.00 0.55 C ATOM 834 CG1 VAL A 136 2.751 1.830 -6.282 1.00 1.07 C ATOM 835 CG2 VAL A 136 2.298 3.965 -7.436 1.00 1.08 C ATOM 0 H VAL A 136 1.693 1.427 -10.013 1.00 0.42 H new ATOM 0 HA VAL A 136 4.048 2.825 -8.853 1.00 0.40 H new ATOM 0 HB VAL A 136 1.350 2.071 -7.840 1.00 0.55 H new ATOM 0 HG11 VAL A 136 2.064 2.144 -5.496 1.00 1.07 H new ATOM 0 HG12 VAL A 136 2.723 0.744 -6.376 1.00 1.07 H new ATOM 0 HG13 VAL A 136 3.763 2.146 -6.028 1.00 1.07 H new ATOM 0 HG21 VAL A 136 1.654 4.223 -6.596 1.00 1.08 H new ATOM 0 HG22 VAL A 136 3.305 4.338 -7.249 1.00 1.08 H new ATOM 0 HG23 VAL A 136 1.906 4.419 -8.346 1.00 1.08 H new ATOM 845 N ASN A 137 5.223 0.662 -8.831 1.00 0.48 N ATOM 846 CA ASN A 137 5.967 -0.582 -8.669 1.00 0.56 C ATOM 847 C ASN A 137 6.493 -0.693 -7.247 1.00 0.59 C ATOM 848 O ASN A 137 6.376 0.254 -6.476 1.00 0.56 O ATOM 849 CB ASN A 137 7.120 -0.692 -9.674 1.00 0.63 C ATOM 850 CG ASN A 137 7.876 0.603 -9.871 1.00 0.68 C ATOM 851 OD1 ASN A 137 8.694 0.993 -9.038 1.00 0.72 O ATOM 852 ND2 ASN A 137 7.621 1.266 -10.990 1.00 0.84 N ATOM 0 H ASN A 137 5.787 1.458 -9.128 1.00 0.48 H new ATOM 0 HA ASN A 137 5.282 -1.407 -8.866 1.00 0.56 H new ATOM 0 HB2 ASN A 137 7.815 -1.461 -9.335 1.00 0.63 H new ATOM 0 HB3 ASN A 137 6.724 -1.022 -10.634 1.00 0.63 H new ATOM 0 HD21 ASN A 137 8.112 2.138 -11.189 1.00 0.84 H new ATOM 0 HD22 ASN A 137 6.934 0.904 -11.652 1.00 0.84 H new ATOM 859 N TYR A 138 7.073 -1.845 -6.909 1.00 0.69 N ATOM 860 CA TYR A 138 7.599 -2.091 -5.566 1.00 0.77 C ATOM 861 C TYR A 138 8.551 -0.981 -5.122 1.00 0.77 C ATOM 862 O TYR A 138 8.462 -0.491 -3.995 1.00 0.79 O ATOM 863 CB TYR A 138 8.309 -3.449 -5.518 1.00 0.91 C ATOM 864 CG TYR A 138 8.638 -3.932 -4.119 1.00 1.00 C ATOM 865 CD1 TYR A 138 7.668 -4.538 -3.329 1.00 1.13 C ATOM 866 CD2 TYR A 138 9.919 -3.796 -3.594 1.00 1.08 C ATOM 867 CE1 TYR A 138 7.963 -4.992 -2.057 1.00 1.27 C ATOM 868 CE2 TYR A 138 10.222 -4.246 -2.322 1.00 1.20 C ATOM 869 CZ TYR A 138 9.243 -4.845 -1.558 1.00 1.28 C ATOM 870 OH TYR A 138 9.542 -5.294 -0.288 1.00 1.45 O ATOM 0 H TYR A 138 7.191 -2.628 -7.552 1.00 0.69 H new ATOM 0 HA TYR A 138 6.756 -2.101 -4.875 1.00 0.77 H new ATOM 0 HB2 TYR A 138 7.680 -4.192 -6.008 1.00 0.91 H new ATOM 0 HB3 TYR A 138 9.232 -3.384 -6.094 1.00 0.91 H new ATOM 0 HD1 TYR A 138 6.667 -4.656 -3.716 1.00 1.13 H new ATOM 0 HD2 TYR A 138 10.690 -3.331 -4.190 1.00 1.08 H new ATOM 0 HE1 TYR A 138 7.197 -5.459 -1.456 1.00 1.27 H new ATOM 0 HE2 TYR A 138 11.221 -4.129 -1.929 1.00 1.20 H new ATOM 0 HH TYR A 138 10.485 -5.115 -0.091 1.00 1.45 H new ATOM 880 N GLU A 139 9.444 -0.585 -6.022 1.00 0.78 N ATOM 881 CA GLU A 139 10.417 0.465 -5.742 1.00 0.82 C ATOM 882 C GLU A 139 9.727 1.760 -5.329 1.00 0.77 C ATOM 883 O GLU A 139 10.003 2.300 -4.258 1.00 0.84 O ATOM 884 CB GLU A 139 11.307 0.711 -6.968 1.00 0.87 C ATOM 885 CG GLU A 139 12.326 -0.392 -7.222 1.00 0.99 C ATOM 886 CD GLU A 139 11.725 -1.613 -7.892 1.00 1.22 C ATOM 887 OE1 GLU A 139 11.101 -2.437 -7.195 1.00 1.84 O ATOM 888 OE2 GLU A 139 11.882 -1.763 -9.119 1.00 1.50 O ATOM 0 H GLU A 139 9.514 -0.979 -6.960 1.00 0.78 H new ATOM 0 HA GLU A 139 11.039 0.131 -4.912 1.00 0.82 H new ATOM 0 HB2 GLU A 139 10.674 0.817 -7.849 1.00 0.87 H new ATOM 0 HB3 GLU A 139 11.834 1.656 -6.838 1.00 0.87 H new ATOM 0 HG2 GLU A 139 13.129 -0.000 -7.847 1.00 0.99 H new ATOM 0 HG3 GLU A 139 12.775 -0.689 -6.274 1.00 0.99 H new ATOM 895 N GLU A 140 8.819 2.240 -6.174 1.00 0.68 N ATOM 896 CA GLU A 140 8.085 3.472 -5.897 1.00 0.64 C ATOM 897 C GLU A 140 7.197 3.302 -4.668 1.00 0.62 C ATOM 898 O GLU A 140 7.137 4.178 -3.807 1.00 0.66 O ATOM 899 CB GLU A 140 7.234 3.872 -7.107 1.00 0.58 C ATOM 900 CG GLU A 140 8.028 3.947 -8.401 1.00 0.65 C ATOM 901 CD GLU A 140 7.225 4.498 -9.563 1.00 0.62 C ATOM 902 OE1 GLU A 140 6.396 3.767 -10.149 1.00 0.60 O ATOM 903 OE2 GLU A 140 7.442 5.658 -9.936 1.00 0.68 O ATOM 0 H GLU A 140 8.573 1.794 -7.058 1.00 0.68 H new ATOM 0 HA GLU A 140 8.809 4.263 -5.699 1.00 0.64 H new ATOM 0 HB2 GLU A 140 6.424 3.152 -7.227 1.00 0.58 H new ATOM 0 HB3 GLU A 140 6.774 4.841 -6.914 1.00 0.58 H new ATOM 0 HG2 GLU A 140 8.906 4.574 -8.245 1.00 0.65 H new ATOM 0 HG3 GLU A 140 8.389 2.951 -8.657 1.00 0.65 H new ATOM 910 N PHE A 141 6.534 2.153 -4.592 1.00 0.60 N ATOM 911 CA PHE A 141 5.639 1.819 -3.488 1.00 0.62 C ATOM 912 C PHE A 141 6.337 1.971 -2.138 1.00 0.72 C ATOM 913 O PHE A 141 5.900 2.744 -1.284 1.00 0.77 O ATOM 914 CB PHE A 141 5.144 0.376 -3.666 1.00 0.64 C ATOM 915 CG PHE A 141 4.282 -0.142 -2.553 1.00 0.59 C ATOM 916 CD1 PHE A 141 2.938 0.182 -2.491 1.00 0.61 C ATOM 917 CD2 PHE A 141 4.813 -0.973 -1.582 1.00 0.73 C ATOM 918 CE1 PHE A 141 2.141 -0.308 -1.476 1.00 0.74 C ATOM 919 CE2 PHE A 141 4.021 -1.470 -0.566 1.00 0.85 C ATOM 920 CZ PHE A 141 2.683 -1.137 -0.513 1.00 0.85 C ATOM 0 H PHE A 141 6.603 1.421 -5.300 1.00 0.60 H new ATOM 0 HA PHE A 141 4.795 2.509 -3.501 1.00 0.62 H new ATOM 0 HB2 PHE A 141 4.583 0.313 -4.599 1.00 0.64 H new ATOM 0 HB3 PHE A 141 6.009 -0.279 -3.769 1.00 0.64 H new ATOM 0 HD1 PHE A 141 2.508 0.825 -3.245 1.00 0.61 H new ATOM 0 HD2 PHE A 141 5.860 -1.236 -1.619 1.00 0.73 H new ATOM 0 HE1 PHE A 141 1.095 -0.044 -1.435 1.00 0.74 H new ATOM 0 HE2 PHE A 141 4.448 -2.118 0.185 1.00 0.85 H new ATOM 0 HZ PHE A 141 2.060 -1.524 0.280 1.00 0.85 H new ATOM 930 N VAL A 142 7.433 1.246 -1.964 1.00 0.80 N ATOM 931 CA VAL A 142 8.182 1.279 -0.717 1.00 0.92 C ATOM 932 C VAL A 142 8.813 2.647 -0.466 1.00 0.91 C ATOM 933 O VAL A 142 8.618 3.237 0.593 1.00 0.99 O ATOM 934 CB VAL A 142 9.289 0.203 -0.696 1.00 1.06 C ATOM 935 CG1 VAL A 142 10.072 0.245 0.606 1.00 1.23 C ATOM 936 CG2 VAL A 142 8.696 -1.180 -0.910 1.00 1.07 C ATOM 0 H VAL A 142 7.824 0.626 -2.673 1.00 0.80 H new ATOM 0 HA VAL A 142 7.463 1.073 0.076 1.00 0.92 H new ATOM 0 HB VAL A 142 9.978 0.419 -1.513 1.00 1.06 H new ATOM 0 HG11 VAL A 142 10.844 -0.524 0.591 1.00 1.23 H new ATOM 0 HG12 VAL A 142 10.537 1.224 0.719 1.00 1.23 H new ATOM 0 HG13 VAL A 142 9.397 0.065 1.443 1.00 1.23 H new ATOM 0 HG21 VAL A 142 9.492 -1.924 -0.892 1.00 1.07 H new ATOM 0 HG22 VAL A 142 7.980 -1.395 -0.117 1.00 1.07 H new ATOM 0 HG23 VAL A 142 8.190 -1.214 -1.875 1.00 1.07 H new ATOM 946 N GLN A 143 9.543 3.151 -1.452 1.00 0.87 N ATOM 947 CA GLN A 143 10.234 4.432 -1.327 1.00 0.91 C ATOM 948 C GLN A 143 9.288 5.582 -0.976 1.00 0.82 C ATOM 949 O GLN A 143 9.611 6.414 -0.131 1.00 0.95 O ATOM 950 CB GLN A 143 10.976 4.752 -2.621 1.00 0.96 C ATOM 951 CG GLN A 143 11.741 6.063 -2.574 1.00 1.27 C ATOM 952 CD GLN A 143 12.579 6.283 -3.812 1.00 1.43 C ATOM 953 OE1 GLN A 143 12.096 6.794 -4.817 1.00 1.65 O ATOM 954 NE2 GLN A 143 13.843 5.899 -3.747 1.00 1.96 N ATOM 0 H GLN A 143 9.674 2.691 -2.353 1.00 0.87 H new ATOM 0 HA GLN A 143 10.941 4.333 -0.504 1.00 0.91 H new ATOM 0 HB2 GLN A 143 11.672 3.942 -2.841 1.00 0.96 H new ATOM 0 HB3 GLN A 143 10.260 4.788 -3.442 1.00 0.96 H new ATOM 0 HG2 GLN A 143 11.037 6.888 -2.463 1.00 1.27 H new ATOM 0 HG3 GLN A 143 12.386 6.074 -1.695 1.00 1.27 H new ATOM 0 HE21 GLN A 143 14.205 5.478 -2.891 1.00 1.96 H new ATOM 0 HE22 GLN A 143 14.456 6.024 -4.553 1.00 1.96 H new ATOM 963 N MET A 144 8.127 5.624 -1.617 1.00 0.68 N ATOM 964 CA MET A 144 7.157 6.691 -1.375 1.00 0.64 C ATOM 965 C MET A 144 6.679 6.709 0.073 1.00 0.64 C ATOM 966 O MET A 144 6.539 7.771 0.675 1.00 0.70 O ATOM 967 CB MET A 144 5.955 6.543 -2.304 1.00 0.65 C ATOM 968 CG MET A 144 5.023 7.743 -2.287 1.00 0.71 C ATOM 969 SD MET A 144 3.304 7.282 -2.008 1.00 0.89 S ATOM 970 CE MET A 144 2.480 8.801 -2.467 1.00 0.60 C ATOM 0 H MET A 144 7.832 4.934 -2.308 1.00 0.68 H new ATOM 0 HA MET A 144 7.664 7.635 -1.578 1.00 0.64 H new ATOM 0 HB2 MET A 144 6.310 6.384 -3.322 1.00 0.65 H new ATOM 0 HB3 MET A 144 5.394 5.653 -2.019 1.00 0.65 H new ATOM 0 HG2 MET A 144 5.341 8.434 -1.507 1.00 0.71 H new ATOM 0 HG3 MET A 144 5.103 8.274 -3.235 1.00 0.71 H new ATOM 0 HE1 MET A 144 1.517 8.861 -1.959 1.00 0.60 H new ATOM 0 HE2 MET A 144 3.097 9.652 -2.177 1.00 0.60 H new ATOM 0 HE3 MET A 144 2.323 8.818 -3.545 1.00 0.60 H new ATOM 980 N MET A 145 6.436 5.531 0.628 1.00 0.67 N ATOM 981 CA MET A 145 5.955 5.427 2.001 1.00 0.79 C ATOM 982 C MET A 145 7.099 5.546 3.000 1.00 0.89 C ATOM 983 O MET A 145 6.914 6.046 4.111 1.00 0.98 O ATOM 984 CB MET A 145 5.209 4.110 2.214 1.00 0.92 C ATOM 985 CG MET A 145 4.017 3.933 1.289 1.00 0.94 C ATOM 986 SD MET A 145 2.719 2.923 2.023 1.00 1.14 S ATOM 987 CE MET A 145 1.950 2.229 0.563 1.00 0.68 C ATOM 0 H MET A 145 6.563 4.637 0.153 1.00 0.67 H new ATOM 0 HA MET A 145 5.266 6.255 2.171 1.00 0.79 H new ATOM 0 HB2 MET A 145 5.901 3.281 2.065 1.00 0.92 H new ATOM 0 HB3 MET A 145 4.868 4.058 3.248 1.00 0.92 H new ATOM 0 HG2 MET A 145 3.611 4.912 1.034 1.00 0.94 H new ATOM 0 HG3 MET A 145 4.349 3.473 0.358 1.00 0.94 H new ATOM 0 HE1 MET A 145 1.681 1.190 0.753 1.00 0.68 H new ATOM 0 HE2 MET A 145 1.053 2.798 0.319 1.00 0.68 H new ATOM 0 HE3 MET A 145 2.648 2.276 -0.273 1.00 0.68 H new ATOM 997 N THR A 146 8.282 5.097 2.608 1.00 0.98 N ATOM 998 CA THR A 146 9.443 5.159 3.483 1.00 1.16 C ATOM 999 C THR A 146 10.163 6.496 3.326 1.00 1.21 C ATOM 1000 O THR A 146 11.333 6.555 2.940 1.00 1.37 O ATOM 1001 CB THR A 146 10.420 3.998 3.200 1.00 1.29 C ATOM 1002 OG1 THR A 146 9.684 2.794 2.962 1.00 1.26 O ATOM 1003 CG2 THR A 146 11.367 3.779 4.372 1.00 1.53 C ATOM 0 H THR A 146 8.463 4.687 1.692 1.00 0.98 H new ATOM 0 HA THR A 146 9.088 5.065 4.509 1.00 1.16 H new ATOM 0 HB THR A 146 11.008 4.259 2.320 1.00 1.29 H new ATOM 0 HG1 THR A 146 9.452 2.735 2.012 1.00 1.26 H new ATOM 0 HG21 THR A 146 12.043 2.955 4.144 1.00 1.53 H new ATOM 0 HG22 THR A 146 11.946 4.686 4.547 1.00 1.53 H new ATOM 0 HG23 THR A 146 10.791 3.539 5.265 1.00 1.53 H new ATOM 1011 N ALA A 147 9.440 7.568 3.609 1.00 1.20 N ATOM 1012 CA ALA A 147 9.992 8.908 3.520 1.00 1.32 C ATOM 1013 C ALA A 147 10.802 9.228 4.769 1.00 1.47 C ATOM 1014 O ALA A 147 10.389 8.906 5.886 1.00 1.64 O ATOM 1015 CB ALA A 147 8.881 9.931 3.328 1.00 1.35 C ATOM 0 H ALA A 147 8.464 7.534 3.904 1.00 1.20 H new ATOM 0 HA ALA A 147 10.654 8.955 2.655 1.00 1.32 H new ATOM 0 HB1 ALA A 147 9.313 10.930 3.263 1.00 1.35 H new ATOM 0 HB2 ALA A 147 8.338 9.710 2.409 1.00 1.35 H new ATOM 0 HB3 ALA A 147 8.195 9.886 4.174 1.00 1.35 H new ATOM 1021 N LYS A 148 11.959 9.843 4.582 1.00 1.60 N ATOM 1022 CA LYS A 148 12.826 10.196 5.692 1.00 1.83 C ATOM 1023 C LYS A 148 13.594 11.463 5.367 1.00 2.10 C ATOM 1024 O LYS A 148 13.506 11.923 4.211 1.00 2.31 O ATOM 1025 CB LYS A 148 13.800 9.056 5.999 1.00 2.09 C ATOM 1026 CG LYS A 148 13.374 8.179 7.167 1.00 2.36 C ATOM 1027 CD LYS A 148 14.075 8.576 8.462 1.00 2.64 C ATOM 1028 CE LYS A 148 13.509 9.862 9.055 1.00 2.97 C ATOM 1029 NZ LYS A 148 14.363 11.045 8.754 1.00 3.35 N ATOM 1030 OXT LYS A 148 14.286 11.987 6.265 1.00 2.41 O ATOM 0 H LYS A 148 12.320 10.109 3.666 1.00 1.60 H new ATOM 0 HA LYS A 148 12.208 10.369 6.573 1.00 1.83 H new ATOM 0 HB2 LYS A 148 13.907 8.434 5.110 1.00 2.09 H new ATOM 0 HB3 LYS A 148 14.782 9.478 6.213 1.00 2.09 H new ATOM 0 HG2 LYS A 148 12.295 8.252 7.301 1.00 2.36 H new ATOM 0 HG3 LYS A 148 13.597 7.137 6.938 1.00 2.36 H new ATOM 0 HD2 LYS A 148 13.976 7.769 9.188 1.00 2.64 H new ATOM 0 HD3 LYS A 148 15.140 8.704 8.271 1.00 2.64 H new ATOM 0 HE2 LYS A 148 12.506 10.031 8.662 1.00 2.97 H new ATOM 0 HE3 LYS A 148 13.413 9.751 10.135 1.00 2.97 H new ATOM 0 HZ1 LYS A 148 13.890 11.909 9.088 1.00 3.35 H new ATOM 0 HZ2 LYS A 148 15.279 10.944 9.236 1.00 3.35 H new ATOM 0 HZ3 LYS A 148 14.517 11.109 7.728 1.00 3.35 H new TER 1044 LYS A 148 ATOM 1045 N ARG B 287 -2.975 16.222 0.013 1.00 2.05 N ATOM 1046 CA ARG B 287 -1.865 15.355 -0.444 1.00 1.53 C ATOM 1047 C ARG B 287 -2.332 13.912 -0.517 1.00 1.32 C ATOM 1048 O ARG B 287 -3.397 13.570 -0.006 1.00 1.51 O ATOM 1049 CB ARG B 287 -0.676 15.460 0.512 1.00 1.48 C ATOM 1050 CG ARG B 287 0.097 16.763 0.394 1.00 1.75 C ATOM 1051 CD ARG B 287 1.343 16.601 -0.461 1.00 1.82 C ATOM 1052 NE ARG B 287 1.026 16.354 -1.868 1.00 1.74 N ATOM 1053 CZ ARG B 287 0.915 17.314 -2.788 1.00 1.95 C ATOM 1054 NH1 ARG B 287 1.009 18.595 -2.442 1.00 2.21 N ATOM 1055 NH2 ARG B 287 0.690 16.984 -4.051 1.00 2.14 N ATOM 0 HA ARG B 287 -1.552 15.686 -1.434 1.00 1.53 H new ATOM 0 HB2 ARG B 287 -1.035 15.354 1.536 1.00 1.48 H new ATOM 0 HB3 ARG B 287 0.003 14.628 0.324 1.00 1.48 H new ATOM 0 HG2 ARG B 287 -0.545 17.529 -0.040 1.00 1.75 H new ATOM 0 HG3 ARG B 287 0.380 17.110 1.388 1.00 1.75 H new ATOM 0 HD2 ARG B 287 1.954 17.500 -0.382 1.00 1.82 H new ATOM 0 HD3 ARG B 287 1.940 15.775 -0.075 1.00 1.82 H new ATOM 0 HE ARG B 287 0.881 15.389 -2.164 1.00 1.74 H new ATOM 0 HH11 ARG B 287 1.167 18.850 -1.467 1.00 2.21 H new ATOM 0 HH12 ARG B 287 0.923 19.323 -3.152 1.00 2.21 H new ATOM 0 HH21 ARG B 287 0.603 16.002 -4.314 1.00 2.14 H new ATOM 0 HH22 ARG B 287 0.604 17.712 -4.761 1.00 2.14 H new ATOM 1071 N ALA B 288 -1.531 13.072 -1.148 1.00 1.19 N ATOM 1072 CA ALA B 288 -1.854 11.664 -1.285 1.00 1.22 C ATOM 1073 C ALA B 288 -0.826 10.803 -0.572 1.00 1.09 C ATOM 1074 O ALA B 288 -1.054 9.618 -0.320 1.00 1.06 O ATOM 1075 CB ALA B 288 -1.916 11.292 -2.749 1.00 1.57 C ATOM 0 H ALA B 288 -0.646 13.344 -1.576 1.00 1.19 H new ATOM 0 HA ALA B 288 -2.827 11.486 -0.827 1.00 1.22 H new ATOM 0 HB1 ALA B 288 -2.159 10.234 -2.846 1.00 1.57 H new ATOM 0 HB2 ALA B 288 -2.684 11.887 -3.243 1.00 1.57 H new ATOM 0 HB3 ALA B 288 -0.950 11.487 -3.215 1.00 1.57 H new ATOM 1081 N ALA B 289 0.303 11.420 -0.241 1.00 1.09 N ATOM 1082 CA ALA B 289 1.398 10.743 0.443 1.00 1.10 C ATOM 1083 C ALA B 289 0.979 10.167 1.795 1.00 0.97 C ATOM 1084 O ALA B 289 1.668 9.314 2.338 1.00 1.13 O ATOM 1085 CB ALA B 289 2.571 11.699 0.629 1.00 1.18 C ATOM 0 H ALA B 289 0.485 12.404 -0.440 1.00 1.09 H new ATOM 0 HA ALA B 289 1.698 9.906 -0.187 1.00 1.10 H new ATOM 0 HB1 ALA B 289 3.383 11.183 1.141 1.00 1.18 H new ATOM 0 HB2 ALA B 289 2.917 12.044 -0.345 1.00 1.18 H new ATOM 0 HB3 ALA B 289 2.252 12.554 1.225 1.00 1.18 H new ATOM 1091 N ASN B 290 -0.128 10.649 2.351 1.00 0.80 N ATOM 1092 CA ASN B 290 -0.603 10.152 3.642 1.00 0.72 C ATOM 1093 C ASN B 290 -1.577 8.980 3.470 1.00 0.65 C ATOM 1094 O ASN B 290 -1.606 8.051 4.293 1.00 0.64 O ATOM 1095 CB ASN B 290 -1.253 11.282 4.461 1.00 0.77 C ATOM 1096 CG ASN B 290 -2.444 11.926 3.773 1.00 0.88 C ATOM 1097 OD1 ASN B 290 -2.305 12.566 2.727 1.00 1.07 O ATOM 1098 ND2 ASN B 290 -3.616 11.781 4.369 1.00 1.04 N ATOM 0 H ASN B 290 -0.710 11.376 1.935 1.00 0.80 H new ATOM 0 HA ASN B 290 0.265 9.785 4.190 1.00 0.72 H new ATOM 0 HB2 ASN B 290 -1.572 10.884 5.424 1.00 0.77 H new ATOM 0 HB3 ASN B 290 -0.505 12.048 4.665 1.00 0.77 H new ATOM 0 HD21 ASN B 290 -4.450 12.207 3.965 1.00 1.04 H new ATOM 0 HD22 ASN B 290 -3.686 11.243 5.233 1.00 1.04 H new ATOM 1105 N LEU B 291 -2.345 8.984 2.382 1.00 0.64 N ATOM 1106 CA LEU B 291 -3.312 7.916 2.160 1.00 0.61 C ATOM 1107 C LEU B 291 -2.622 6.600 1.834 1.00 0.52 C ATOM 1108 O LEU B 291 -3.025 5.581 2.355 1.00 0.52 O ATOM 1109 CB LEU B 291 -4.343 8.255 1.080 1.00 0.67 C ATOM 1110 CG LEU B 291 -5.535 9.098 1.544 1.00 0.77 C ATOM 1111 CD1 LEU B 291 -5.120 10.539 1.790 1.00 1.52 C ATOM 1112 CD2 LEU B 291 -6.659 9.038 0.521 1.00 1.28 C ATOM 0 H LEU B 291 -2.317 9.699 1.656 1.00 0.64 H new ATOM 0 HA LEU B 291 -3.855 7.807 3.099 1.00 0.61 H new ATOM 0 HB2 LEU B 291 -3.837 8.786 0.274 1.00 0.67 H new ATOM 0 HB3 LEU B 291 -4.722 7.323 0.659 1.00 0.67 H new ATOM 0 HG LEU B 291 -5.896 8.683 2.485 1.00 0.77 H new ATOM 0 HD11 LEU B 291 -5.985 11.116 2.118 1.00 1.52 H new ATOM 0 HD12 LEU B 291 -4.350 10.569 2.561 1.00 1.52 H new ATOM 0 HD13 LEU B 291 -4.727 10.967 0.868 1.00 1.52 H new ATOM 0 HD21 LEU B 291 -7.498 9.642 0.866 1.00 1.28 H new ATOM 0 HD22 LEU B 291 -6.303 9.424 -0.434 1.00 1.28 H new ATOM 0 HD23 LEU B 291 -6.983 8.005 0.397 1.00 1.28 H new ATOM 1124 N TRP B 292 -1.585 6.606 0.995 1.00 0.48 N ATOM 1125 CA TRP B 292 -0.883 5.353 0.672 1.00 0.42 C ATOM 1126 C TRP B 292 -0.436 4.631 1.975 1.00 0.42 C ATOM 1127 O TRP B 292 -0.770 3.448 2.191 1.00 0.41 O ATOM 1128 CB TRP B 292 0.327 5.603 -0.245 1.00 0.41 C ATOM 1129 CG TRP B 292 0.027 5.805 -1.705 1.00 0.32 C ATOM 1130 CD1 TRP B 292 -0.282 6.989 -2.314 1.00 0.32 C ATOM 1131 CD2 TRP B 292 0.063 4.814 -2.757 1.00 0.27 C ATOM 1132 NE1 TRP B 292 -0.425 6.806 -3.666 1.00 0.29 N ATOM 1133 CE2 TRP B 292 -0.221 5.486 -3.962 1.00 0.25 C ATOM 1134 CE3 TRP B 292 0.312 3.432 -2.807 1.00 0.31 C ATOM 1135 CZ2 TRP B 292 -0.256 4.827 -5.191 1.00 0.27 C ATOM 1136 CZ3 TRP B 292 0.262 2.798 -4.043 1.00 0.31 C ATOM 1137 CH2 TRP B 292 -0.012 3.510 -5.204 1.00 0.29 C ATOM 0 H TRP B 292 -1.216 7.438 0.535 1.00 0.48 H new ATOM 0 HA TRP B 292 -1.580 4.711 0.133 1.00 0.42 H new ATOM 0 HB2 TRP B 292 0.857 6.483 0.120 1.00 0.41 H new ATOM 0 HB3 TRP B 292 1.009 4.758 -0.150 1.00 0.41 H new ATOM 0 HD1 TRP B 292 -0.397 7.934 -1.804 1.00 0.32 H new ATOM 0 HE1 TRP B 292 -0.648 7.537 -4.342 1.00 0.29 H new ATOM 0 HE3 TRP B 292 0.536 2.877 -1.908 1.00 0.31 H new ATOM 0 HZ2 TRP B 292 -0.473 5.362 -6.104 1.00 0.27 H new ATOM 0 HZ3 TRP B 292 0.439 1.734 -4.102 1.00 0.31 H new ATOM 0 HH2 TRP B 292 -0.029 2.985 -6.147 1.00 0.29 H new ATOM 1148 N PRO B 293 0.321 5.314 2.878 1.00 0.47 N ATOM 1149 CA PRO B 293 0.744 4.711 4.145 1.00 0.51 C ATOM 1150 C PRO B 293 -0.437 4.311 5.014 1.00 0.51 C ATOM 1151 O PRO B 293 -0.288 3.500 5.923 1.00 0.52 O ATOM 1152 CB PRO B 293 1.553 5.810 4.835 1.00 0.59 C ATOM 1153 CG PRO B 293 1.988 6.696 3.736 1.00 0.61 C ATOM 1154 CD PRO B 293 0.875 6.667 2.732 1.00 0.53 C ATOM 0 HA PRO B 293 1.311 3.795 3.978 1.00 0.51 H new ATOM 0 HB2 PRO B 293 0.948 6.350 5.564 1.00 0.59 H new ATOM 0 HB3 PRO B 293 2.406 5.396 5.373 1.00 0.59 H new ATOM 0 HG2 PRO B 293 2.165 7.709 4.096 1.00 0.61 H new ATOM 0 HG3 PRO B 293 2.922 6.346 3.296 1.00 0.61 H new ATOM 0 HD2 PRO B 293 0.127 7.432 2.939 1.00 0.53 H new ATOM 0 HD3 PRO B 293 1.241 6.845 1.721 1.00 0.53 H new ATOM 1162 N SER B 294 -1.608 4.897 4.754 1.00 0.52 N ATOM 1163 CA SER B 294 -2.794 4.550 5.521 1.00 0.55 C ATOM 1164 C SER B 294 -3.085 3.041 5.394 1.00 0.51 C ATOM 1165 O SER B 294 -3.019 2.355 6.408 1.00 0.52 O ATOM 1166 CB SER B 294 -3.991 5.427 5.145 1.00 0.59 C ATOM 1167 OG SER B 294 -3.755 6.784 5.489 1.00 0.67 O ATOM 0 H SER B 294 -1.754 5.601 4.031 1.00 0.52 H new ATOM 0 HA SER B 294 -2.603 4.756 6.574 1.00 0.55 H new ATOM 0 HB2 SER B 294 -4.183 5.347 4.075 1.00 0.59 H new ATOM 0 HB3 SER B 294 -4.884 5.068 5.657 1.00 0.59 H new ATOM 0 HG SER B 294 -2.970 7.113 5.003 1.00 0.67 H new ATOM 1173 N PRO B 295 -3.415 2.463 4.194 1.00 0.47 N ATOM 1174 CA PRO B 295 -3.609 1.012 4.087 1.00 0.46 C ATOM 1175 C PRO B 295 -2.395 0.250 4.603 1.00 0.44 C ATOM 1176 O PRO B 295 -2.530 -0.855 5.126 1.00 0.46 O ATOM 1177 CB PRO B 295 -3.797 0.767 2.592 1.00 0.46 C ATOM 1178 CG PRO B 295 -4.345 2.036 2.077 1.00 0.58 C ATOM 1179 CD PRO B 295 -3.709 3.115 2.907 1.00 0.47 C ATOM 0 HA PRO B 295 -4.455 0.668 4.683 1.00 0.46 H new ATOM 0 HB2 PRO B 295 -2.853 0.517 2.109 1.00 0.46 H new ATOM 0 HB3 PRO B 295 -4.479 -0.064 2.408 1.00 0.46 H new ATOM 0 HG2 PRO B 295 -4.111 2.164 1.020 1.00 0.58 H new ATOM 0 HG3 PRO B 295 -5.431 2.060 2.168 1.00 0.58 H new ATOM 0 HD2 PRO B 295 -2.801 3.494 2.437 1.00 0.47 H new ATOM 0 HD3 PRO B 295 -4.380 3.964 3.036 1.00 0.47 H new ATOM 1187 N LEU B 296 -1.202 0.838 4.444 1.00 0.44 N ATOM 1188 CA LEU B 296 0.014 0.204 4.957 1.00 0.45 C ATOM 1189 C LEU B 296 -0.086 0.063 6.482 1.00 0.43 C ATOM 1190 O LEU B 296 0.159 -1.007 7.051 1.00 0.43 O ATOM 1191 CB LEU B 296 1.255 1.024 4.588 1.00 0.48 C ATOM 1192 CG LEU B 296 2.564 0.233 4.533 1.00 0.69 C ATOM 1193 CD1 LEU B 296 2.687 -0.485 3.198 1.00 0.91 C ATOM 1194 CD2 LEU B 296 3.761 1.146 4.769 1.00 0.94 C ATOM 0 H LEU B 296 -1.056 1.732 3.975 1.00 0.44 H new ATOM 0 HA LEU B 296 0.111 -0.783 4.504 1.00 0.45 H new ATOM 0 HB2 LEU B 296 1.088 1.489 3.616 1.00 0.48 H new ATOM 0 HB3 LEU B 296 1.367 1.831 5.312 1.00 0.48 H new ATOM 0 HG LEU B 296 2.551 -0.512 5.328 1.00 0.69 H new ATOM 0 HD11 LEU B 296 3.622 -1.044 3.171 1.00 0.91 H new ATOM 0 HD12 LEU B 296 1.850 -1.172 3.076 1.00 0.91 H new ATOM 0 HD13 LEU B 296 2.678 0.246 2.390 1.00 0.91 H new ATOM 0 HD21 LEU B 296 4.679 0.561 4.725 1.00 0.94 H new ATOM 0 HD22 LEU B 296 3.786 1.919 4.001 1.00 0.94 H new ATOM 0 HD23 LEU B 296 3.675 1.613 5.750 1.00 0.94 H new ATOM 1206 N MET B 297 -0.470 1.154 7.136 1.00 0.49 N ATOM 1207 CA MET B 297 -0.638 1.167 8.584 1.00 0.51 C ATOM 1208 C MET B 297 -1.820 0.287 8.959 1.00 0.46 C ATOM 1209 O MET B 297 -1.854 -0.314 10.034 1.00 0.47 O ATOM 1210 CB MET B 297 -0.847 2.598 9.091 1.00 0.60 C ATOM 1211 CG MET B 297 -0.737 2.735 10.602 1.00 0.95 C ATOM 1212 SD MET B 297 -0.511 4.445 11.137 1.00 1.26 S ATOM 1213 CE MET B 297 1.055 4.838 10.356 1.00 1.48 C ATOM 0 H MET B 297 -0.672 2.045 6.683 1.00 0.49 H new ATOM 0 HA MET B 297 0.264 0.776 9.054 1.00 0.51 H new ATOM 0 HB2 MET B 297 -0.111 3.251 8.622 1.00 0.60 H new ATOM 0 HB3 MET B 297 -1.830 2.946 8.774 1.00 0.60 H new ATOM 0 HG2 MET B 297 -1.637 2.331 11.065 1.00 0.95 H new ATOM 0 HG3 MET B 297 0.101 2.135 10.956 1.00 0.95 H new ATOM 0 HE1 MET B 297 1.563 5.613 10.930 1.00 1.48 H new ATOM 0 HE2 MET B 297 1.679 3.945 10.321 1.00 1.48 H new ATOM 0 HE3 MET B 297 0.876 5.195 9.342 1.00 1.48 H new ATOM 1223 N ILE B 298 -2.789 0.211 8.053 1.00 0.46 N ATOM 1224 CA ILE B 298 -3.958 -0.625 8.256 1.00 0.49 C ATOM 1225 C ILE B 298 -3.533 -2.087 8.208 1.00 0.48 C ATOM 1226 O ILE B 298 -4.138 -2.927 8.851 1.00 0.54 O ATOM 1227 CB ILE B 298 -5.079 -0.352 7.217 1.00 0.59 C ATOM 1228 CG1 ILE B 298 -5.601 1.085 7.347 1.00 0.61 C ATOM 1229 CG2 ILE B 298 -6.226 -1.342 7.382 1.00 0.70 C ATOM 1230 CD1 ILE B 298 -6.109 1.431 8.732 1.00 0.62 C ATOM 0 H ILE B 298 -2.784 0.721 7.170 1.00 0.46 H new ATOM 0 HA ILE B 298 -4.379 -0.384 9.232 1.00 0.49 H new ATOM 0 HB ILE B 298 -4.651 -0.480 6.223 1.00 0.59 H new ATOM 0 HG12 ILE B 298 -4.802 1.777 7.080 1.00 0.61 H new ATOM 0 HG13 ILE B 298 -6.406 1.235 6.627 1.00 0.61 H new ATOM 0 HG21 ILE B 298 -6.999 -1.130 6.643 1.00 0.70 H new ATOM 0 HG22 ILE B 298 -5.855 -2.357 7.238 1.00 0.70 H new ATOM 0 HG23 ILE B 298 -6.646 -1.248 8.383 1.00 0.70 H new ATOM 0 HD11 ILE B 298 -6.461 2.463 8.743 1.00 0.62 H new ATOM 0 HD12 ILE B 298 -6.931 0.765 8.995 1.00 0.62 H new ATOM 0 HD13 ILE B 298 -5.302 1.315 9.455 1.00 0.62 H new ATOM 1242 N LYS B 299 -2.470 -2.381 7.460 1.00 0.47 N ATOM 1243 CA LYS B 299 -1.956 -3.741 7.388 1.00 0.51 C ATOM 1244 C LYS B 299 -1.430 -4.117 8.762 1.00 0.54 C ATOM 1245 O LYS B 299 -1.614 -5.238 9.230 1.00 0.65 O ATOM 1246 CB LYS B 299 -0.846 -3.872 6.341 1.00 0.52 C ATOM 1247 CG LYS B 299 -0.966 -5.123 5.477 1.00 0.89 C ATOM 1248 CD LYS B 299 0.249 -6.029 5.620 1.00 1.19 C ATOM 1249 CE LYS B 299 0.231 -6.799 6.934 1.00 1.15 C ATOM 1250 NZ LYS B 299 -0.474 -8.105 6.816 1.00 1.21 N ATOM 0 H LYS B 299 -1.955 -1.700 6.902 1.00 0.47 H new ATOM 0 HA LYS B 299 -2.759 -4.413 7.085 1.00 0.51 H new ATOM 0 HB2 LYS B 299 -0.860 -2.993 5.697 1.00 0.52 H new ATOM 0 HB3 LYS B 299 0.120 -3.881 6.847 1.00 0.52 H new ATOM 0 HG2 LYS B 299 -1.864 -5.673 5.757 1.00 0.89 H new ATOM 0 HG3 LYS B 299 -1.082 -4.833 4.433 1.00 0.89 H new ATOM 0 HD2 LYS B 299 0.278 -6.732 4.788 1.00 1.19 H new ATOM 0 HD3 LYS B 299 1.158 -5.430 5.563 1.00 1.19 H new ATOM 0 HE2 LYS B 299 1.255 -6.971 7.266 1.00 1.15 H new ATOM 0 HE3 LYS B 299 -0.255 -6.195 7.700 1.00 1.15 H new ATOM 0 HZ1 LYS B 299 -0.460 -8.591 7.735 1.00 1.21 H new ATOM 0 HZ2 LYS B 299 -1.459 -7.943 6.525 1.00 1.21 H new ATOM 0 HZ3 LYS B 299 0.004 -8.695 6.105 1.00 1.21 H new ATOM 1264 N ARG B 300 -0.774 -3.154 9.407 1.00 0.53 N ATOM 1265 CA ARG B 300 -0.256 -3.356 10.755 1.00 0.64 C ATOM 1266 C ARG B 300 -1.428 -3.530 11.720 1.00 0.65 C ATOM 1267 O ARG B 300 -1.397 -4.371 12.623 1.00 0.77 O ATOM 1268 CB ARG B 300 0.603 -2.168 11.190 1.00 0.71 C ATOM 1269 CG ARG B 300 1.263 -2.362 12.547 1.00 0.99 C ATOM 1270 CD ARG B 300 1.781 -1.050 13.109 1.00 1.31 C ATOM 1271 NE ARG B 300 2.829 -0.465 12.275 1.00 1.62 N ATOM 1272 CZ ARG B 300 3.381 0.727 12.500 1.00 1.96 C ATOM 1273 NH1 ARG B 300 2.998 1.456 13.541 1.00 2.28 N ATOM 1274 NH2 ARG B 300 4.316 1.197 11.684 1.00 2.51 N ATOM 0 H ARG B 300 -0.590 -2.229 9.018 1.00 0.53 H new ATOM 0 HA ARG B 300 0.369 -4.249 10.764 1.00 0.64 H new ATOM 0 HB2 ARG B 300 1.375 -1.994 10.441 1.00 0.71 H new ATOM 0 HB3 ARG B 300 -0.018 -1.273 11.221 1.00 0.71 H new ATOM 0 HG2 ARG B 300 0.546 -2.798 13.242 1.00 0.99 H new ATOM 0 HG3 ARG B 300 2.087 -3.069 12.454 1.00 0.99 H new ATOM 0 HD2 ARG B 300 0.955 -0.344 13.199 1.00 1.31 H new ATOM 0 HD3 ARG B 300 2.169 -1.216 14.114 1.00 1.31 H new ATOM 0 HE ARG B 300 3.158 -1.001 11.472 1.00 1.62 H new ATOM 0 HH11 ARG B 300 2.278 1.104 14.173 1.00 2.28 H new ATOM 0 HH12 ARG B 300 3.423 2.368 13.709 1.00 2.28 H new ATOM 0 HH21 ARG B 300 4.615 0.645 10.880 1.00 2.51 H new ATOM 0 HH22 ARG B 300 4.735 2.110 11.861 1.00 2.51 H new ATOM 1288 N SER B 301 -2.468 -2.731 11.504 1.00 0.57 N ATOM 1289 CA SER B 301 -3.667 -2.791 12.325 1.00 0.62 C ATOM 1290 C SER B 301 -4.397 -4.110 12.069 1.00 0.71 C ATOM 1291 O SER B 301 -4.959 -4.718 12.979 1.00 0.81 O ATOM 1292 CB SER B 301 -4.582 -1.601 12.015 1.00 0.59 C ATOM 1293 OG SER B 301 -3.852 -0.381 11.992 1.00 0.58 O ATOM 0 H SER B 301 -2.502 -2.031 10.762 1.00 0.57 H new ATOM 0 HA SER B 301 -3.386 -2.740 13.377 1.00 0.62 H new ATOM 0 HB2 SER B 301 -5.068 -1.755 11.052 1.00 0.59 H new ATOM 0 HB3 SER B 301 -5.371 -1.541 12.765 1.00 0.59 H new ATOM 0 HG SER B 301 -3.271 -0.363 11.203 1.00 0.58 H new ATOM 1299 N LYS B 302 -4.359 -4.551 10.816 1.00 0.72 N ATOM 1300 CA LYS B 302 -4.986 -5.797 10.418 1.00 0.86 C ATOM 1301 C LYS B 302 -4.219 -6.960 11.018 1.00 0.97 C ATOM 1302 O LYS B 302 -4.808 -7.972 11.380 1.00 1.11 O ATOM 1303 CB LYS B 302 -5.035 -5.927 8.893 1.00 0.89 C ATOM 1304 CG LYS B 302 -6.146 -6.844 8.402 1.00 1.18 C ATOM 1305 CD LYS B 302 -7.518 -6.203 8.563 1.00 1.42 C ATOM 1306 CE LYS B 302 -8.639 -7.220 8.405 1.00 1.92 C ATOM 1307 NZ LYS B 302 -8.653 -8.210 9.515 1.00 2.25 N ATOM 0 H LYS B 302 -3.895 -4.055 10.055 1.00 0.72 H new ATOM 0 HA LYS B 302 -6.012 -5.805 10.787 1.00 0.86 H new ATOM 0 HB2 LYS B 302 -5.170 -4.938 8.455 1.00 0.89 H new ATOM 0 HB3 LYS B 302 -4.077 -6.305 8.537 1.00 0.89 H new ATOM 0 HG2 LYS B 302 -5.979 -7.088 7.353 1.00 1.18 H new ATOM 0 HG3 LYS B 302 -6.115 -7.782 8.956 1.00 1.18 H new ATOM 0 HD2 LYS B 302 -7.588 -5.735 9.545 1.00 1.42 H new ATOM 0 HD3 LYS B 302 -7.638 -5.411 7.823 1.00 1.42 H new ATOM 0 HE2 LYS B 302 -9.597 -6.701 8.370 1.00 1.92 H new ATOM 0 HE3 LYS B 302 -8.524 -7.742 7.455 1.00 1.92 H new ATOM 0 HZ1 LYS B 302 -9.637 -8.432 9.770 1.00 2.25 H new ATOM 0 HZ2 LYS B 302 -8.170 -9.079 9.211 1.00 2.25 H new ATOM 0 HZ3 LYS B 302 -8.163 -7.812 10.341 1.00 2.25 H new ATOM 1321 N LYS B 303 -2.903 -6.806 11.121 1.00 0.94 N ATOM 1322 CA LYS B 303 -2.060 -7.834 11.715 1.00 1.09 C ATOM 1323 C LYS B 303 -2.463 -8.009 13.173 1.00 1.16 C ATOM 1324 O LYS B 303 -2.410 -9.112 13.724 1.00 1.31 O ATOM 1325 CB LYS B 303 -0.580 -7.451 11.608 1.00 1.09 C ATOM 1326 CG LYS B 303 0.313 -8.582 11.117 1.00 1.32 C ATOM 1327 CD LYS B 303 1.263 -9.065 12.201 1.00 1.45 C ATOM 1328 CE LYS B 303 2.715 -8.867 11.793 1.00 1.71 C ATOM 1329 NZ LYS B 303 3.072 -7.430 11.679 1.00 1.76 N ATOM 0 H LYS B 303 -2.399 -5.979 10.801 1.00 0.94 H new ATOM 0 HA LYS B 303 -2.196 -8.773 11.179 1.00 1.09 H new ATOM 0 HB2 LYS B 303 -0.482 -6.603 10.931 1.00 1.09 H new ATOM 0 HB3 LYS B 303 -0.228 -7.121 12.585 1.00 1.09 H new ATOM 0 HG2 LYS B 303 -0.306 -9.413 10.780 1.00 1.32 H new ATOM 0 HG3 LYS B 303 0.888 -8.243 10.255 1.00 1.32 H new ATOM 0 HD2 LYS B 303 1.066 -8.524 13.127 1.00 1.45 H new ATOM 0 HD3 LYS B 303 1.081 -10.120 12.403 1.00 1.45 H new ATOM 0 HE2 LYS B 303 3.365 -9.345 12.526 1.00 1.71 H new ATOM 0 HE3 LYS B 303 2.893 -9.361 10.838 1.00 1.71 H new ATOM 0 HZ1 LYS B 303 4.024 -7.340 11.270 1.00 1.76 H new ATOM 0 HZ2 LYS B 303 2.384 -6.949 11.064 1.00 1.76 H new ATOM 0 HZ3 LYS B 303 3.058 -6.993 12.623 1.00 1.76 H new ATOM 1343 N ASN B 304 -2.875 -6.902 13.786 1.00 1.06 N ATOM 1344 CA ASN B 304 -3.332 -6.915 15.165 1.00 1.14 C ATOM 1345 C ASN B 304 -4.696 -7.587 15.242 1.00 1.20 C ATOM 1346 O ASN B 304 -4.930 -8.449 16.090 1.00 1.34 O ATOM 1347 CB ASN B 304 -3.411 -5.491 15.723 1.00 1.05 C ATOM 1348 CG ASN B 304 -4.194 -5.417 17.024 1.00 1.19 C ATOM 1349 OD1 ASN B 304 -5.384 -5.101 17.029 1.00 1.58 O ATOM 1350 ND2 ASN B 304 -3.537 -5.716 18.131 1.00 1.62 N ATOM 0 H ASN B 304 -2.900 -5.983 13.344 1.00 1.06 H new ATOM 0 HA ASN B 304 -2.618 -7.476 15.768 1.00 1.14 H new ATOM 0 HB2 ASN B 304 -2.402 -5.113 15.888 1.00 1.05 H new ATOM 0 HB3 ASN B 304 -3.879 -4.840 14.984 1.00 1.05 H new ATOM 0 HD21 ASN B 304 -4.016 -5.690 19.031 1.00 1.62 H new ATOM 0 HD22 ASN B 304 -2.551 -5.973 18.085 1.00 1.62 H new ATOM 1357 N SER B 305 -5.595 -7.196 14.335 1.00 1.14 N ATOM 1358 CA SER B 305 -6.929 -7.778 14.291 1.00 1.25 C ATOM 1359 C SER B 305 -6.836 -9.267 13.973 1.00 1.42 C ATOM 1360 O SER B 305 -7.663 -10.062 14.417 1.00 1.57 O ATOM 1361 CB SER B 305 -7.812 -7.052 13.264 1.00 1.22 C ATOM 1362 OG SER B 305 -7.299 -7.173 11.943 1.00 1.68 O ATOM 0 H SER B 305 -5.420 -6.483 13.627 1.00 1.14 H new ATOM 0 HA SER B 305 -7.394 -7.658 15.269 1.00 1.25 H new ATOM 0 HB2 SER B 305 -8.822 -7.461 13.300 1.00 1.22 H new ATOM 0 HB3 SER B 305 -7.885 -5.997 13.530 1.00 1.22 H new ATOM 0 HG SER B 305 -6.424 -7.613 11.971 1.00 1.68 H new TER 1368 SER B 305 HETATM 1369 CA CA A1000 -0.927 -5.901 -9.892 1.00 0.75 CA HETATM 1370 CA CA A1001 5.927 4.457 -11.712 1.00 0.66 CA