USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 553 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 Single : A 74 ASN : amide:sc= -0.0706 X(o=-0.071,f=-0.51) USER MOD Single : A 76 ASN : amide:sc= -2.54 K(o=-2.5,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0.783 (180deg=0.783) USER MOD Single : A 82 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.018) USER MOD Single : A 87 THR OG1 : rot 170:sc= 0.298 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.798 F(o=-2!,f=-0.8) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= -0.139 (180deg=-0.965) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= -0.623 USER MOD Single : A 115 TYR OH : rot 180:sc= -0.181 USER MOD Single : A 117 GLN :FLIP amide:sc= -0.127 F(o=-1,f=-0.13) USER MOD Single : A 118 CYS SG : rot -141:sc= -1.09 USER MOD Single : A 122 LYS NZ :NH3+ 141:sc= 0.0364 (180deg=0.00551) USER MOD Single : A 126 THR OG1 : rot -150:sc= -0.112 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot -49:sc= -0.656 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 915 N PHE A 65 10.969 -4.717 3.355 1.00 0.00 N ATOM 916 CA PHE A 65 10.129 -3.629 3.842 1.00 0.00 C ATOM 917 C PHE A 65 9.293 -4.077 5.036 1.00 0.00 C ATOM 918 O PHE A 65 8.592 -5.087 4.972 1.00 0.00 O ATOM 919 CB PHE A 65 9.213 -3.125 2.724 1.00 0.00 C ATOM 920 CG PHE A 65 9.940 -2.383 1.641 1.00 0.00 C ATOM 921 CD1 PHE A 65 10.408 -1.097 1.859 1.00 0.00 C ATOM 922 CD2 PHE A 65 10.156 -2.970 0.404 1.00 0.00 C ATOM 923 CE1 PHE A 65 11.078 -0.410 0.863 1.00 0.00 C ATOM 924 CE2 PHE A 65 10.825 -2.288 -0.595 1.00 0.00 C ATOM 925 CZ PHE A 65 11.287 -1.007 -0.365 1.00 0.00 C ATOM 0 HA PHE A 65 10.781 -2.817 4.164 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.690 -3.974 2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.454 -2.472 3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.248 -0.626 2.818 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.797 -3.972 0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.437 0.592 1.045 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.986 -2.757 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.811 -0.473 -1.144 1.00 0.00 H new ATOM 935 N ARG A 66 9.372 -3.320 6.125 1.00 0.00 N ATOM 936 CA ARG A 66 8.622 -3.640 7.335 1.00 0.00 C ATOM 937 C ARG A 66 7.416 -2.719 7.486 1.00 0.00 C ATOM 938 O ARG A 66 7.447 -1.563 7.062 1.00 0.00 O ATOM 939 CB ARG A 66 9.526 -3.525 8.566 1.00 0.00 C ATOM 940 CG ARG A 66 9.521 -4.770 9.442 1.00 0.00 C ATOM 941 CD ARG A 66 9.076 -4.455 10.862 1.00 0.00 C ATOM 942 NE ARG A 66 7.688 -4.846 11.101 1.00 0.00 N ATOM 943 CZ ARG A 66 7.163 -5.014 12.313 1.00 0.00 C ATOM 944 NH1 ARG A 66 7.904 -4.826 13.397 1.00 0.00 N ATOM 945 NH2 ARG A 66 5.891 -5.370 12.440 1.00 0.00 N ATOM 0 H ARG A 66 9.947 -2.481 6.195 1.00 0.00 H new ATOM 0 HA ARG A 66 8.264 -4.666 7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.546 -3.324 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.208 -2.670 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.856 -5.517 9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.520 -5.206 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.725 -4.973 11.568 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.189 -3.387 11.049 1.00 0.00 H new ATOM 0 HE ARG A 66 7.086 -4.999 10.292 1.00 0.00 H new ATOM 0 HH11 ARG A 66 8.882 -4.551 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.496 -4.956 14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.317 -5.515 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.488 -5.499 13.368 1.00 0.00 H new ATOM 959 N VAL A 67 6.353 -3.238 8.093 1.00 0.00 N ATOM 960 CA VAL A 67 5.136 -2.461 8.299 1.00 0.00 C ATOM 961 C VAL A 67 5.377 -1.312 9.273 1.00 0.00 C ATOM 962 O VAL A 67 5.561 -1.529 10.471 1.00 0.00 O ATOM 963 CB VAL A 67 3.993 -3.341 8.835 1.00 0.00 C ATOM 964 CG1 VAL A 67 2.685 -2.564 8.862 1.00 0.00 C ATOM 965 CG2 VAL A 67 3.853 -4.603 7.996 1.00 0.00 C ATOM 0 H VAL A 67 6.310 -4.192 8.450 1.00 0.00 H new ATOM 0 HA VAL A 67 4.849 -2.057 7.328 1.00 0.00 H new ATOM 0 HB VAL A 67 4.235 -3.634 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.890 -3.204 9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.792 -1.693 9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.435 -2.238 7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.040 -5.213 8.390 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.635 -4.331 6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.783 -5.170 8.034 1.00 0.00 H new ATOM 975 N GLY A 68 5.374 -0.090 8.751 1.00 0.00 N ATOM 976 CA GLY A 68 5.593 1.076 9.586 1.00 0.00 C ATOM 977 C GLY A 68 6.787 1.894 9.136 1.00 0.00 C ATOM 978 O GLY A 68 7.563 2.378 9.960 1.00 0.00 O ATOM 0 H GLY A 68 5.224 0.114 7.763 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.701 1.702 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.742 0.758 10.618 1.00 0.00 H new ATOM 982 N GLU A 69 6.935 2.047 7.824 1.00 0.00 N ATOM 983 CA GLU A 69 8.043 2.811 7.264 1.00 0.00 C ATOM 984 C GLU A 69 7.551 3.766 6.181 1.00 0.00 C ATOM 985 O GLU A 69 6.448 3.611 5.658 1.00 0.00 O ATOM 986 CB GLU A 69 9.099 1.867 6.686 1.00 0.00 C ATOM 987 CG GLU A 69 9.642 0.870 7.699 1.00 0.00 C ATOM 988 CD GLU A 69 11.037 1.227 8.176 1.00 0.00 C ATOM 989 OE1 GLU A 69 11.795 1.834 7.392 1.00 0.00 O ATOM 990 OE2 GLU A 69 11.370 0.897 9.334 1.00 0.00 O ATOM 0 H GLU A 69 6.301 1.652 7.129 1.00 0.00 H new ATOM 0 HA GLU A 69 8.490 3.398 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.667 1.322 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.925 2.458 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.969 0.824 8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.658 -0.124 7.253 1.00 0.00 H new ATOM 997 N ARG A 70 8.377 4.754 5.851 1.00 0.00 N ATOM 998 CA ARG A 70 8.025 5.734 4.830 1.00 0.00 C ATOM 999 C ARG A 70 8.585 5.329 3.470 1.00 0.00 C ATOM 1000 O ARG A 70 9.791 5.133 3.318 1.00 0.00 O ATOM 1001 CB ARG A 70 8.549 7.118 5.221 1.00 0.00 C ATOM 1002 CG ARG A 70 7.581 8.246 4.906 1.00 0.00 C ATOM 1003 CD ARG A 70 6.359 8.201 5.810 1.00 0.00 C ATOM 1004 NE ARG A 70 5.764 9.522 5.995 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.244 10.441 6.830 1.00 0.00 C ATOM 1006 NH1 ARG A 70 7.323 10.187 7.559 1.00 0.00 N ATOM 1007 NH2 ARG A 70 5.641 11.618 6.936 1.00 0.00 N ATOM 0 H ARG A 70 9.293 4.897 6.275 1.00 0.00 H new ATOM 0 HA ARG A 70 6.938 5.772 4.757 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.768 7.126 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.489 7.302 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.087 9.204 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.267 8.177 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.617 7.526 5.383 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.641 7.792 6.780 1.00 0.00 H new ATOM 0 HE ARG A 70 4.932 9.754 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.790 9.283 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.686 10.895 8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.811 11.818 6.378 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.008 12.323 7.575 1.00 0.00 H new ATOM 1021 N VAL A 71 7.702 5.204 2.485 1.00 0.00 N ATOM 1022 CA VAL A 71 8.109 4.823 1.138 1.00 0.00 C ATOM 1023 C VAL A 71 7.334 5.607 0.086 1.00 0.00 C ATOM 1024 O VAL A 71 6.232 6.092 0.345 1.00 0.00 O ATOM 1025 CB VAL A 71 7.903 3.317 0.894 1.00 0.00 C ATOM 1026 CG1 VAL A 71 8.895 2.502 1.709 1.00 0.00 C ATOM 1027 CG2 VAL A 71 6.474 2.914 1.223 1.00 0.00 C ATOM 0 H VAL A 71 6.700 5.361 2.594 1.00 0.00 H new ATOM 0 HA VAL A 71 9.170 5.056 1.051 1.00 0.00 H new ATOM 0 HB VAL A 71 8.081 3.112 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.733 1.440 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.911 2.771 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.753 2.710 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.347 1.846 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.266 3.134 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.784 3.472 0.591 1.00 0.00 H new ATOM 1037 N TRP A 72 7.916 5.729 -1.103 1.00 0.00 N ATOM 1038 CA TRP A 72 7.280 6.456 -2.195 1.00 0.00 C ATOM 1039 C TRP A 72 6.773 5.497 -3.267 1.00 0.00 C ATOM 1040 O TRP A 72 7.558 4.815 -3.926 1.00 0.00 O ATOM 1041 CB TRP A 72 8.264 7.451 -2.812 1.00 0.00 C ATOM 1042 CG TRP A 72 8.245 8.794 -2.149 1.00 0.00 C ATOM 1043 CD1 TRP A 72 7.782 9.964 -2.680 1.00 0.00 C ATOM 1044 CD2 TRP A 72 8.710 9.106 -0.832 1.00 0.00 C ATOM 1045 NE1 TRP A 72 7.932 10.984 -1.772 1.00 0.00 N ATOM 1046 CE2 TRP A 72 8.499 10.482 -0.630 1.00 0.00 C ATOM 1047 CE3 TRP A 72 9.283 8.354 0.197 1.00 0.00 C ATOM 1048 CZ2 TRP A 72 8.841 11.122 0.559 1.00 0.00 C ATOM 1049 CZ3 TRP A 72 9.623 8.990 1.377 1.00 0.00 C ATOM 1050 CH2 TRP A 72 9.401 10.362 1.549 1.00 0.00 C ATOM 0 H TRP A 72 8.827 5.333 -1.334 1.00 0.00 H new ATOM 0 HA TRP A 72 6.428 7.000 -1.787 1.00 0.00 H new ATOM 0 HB2 TRP A 72 9.271 7.039 -2.753 1.00 0.00 H new ATOM 0 HB3 TRP A 72 8.031 7.573 -3.870 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.360 10.072 -3.668 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.665 11.957 -1.923 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.457 7.295 0.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 8.670 12.180 0.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.067 8.419 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 72 9.678 10.830 2.482 1.00 0.00 H new ATOM 1061 N VAL A 73 5.457 5.452 -3.441 1.00 0.00 N ATOM 1062 CA VAL A 73 4.847 4.579 -4.436 1.00 0.00 C ATOM 1063 C VAL A 73 5.078 5.116 -5.844 1.00 0.00 C ATOM 1064 O VAL A 73 4.808 6.283 -6.126 1.00 0.00 O ATOM 1065 CB VAL A 73 3.334 4.424 -4.199 1.00 0.00 C ATOM 1066 CG1 VAL A 73 2.754 3.360 -5.119 1.00 0.00 C ATOM 1067 CG2 VAL A 73 3.052 4.090 -2.742 1.00 0.00 C ATOM 0 H VAL A 73 4.792 6.010 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 73 5.321 3.603 -4.336 1.00 0.00 H new ATOM 0 HB VAL A 73 2.851 5.373 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.684 3.265 -4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.921 3.647 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.241 2.405 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.977 3.984 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.548 3.155 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.429 4.891 -2.106 1.00 0.00 H new ATOM 1077 N ASN A 74 5.580 4.259 -6.726 1.00 0.00 N ATOM 1078 CA ASN A 74 5.848 4.651 -8.104 1.00 0.00 C ATOM 1079 C ASN A 74 6.845 5.808 -8.159 1.00 0.00 C ATOM 1080 O ASN A 74 6.893 6.551 -9.139 1.00 0.00 O ATOM 1081 CB ASN A 74 4.546 5.047 -8.805 1.00 0.00 C ATOM 1082 CG ASN A 74 4.154 4.067 -9.893 1.00 0.00 C ATOM 1083 OD1 ASN A 74 3.551 3.029 -9.623 1.00 0.00 O ATOM 1084 ND2 ASN A 74 4.494 4.395 -11.135 1.00 0.00 N ATOM 0 H ASN A 74 5.809 3.289 -6.511 1.00 0.00 H new ATOM 0 HA ASN A 74 6.285 3.797 -8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.744 5.108 -8.069 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.658 6.041 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.255 3.776 -11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.994 5.266 -11.314 1.00 0.00 H new ATOM 1091 N GLY A 75 7.640 5.952 -7.103 1.00 0.00 N ATOM 1092 CA GLY A 75 8.624 7.018 -7.054 1.00 0.00 C ATOM 1093 C GLY A 75 7.993 8.397 -7.046 1.00 0.00 C ATOM 1094 O GLY A 75 8.559 9.348 -7.585 1.00 0.00 O ATOM 0 H GLY A 75 7.620 5.349 -6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.238 6.899 -6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.289 6.932 -7.913 1.00 0.00 H new ATOM 1098 N ASN A 76 6.818 8.508 -6.433 1.00 0.00 N ATOM 1099 CA ASN A 76 6.114 9.785 -6.358 1.00 0.00 C ATOM 1100 C ASN A 76 4.818 9.651 -5.562 1.00 0.00 C ATOM 1101 O ASN A 76 3.749 10.051 -6.024 1.00 0.00 O ATOM 1102 CB ASN A 76 5.812 10.309 -7.764 1.00 0.00 C ATOM 1103 CG ASN A 76 4.925 9.367 -8.555 1.00 0.00 C ATOM 1104 OD1 ASN A 76 5.090 8.147 -8.499 1.00 0.00 O ATOM 1105 ND2 ASN A 76 3.979 9.928 -9.298 1.00 0.00 N ATOM 0 H ASN A 76 6.334 7.732 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 76 6.761 10.496 -5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.328 11.283 -7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.748 10.459 -8.302 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.353 9.344 -9.852 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.878 10.943 -9.314 1.00 0.00 H new ATOM 1112 N LYS A 77 4.920 9.089 -4.362 1.00 0.00 N ATOM 1113 CA LYS A 77 3.754 8.906 -3.503 1.00 0.00 C ATOM 1114 C LYS A 77 4.166 8.396 -2.123 1.00 0.00 C ATOM 1115 O LYS A 77 4.200 7.188 -1.885 1.00 0.00 O ATOM 1116 CB LYS A 77 2.766 7.931 -4.147 1.00 0.00 C ATOM 1117 CG LYS A 77 1.672 8.618 -4.949 1.00 0.00 C ATOM 1118 CD LYS A 77 0.313 7.973 -4.711 1.00 0.00 C ATOM 1119 CE LYS A 77 -0.318 7.504 -6.012 1.00 0.00 C ATOM 1120 NZ LYS A 77 -1.740 7.103 -5.829 1.00 0.00 N ATOM 0 H LYS A 77 5.796 8.753 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 77 3.270 9.875 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.312 7.251 -4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.307 7.323 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.628 9.672 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.916 8.573 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.425 7.126 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.349 8.687 -4.221 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.259 8.302 -6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.249 6.661 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.132 6.790 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.795 6.324 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.287 7.914 -5.477 1.00 0.00 H new ATOM 1134 N PRO A 78 4.480 9.313 -1.193 1.00 0.00 N ATOM 1135 CA PRO A 78 4.887 8.947 0.168 1.00 0.00 C ATOM 1136 C PRO A 78 3.741 8.336 0.968 1.00 0.00 C ATOM 1137 O PRO A 78 2.570 8.558 0.660 1.00 0.00 O ATOM 1138 CB PRO A 78 5.318 10.281 0.785 1.00 0.00 C ATOM 1139 CG PRO A 78 4.584 11.316 0.005 1.00 0.00 C ATOM 1140 CD PRO A 78 4.463 10.774 -1.392 1.00 0.00 C ATOM 0 HA PRO A 78 5.672 8.191 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.062 10.328 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 78 6.396 10.421 0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.601 11.505 0.436 1.00 0.00 H new ATOM 0 HG3 PRO A 78 5.123 12.264 0.011 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.542 11.104 -1.873 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.288 11.103 -2.024 1.00 0.00 H new ATOM 1148 N GLY A 79 4.086 7.565 1.994 1.00 0.00 N ATOM 1149 CA GLY A 79 3.072 6.935 2.819 1.00 0.00 C ATOM 1150 C GLY A 79 3.662 5.978 3.837 1.00 0.00 C ATOM 1151 O GLY A 79 4.878 5.802 3.902 1.00 0.00 O ATOM 0 H GLY A 79 5.048 7.365 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.501 7.705 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.373 6.395 2.180 1.00 0.00 H new ATOM 1155 N PHE A 80 2.796 5.360 4.634 1.00 0.00 N ATOM 1156 CA PHE A 80 3.235 4.415 5.654 1.00 0.00 C ATOM 1157 C PHE A 80 2.718 3.012 5.355 1.00 0.00 C ATOM 1158 O PHE A 80 1.530 2.819 5.098 1.00 0.00 O ATOM 1159 CB PHE A 80 2.754 4.863 7.035 1.00 0.00 C ATOM 1160 CG PHE A 80 3.590 5.957 7.637 1.00 0.00 C ATOM 1161 CD1 PHE A 80 4.828 5.674 8.191 1.00 0.00 C ATOM 1162 CD2 PHE A 80 3.137 7.267 7.648 1.00 0.00 C ATOM 1163 CE1 PHE A 80 5.599 6.678 8.746 1.00 0.00 C ATOM 1164 CE2 PHE A 80 3.905 8.274 8.201 1.00 0.00 C ATOM 1165 CZ PHE A 80 5.137 7.980 8.751 1.00 0.00 C ATOM 0 H PHE A 80 1.786 5.497 4.593 1.00 0.00 H new ATOM 0 HA PHE A 80 4.325 4.391 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.722 5.206 6.958 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.755 4.005 7.707 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.194 4.658 8.189 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.174 7.503 7.220 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.562 6.445 9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.542 9.291 8.203 1.00 0.00 H new ATOM 0 HZ PHE A 80 5.738 8.766 9.184 1.00 0.00 H new ATOM 1175 N ILE A 81 3.620 2.035 5.388 1.00 0.00 N ATOM 1176 CA ILE A 81 3.255 0.650 5.121 1.00 0.00 C ATOM 1177 C ILE A 81 2.469 0.054 6.283 1.00 0.00 C ATOM 1178 O ILE A 81 2.939 0.041 7.422 1.00 0.00 O ATOM 1179 CB ILE A 81 4.501 -0.219 4.857 1.00 0.00 C ATOM 1180 CG1 ILE A 81 5.394 0.439 3.803 1.00 0.00 C ATOM 1181 CG2 ILE A 81 4.091 -1.615 4.415 1.00 0.00 C ATOM 1182 CD1 ILE A 81 6.829 -0.035 3.846 1.00 0.00 C ATOM 0 H ILE A 81 4.608 2.178 5.597 1.00 0.00 H new ATOM 0 HA ILE A 81 2.629 0.655 4.229 1.00 0.00 H new ATOM 0 HB ILE A 81 5.068 -0.306 5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.983 0.238 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.372 1.520 3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.982 -2.215 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.492 -2.083 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.505 -1.549 3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.403 0.473 3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.258 0.190 4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.862 -1.111 3.675 1.00 0.00 H new ATOM 1194 N GLN A 82 1.270 -0.439 5.990 1.00 0.00 N ATOM 1195 CA GLN A 82 0.418 -1.037 7.011 1.00 0.00 C ATOM 1196 C GLN A 82 0.248 -2.533 6.767 1.00 0.00 C ATOM 1197 O GLN A 82 0.197 -3.324 7.710 1.00 0.00 O ATOM 1198 CB GLN A 82 -0.950 -0.353 7.028 1.00 0.00 C ATOM 1199 CG GLN A 82 -0.874 1.154 7.204 1.00 0.00 C ATOM 1200 CD GLN A 82 -0.570 1.559 8.632 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -1.449 2.023 9.359 1.00 0.00 O ATOM 1202 NE2 GLN A 82 0.680 1.387 9.043 1.00 0.00 N ATOM 0 H GLN A 82 0.866 -0.436 5.053 1.00 0.00 H new ATOM 0 HA GLN A 82 0.899 -0.896 7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -1.470 -0.576 6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.548 -0.775 7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.104 1.555 6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.820 1.600 6.897 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.377 0.999 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.944 1.643 9.995 1.00 0.00 H new ATOM 1211 N PHE A 83 0.160 -2.913 5.498 1.00 0.00 N ATOM 1212 CA PHE A 83 -0.005 -4.315 5.128 1.00 0.00 C ATOM 1213 C PHE A 83 1.177 -4.800 4.296 1.00 0.00 C ATOM 1214 O PHE A 83 1.672 -4.085 3.425 1.00 0.00 O ATOM 1215 CB PHE A 83 -1.306 -4.508 4.347 1.00 0.00 C ATOM 1216 CG PHE A 83 -1.760 -5.938 4.284 1.00 0.00 C ATOM 1217 CD1 PHE A 83 -2.002 -6.655 5.445 1.00 0.00 C ATOM 1218 CD2 PHE A 83 -1.945 -6.567 3.062 1.00 0.00 C ATOM 1219 CE1 PHE A 83 -2.420 -7.970 5.390 1.00 0.00 C ATOM 1220 CE2 PHE A 83 -2.363 -7.882 3.001 1.00 0.00 C ATOM 1221 CZ PHE A 83 -2.601 -8.585 4.166 1.00 0.00 C ATOM 0 H PHE A 83 0.200 -2.270 4.707 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.048 -4.904 6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.090 -3.906 4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.171 -4.133 3.333 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.862 -6.180 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.760 -6.023 2.148 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.605 -8.517 6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.504 -8.360 2.043 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.928 -9.613 4.120 1.00 0.00 H new ATOM 1231 N LEU A 84 1.626 -6.022 4.571 1.00 0.00 N ATOM 1232 CA LEU A 84 2.751 -6.603 3.847 1.00 0.00 C ATOM 1233 C LEU A 84 2.622 -8.120 3.768 1.00 0.00 C ATOM 1234 O LEU A 84 2.780 -8.819 4.770 1.00 0.00 O ATOM 1235 CB LEU A 84 4.070 -6.225 4.526 1.00 0.00 C ATOM 1236 CG LEU A 84 4.680 -4.900 4.065 1.00 0.00 C ATOM 1237 CD1 LEU A 84 5.734 -4.425 5.053 1.00 0.00 C ATOM 1238 CD2 LEU A 84 5.276 -5.045 2.673 1.00 0.00 C ATOM 0 H LEU A 84 1.228 -6.627 5.289 1.00 0.00 H new ATOM 0 HA LEU A 84 2.745 -6.204 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.906 -6.177 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.793 -7.021 4.349 1.00 0.00 H new ATOM 0 HG LEU A 84 3.889 -4.151 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.157 -3.481 4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.277 -4.282 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.525 -5.171 5.128 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.706 -4.093 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.055 -5.807 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.495 -5.338 1.972 1.00 0.00 H new ATOM 1250 N GLY A 85 2.335 -8.623 2.572 1.00 0.00 N ATOM 1251 CA GLY A 85 2.190 -10.056 2.386 1.00 0.00 C ATOM 1252 C GLY A 85 1.148 -10.403 1.340 1.00 0.00 C ATOM 1253 O GLY A 85 0.836 -9.588 0.471 1.00 0.00 O ATOM 0 H GLY A 85 2.200 -8.065 1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.150 -10.480 2.092 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.915 -10.516 3.335 1.00 0.00 H new ATOM 1257 N GLU A 86 0.609 -11.614 1.424 1.00 0.00 N ATOM 1258 CA GLU A 86 -0.404 -12.068 0.478 1.00 0.00 C ATOM 1259 C GLU A 86 -1.751 -11.416 0.771 1.00 0.00 C ATOM 1260 O GLU A 86 -1.889 -10.655 1.728 1.00 0.00 O ATOM 1261 CB GLU A 86 -0.538 -13.590 0.534 1.00 0.00 C ATOM 1262 CG GLU A 86 0.542 -14.326 -0.245 1.00 0.00 C ATOM 1263 CD GLU A 86 0.314 -15.824 -0.284 1.00 0.00 C ATOM 1264 OE1 GLU A 86 0.482 -16.478 0.767 1.00 0.00 O ATOM 1265 OE2 GLU A 86 -0.033 -16.344 -1.365 1.00 0.00 O ATOM 0 H GLU A 86 0.857 -12.299 2.138 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.089 -11.775 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.506 -13.911 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.515 -13.875 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.576 -13.941 -1.264 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.513 -14.122 0.206 1.00 0.00 H new ATOM 1272 N THR A 87 -2.743 -11.719 -0.060 1.00 0.00 N ATOM 1273 CA THR A 87 -4.080 -11.163 0.110 1.00 0.00 C ATOM 1274 C THR A 87 -5.148 -12.216 -0.166 1.00 0.00 C ATOM 1275 O THR A 87 -4.834 -13.368 -0.469 1.00 0.00 O ATOM 1276 CB THR A 87 -4.278 -9.964 -0.818 1.00 0.00 C ATOM 1277 OG1 THR A 87 -4.018 -10.322 -2.163 1.00 0.00 O ATOM 1278 CG2 THR A 87 -3.387 -8.789 -0.476 1.00 0.00 C ATOM 0 H THR A 87 -2.646 -12.347 -0.858 1.00 0.00 H new ATOM 0 HA THR A 87 -4.180 -10.834 1.144 1.00 0.00 H new ATOM 0 HB THR A 87 -5.317 -9.664 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.303 -9.596 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.578 -7.973 -1.173 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.598 -8.456 0.540 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.342 -9.091 -0.549 1.00 0.00 H new ATOM 1286 N GLN A 88 -6.410 -11.814 -0.059 1.00 0.00 N ATOM 1287 CA GLN A 88 -7.524 -12.726 -0.297 1.00 0.00 C ATOM 1288 C GLN A 88 -8.256 -12.383 -1.595 1.00 0.00 C ATOM 1289 O GLN A 88 -9.343 -12.898 -1.856 1.00 0.00 O ATOM 1290 CB GLN A 88 -8.505 -12.678 0.876 1.00 0.00 C ATOM 1291 CG GLN A 88 -8.171 -13.661 1.987 1.00 0.00 C ATOM 1292 CD GLN A 88 -8.271 -13.040 3.366 1.00 0.00 C ATOM 1293 OE1 GLN A 88 -7.649 -11.879 3.539 1.00 0.00 O flip ATOM 1294 NE2 GLN A 88 -8.902 -13.596 4.266 1.00 0.00 N flip ATOM 0 H GLN A 88 -6.687 -10.865 0.190 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.116 -13.733 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.519 -11.668 1.287 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.510 -12.886 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.847 -14.514 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.161 -14.043 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.365 -14.488 4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.962 -13.165 5.188 1.00 0.00 H new ATOM 1303 N PHE A 89 -7.655 -11.516 -2.407 1.00 0.00 N ATOM 1304 CA PHE A 89 -8.256 -11.114 -3.674 1.00 0.00 C ATOM 1305 C PHE A 89 -7.360 -11.502 -4.846 1.00 0.00 C ATOM 1306 O PHE A 89 -7.845 -11.899 -5.906 1.00 0.00 O ATOM 1307 CB PHE A 89 -8.510 -9.606 -3.686 1.00 0.00 C ATOM 1308 CG PHE A 89 -7.257 -8.785 -3.577 1.00 0.00 C ATOM 1309 CD1 PHE A 89 -6.547 -8.428 -4.713 1.00 0.00 C ATOM 1310 CD2 PHE A 89 -6.789 -8.370 -2.341 1.00 0.00 C ATOM 1311 CE1 PHE A 89 -5.394 -7.671 -4.617 1.00 0.00 C ATOM 1312 CE2 PHE A 89 -5.638 -7.613 -2.238 1.00 0.00 C ATOM 1313 CZ PHE A 89 -4.939 -7.264 -3.378 1.00 0.00 C ATOM 0 H PHE A 89 -6.754 -11.080 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 89 -9.208 -11.635 -3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.029 -9.341 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.174 -9.351 -2.860 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.898 -8.745 -5.684 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.331 -8.642 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.850 -7.398 -5.509 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.285 -7.294 -1.268 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.038 -6.674 -3.300 1.00 0.00 H new ATOM 1323 N ALA A 90 -6.052 -11.382 -4.650 1.00 0.00 N ATOM 1324 CA ALA A 90 -5.088 -11.721 -5.690 1.00 0.00 C ATOM 1325 C ALA A 90 -3.863 -12.416 -5.097 1.00 0.00 C ATOM 1326 O ALA A 90 -3.246 -11.905 -4.162 1.00 0.00 O ATOM 1327 CB ALA A 90 -4.671 -10.469 -6.448 1.00 0.00 C ATOM 0 H ALA A 90 -5.634 -11.052 -3.780 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.565 -12.412 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.951 -10.735 -7.222 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.548 -10.014 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.215 -9.760 -5.757 1.00 0.00 H new ATOM 1333 N PRO A 91 -3.492 -13.595 -5.631 1.00 0.00 N ATOM 1334 CA PRO A 91 -2.334 -14.348 -5.141 1.00 0.00 C ATOM 1335 C PRO A 91 -1.011 -13.698 -5.531 1.00 0.00 C ATOM 1336 O PRO A 91 -0.810 -13.322 -6.686 1.00 0.00 O ATOM 1337 CB PRO A 91 -2.482 -15.708 -5.826 1.00 0.00 C ATOM 1338 CG PRO A 91 -3.236 -15.419 -7.077 1.00 0.00 C ATOM 1339 CD PRO A 91 -4.167 -14.283 -6.748 1.00 0.00 C ATOM 0 HA PRO A 91 -2.314 -14.402 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.510 -16.151 -6.043 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.020 -16.414 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.559 -15.146 -7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.792 -16.296 -7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.308 -13.620 -7.601 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.154 -14.644 -6.459 1.00 0.00 H new ATOM 1347 N GLY A 92 -0.113 -13.568 -4.561 1.00 0.00 N ATOM 1348 CA GLY A 92 1.179 -12.962 -4.824 1.00 0.00 C ATOM 1349 C GLY A 92 1.713 -12.196 -3.629 1.00 0.00 C ATOM 1350 O GLY A 92 1.975 -12.779 -2.576 1.00 0.00 O ATOM 0 H GLY A 92 -0.256 -13.871 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.892 -13.739 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 92 1.094 -12.287 -5.676 1.00 0.00 H new ATOM 1354 N GLN A 93 1.878 -10.887 -3.792 1.00 0.00 N ATOM 1355 CA GLN A 93 2.385 -10.042 -2.718 1.00 0.00 C ATOM 1356 C GLN A 93 1.942 -8.595 -2.908 1.00 0.00 C ATOM 1357 O GLN A 93 2.163 -8.000 -3.963 1.00 0.00 O ATOM 1358 CB GLN A 93 3.913 -10.116 -2.661 1.00 0.00 C ATOM 1359 CG GLN A 93 4.434 -11.229 -1.767 1.00 0.00 C ATOM 1360 CD GLN A 93 5.527 -10.760 -0.828 1.00 0.00 C ATOM 1361 OE1 GLN A 93 6.487 -10.114 -1.246 1.00 0.00 O ATOM 1362 NE2 GLN A 93 5.387 -11.084 0.453 1.00 0.00 N ATOM 0 H GLN A 93 1.668 -10.389 -4.657 1.00 0.00 H new ATOM 0 HA GLN A 93 1.974 -10.408 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.300 -10.260 -3.670 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.302 -9.162 -2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.609 -11.637 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.816 -12.039 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.575 -11.621 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.091 -10.796 1.132 1.00 0.00 H new ATOM 1371 N TRP A 94 1.318 -8.034 -1.878 1.00 0.00 N ATOM 1372 CA TRP A 94 0.845 -6.655 -1.928 1.00 0.00 C ATOM 1373 C TRP A 94 1.192 -5.915 -0.640 1.00 0.00 C ATOM 1374 O TRP A 94 0.942 -6.412 0.459 1.00 0.00 O ATOM 1375 CB TRP A 94 -0.667 -6.619 -2.158 1.00 0.00 C ATOM 1376 CG TRP A 94 -1.089 -7.260 -3.444 1.00 0.00 C ATOM 1377 CD1 TRP A 94 -1.298 -8.591 -3.667 1.00 0.00 C ATOM 1378 CD2 TRP A 94 -1.353 -6.599 -4.687 1.00 0.00 C ATOM 1379 NE1 TRP A 94 -1.676 -8.797 -4.972 1.00 0.00 N ATOM 1380 CE2 TRP A 94 -1.717 -7.590 -5.618 1.00 0.00 C ATOM 1381 CE3 TRP A 94 -1.317 -5.264 -5.103 1.00 0.00 C ATOM 1382 CZ2 TRP A 94 -2.043 -7.288 -6.939 1.00 0.00 C ATOM 1383 CZ3 TRP A 94 -1.640 -4.966 -6.413 1.00 0.00 C ATOM 1384 CH2 TRP A 94 -2.000 -5.973 -7.317 1.00 0.00 C ATOM 0 H TRP A 94 1.128 -8.513 -0.998 1.00 0.00 H new ATOM 0 HA TRP A 94 1.343 -6.156 -2.759 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.165 -7.122 -1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -1.004 -5.582 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -1.183 -9.368 -2.926 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.891 -9.702 -5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.042 -4.480 -4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.319 -8.063 -7.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -1.614 -3.939 -6.745 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.249 -5.707 -8.334 1.00 0.00 H new ATOM 1395 N ALA A 95 1.769 -4.726 -0.783 1.00 0.00 N ATOM 1396 CA ALA A 95 2.150 -3.920 0.370 1.00 0.00 C ATOM 1397 C ALA A 95 1.257 -2.691 0.499 1.00 0.00 C ATOM 1398 O ALA A 95 1.377 -1.740 -0.273 1.00 0.00 O ATOM 1399 CB ALA A 95 3.610 -3.505 0.263 1.00 0.00 C ATOM 0 H ALA A 95 1.982 -4.300 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 95 2.020 -4.527 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.882 -2.903 1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.239 -4.394 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.756 -2.920 -0.645 1.00 0.00 H new ATOM 1405 N GLY A 96 0.359 -2.718 1.479 1.00 0.00 N ATOM 1406 CA GLY A 96 -0.542 -1.601 1.690 1.00 0.00 C ATOM 1407 C GLY A 96 0.160 -0.393 2.281 1.00 0.00 C ATOM 1408 O GLY A 96 0.995 -0.528 3.176 1.00 0.00 O ATOM 0 H GLY A 96 0.240 -3.494 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.000 -1.323 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.349 -1.910 2.355 1.00 0.00 H new ATOM 1412 N ILE A 97 -0.179 0.790 1.780 1.00 0.00 N ATOM 1413 CA ILE A 97 0.425 2.026 2.264 1.00 0.00 C ATOM 1414 C ILE A 97 -0.632 3.101 2.494 1.00 0.00 C ATOM 1415 O ILE A 97 -1.686 3.094 1.858 1.00 0.00 O ATOM 1416 CB ILE A 97 1.480 2.561 1.277 1.00 0.00 C ATOM 1417 CG1 ILE A 97 2.448 1.447 0.877 1.00 0.00 C ATOM 1418 CG2 ILE A 97 2.234 3.730 1.892 1.00 0.00 C ATOM 1419 CD1 ILE A 97 3.203 1.733 -0.403 1.00 0.00 C ATOM 0 H ILE A 97 -0.868 0.919 1.039 1.00 0.00 H new ATOM 0 HA ILE A 97 0.912 1.790 3.210 1.00 0.00 H new ATOM 0 HB ILE A 97 0.971 2.913 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.164 1.291 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.891 0.517 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.976 4.098 1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.533 4.530 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.734 3.402 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.871 0.901 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.495 1.859 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.788 2.645 -0.285 1.00 0.00 H new ATOM 1431 N VAL A 98 -0.341 4.023 3.405 1.00 0.00 N ATOM 1432 CA VAL A 98 -1.266 5.106 3.719 1.00 0.00 C ATOM 1433 C VAL A 98 -0.715 6.450 3.255 1.00 0.00 C ATOM 1434 O VAL A 98 0.231 6.979 3.838 1.00 0.00 O ATOM 1435 CB VAL A 98 -1.556 5.177 5.231 1.00 0.00 C ATOM 1436 CG1 VAL A 98 -2.663 6.180 5.517 1.00 0.00 C ATOM 1437 CG2 VAL A 98 -1.918 3.800 5.772 1.00 0.00 C ATOM 0 H VAL A 98 0.528 4.042 3.939 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.194 4.893 3.189 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.653 5.515 5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.853 6.216 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.358 7.167 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.572 5.877 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.119 3.870 6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.806 3.429 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.088 3.113 5.603 1.00 0.00 H new ATOM 1447 N LEU A 99 -1.316 6.999 2.204 1.00 0.00 N ATOM 1448 CA LEU A 99 -0.886 8.282 1.663 1.00 0.00 C ATOM 1449 C LEU A 99 -1.160 9.409 2.655 1.00 0.00 C ATOM 1450 O LEU A 99 -2.056 9.307 3.493 1.00 0.00 O ATOM 1451 CB LEU A 99 -1.597 8.566 0.339 1.00 0.00 C ATOM 1452 CG LEU A 99 -1.438 7.480 -0.726 1.00 0.00 C ATOM 1453 CD1 LEU A 99 -2.455 7.674 -1.841 1.00 0.00 C ATOM 1454 CD2 LEU A 99 -0.024 7.486 -1.285 1.00 0.00 C ATOM 0 H LEU A 99 -2.102 6.575 1.711 1.00 0.00 H new ATOM 0 HA LEU A 99 0.188 8.232 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.660 8.706 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.221 9.506 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.619 6.511 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.327 6.892 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.462 7.620 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.305 8.649 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.072 6.707 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.185 8.456 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.686 7.299 -0.480 1.00 0.00 H new ATOM 1466 N ASP A 100 -0.384 10.482 2.553 1.00 0.00 N ATOM 1467 CA ASP A 100 -0.544 11.628 3.441 1.00 0.00 C ATOM 1468 C ASP A 100 -1.724 12.494 3.010 1.00 0.00 C ATOM 1469 O ASP A 100 -2.346 13.165 3.833 1.00 0.00 O ATOM 1470 CB ASP A 100 0.737 12.465 3.463 1.00 0.00 C ATOM 1471 CG ASP A 100 1.939 11.670 3.931 1.00 0.00 C ATOM 1472 OD1 ASP A 100 1.928 11.203 5.090 1.00 0.00 O ATOM 1473 OD2 ASP A 100 2.892 11.513 3.140 1.00 0.00 O ATOM 0 H ASP A 100 0.362 10.583 1.865 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.742 11.252 4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.930 12.855 2.464 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.595 13.324 4.119 1.00 0.00 H new ATOM 1478 N GLU A 101 -2.026 12.475 1.715 1.00 0.00 N ATOM 1479 CA GLU A 101 -3.132 13.259 1.177 1.00 0.00 C ATOM 1480 C GLU A 101 -4.075 12.381 0.358 1.00 0.00 C ATOM 1481 O GLU A 101 -3.642 11.424 -0.282 1.00 0.00 O ATOM 1482 CB GLU A 101 -2.599 14.400 0.310 1.00 0.00 C ATOM 1483 CG GLU A 101 -2.239 15.648 1.099 1.00 0.00 C ATOM 1484 CD GLU A 101 -2.374 16.916 0.277 1.00 0.00 C ATOM 1485 OE1 GLU A 101 -1.606 17.077 -0.694 1.00 0.00 O ATOM 1486 OE2 GLU A 101 -3.247 17.747 0.606 1.00 0.00 O ATOM 0 H GLU A 101 -1.521 11.926 1.020 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.690 13.677 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.717 14.054 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.349 14.657 -0.438 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.883 15.717 1.976 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.215 15.562 1.462 1.00 0.00 H new ATOM 1493 N PRO A 102 -5.383 12.696 0.368 1.00 0.00 N ATOM 1494 CA PRO A 102 -6.385 11.927 -0.381 1.00 0.00 C ATOM 1495 C PRO A 102 -6.076 11.872 -1.873 1.00 0.00 C ATOM 1496 O PRO A 102 -6.594 12.669 -2.655 1.00 0.00 O ATOM 1497 CB PRO A 102 -7.691 12.693 -0.134 1.00 0.00 C ATOM 1498 CG PRO A 102 -7.450 13.476 1.110 1.00 0.00 C ATOM 1499 CD PRO A 102 -5.988 13.820 1.104 1.00 0.00 C ATOM 0 HA PRO A 102 -6.421 10.887 -0.057 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.929 13.348 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -8.532 12.010 -0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.063 14.377 1.129 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.711 12.894 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.800 14.773 0.610 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.589 13.901 2.115 1.00 0.00 H new ATOM 1507 N ILE A 103 -5.227 10.927 -2.262 1.00 0.00 N ATOM 1508 CA ILE A 103 -4.849 10.768 -3.662 1.00 0.00 C ATOM 1509 C ILE A 103 -4.566 9.307 -3.992 1.00 0.00 C ATOM 1510 O ILE A 103 -3.727 9.003 -4.841 1.00 0.00 O ATOM 1511 CB ILE A 103 -3.608 11.613 -4.010 1.00 0.00 C ATOM 1512 CG1 ILE A 103 -2.504 11.390 -2.975 1.00 0.00 C ATOM 1513 CG2 ILE A 103 -3.977 13.087 -4.093 1.00 0.00 C ATOM 1514 CD1 ILE A 103 -1.109 11.576 -3.530 1.00 0.00 C ATOM 0 H ILE A 103 -4.788 10.260 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.693 11.115 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.234 11.298 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -2.651 12.080 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.594 10.382 -2.571 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.090 13.671 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.732 13.230 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.374 13.417 -3.133 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.377 11.402 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.943 10.867 -4.341 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.000 12.593 -3.908 1.00 0.00 H new ATOM 1526 N GLY A 104 -5.270 8.405 -3.316 1.00 0.00 N ATOM 1527 CA GLY A 104 -5.079 6.987 -3.552 1.00 0.00 C ATOM 1528 C GLY A 104 -6.133 6.405 -4.474 1.00 0.00 C ATOM 1529 O GLY A 104 -6.550 7.050 -5.436 1.00 0.00 O ATOM 0 H GLY A 104 -5.969 8.631 -2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -4.092 6.824 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -5.101 6.457 -2.600 1.00 0.00 H new ATOM 1533 N LYS A 105 -6.565 5.183 -4.180 1.00 0.00 N ATOM 1534 CA LYS A 105 -7.576 4.514 -4.990 1.00 0.00 C ATOM 1535 C LYS A 105 -8.535 3.713 -4.115 1.00 0.00 C ATOM 1536 O LYS A 105 -9.751 3.776 -4.292 1.00 0.00 O ATOM 1537 CB LYS A 105 -6.910 3.592 -6.013 1.00 0.00 C ATOM 1538 CG LYS A 105 -6.115 4.334 -7.075 1.00 0.00 C ATOM 1539 CD LYS A 105 -6.886 4.431 -8.383 1.00 0.00 C ATOM 1540 CE LYS A 105 -6.761 3.154 -9.199 1.00 0.00 C ATOM 1541 NZ LYS A 105 -7.920 2.245 -8.986 1.00 0.00 N ATOM 0 H LYS A 105 -6.231 4.636 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.148 5.279 -5.516 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.247 2.902 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.677 2.990 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.875 5.335 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.168 3.822 -7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.937 4.629 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.513 5.274 -8.965 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.686 3.405 -10.257 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.840 2.638 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.066 1.663 -9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -7.731 1.627 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.774 2.809 -8.802 1.00 0.00 H new ATOM 1555 N ASN A 106 -7.978 2.960 -3.171 1.00 0.00 N ATOM 1556 CA ASN A 106 -8.785 2.147 -2.268 1.00 0.00 C ATOM 1557 C ASN A 106 -8.808 2.750 -0.868 1.00 0.00 C ATOM 1558 O ASN A 106 -8.231 3.810 -0.626 1.00 0.00 O ATOM 1559 CB ASN A 106 -8.242 0.718 -2.214 1.00 0.00 C ATOM 1560 CG ASN A 106 -8.692 -0.118 -3.396 1.00 0.00 C ATOM 1561 OD1 ASN A 106 -8.175 0.024 -4.504 1.00 0.00 O ATOM 1562 ND2 ASN A 106 -9.660 -0.997 -3.165 1.00 0.00 N ATOM 0 H ASN A 106 -6.973 2.896 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 106 -9.806 2.126 -2.650 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -7.153 0.747 -2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -8.571 0.242 -1.290 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.004 -1.588 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.060 -1.081 -2.231 1.00 0.00 H new ATOM 1569 N ASP A 107 -9.479 2.066 0.055 1.00 0.00 N ATOM 1570 CA ASP A 107 -9.579 2.534 1.433 1.00 0.00 C ATOM 1571 C ASP A 107 -9.074 1.474 2.405 1.00 0.00 C ATOM 1572 O ASP A 107 -9.547 1.381 3.538 1.00 0.00 O ATOM 1573 CB ASP A 107 -11.026 2.900 1.765 1.00 0.00 C ATOM 1574 CG ASP A 107 -11.593 3.938 0.816 1.00 0.00 C ATOM 1575 OD1 ASP A 107 -10.796 4.665 0.188 1.00 0.00 O ATOM 1576 OD2 ASP A 107 -12.833 4.022 0.701 1.00 0.00 O ATOM 0 H ASP A 107 -9.961 1.186 -0.127 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.955 3.422 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -11.643 2.002 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.077 3.279 2.786 1.00 0.00 H new ATOM 1581 N GLY A 108 -8.110 0.676 1.956 1.00 0.00 N ATOM 1582 CA GLY A 108 -7.557 -0.366 2.801 1.00 0.00 C ATOM 1583 C GLY A 108 -8.519 -1.521 3.005 1.00 0.00 C ATOM 1584 O GLY A 108 -8.589 -2.096 4.091 1.00 0.00 O ATOM 0 H GLY A 108 -7.702 0.733 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.635 -0.740 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.293 0.058 3.770 1.00 0.00 H new ATOM 1588 N SER A 109 -9.263 -1.861 1.957 1.00 0.00 N ATOM 1589 CA SER A 109 -10.226 -2.954 2.026 1.00 0.00 C ATOM 1590 C SER A 109 -10.576 -3.459 0.630 1.00 0.00 C ATOM 1591 O SER A 109 -10.807 -2.670 -0.287 1.00 0.00 O ATOM 1592 CB SER A 109 -11.495 -2.499 2.749 1.00 0.00 C ATOM 1593 OG SER A 109 -11.228 -1.403 3.606 1.00 0.00 O ATOM 0 H SER A 109 -9.217 -1.396 1.051 1.00 0.00 H new ATOM 0 HA SER A 109 -9.771 -3.771 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 109 -12.253 -2.217 2.018 1.00 0.00 H new ATOM 0 HB3 SER A 109 -11.904 -3.327 3.329 1.00 0.00 H new ATOM 0 HG SER A 109 -12.055 -1.130 4.055 1.00 0.00 H new ATOM 1599 N VAL A 110 -10.614 -4.778 0.476 1.00 0.00 N ATOM 1600 CA VAL A 110 -10.936 -5.389 -0.808 1.00 0.00 C ATOM 1601 C VAL A 110 -11.800 -6.632 -0.624 1.00 0.00 C ATOM 1602 O VAL A 110 -11.482 -7.509 0.178 1.00 0.00 O ATOM 1603 CB VAL A 110 -9.661 -5.776 -1.583 1.00 0.00 C ATOM 1604 CG1 VAL A 110 -10.010 -6.224 -2.994 1.00 0.00 C ATOM 1605 CG2 VAL A 110 -8.681 -4.612 -1.611 1.00 0.00 C ATOM 0 H VAL A 110 -10.426 -5.445 1.225 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.489 -4.645 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 110 -9.183 -6.611 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -9.098 -6.493 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -10.672 -7.089 -2.948 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.511 -5.411 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -7.787 -4.903 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.146 -3.756 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.407 -4.342 -0.591 1.00 0.00 H new ATOM 1615 N ALA A 111 -12.896 -6.700 -1.374 1.00 0.00 N ATOM 1616 CA ALA A 111 -13.807 -7.835 -1.293 1.00 0.00 C ATOM 1617 C ALA A 111 -14.373 -7.986 0.115 1.00 0.00 C ATOM 1618 O ALA A 111 -14.661 -9.096 0.563 1.00 0.00 O ATOM 1619 CB ALA A 111 -13.097 -9.111 -1.719 1.00 0.00 C ATOM 0 H ALA A 111 -13.174 -5.983 -2.044 1.00 0.00 H new ATOM 0 HA ALA A 111 -14.640 -7.651 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.788 -9.951 -1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.748 -9.007 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.246 -9.290 -1.062 1.00 0.00 H new ATOM 1625 N GLY A 112 -14.529 -6.863 0.809 1.00 0.00 N ATOM 1626 CA GLY A 112 -15.059 -6.893 2.159 1.00 0.00 C ATOM 1627 C GLY A 112 -14.081 -7.487 3.153 1.00 0.00 C ATOM 1628 O GLY A 112 -14.486 -8.061 4.164 1.00 0.00 O ATOM 0 H GLY A 112 -14.298 -5.933 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -15.316 -5.880 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -15.982 -7.473 2.171 1.00 0.00 H new ATOM 1632 N VAL A 113 -12.791 -7.350 2.865 1.00 0.00 N ATOM 1633 CA VAL A 113 -11.752 -7.878 3.742 1.00 0.00 C ATOM 1634 C VAL A 113 -10.874 -6.758 4.288 1.00 0.00 C ATOM 1635 O VAL A 113 -10.306 -5.973 3.528 1.00 0.00 O ATOM 1636 CB VAL A 113 -10.863 -8.900 3.007 1.00 0.00 C ATOM 1637 CG1 VAL A 113 -9.917 -9.584 3.982 1.00 0.00 C ATOM 1638 CG2 VAL A 113 -11.718 -9.922 2.275 1.00 0.00 C ATOM 0 H VAL A 113 -12.440 -6.878 2.032 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.258 -8.376 4.569 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.263 -8.368 2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.297 -10.302 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -9.280 -8.837 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.495 -10.104 4.746 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -11.073 -10.635 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -12.346 -10.451 2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -12.349 -9.413 1.546 1.00 0.00 H new ATOM 1648 N ARG A 114 -10.766 -6.690 5.611 1.00 0.00 N ATOM 1649 CA ARG A 114 -9.956 -5.666 6.261 1.00 0.00 C ATOM 1650 C ARG A 114 -8.494 -6.095 6.337 1.00 0.00 C ATOM 1651 O ARG A 114 -8.163 -7.100 6.967 1.00 0.00 O ATOM 1652 CB ARG A 114 -10.493 -5.377 7.666 1.00 0.00 C ATOM 1653 CG ARG A 114 -10.922 -3.932 7.868 1.00 0.00 C ATOM 1654 CD ARG A 114 -12.193 -3.834 8.697 1.00 0.00 C ATOM 1655 NE ARG A 114 -12.007 -3.011 9.890 1.00 0.00 N ATOM 1656 CZ ARG A 114 -12.010 -1.680 9.880 1.00 0.00 C ATOM 1657 NH1 ARG A 114 -12.188 -1.018 8.743 1.00 0.00 N ATOM 1658 NH2 ARG A 114 -11.834 -1.009 11.010 1.00 0.00 N ATOM 0 H ARG A 114 -11.229 -7.332 6.254 1.00 0.00 H new ATOM 0 HA ARG A 114 -10.016 -4.756 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -11.343 -6.031 7.863 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.724 -5.625 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -10.122 -3.380 8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -11.083 -3.461 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -12.992 -3.413 8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -12.511 -4.834 8.992 1.00 0.00 H new ATOM 0 HE ARG A 114 -11.867 -3.484 10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -12.323 -1.529 7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -12.189 0.002 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -11.696 -1.513 11.886 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -11.836 0.011 11.003 1.00 0.00 H new ATOM 1672 N TYR A 115 -7.623 -5.328 5.689 1.00 0.00 N ATOM 1673 CA TYR A 115 -6.196 -5.629 5.682 1.00 0.00 C ATOM 1674 C TYR A 115 -5.436 -4.681 6.604 1.00 0.00 C ATOM 1675 O TYR A 115 -4.416 -5.051 7.185 1.00 0.00 O ATOM 1676 CB TYR A 115 -5.640 -5.534 4.260 1.00 0.00 C ATOM 1677 CG TYR A 115 -6.302 -6.482 3.286 1.00 0.00 C ATOM 1678 CD1 TYR A 115 -5.916 -7.814 3.213 1.00 0.00 C ATOM 1679 CD2 TYR A 115 -7.312 -6.044 2.438 1.00 0.00 C ATOM 1680 CE1 TYR A 115 -6.518 -8.684 2.323 1.00 0.00 C ATOM 1681 CE2 TYR A 115 -7.919 -6.908 1.547 1.00 0.00 C ATOM 1682 CZ TYR A 115 -7.519 -8.225 1.493 1.00 0.00 C ATOM 1683 OH TYR A 115 -8.121 -9.089 0.606 1.00 0.00 O ATOM 0 H TYR A 115 -7.880 -4.494 5.162 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.062 -6.647 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.761 -4.513 3.899 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.570 -5.739 4.283 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -5.133 -8.176 3.862 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.627 -5.012 2.476 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -6.206 -9.717 2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.704 -6.552 0.896 1.00 0.00 H new ATOM 0 HH TYR A 115 -8.806 -8.609 0.096 1.00 0.00 H new ATOM 1693 N PHE A 116 -5.938 -3.457 6.731 1.00 0.00 N ATOM 1694 CA PHE A 116 -5.304 -2.457 7.582 1.00 0.00 C ATOM 1695 C PHE A 116 -6.158 -1.196 7.669 1.00 0.00 C ATOM 1696 O PHE A 116 -6.492 -0.589 6.651 1.00 0.00 O ATOM 1697 CB PHE A 116 -3.915 -2.110 7.047 1.00 0.00 C ATOM 1698 CG PHE A 116 -3.933 -1.502 5.679 1.00 0.00 C ATOM 1699 CD1 PHE A 116 -3.980 -2.307 4.554 1.00 0.00 C ATOM 1700 CD2 PHE A 116 -3.901 -0.127 5.516 1.00 0.00 C ATOM 1701 CE1 PHE A 116 -3.995 -1.754 3.291 1.00 0.00 C ATOM 1702 CE2 PHE A 116 -3.913 0.433 4.254 1.00 0.00 C ATOM 1703 CZ PHE A 116 -3.960 -0.383 3.141 1.00 0.00 C ATOM 0 H PHE A 116 -6.781 -3.134 6.256 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.206 -2.877 8.583 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -3.432 -1.418 7.737 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.307 -3.014 7.025 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.005 -3.381 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -3.866 0.514 6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.034 -2.393 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -3.886 1.506 4.138 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.969 0.052 2.153 1.00 0.00 H new ATOM 1713 N GLN A 117 -6.508 -0.808 8.890 1.00 0.00 N ATOM 1714 CA GLN A 117 -7.322 0.382 9.110 1.00 0.00 C ATOM 1715 C GLN A 117 -6.602 1.632 8.614 1.00 0.00 C ATOM 1716 O GLN A 117 -5.481 1.920 9.032 1.00 0.00 O ATOM 1717 CB GLN A 117 -7.660 0.527 10.596 1.00 0.00 C ATOM 1718 CG GLN A 117 -9.098 0.946 10.855 1.00 0.00 C ATOM 1719 CD GLN A 117 -9.481 2.208 10.106 1.00 0.00 C ATOM 1720 OE1 GLN A 117 -9.982 2.043 8.887 1.00 0.00 O flip ATOM 1721 NE2 GLN A 117 -9.330 3.317 10.618 1.00 0.00 N flip ATOM 0 H GLN A 117 -6.241 -1.300 9.743 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.247 0.270 8.545 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.471 -0.422 11.097 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.990 1.262 11.042 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.767 0.137 10.562 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.239 1.105 11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -8.941 3.396 11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.594 4.157 10.103 1.00 0.00 H new ATOM 1730 N CYS A 118 -7.253 2.369 7.721 1.00 0.00 N ATOM 1731 CA CYS A 118 -6.674 3.587 7.167 1.00 0.00 C ATOM 1732 C CYS A 118 -7.764 4.552 6.712 1.00 0.00 C ATOM 1733 O CYS A 118 -8.953 4.262 6.833 1.00 0.00 O ATOM 1734 CB CYS A 118 -5.754 3.251 5.992 1.00 0.00 C ATOM 1735 SG CYS A 118 -6.607 2.518 4.576 1.00 0.00 S ATOM 0 H CYS A 118 -8.182 2.144 7.365 1.00 0.00 H new ATOM 0 HA CYS A 118 -6.091 4.070 7.951 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -5.249 4.161 5.668 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -4.982 2.562 6.334 1.00 0.00 H new ATOM 0 HG CYS A 118 -5.865 1.584 4.058 1.00 0.00 H new ATOM 1741 N GLU A 119 -7.348 5.701 6.188 1.00 0.00 N ATOM 1742 CA GLU A 119 -8.288 6.709 5.713 1.00 0.00 C ATOM 1743 C GLU A 119 -8.589 6.516 4.228 1.00 0.00 C ATOM 1744 O GLU A 119 -7.757 6.003 3.481 1.00 0.00 O ATOM 1745 CB GLU A 119 -7.728 8.112 5.955 1.00 0.00 C ATOM 1746 CG GLU A 119 -7.697 8.509 7.421 1.00 0.00 C ATOM 1747 CD GLU A 119 -6.530 9.419 7.754 1.00 0.00 C ATOM 1748 OE1 GLU A 119 -5.424 8.898 8.005 1.00 0.00 O ATOM 1749 OE2 GLU A 119 -6.723 10.654 7.762 1.00 0.00 O ATOM 0 H GLU A 119 -6.366 5.957 6.082 1.00 0.00 H new ATOM 0 HA GLU A 119 -9.218 6.596 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.717 8.165 5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -8.330 8.835 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.630 9.012 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.640 7.611 8.036 1.00 0.00 H new ATOM 1756 N PRO A 120 -9.788 6.924 3.779 1.00 0.00 N ATOM 1757 CA PRO A 120 -10.194 6.790 2.375 1.00 0.00 C ATOM 1758 C PRO A 120 -9.283 7.566 1.430 1.00 0.00 C ATOM 1759 O PRO A 120 -8.718 8.596 1.799 1.00 0.00 O ATOM 1760 CB PRO A 120 -11.610 7.377 2.345 1.00 0.00 C ATOM 1761 CG PRO A 120 -12.074 7.352 3.760 1.00 0.00 C ATOM 1762 CD PRO A 120 -10.844 7.541 4.599 1.00 0.00 C ATOM 0 HA PRO A 120 -10.142 5.754 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -11.607 8.393 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -12.267 6.788 1.705 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -12.800 8.143 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -12.565 6.407 3.994 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -10.643 8.595 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -10.938 7.054 5.570 1.00 0.00 H new ATOM 1770 N LEU A 121 -9.153 7.069 0.204 1.00 0.00 N ATOM 1771 CA LEU A 121 -8.319 7.716 -0.804 1.00 0.00 C ATOM 1772 C LEU A 121 -6.860 7.789 -0.360 1.00 0.00 C ATOM 1773 O LEU A 121 -6.095 8.614 -0.858 1.00 0.00 O ATOM 1774 CB LEU A 121 -8.844 9.123 -1.095 1.00 0.00 C ATOM 1775 CG LEU A 121 -10.359 9.225 -1.276 1.00 0.00 C ATOM 1776 CD1 LEU A 121 -10.763 10.655 -1.601 1.00 0.00 C ATOM 1777 CD2 LEU A 121 -10.829 8.274 -2.366 1.00 0.00 C ATOM 0 H LEU A 121 -9.616 6.218 -0.116 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.366 7.114 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.546 9.781 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.360 9.495 -1.998 1.00 0.00 H new ATOM 0 HG LEU A 121 -10.839 8.939 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -11.844 10.708 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -10.459 11.313 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -10.275 10.970 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -11.909 8.359 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -10.342 8.530 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -10.573 7.251 -2.091 1.00 0.00 H new ATOM 1789 N LYS A 122 -6.478 6.924 0.575 1.00 0.00 N ATOM 1790 CA LYS A 122 -5.108 6.901 1.074 1.00 0.00 C ATOM 1791 C LYS A 122 -4.545 5.483 1.064 1.00 0.00 C ATOM 1792 O LYS A 122 -3.386 5.269 0.708 1.00 0.00 O ATOM 1793 CB LYS A 122 -5.046 7.482 2.488 1.00 0.00 C ATOM 1794 CG LYS A 122 -5.039 9.001 2.518 1.00 0.00 C ATOM 1795 CD LYS A 122 -5.633 9.537 3.811 1.00 0.00 C ATOM 1796 CE LYS A 122 -5.360 11.023 3.977 1.00 0.00 C ATOM 1797 NZ LYS A 122 -4.598 11.311 5.224 1.00 0.00 N ATOM 0 H LYS A 122 -7.095 6.233 1.001 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.498 7.515 0.412 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -5.900 7.119 3.059 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -4.149 7.112 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -4.017 9.363 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -5.606 9.385 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -6.709 9.361 3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -5.215 8.993 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -4.799 11.388 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -6.305 11.566 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -3.899 12.059 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -5.254 11.626 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -4.108 10.449 5.538 1.00 0.00 H new ATOM 1811 N GLY A 123 -5.370 4.518 1.457 1.00 0.00 N ATOM 1812 CA GLY A 123 -4.932 3.135 1.483 1.00 0.00 C ATOM 1813 C GLY A 123 -4.931 2.501 0.106 1.00 0.00 C ATOM 1814 O GLY A 123 -5.988 2.267 -0.478 1.00 0.00 O ATOM 0 H GLY A 123 -6.333 4.669 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.928 3.083 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -5.584 2.563 2.143 1.00 0.00 H new ATOM 1818 N ILE A 124 -3.739 2.222 -0.412 1.00 0.00 N ATOM 1819 CA ILE A 124 -3.604 1.610 -1.728 1.00 0.00 C ATOM 1820 C ILE A 124 -2.626 0.439 -1.689 1.00 0.00 C ATOM 1821 O ILE A 124 -1.666 0.446 -0.918 1.00 0.00 O ATOM 1822 CB ILE A 124 -3.130 2.636 -2.778 1.00 0.00 C ATOM 1823 CG1 ILE A 124 -3.079 1.995 -4.168 1.00 0.00 C ATOM 1824 CG2 ILE A 124 -1.767 3.199 -2.397 1.00 0.00 C ATOM 1825 CD1 ILE A 124 -3.026 3.003 -5.296 1.00 0.00 C ATOM 0 H ILE A 124 -2.854 2.410 0.059 1.00 0.00 H new ATOM 0 HA ILE A 124 -4.590 1.244 -2.014 1.00 0.00 H new ATOM 0 HB ILE A 124 -3.845 3.458 -2.805 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -2.205 1.347 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -3.955 1.360 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -1.448 3.921 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -1.835 3.691 -1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -1.041 2.388 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.992 2.479 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.913 3.635 -5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.135 3.622 -5.189 1.00 0.00 H new ATOM 1837 N PHE A 125 -2.877 -0.565 -2.522 1.00 0.00 N ATOM 1838 CA PHE A 125 -2.019 -1.741 -2.581 1.00 0.00 C ATOM 1839 C PHE A 125 -1.034 -1.642 -3.743 1.00 0.00 C ATOM 1840 O PHE A 125 -1.416 -1.308 -4.865 1.00 0.00 O ATOM 1841 CB PHE A 125 -2.864 -3.009 -2.719 1.00 0.00 C ATOM 1842 CG PHE A 125 -3.685 -3.316 -1.499 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -3.145 -4.043 -0.449 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -4.997 -2.880 -1.401 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -3.896 -4.327 0.674 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -5.753 -3.161 -0.280 1.00 0.00 C ATOM 1847 CZ PHE A 125 -5.203 -3.886 0.759 1.00 0.00 C ATOM 0 H PHE A 125 -3.668 -0.587 -3.166 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.451 -1.791 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.528 -2.902 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.207 -3.853 -2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.125 -4.391 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.433 -2.314 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.463 -4.893 1.485 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.774 -2.814 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 125 -5.793 -4.108 1.636 1.00 0.00 H new ATOM 1857 N THR A 126 0.232 -1.931 -3.464 1.00 0.00 N ATOM 1858 CA THR A 126 1.273 -1.873 -4.485 1.00 0.00 C ATOM 1859 C THR A 126 2.394 -2.858 -4.173 1.00 0.00 C ATOM 1860 O THR A 126 2.521 -3.334 -3.045 1.00 0.00 O ATOM 1861 CB THR A 126 1.837 -0.456 -4.585 1.00 0.00 C ATOM 1862 OG1 THR A 126 2.844 -0.385 -5.579 1.00 0.00 O ATOM 1863 CG2 THR A 126 2.438 0.042 -3.288 1.00 0.00 C ATOM 0 H THR A 126 0.563 -2.208 -2.540 1.00 0.00 H new ATOM 0 HA THR A 126 0.827 -2.148 -5.441 1.00 0.00 H new ATOM 0 HB THR A 126 0.986 0.175 -4.839 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.495 0.306 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.820 1.053 -3.428 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.673 0.047 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.254 -0.616 -2.989 1.00 0.00 H new ATOM 1871 N ARG A 127 3.206 -3.160 -5.182 1.00 0.00 N ATOM 1872 CA ARG A 127 4.319 -4.090 -5.014 1.00 0.00 C ATOM 1873 C ARG A 127 5.504 -3.402 -4.341 1.00 0.00 C ATOM 1874 O ARG A 127 5.774 -2.227 -4.592 1.00 0.00 O ATOM 1875 CB ARG A 127 4.745 -4.656 -6.370 1.00 0.00 C ATOM 1876 CG ARG A 127 3.770 -5.675 -6.938 1.00 0.00 C ATOM 1877 CD ARG A 127 2.703 -5.010 -7.793 1.00 0.00 C ATOM 1878 NE ARG A 127 2.134 -5.931 -8.773 1.00 0.00 N ATOM 1879 CZ ARG A 127 0.976 -5.729 -9.396 1.00 0.00 C ATOM 1880 NH1 ARG A 127 0.259 -4.641 -9.143 1.00 0.00 N ATOM 1881 NH2 ARG A 127 0.531 -6.618 -10.274 1.00 0.00 N ATOM 0 H ARG A 127 3.115 -2.776 -6.122 1.00 0.00 H new ATOM 0 HA ARG A 127 3.986 -4.908 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.854 -3.835 -7.079 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.725 -5.121 -6.268 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.314 -6.406 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 127 3.296 -6.220 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG A 127 1.909 -4.629 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.135 -4.153 -8.309 1.00 0.00 H new ATOM 0 HE ARG A 127 2.655 -6.780 -8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 127 0.595 -3.954 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -0.628 -4.492 -9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.077 -7.457 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -0.357 -6.463 -10.751 1.00 0.00 H new ATOM 1895 N PRO A 128 6.235 -4.125 -3.473 1.00 0.00 N ATOM 1896 CA PRO A 128 7.396 -3.571 -2.769 1.00 0.00 C ATOM 1897 C PRO A 128 8.445 -3.020 -3.728 1.00 0.00 C ATOM 1898 O PRO A 128 9.067 -1.992 -3.461 1.00 0.00 O ATOM 1899 CB PRO A 128 7.959 -4.769 -1.997 1.00 0.00 C ATOM 1900 CG PRO A 128 6.819 -5.719 -1.874 1.00 0.00 C ATOM 1901 CD PRO A 128 5.990 -5.533 -3.112 1.00 0.00 C ATOM 0 HA PRO A 128 7.118 -2.731 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 128 8.795 -5.223 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 128 8.329 -4.468 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 128 7.174 -6.746 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 128 6.234 -5.512 -0.978 1.00 0.00 H new ATOM 0 HD2 PRO A 128 6.297 -6.212 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 128 4.934 -5.722 -2.921 1.00 0.00 H new ATOM 1909 N SER A 129 8.637 -3.712 -4.846 1.00 0.00 N ATOM 1910 CA SER A 129 9.612 -3.296 -5.848 1.00 0.00 C ATOM 1911 C SER A 129 9.306 -1.891 -6.360 1.00 0.00 C ATOM 1912 O SER A 129 10.207 -1.161 -6.773 1.00 0.00 O ATOM 1913 CB SER A 129 9.628 -4.284 -7.016 1.00 0.00 C ATOM 1914 OG SER A 129 10.945 -4.478 -7.502 1.00 0.00 O ATOM 0 H SER A 129 8.129 -4.565 -5.081 1.00 0.00 H new ATOM 0 HA SER A 129 10.595 -3.284 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 129 9.211 -5.239 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 129 8.992 -3.913 -7.819 1.00 0.00 H new ATOM 0 HG SER A 129 10.928 -5.115 -8.247 1.00 0.00 H new ATOM 1920 N LYS A 130 8.030 -1.518 -6.331 1.00 0.00 N ATOM 1921 CA LYS A 130 7.608 -0.202 -6.794 1.00 0.00 C ATOM 1922 C LYS A 130 7.975 0.876 -5.778 1.00 0.00 C ATOM 1923 O LYS A 130 8.223 2.026 -6.141 1.00 0.00 O ATOM 1924 CB LYS A 130 6.099 -0.187 -7.048 1.00 0.00 C ATOM 1925 CG LYS A 130 5.710 -0.705 -8.423 1.00 0.00 C ATOM 1926 CD LYS A 130 5.458 0.435 -9.396 1.00 0.00 C ATOM 1927 CE LYS A 130 5.850 0.052 -10.813 1.00 0.00 C ATOM 1928 NZ LYS A 130 6.082 1.249 -11.668 1.00 0.00 N ATOM 0 H LYS A 130 7.271 -2.109 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 130 8.129 0.011 -7.727 1.00 0.00 H new ATOM 0 HB2 LYS A 130 5.605 -0.792 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 130 5.730 0.832 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.502 -1.346 -8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 130 4.814 -1.320 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 130 4.404 0.711 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 130 6.025 1.313 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 130 6.754 -0.557 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 130 5.065 -0.562 -11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.347 0.945 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 5.212 1.817 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 6.849 1.822 -11.262 1.00 0.00 H new ATOM 1942 N LEU A 131 8.009 0.496 -4.506 1.00 0.00 N ATOM 1943 CA LEU A 131 8.345 1.430 -3.438 1.00 0.00 C ATOM 1944 C LEU A 131 9.760 1.972 -3.616 1.00 0.00 C ATOM 1945 O LEU A 131 10.647 1.271 -4.102 1.00 0.00 O ATOM 1946 CB LEU A 131 8.215 0.746 -2.075 1.00 0.00 C ATOM 1947 CG LEU A 131 6.918 -0.036 -1.863 1.00 0.00 C ATOM 1948 CD1 LEU A 131 6.872 -0.623 -0.461 1.00 0.00 C ATOM 1949 CD2 LEU A 131 5.712 0.859 -2.108 1.00 0.00 C ATOM 0 H LEU A 131 7.808 -0.452 -4.189 1.00 0.00 H new ATOM 0 HA LEU A 131 7.647 2.266 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 131 9.057 0.066 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 131 8.295 1.504 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 131 6.889 -0.857 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 131 5.942 -1.176 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.718 -1.296 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.923 0.182 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 131 4.797 0.287 -1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.736 1.700 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.738 1.232 -3.132 1.00 0.00 H new ATOM 1961 N THR A 132 9.963 3.225 -3.220 1.00 0.00 N ATOM 1962 CA THR A 132 11.271 3.859 -3.338 1.00 0.00 C ATOM 1963 C THR A 132 11.537 4.785 -2.155 1.00 0.00 C ATOM 1964 O THR A 132 10.650 5.038 -1.340 1.00 0.00 O ATOM 1965 CB THR A 132 11.362 4.647 -4.646 1.00 0.00 C ATOM 1966 OG1 THR A 132 10.377 5.664 -4.690 1.00 0.00 O ATOM 1967 CG2 THR A 132 11.186 3.784 -5.877 1.00 0.00 C ATOM 0 H THR A 132 9.240 3.820 -2.816 1.00 0.00 H new ATOM 0 HA THR A 132 12.028 3.075 -3.339 1.00 0.00 H new ATOM 0 HB THR A 132 12.366 5.070 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 132 9.503 5.283 -4.461 1.00 0.00 H new ATOM 0 HG21 THR A 132 11.262 4.404 -6.770 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.963 3.019 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 132 10.207 3.306 -5.849 1.00 0.00 H new ATOM 1975 N ARG A 133 12.765 5.287 -2.068 1.00 0.00 N ATOM 1976 CA ARG A 133 13.149 6.184 -0.985 1.00 0.00 C ATOM 1977 C ARG A 133 13.234 7.626 -1.478 1.00 0.00 C ATOM 1978 O ARG A 133 14.070 7.957 -2.318 1.00 0.00 O ATOM 1979 CB ARG A 133 14.491 5.752 -0.388 1.00 0.00 C ATOM 1980 CG ARG A 133 14.437 5.500 1.111 1.00 0.00 C ATOM 1981 CD ARG A 133 15.645 6.091 1.821 1.00 0.00 C ATOM 1982 NE ARG A 133 15.656 5.765 3.245 1.00 0.00 N ATOM 1983 CZ ARG A 133 16.051 4.592 3.734 1.00 0.00 C ATOM 1984 NH1 ARG A 133 16.467 3.631 2.918 1.00 0.00 N ATOM 1985 NH2 ARG A 133 16.030 4.380 5.043 1.00 0.00 N ATOM 0 H ARG A 133 13.511 5.087 -2.735 1.00 0.00 H new ATOM 0 HA ARG A 133 12.383 6.130 -0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 133 14.827 4.844 -0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 133 15.235 6.522 -0.592 1.00 0.00 H new ATOM 0 HG2 ARG A 133 13.525 5.934 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 133 14.392 4.427 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 133 16.557 5.717 1.356 1.00 0.00 H new ATOM 0 HD3 ARG A 133 15.645 7.174 1.697 1.00 0.00 H new ATOM 0 HE ARG A 133 15.342 6.478 3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.485 3.790 1.911 1.00 0.00 H new ATOM 0 HH12 ARG A 133 16.769 2.734 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 133 15.711 5.116 5.674 1.00 0.00 H new ATOM 0 HH22 ARG A 133 16.332 3.481 5.419 1.00 0.00 H new ATOM 1999 N LYS A 134 12.363 8.480 -0.948 1.00 0.00 N ATOM 2000 CA LYS A 134 12.339 9.886 -1.332 1.00 0.00 C ATOM 2001 C LYS A 134 12.091 10.038 -2.830 1.00 0.00 C ATOM 2002 O LYS A 134 12.255 9.089 -3.597 1.00 0.00 O ATOM 2003 CB LYS A 134 13.658 10.564 -0.948 1.00 0.00 C ATOM 2004 CG LYS A 134 13.526 11.527 0.221 1.00 0.00 C ATOM 2005 CD LYS A 134 13.216 12.937 -0.252 1.00 0.00 C ATOM 2006 CE LYS A 134 14.435 13.599 -0.874 1.00 0.00 C ATOM 2007 NZ LYS A 134 14.075 14.427 -2.057 1.00 0.00 N ATOM 0 H LYS A 134 11.664 8.222 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 134 11.521 10.369 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 134 14.392 9.798 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.045 11.104 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.736 11.184 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.451 11.530 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.406 12.907 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.866 13.535 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.928 14.225 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 134 15.152 12.833 -1.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.934 14.861 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.628 13.826 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.411 15.174 -1.769 1.00 0.00 H new