USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1230 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 121 MET CE :methyl -114:sc= -0.028 (180deg=-0.226) USER MOD Set 1.2: A 125 HIS : no HD1:sc= -0.0196 X(o=-0.048,f=-0.5) USER MOD Set 2.1: A 70 LYS NZ :NH3+ -115:sc= 0.129 (180deg=0) USER MOD Set 2.2: A 76 THR OG1 : rot -90:sc= 1.34 USER MOD Set 3.1: A 33 ASN : amide:sc= -1.67 K(o=-2.1,f=-0.015) USER MOD Set 3.2: A 84 ASN : amide:sc= -0.467 K(o=-2.1,f=-2.9!) USER MOD Set 4.1: A 2 TYR OH : rot 180:sc= -0.0151 USER MOD Set 4.2: A 133 MET CE :methyl -170:sc= -0.699 (180deg=-1.05) USER MOD Single : A 1 ASN : amide:sc= -0.995! C(o=-1!,f=-6.1!) USER MOD Single : A 1 ASN N :NH3+ -153:sc= 1.08 (180deg=0.603) USER MOD Single : A 8 HIS : no HE2:sc= -8.69! C(o=-8.7!,f=-13!) USER MOD Single : A 9 SER OG : rot 150:sc= 1.25 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -103:sc= 0.962 (180deg=0.192) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -82:sc= 0.405 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.629 (180deg=0.626) USER MOD Single : A 22 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 34 ASN : amide:sc= 0.274 K(o=0.27,f=-3.9!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0501 USER MOD Single : A 38 THR OG1 : rot 37:sc= 0.663 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.26) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 1.29 (180deg=-0.0123) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.12 X(o=-2.1,f=-2.6!) USER MOD Single : A 63 HIS : no HD1:sc= -4.68! C(o=-4.2!,f=-12!) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000652 USER MOD Single : A 93 ASN : amide:sc= 0.279 X(o=0.28,f=-0.12) USER MOD Single : A 94 SER OG : rot -177:sc= -0.369 USER MOD Single : A 95 SER OG : rot -160:sc= -3.31! USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0297 USER MOD Single : A 100 THR OG1 : rot 89:sc= 0.102 USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0224) USER MOD Single : A 109 THR OG1 : rot -2:sc= 0.542 USER MOD Single : A 115 HIS : no HE2:sc= -3.12 K(o=-3.1,f=-4.9!) USER MOD Single : A 116 THR OG1 : rot -22:sc= 0.288 USER MOD Single : A 117 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0474) USER MOD Single : A 131 ASN : amide:sc= -0.81 X(o=-0.81,f=-1.1) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc=-0.00667 X(o=-0.0067,f=-0.16) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.38) USER MOD Single : A 147 LYS NZ :NH3+ -147:sc= 1.22 (180deg=0.267) USER MOD Single : A 154 LYS NZ :NH3+ -120:sc= 1.6 (180deg=-1.95!) USER MOD Single : A 155 LYS NZ :NH3+ -178:sc= 0.867 (180deg=0.859) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.475 13.170 -8.216 1.00 1.65 N ATOM 2 CA ASN A 1 6.472 12.932 -6.755 1.00 1.32 C ATOM 3 C ASN A 1 7.769 12.252 -6.314 1.00 1.24 C ATOM 4 O ASN A 1 8.667 12.055 -7.133 1.00 1.61 O ATOM 5 CB ASN A 1 5.243 12.089 -6.349 1.00 1.23 C ATOM 6 CG ASN A 1 5.113 10.778 -7.113 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.582 10.648 -8.242 1.00 1.66 O ATOM 8 ND2 ASN A 1 4.447 9.802 -6.509 1.00 1.42 N ATOM 0 H1 ASN A 1 5.870 13.987 -8.436 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.446 13.363 -8.534 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.111 12.328 -8.706 1.00 1.65 H new ATOM 0 HA ASN A 1 6.409 13.895 -6.249 1.00 1.32 H new ATOM 0 HB2 ASN A 1 5.300 11.872 -5.282 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.341 12.681 -6.506 1.00 1.23 H new ATOM 0 HD21 ASN A 1 4.311 8.909 -6.982 1.00 1.42 H new ATOM 0 HD22 ASN A 1 4.071 9.945 -5.571 1.00 1.42 H new ATOM 17 N TYR A 2 7.870 11.959 -5.006 1.00 1.16 N ATOM 18 CA TYR A 2 9.008 11.232 -4.399 1.00 1.12 C ATOM 19 C TYR A 2 10.114 12.203 -4.034 1.00 1.22 C ATOM 20 O TYR A 2 10.209 12.615 -2.887 1.00 1.20 O ATOM 21 CB TYR A 2 9.566 10.108 -5.297 1.00 1.31 C ATOM 22 CG TYR A 2 8.526 9.133 -5.811 1.00 1.67 C ATOM 23 CD1 TYR A 2 7.734 8.411 -4.925 1.00 2.21 C ATOM 24 CD2 TYR A 2 8.347 8.920 -7.171 1.00 1.84 C ATOM 25 CE1 TYR A 2 6.796 7.507 -5.380 1.00 2.90 C ATOM 26 CE2 TYR A 2 7.406 8.020 -7.633 1.00 2.43 C ATOM 27 CZ TYR A 2 6.597 7.377 -6.776 1.00 2.97 C ATOM 28 OH TYR A 2 5.711 6.404 -7.187 1.00 3.73 O ATOM 0 H TYR A 2 7.155 12.223 -4.328 1.00 1.16 H new ATOM 0 HA TYR A 2 8.622 10.750 -3.501 1.00 1.12 H new ATOM 0 HB2 TYR A 2 10.073 10.560 -6.149 1.00 1.31 H new ATOM 0 HB3 TYR A 2 10.318 9.553 -4.736 1.00 1.31 H new ATOM 0 HD1 TYR A 2 7.855 8.560 -3.862 1.00 2.21 H new ATOM 0 HD2 TYR A 2 8.953 9.466 -7.879 1.00 1.84 H new ATOM 0 HE1 TYR A 2 6.225 6.910 -4.685 1.00 2.90 H new ATOM 0 HE2 TYR A 2 7.320 7.832 -8.693 1.00 2.43 H new ATOM 0 HH TYR A 2 5.653 6.406 -8.165 1.00 3.73 H new ATOM 38 N ASP A 3 10.916 12.590 -5.020 1.00 1.44 N ATOM 39 CA ASP A 3 12.040 13.505 -4.793 1.00 1.65 C ATOM 40 C ASP A 3 11.598 14.769 -4.042 1.00 1.53 C ATOM 41 O ASP A 3 12.194 15.114 -3.025 1.00 1.62 O ATOM 42 CB ASP A 3 12.716 13.861 -6.129 1.00 1.99 C ATOM 43 CG ASP A 3 13.883 14.824 -5.981 1.00 2.44 C ATOM 44 OD1 ASP A 3 15.044 14.362 -5.922 1.00 2.78 O ATOM 45 OD2 ASP A 3 13.649 16.049 -5.952 1.00 2.63 O ATOM 0 H ASP A 3 10.812 12.286 -5.988 1.00 1.44 H new ATOM 0 HA ASP A 3 12.768 12.995 -4.162 1.00 1.65 H new ATOM 0 HB2 ASP A 3 13.069 12.945 -6.604 1.00 1.99 H new ATOM 0 HB3 ASP A 3 11.975 14.301 -6.796 1.00 1.99 H new ATOM 50 N PRO A 4 10.558 15.489 -4.509 1.00 1.46 N ATOM 51 CA PRO A 4 10.018 16.607 -3.754 1.00 1.45 C ATOM 52 C PRO A 4 8.980 16.168 -2.718 1.00 1.27 C ATOM 53 O PRO A 4 9.207 16.269 -1.513 1.00 1.34 O ATOM 54 CB PRO A 4 9.393 17.490 -4.833 1.00 1.61 C ATOM 55 CG PRO A 4 9.036 16.565 -5.955 1.00 1.63 C ATOM 56 CD PRO A 4 9.871 15.314 -5.801 1.00 1.52 C ATOM 0 HA PRO A 4 10.782 17.118 -3.168 1.00 1.45 H new ATOM 0 HB2 PRO A 4 8.510 18.006 -4.455 1.00 1.61 H new ATOM 0 HB3 PRO A 4 10.092 18.257 -5.165 1.00 1.61 H new ATOM 0 HG2 PRO A 4 7.974 16.322 -5.927 1.00 1.63 H new ATOM 0 HG3 PRO A 4 9.230 17.038 -6.918 1.00 1.63 H new ATOM 0 HD2 PRO A 4 9.249 14.419 -5.802 1.00 1.52 H new ATOM 0 HD3 PRO A 4 10.584 15.209 -6.619 1.00 1.52 H new ATOM 64 N PHE A 5 7.841 15.693 -3.201 1.00 1.17 N ATOM 65 CA PHE A 5 6.770 15.208 -2.348 1.00 1.11 C ATOM 66 C PHE A 5 5.951 14.177 -3.112 1.00 0.94 C ATOM 67 O PHE A 5 5.754 14.317 -4.317 1.00 1.01 O ATOM 68 CB PHE A 5 5.879 16.371 -1.885 1.00 1.40 C ATOM 69 CG PHE A 5 5.361 17.240 -3.006 1.00 1.63 C ATOM 70 CD1 PHE A 5 6.086 18.342 -3.438 1.00 1.75 C ATOM 71 CD2 PHE A 5 4.153 16.958 -3.624 1.00 2.34 C ATOM 72 CE1 PHE A 5 5.616 19.140 -4.463 1.00 2.39 C ATOM 73 CE2 PHE A 5 3.678 17.753 -4.648 1.00 3.21 C ATOM 74 CZ PHE A 5 4.410 18.846 -5.068 1.00 3.19 C ATOM 0 H PHE A 5 7.635 15.634 -4.198 1.00 1.17 H new ATOM 0 HA PHE A 5 7.199 14.742 -1.461 1.00 1.11 H new ATOM 0 HB2 PHE A 5 5.031 15.966 -1.333 1.00 1.40 H new ATOM 0 HB3 PHE A 5 6.444 16.992 -1.190 1.00 1.40 H new ATOM 0 HD1 PHE A 5 7.029 18.578 -2.967 1.00 1.75 H new ATOM 0 HD2 PHE A 5 3.575 16.105 -3.300 1.00 2.34 H new ATOM 0 HE1 PHE A 5 6.191 19.993 -4.791 1.00 2.39 H new ATOM 0 HE2 PHE A 5 2.735 17.520 -5.120 1.00 3.21 H new ATOM 0 HZ PHE A 5 4.040 19.470 -5.868 1.00 3.19 H new ATOM 84 N VAL A 6 5.504 13.132 -2.435 1.00 0.85 N ATOM 85 CA VAL A 6 4.694 12.103 -3.076 1.00 0.79 C ATOM 86 C VAL A 6 3.362 11.924 -2.362 1.00 0.69 C ATOM 87 O VAL A 6 3.297 11.898 -1.132 1.00 0.77 O ATOM 88 CB VAL A 6 5.445 10.745 -3.184 1.00 0.92 C ATOM 89 CG1 VAL A 6 6.527 10.634 -2.129 1.00 1.44 C ATOM 90 CG2 VAL A 6 4.487 9.563 -3.079 1.00 1.41 C ATOM 0 H VAL A 6 5.686 12.972 -1.444 1.00 0.85 H new ATOM 0 HA VAL A 6 4.497 12.448 -4.091 1.00 0.79 H new ATOM 0 HB VAL A 6 5.913 10.716 -4.168 1.00 0.92 H new ATOM 0 HG11 VAL A 6 7.035 9.675 -2.228 1.00 1.44 H new ATOM 0 HG12 VAL A 6 7.247 11.442 -2.260 1.00 1.44 H new ATOM 0 HG13 VAL A 6 6.078 10.706 -1.138 1.00 1.44 H new ATOM 0 HG21 VAL A 6 5.048 8.632 -3.159 1.00 1.41 H new ATOM 0 HG22 VAL A 6 3.973 9.596 -2.119 1.00 1.41 H new ATOM 0 HG23 VAL A 6 3.755 9.616 -3.885 1.00 1.41 H new ATOM 100 N ARG A 7 2.302 11.816 -3.148 1.00 0.64 N ATOM 101 CA ARG A 7 0.967 11.666 -2.611 1.00 0.56 C ATOM 102 C ARG A 7 0.160 10.689 -3.454 1.00 0.54 C ATOM 103 O ARG A 7 0.287 10.658 -4.679 1.00 0.64 O ATOM 104 CB ARG A 7 0.273 13.029 -2.572 1.00 0.57 C ATOM 105 CG ARG A 7 -1.126 12.997 -1.976 1.00 0.57 C ATOM 106 CD ARG A 7 -1.694 14.399 -1.821 1.00 0.71 C ATOM 107 NE ARG A 7 -1.787 15.106 -3.100 1.00 1.61 N ATOM 108 CZ ARG A 7 -2.859 15.791 -3.496 1.00 2.25 C ATOM 109 NH1 ARG A 7 -3.906 15.920 -2.687 1.00 2.26 N ATOM 110 NH2 ARG A 7 -2.871 16.378 -4.687 1.00 3.37 N ATOM 0 H ARG A 7 2.346 11.830 -4.167 1.00 0.64 H new ATOM 0 HA ARG A 7 1.036 11.269 -1.598 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.886 13.721 -1.995 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.215 13.424 -3.586 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.782 12.405 -2.615 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.098 12.504 -1.004 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -2.684 14.339 -1.369 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.065 14.970 -1.138 1.00 0.71 H new ATOM 0 HE ARG A 7 -0.982 15.072 -3.726 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -3.890 15.494 -1.760 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -4.725 16.445 -2.993 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.059 16.305 -5.300 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -3.692 16.902 -4.989 1.00 3.37 H new ATOM 124 N HIS A 8 -0.652 9.879 -2.796 1.00 0.47 N ATOM 125 CA HIS A 8 -1.579 9.005 -3.498 1.00 0.46 C ATOM 126 C HIS A 8 -2.985 9.517 -3.290 1.00 0.39 C ATOM 127 O HIS A 8 -3.376 9.823 -2.170 1.00 0.39 O ATOM 128 CB HIS A 8 -1.401 7.541 -3.018 1.00 0.56 C ATOM 129 CG HIS A 8 -2.650 6.708 -2.816 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.762 5.778 -1.800 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.807 6.619 -3.516 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.926 5.164 -1.884 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.578 5.655 -2.916 1.00 0.76 N ATOM 0 H HIS A 8 -0.689 9.808 -1.779 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.373 9.010 -4.568 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.768 7.026 -3.741 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.856 7.562 -2.074 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.051 5.594 -1.092 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -4.074 7.200 -4.386 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.283 4.391 -1.220 1.00 0.41 H new ATOM 142 N SER A 9 -3.744 9.593 -4.364 1.00 0.42 N ATOM 143 CA SER A 9 -5.109 10.042 -4.266 1.00 0.40 C ATOM 144 C SER A 9 -6.027 9.106 -5.038 1.00 0.41 C ATOM 145 O SER A 9 -5.956 9.004 -6.262 1.00 0.53 O ATOM 146 CB SER A 9 -5.232 11.483 -4.772 1.00 0.52 C ATOM 147 OG SER A 9 -6.390 12.112 -4.249 1.00 1.28 O ATOM 0 H SER A 9 -3.438 9.351 -5.306 1.00 0.42 H new ATOM 0 HA SER A 9 -5.414 10.026 -3.220 1.00 0.40 H new ATOM 0 HB2 SER A 9 -4.346 12.049 -4.485 1.00 0.52 H new ATOM 0 HB3 SER A 9 -5.273 11.487 -5.861 1.00 0.52 H new ATOM 0 HG SER A 9 -6.228 13.075 -4.161 1.00 1.28 H new ATOM 153 N VAL A 10 -6.850 8.393 -4.295 1.00 0.35 N ATOM 154 CA VAL A 10 -7.793 7.440 -4.872 1.00 0.36 C ATOM 155 C VAL A 10 -9.227 7.744 -4.450 1.00 0.32 C ATOM 156 O VAL A 10 -9.482 8.093 -3.294 1.00 0.32 O ATOM 157 CB VAL A 10 -7.413 5.991 -4.468 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.634 5.092 -4.318 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.457 5.409 -5.488 1.00 1.18 C ATOM 0 H VAL A 10 -6.888 8.453 -3.278 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.736 7.535 -5.956 1.00 0.36 H new ATOM 0 HB VAL A 10 -6.929 6.038 -3.493 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.315 4.089 -4.035 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.290 5.495 -3.547 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.172 5.047 -5.265 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.193 4.391 -5.200 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -6.934 5.397 -6.468 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.555 6.019 -5.531 1.00 1.18 H new ATOM 169 N THR A 11 -10.151 7.628 -5.397 1.00 0.35 N ATOM 170 CA THR A 11 -11.565 7.738 -5.101 1.00 0.34 C ATOM 171 C THR A 11 -12.171 6.347 -4.922 1.00 0.33 C ATOM 172 O THR A 11 -12.178 5.530 -5.843 1.00 0.43 O ATOM 173 CB THR A 11 -12.318 8.490 -6.215 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.699 9.761 -6.455 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.777 8.701 -5.838 1.00 0.51 C ATOM 0 H THR A 11 -9.939 7.457 -6.380 1.00 0.35 H new ATOM 0 HA THR A 11 -11.668 8.306 -4.177 1.00 0.34 H new ATOM 0 HB THR A 11 -12.275 7.885 -7.121 1.00 0.46 H new ATOM 0 HG1 THR A 11 -12.183 10.232 -7.166 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.287 9.234 -6.641 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.256 7.734 -5.683 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.835 9.286 -4.920 1.00 0.51 H new ATOM 183 N VAL A 12 -12.660 6.089 -3.727 1.00 0.29 N ATOM 184 CA VAL A 12 -13.254 4.815 -3.378 1.00 0.35 C ATOM 185 C VAL A 12 -14.771 4.888 -3.520 1.00 0.32 C ATOM 186 O VAL A 12 -15.411 5.801 -2.995 1.00 0.36 O ATOM 187 CB VAL A 12 -12.865 4.432 -1.934 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.674 3.253 -1.427 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.377 4.120 -1.869 1.00 0.81 C ATOM 0 H VAL A 12 -12.656 6.765 -2.963 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.879 4.049 -4.056 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.088 5.281 -1.288 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.370 3.015 -0.408 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.734 3.507 -1.440 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.500 2.389 -2.069 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.106 3.850 -0.848 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.150 3.289 -2.537 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.808 4.997 -2.176 1.00 0.81 H new ATOM 199 N LYS A 13 -15.335 3.921 -4.232 1.00 0.34 N ATOM 200 CA LYS A 13 -16.757 3.928 -4.568 1.00 0.38 C ATOM 201 C LYS A 13 -17.556 2.976 -3.679 1.00 0.31 C ATOM 202 O LYS A 13 -18.630 2.517 -4.069 1.00 0.37 O ATOM 203 CB LYS A 13 -16.960 3.541 -6.047 1.00 0.58 C ATOM 204 CG LYS A 13 -16.282 2.233 -6.463 1.00 0.68 C ATOM 205 CD LYS A 13 -14.830 2.452 -6.868 1.00 0.97 C ATOM 206 CE LYS A 13 -14.718 3.370 -8.077 1.00 0.88 C ATOM 207 NZ LYS A 13 -15.318 2.773 -9.303 1.00 0.98 N ATOM 0 H LYS A 13 -14.826 3.114 -4.592 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.124 4.940 -4.398 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -18.029 3.459 -6.244 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -16.581 4.347 -6.675 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.326 1.522 -5.638 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -16.828 1.789 -7.295 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.279 2.882 -6.032 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.366 1.492 -7.095 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -15.213 4.316 -7.858 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -13.668 3.595 -8.263 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -14.561 2.421 -9.924 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -15.941 1.985 -9.036 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -15.871 3.496 -9.807 1.00 0.98 H new ATOM 221 N ALA A 14 -17.052 2.691 -2.484 1.00 0.29 N ATOM 222 CA ALA A 14 -17.735 1.758 -1.594 1.00 0.30 C ATOM 223 C ALA A 14 -17.420 2.024 -0.122 1.00 0.28 C ATOM 224 O ALA A 14 -17.382 1.091 0.686 1.00 0.31 O ATOM 225 CB ALA A 14 -17.371 0.330 -1.969 1.00 0.36 C ATOM 0 H ALA A 14 -16.187 3.085 -2.113 1.00 0.29 H new ATOM 0 HA ALA A 14 -18.808 1.906 -1.719 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -17.883 -0.363 -1.302 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -17.675 0.135 -2.998 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.294 0.193 -1.877 1.00 0.36 H new ATOM 231 N ASP A 15 -17.216 3.295 0.221 1.00 0.28 N ATOM 232 CA ASP A 15 -17.025 3.714 1.619 1.00 0.31 C ATOM 233 C ASP A 15 -15.648 3.318 2.171 1.00 0.28 C ATOM 234 O ASP A 15 -14.927 2.494 1.598 1.00 0.29 O ATOM 235 CB ASP A 15 -18.157 3.137 2.488 1.00 0.39 C ATOM 236 CG ASP A 15 -17.954 3.330 3.978 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.932 2.326 4.716 1.00 0.91 O ATOM 238 OD2 ASP A 15 -17.827 4.495 4.415 1.00 0.76 O ATOM 0 H ASP A 15 -17.178 4.061 -0.451 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.063 4.803 1.650 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.098 3.604 2.197 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.253 2.071 2.280 1.00 0.39 H new ATOM 243 N ARG A 16 -15.307 3.919 3.304 1.00 0.28 N ATOM 244 CA ARG A 16 -14.002 3.771 3.924 1.00 0.27 C ATOM 245 C ARG A 16 -13.776 2.339 4.396 1.00 0.28 C ATOM 246 O ARG A 16 -12.635 1.878 4.485 1.00 0.28 O ATOM 247 CB ARG A 16 -13.896 4.743 5.105 1.00 0.29 C ATOM 248 CG ARG A 16 -12.490 4.944 5.631 1.00 0.28 C ATOM 249 CD ARG A 16 -12.342 6.322 6.262 1.00 0.40 C ATOM 250 NE ARG A 16 -13.183 6.495 7.442 1.00 0.93 N ATOM 251 CZ ARG A 16 -13.028 7.487 8.318 1.00 1.32 C ATOM 252 NH1 ARG A 16 -12.113 8.429 8.110 1.00 1.37 N ATOM 253 NH2 ARG A 16 -13.788 7.540 9.401 1.00 1.88 N ATOM 0 H ARG A 16 -15.939 4.530 3.822 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.233 4.001 3.187 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.298 5.709 4.801 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.525 4.378 5.917 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.259 4.175 6.368 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -11.773 4.832 4.818 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.299 6.481 6.538 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.596 7.084 5.525 1.00 0.40 H new ATOM 0 HE ARG A 16 -13.930 5.820 7.605 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -11.526 8.394 7.277 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -11.998 9.186 8.784 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -14.493 6.821 9.565 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -13.669 8.300 10.071 1.00 1.88 H new ATOM 267 N LYS A 17 -14.867 1.640 4.686 1.00 0.33 N ATOM 268 CA LYS A 17 -14.796 0.276 5.165 1.00 0.39 C ATOM 269 C LYS A 17 -14.169 -0.643 4.117 1.00 0.35 C ATOM 270 O LYS A 17 -13.316 -1.465 4.445 1.00 0.37 O ATOM 271 CB LYS A 17 -16.192 -0.209 5.544 1.00 0.53 C ATOM 272 CG LYS A 17 -16.186 -1.451 6.403 1.00 1.34 C ATOM 273 CD LYS A 17 -17.552 -1.703 7.006 1.00 1.70 C ATOM 274 CE LYS A 17 -17.494 -2.827 8.015 1.00 2.46 C ATOM 275 NZ LYS A 17 -18.788 -3.004 8.725 1.00 3.05 N ATOM 0 H LYS A 17 -15.815 2.004 4.595 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.159 0.249 6.049 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.713 0.588 6.075 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -16.758 -0.409 4.634 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -15.886 -2.310 5.803 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -15.448 -1.344 7.198 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -17.915 -0.795 7.487 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -18.262 -1.952 6.218 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -17.228 -3.755 7.509 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -16.707 -2.623 8.741 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -18.706 -3.784 9.408 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -19.030 -2.127 9.229 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -19.535 -3.225 8.036 1.00 3.05 H new ATOM 289 N THR A 18 -14.570 -0.491 2.857 1.00 0.35 N ATOM 290 CA THR A 18 -13.998 -1.299 1.787 1.00 0.36 C ATOM 291 C THR A 18 -12.597 -0.821 1.456 1.00 0.33 C ATOM 292 O THR A 18 -11.724 -1.622 1.129 1.00 0.37 O ATOM 293 CB THR A 18 -14.837 -1.261 0.502 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.016 0.093 0.086 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.185 -1.928 0.705 1.00 0.80 C ATOM 0 H THR A 18 -15.280 0.176 2.556 1.00 0.35 H new ATOM 0 HA THR A 18 -13.980 -2.325 2.156 1.00 0.36 H new ATOM 0 HB THR A 18 -14.305 -1.813 -0.273 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.749 0.498 0.596 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.756 -1.885 -0.223 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.036 -2.969 0.992 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.733 -1.410 1.492 1.00 0.80 H new ATOM 303 N ALA A 19 -12.391 0.489 1.535 1.00 0.29 N ATOM 304 CA ALA A 19 -11.077 1.065 1.289 1.00 0.29 C ATOM 305 C ALA A 19 -10.042 0.447 2.221 1.00 0.28 C ATOM 306 O ALA A 19 -8.979 0.014 1.784 1.00 0.32 O ATOM 307 CB ALA A 19 -11.118 2.574 1.460 1.00 0.31 C ATOM 0 H ALA A 19 -13.115 1.169 1.767 1.00 0.29 H new ATOM 0 HA ALA A 19 -10.789 0.844 0.261 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.127 2.988 1.272 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -11.830 3.001 0.753 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.426 2.817 2.477 1.00 0.31 H new ATOM 313 N PHE A 20 -10.376 0.387 3.504 1.00 0.25 N ATOM 314 CA PHE A 20 -9.499 -0.217 4.498 1.00 0.26 C ATOM 315 C PHE A 20 -9.432 -1.732 4.311 1.00 0.31 C ATOM 316 O PHE A 20 -8.352 -2.323 4.357 1.00 0.33 O ATOM 317 CB PHE A 20 -9.990 0.136 5.905 1.00 0.28 C ATOM 318 CG PHE A 20 -9.204 -0.499 7.020 1.00 0.30 C ATOM 319 CD1 PHE A 20 -8.119 0.156 7.584 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.540 -1.759 7.492 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.387 -0.431 8.597 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.812 -2.349 8.506 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.773 -1.660 9.101 1.00 0.38 C ATOM 0 H PHE A 20 -11.251 0.751 3.881 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.492 0.180 4.367 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.958 1.219 6.026 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -11.034 -0.164 5.997 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.843 1.137 7.226 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.380 -2.284 7.062 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.516 0.068 8.995 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.055 -3.349 8.834 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.264 -2.079 9.956 1.00 0.38 H new ATOM 333 N LYS A 21 -10.590 -2.354 4.095 1.00 0.35 N ATOM 334 CA LYS A 21 -10.658 -3.795 3.873 1.00 0.42 C ATOM 335 C LYS A 21 -9.756 -4.207 2.721 1.00 0.44 C ATOM 336 O LYS A 21 -8.921 -5.084 2.872 1.00 0.49 O ATOM 337 CB LYS A 21 -12.101 -4.228 3.589 1.00 0.49 C ATOM 338 CG LYS A 21 -12.240 -5.646 3.038 1.00 0.64 C ATOM 339 CD LYS A 21 -11.737 -6.694 4.019 1.00 1.24 C ATOM 340 CE LYS A 21 -11.920 -8.109 3.479 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.125 -8.353 2.242 1.00 2.39 N ATOM 0 H LYS A 21 -11.493 -1.881 4.069 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.313 -4.292 4.780 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.678 -4.152 4.511 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.543 -3.530 2.878 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.286 -5.842 2.804 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.684 -5.728 2.104 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -10.682 -6.519 4.229 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.271 -6.594 4.964 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -11.626 -8.828 4.244 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -12.976 -8.281 3.269 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -11.256 -9.337 1.933 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.445 -7.709 1.491 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -10.118 -8.183 2.437 1.00 2.39 H new ATOM 355 N THR A 22 -9.914 -3.554 1.586 1.00 0.43 N ATOM 356 CA THR A 22 -9.160 -3.907 0.399 1.00 0.48 C ATOM 357 C THR A 22 -7.674 -3.601 0.580 1.00 0.49 C ATOM 358 O THR A 22 -6.833 -4.471 0.380 1.00 0.68 O ATOM 359 CB THR A 22 -9.700 -3.160 -0.838 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.126 -3.277 -0.887 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.109 -3.722 -2.123 1.00 0.58 C ATOM 0 H THR A 22 -10.559 -2.774 1.461 1.00 0.43 H new ATOM 0 HA THR A 22 -9.278 -4.979 0.243 1.00 0.48 H new ATOM 0 HB THR A 22 -9.411 -2.112 -0.752 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.531 -2.562 -0.353 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.509 -3.175 -2.977 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.024 -3.618 -2.101 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.370 -4.776 -2.213 1.00 0.58 H new ATOM 369 N PHE A 23 -7.367 -2.376 1.003 1.00 0.37 N ATOM 370 CA PHE A 23 -5.984 -1.905 1.073 1.00 0.38 C ATOM 371 C PHE A 23 -5.163 -2.682 2.108 1.00 0.38 C ATOM 372 O PHE A 23 -3.972 -2.915 1.909 1.00 0.43 O ATOM 373 CB PHE A 23 -5.953 -0.404 1.393 1.00 0.37 C ATOM 374 CG PHE A 23 -4.591 0.232 1.282 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.107 0.653 0.053 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.788 0.400 2.405 1.00 0.40 C ATOM 377 CE1 PHE A 23 -2.857 1.227 -0.059 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.536 0.977 2.297 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.082 1.421 1.089 1.00 0.48 C ATOM 0 H PHE A 23 -8.059 -1.690 1.303 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.529 -2.079 0.098 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.637 0.112 0.719 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.329 -0.254 2.405 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.717 0.530 -0.830 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.146 0.077 3.371 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.480 1.524 -1.026 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -1.914 1.077 3.174 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.127 1.921 1.020 1.00 0.48 H new ATOM 389 N LEU A 24 -5.792 -3.086 3.208 1.00 0.35 N ATOM 390 CA LEU A 24 -5.053 -3.743 4.282 1.00 0.37 C ATOM 391 C LEU A 24 -5.435 -5.220 4.420 1.00 0.39 C ATOM 392 O LEU A 24 -4.576 -6.100 4.378 1.00 0.48 O ATOM 393 CB LEU A 24 -5.282 -3.017 5.615 1.00 0.40 C ATOM 394 CG LEU A 24 -4.195 -3.251 6.666 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.891 -2.618 6.213 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.614 -2.701 8.022 1.00 0.44 C ATOM 0 H LEU A 24 -6.791 -2.973 3.378 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.996 -3.695 4.022 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.357 -1.947 5.422 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.240 -3.335 6.026 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.048 -4.326 6.775 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -2.122 -2.789 6.967 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.579 -3.064 5.269 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -3.035 -1.546 6.078 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.822 -2.882 8.749 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.794 -1.629 7.940 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.527 -3.198 8.350 1.00 0.44 H new ATOM 408 N GLU A 25 -6.722 -5.498 4.576 1.00 0.40 N ATOM 409 CA GLU A 25 -7.174 -6.860 4.846 1.00 0.46 C ATOM 410 C GLU A 25 -7.672 -7.550 3.581 1.00 0.54 C ATOM 411 O GLU A 25 -8.594 -8.365 3.627 1.00 1.01 O ATOM 412 CB GLU A 25 -8.276 -6.851 5.902 1.00 0.51 C ATOM 413 CG GLU A 25 -7.823 -6.313 7.245 1.00 0.66 C ATOM 414 CD GLU A 25 -8.468 -7.052 8.393 1.00 0.91 C ATOM 415 OE1 GLU A 25 -7.947 -8.104 8.810 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.494 -6.559 8.907 1.00 1.18 O ATOM 0 H GLU A 25 -7.469 -4.805 4.521 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.318 -7.423 5.220 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -9.109 -6.249 5.541 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.650 -7.866 6.034 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.739 -6.396 7.323 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -8.067 -5.253 7.313 1.00 0.66 H new ATOM 423 N GLY A 26 -7.059 -7.230 2.457 1.00 0.37 N ATOM 424 CA GLY A 26 -7.440 -7.846 1.207 1.00 0.45 C ATOM 425 C GLY A 26 -6.335 -7.779 0.189 1.00 0.48 C ATOM 426 O GLY A 26 -6.595 -7.666 -0.995 1.00 0.83 O ATOM 0 H GLY A 26 -6.301 -6.551 2.387 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.709 -8.888 1.383 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.327 -7.350 0.813 1.00 0.45 H new ATOM 430 N PHE A 27 -5.100 -7.874 0.645 1.00 0.42 N ATOM 431 CA PHE A 27 -3.955 -7.662 -0.228 1.00 0.44 C ATOM 432 C PHE A 27 -3.904 -8.685 -1.386 1.00 0.47 C ATOM 433 O PHE A 27 -3.795 -8.294 -2.545 1.00 0.53 O ATOM 434 CB PHE A 27 -2.658 -7.694 0.582 1.00 0.48 C ATOM 435 CG PHE A 27 -1.608 -6.760 0.057 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.613 -5.421 0.401 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.611 -7.229 -0.780 1.00 0.63 C ATOM 438 CE1 PHE A 27 -0.644 -4.563 -0.082 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.361 -6.378 -1.267 1.00 0.74 C ATOM 440 CZ PHE A 27 0.328 -5.021 -0.914 1.00 0.71 C ATOM 0 H PHE A 27 -4.862 -8.096 1.612 1.00 0.42 H new ATOM 0 HA PHE A 27 -4.067 -6.677 -0.680 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.878 -7.437 1.618 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.263 -8.710 0.583 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -2.384 -5.041 1.055 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.593 -8.273 -1.056 1.00 0.63 H new ATOM 0 HE1 PHE A 27 -0.659 -3.522 0.203 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.140 -6.754 -1.914 1.00 0.74 H new ATOM 0 HZ PHE A 27 1.073 -4.342 -1.302 1.00 0.71 H new ATOM 450 N PRO A 28 -3.994 -10.007 -1.108 1.00 0.49 N ATOM 451 CA PRO A 28 -3.852 -11.046 -2.146 1.00 0.57 C ATOM 452 C PRO A 28 -5.086 -11.248 -3.037 1.00 0.59 C ATOM 453 O PRO A 28 -5.186 -12.263 -3.729 1.00 0.76 O ATOM 454 CB PRO A 28 -3.600 -12.307 -1.323 1.00 0.73 C ATOM 455 CG PRO A 28 -4.342 -12.074 -0.058 1.00 0.74 C ATOM 456 CD PRO A 28 -4.199 -10.607 0.228 1.00 0.52 C ATOM 0 HA PRO A 28 -3.068 -10.776 -2.853 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -3.962 -13.197 -1.838 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -2.536 -12.456 -1.139 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -5.391 -12.353 -0.161 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -3.931 -12.674 0.754 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -5.088 -10.206 0.715 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.356 -10.408 0.890 1.00 0.52 H new ATOM 464 N GLU A 29 -6.025 -10.309 -3.031 1.00 0.54 N ATOM 465 CA GLU A 29 -7.218 -10.443 -3.870 1.00 0.67 C ATOM 466 C GLU A 29 -7.241 -9.383 -4.968 1.00 0.69 C ATOM 467 O GLU A 29 -8.155 -9.349 -5.794 1.00 0.85 O ATOM 468 CB GLU A 29 -8.492 -10.343 -3.027 1.00 0.85 C ATOM 469 CG GLU A 29 -8.720 -8.964 -2.438 1.00 0.90 C ATOM 470 CD GLU A 29 -9.959 -8.895 -1.561 1.00 1.18 C ATOM 471 OE1 GLU A 29 -9.834 -9.082 -0.333 1.00 1.21 O ATOM 472 OE2 GLU A 29 -11.066 -8.662 -2.088 1.00 1.49 O ATOM 0 H GLU A 29 -5.989 -9.460 -2.467 1.00 0.54 H new ATOM 0 HA GLU A 29 -7.180 -11.427 -4.337 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -9.349 -10.612 -3.644 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -8.441 -11.071 -2.218 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.848 -8.676 -1.850 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.812 -8.239 -3.247 1.00 0.90 H new ATOM 479 N TRP A 30 -6.242 -8.511 -4.960 1.00 0.64 N ATOM 480 CA TRP A 30 -6.153 -7.437 -5.942 1.00 0.81 C ATOM 481 C TRP A 30 -5.770 -7.975 -7.318 1.00 0.66 C ATOM 482 O TRP A 30 -5.218 -9.067 -7.447 1.00 0.74 O ATOM 483 CB TRP A 30 -5.117 -6.383 -5.531 1.00 1.07 C ATOM 484 CG TRP A 30 -5.346 -5.755 -4.190 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.376 -5.989 -3.334 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.515 -4.774 -3.557 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.222 -5.240 -2.196 1.00 0.80 N ATOM 488 CE2 TRP A 30 -5.092 -4.479 -2.312 1.00 2.05 C ATOM 489 CE3 TRP A 30 -3.334 -4.122 -3.917 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.531 -3.564 -1.427 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.780 -3.213 -3.038 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.378 -2.940 -1.806 1.00 4.29 C ATOM 0 H TRP A 30 -5.479 -8.526 -4.283 1.00 0.64 H new ATOM 0 HA TRP A 30 -7.141 -6.978 -5.988 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -4.130 -6.846 -5.534 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -5.103 -5.596 -6.286 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.196 -6.666 -3.523 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.850 -5.249 -1.392 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -2.862 -4.325 -4.867 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.992 -3.355 -0.473 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.867 -2.703 -3.308 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.920 -2.222 -1.141 1.00 4.29 H new ATOM 503 N TRP A 31 -6.059 -7.178 -8.334 1.00 0.55 N ATOM 504 CA TRP A 31 -5.682 -7.483 -9.710 1.00 0.57 C ATOM 505 C TRP A 31 -4.287 -6.938 -10.107 1.00 0.60 C ATOM 506 O TRP A 31 -3.575 -7.604 -10.854 1.00 0.74 O ATOM 507 CB TRP A 31 -6.711 -6.894 -10.679 1.00 0.74 C ATOM 508 CG TRP A 31 -8.127 -7.261 -10.369 1.00 0.62 C ATOM 509 CD1 TRP A 31 -9.129 -6.409 -9.998 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.700 -8.573 -10.394 1.00 1.24 C ATOM 511 NE1 TRP A 31 -10.296 -7.112 -9.811 1.00 1.10 N ATOM 512 CE2 TRP A 31 -10.055 -8.444 -10.040 1.00 1.54 C ATOM 513 CE3 TRP A 31 -8.198 -9.844 -10.686 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.912 -9.538 -9.971 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -9.050 -10.930 -10.614 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.395 -10.771 -10.260 1.00 2.78 C ATOM 0 H TRP A 31 -6.563 -6.298 -8.230 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.647 -8.571 -9.772 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.619 -5.808 -10.672 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.474 -7.227 -11.689 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -9.020 -5.342 -9.871 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -11.195 -6.709 -9.545 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -7.162 -9.975 -10.963 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.950 -9.418 -9.699 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.672 -11.917 -10.834 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -11.037 -11.638 -10.214 1.00 2.78 H new ATOM 527 N PRO A 32 -3.872 -5.726 -9.628 1.00 0.71 N ATOM 528 CA PRO A 32 -2.748 -4.977 -10.228 1.00 0.84 C ATOM 529 C PRO A 32 -1.406 -5.718 -10.262 1.00 0.85 C ATOM 530 O PRO A 32 -1.051 -6.323 -11.272 1.00 1.36 O ATOM 531 CB PRO A 32 -2.637 -3.719 -9.362 1.00 1.01 C ATOM 532 CG PRO A 32 -3.354 -4.041 -8.097 1.00 0.92 C ATOM 533 CD PRO A 32 -4.438 -4.995 -8.477 1.00 0.87 C ATOM 0 HA PRO A 32 -2.956 -4.790 -11.282 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.594 -3.467 -9.169 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -3.086 -2.859 -9.860 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.678 -4.487 -7.367 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.767 -3.141 -7.641 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.684 -5.669 -7.656 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.356 -4.472 -8.747 1.00 0.87 H new ATOM 541 N ASN A 33 -0.656 -5.662 -9.168 1.00 0.53 N ATOM 542 CA ASN A 33 0.693 -6.226 -9.143 1.00 0.57 C ATOM 543 C ASN A 33 0.711 -7.450 -8.250 1.00 0.67 C ATOM 544 O ASN A 33 1.705 -8.171 -8.158 1.00 0.72 O ATOM 545 CB ASN A 33 1.699 -5.181 -8.640 1.00 0.60 C ATOM 546 CG ASN A 33 3.141 -5.568 -8.925 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.685 -5.242 -9.978 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.769 -6.258 -7.989 1.00 0.76 N ATOM 0 H ASN A 33 -0.954 -5.235 -8.291 1.00 0.53 H new ATOM 0 HA ASN A 33 0.980 -6.516 -10.154 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.485 -4.221 -9.111 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.569 -5.045 -7.566 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.740 -6.539 -8.127 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.283 -6.510 -7.128 1.00 0.76 H new ATOM 555 N ASN A 34 -0.423 -7.694 -7.627 1.00 0.85 N ATOM 556 CA ASN A 34 -0.533 -8.700 -6.584 1.00 1.03 C ATOM 557 C ASN A 34 -0.817 -10.074 -7.171 1.00 1.40 C ATOM 558 O ASN A 34 -1.944 -10.562 -7.109 1.00 1.74 O ATOM 559 CB ASN A 34 -1.635 -8.305 -5.595 1.00 1.07 C ATOM 560 CG ASN A 34 -1.378 -6.959 -4.938 1.00 1.16 C ATOM 561 OD1 ASN A 34 -0.761 -6.062 -5.517 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.866 -6.801 -3.727 1.00 1.47 N ATOM 0 H ASN A 34 -1.295 -7.203 -7.827 1.00 0.85 H new ATOM 0 HA ASN A 34 0.420 -8.753 -6.058 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.592 -8.273 -6.117 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.718 -9.071 -4.824 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -1.739 -5.915 -3.238 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -2.372 -7.564 -3.277 1.00 1.47 H new ATOM 569 N PHE A 35 0.200 -10.687 -7.770 1.00 1.51 N ATOM 570 CA PHE A 35 0.011 -11.998 -8.390 1.00 1.98 C ATOM 571 C PHE A 35 1.314 -12.816 -8.465 1.00 2.03 C ATOM 572 O PHE A 35 1.474 -13.654 -9.350 1.00 2.51 O ATOM 573 CB PHE A 35 -0.582 -11.802 -9.794 1.00 2.40 C ATOM 574 CG PHE A 35 -1.196 -13.042 -10.391 1.00 2.92 C ATOM 575 CD1 PHE A 35 -0.679 -13.594 -11.552 1.00 3.19 C ATOM 576 CD2 PHE A 35 -2.280 -13.659 -9.786 1.00 3.49 C ATOM 577 CE1 PHE A 35 -1.234 -14.734 -12.101 1.00 3.91 C ATOM 578 CE2 PHE A 35 -2.839 -14.800 -10.331 1.00 4.27 C ATOM 579 CZ PHE A 35 -2.341 -15.321 -11.496 1.00 4.45 C ATOM 0 H PHE A 35 1.145 -10.309 -7.840 1.00 1.51 H new ATOM 0 HA PHE A 35 -0.674 -12.571 -7.764 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -1.342 -11.022 -9.748 1.00 2.40 H new ATOM 0 HB3 PHE A 35 0.203 -11.444 -10.460 1.00 2.40 H new ATOM 0 HD1 PHE A 35 0.168 -13.128 -12.033 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -2.693 -13.244 -8.878 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -0.811 -15.167 -12.995 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -3.670 -15.282 -9.837 1.00 4.27 H new ATOM 0 HZ PHE A 35 -2.807 -16.186 -11.944 1.00 4.45 H new ATOM 589 N ARG A 36 2.238 -12.605 -7.533 1.00 1.65 N ATOM 590 CA ARG A 36 3.481 -13.383 -7.523 1.00 1.75 C ATOM 591 C ARG A 36 3.841 -13.853 -6.119 1.00 1.59 C ATOM 592 O ARG A 36 3.502 -13.208 -5.134 1.00 1.48 O ATOM 593 CB ARG A 36 4.644 -12.577 -8.110 1.00 1.73 C ATOM 594 CG ARG A 36 4.606 -12.455 -9.625 1.00 1.84 C ATOM 595 CD ARG A 36 4.523 -13.820 -10.292 1.00 2.25 C ATOM 596 NE ARG A 36 5.586 -14.724 -9.847 1.00 2.72 N ATOM 597 CZ ARG A 36 5.570 -16.043 -10.043 1.00 3.34 C ATOM 598 NH1 ARG A 36 4.559 -16.611 -10.689 1.00 3.59 N ATOM 599 NH2 ARG A 36 6.565 -16.792 -9.589 1.00 4.14 N ATOM 0 H ARG A 36 2.157 -11.916 -6.786 1.00 1.65 H new ATOM 0 HA ARG A 36 3.308 -14.260 -8.146 1.00 1.75 H new ATOM 0 HB2 ARG A 36 4.637 -11.578 -7.675 1.00 1.73 H new ATOM 0 HB3 ARG A 36 5.583 -13.046 -7.816 1.00 1.73 H new ATOM 0 HG2 ARG A 36 3.748 -11.851 -9.921 1.00 1.84 H new ATOM 0 HG3 ARG A 36 5.498 -11.933 -9.972 1.00 1.84 H new ATOM 0 HD2 ARG A 36 3.554 -14.269 -10.075 1.00 2.25 H new ATOM 0 HD3 ARG A 36 4.583 -13.697 -11.373 1.00 2.25 H new ATOM 0 HE ARG A 36 6.386 -14.321 -9.358 1.00 2.72 H new ATOM 0 HH11 ARG A 36 3.790 -16.038 -11.038 1.00 3.59 H new ATOM 0 HH12 ARG A 36 4.551 -17.620 -10.837 1.00 3.59 H new ATOM 0 HH21 ARG A 36 7.342 -16.359 -9.090 1.00 4.14 H new ATOM 0 HH22 ARG A 36 6.553 -17.801 -9.739 1.00 4.14 H new ATOM 613 N THR A 37 4.557 -14.965 -6.033 1.00 1.75 N ATOM 614 CA THR A 37 4.939 -15.522 -4.749 1.00 1.72 C ATOM 615 C THR A 37 6.081 -14.719 -4.149 1.00 1.37 C ATOM 616 O THR A 37 7.032 -14.360 -4.849 1.00 1.37 O ATOM 617 CB THR A 37 5.345 -16.999 -4.886 1.00 2.19 C ATOM 618 OG1 THR A 37 6.144 -17.175 -6.064 1.00 2.53 O ATOM 619 CG2 THR A 37 4.117 -17.895 -4.957 1.00 2.68 C ATOM 0 H THR A 37 4.884 -15.497 -6.839 1.00 1.75 H new ATOM 0 HA THR A 37 4.076 -15.467 -4.085 1.00 1.72 H new ATOM 0 HB THR A 37 5.925 -17.280 -4.007 1.00 2.19 H new ATOM 0 HG1 THR A 37 6.402 -18.117 -6.147 1.00 2.53 H new ATOM 0 HG21 THR A 37 4.430 -18.935 -5.054 1.00 2.68 H new ATOM 0 HG22 THR A 37 3.527 -17.777 -4.048 1.00 2.68 H new ATOM 0 HG23 THR A 37 3.513 -17.616 -5.820 1.00 2.68 H new ATOM 627 N THR A 38 5.963 -14.425 -2.855 1.00 1.24 N ATOM 628 CA THR A 38 6.874 -13.522 -2.148 1.00 1.07 C ATOM 629 C THR A 38 7.052 -12.194 -2.896 1.00 1.09 C ATOM 630 O THR A 38 8.065 -11.502 -2.755 1.00 1.38 O ATOM 631 CB THR A 38 8.243 -14.164 -1.839 1.00 1.16 C ATOM 632 OG1 THR A 38 8.681 -15.018 -2.907 1.00 1.42 O ATOM 633 CG2 THR A 38 8.157 -14.954 -0.553 1.00 1.37 C ATOM 0 H THR A 38 5.227 -14.809 -2.262 1.00 1.24 H new ATOM 0 HA THR A 38 6.399 -13.314 -1.189 1.00 1.07 H new ATOM 0 HB THR A 38 8.974 -13.362 -1.732 1.00 1.16 H new ATOM 0 HG1 THR A 38 8.424 -14.625 -3.767 1.00 1.42 H new ATOM 0 HG21 THR A 38 9.125 -15.406 -0.338 1.00 1.37 H new ATOM 0 HG22 THR A 38 7.877 -14.289 0.264 1.00 1.37 H new ATOM 0 HG23 THR A 38 7.406 -15.737 -0.657 1.00 1.37 H new ATOM 641 N LYS A 39 6.038 -11.846 -3.676 1.00 0.96 N ATOM 642 CA LYS A 39 5.987 -10.570 -4.363 1.00 1.09 C ATOM 643 C LYS A 39 4.544 -10.104 -4.439 1.00 1.22 C ATOM 644 O LYS A 39 3.907 -10.172 -5.492 1.00 1.97 O ATOM 645 CB LYS A 39 6.575 -10.658 -5.765 1.00 1.15 C ATOM 646 CG LYS A 39 6.888 -9.296 -6.376 1.00 1.49 C ATOM 647 CD LYS A 39 7.151 -9.401 -7.867 1.00 1.66 C ATOM 648 CE LYS A 39 8.116 -10.527 -8.182 1.00 2.28 C ATOM 649 NZ LYS A 39 9.494 -10.257 -7.690 1.00 2.90 N ATOM 0 H LYS A 39 5.229 -12.443 -3.848 1.00 0.96 H new ATOM 0 HA LYS A 39 6.587 -9.855 -3.800 1.00 1.09 H new ATOM 0 HB2 LYS A 39 7.489 -11.252 -5.731 1.00 1.15 H new ATOM 0 HB3 LYS A 39 5.875 -11.186 -6.412 1.00 1.15 H new ATOM 0 HG2 LYS A 39 6.054 -8.617 -6.200 1.00 1.49 H new ATOM 0 HG3 LYS A 39 7.759 -8.866 -5.881 1.00 1.49 H new ATOM 0 HD2 LYS A 39 6.211 -9.568 -8.393 1.00 1.66 H new ATOM 0 HD3 LYS A 39 7.558 -8.458 -8.233 1.00 1.66 H new ATOM 0 HE2 LYS A 39 7.749 -11.450 -7.734 1.00 2.28 H new ATOM 0 HE3 LYS A 39 8.144 -10.685 -9.260 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 10.078 -11.109 -7.809 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 9.909 -9.473 -8.233 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 9.459 -10.000 -6.683 1.00 2.90 H new ATOM 663 N VAL A 40 4.042 -9.712 -3.279 1.00 1.04 N ATOM 664 CA VAL A 40 2.699 -9.168 -3.081 1.00 1.22 C ATOM 665 C VAL A 40 1.595 -10.069 -3.639 1.00 1.42 C ATOM 666 O VAL A 40 0.516 -9.595 -3.975 1.00 1.83 O ATOM 667 CB VAL A 40 2.559 -7.723 -3.627 1.00 1.30 C ATOM 668 CG1 VAL A 40 3.685 -6.870 -3.088 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.522 -7.659 -5.148 1.00 1.40 C ATOM 0 H VAL A 40 4.577 -9.764 -2.412 1.00 1.04 H new ATOM 0 HA VAL A 40 2.564 -9.131 -2.000 1.00 1.22 H new ATOM 0 HB VAL A 40 1.599 -7.338 -3.283 1.00 1.30 H new ATOM 0 HG11 VAL A 40 3.588 -5.854 -3.471 1.00 1.78 H new ATOM 0 HG12 VAL A 40 3.639 -6.853 -1.999 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.641 -7.287 -3.405 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.423 -6.621 -5.466 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.444 -8.076 -5.552 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.672 -8.234 -5.516 1.00 1.40 H new ATOM 679 N GLY A 41 1.826 -11.378 -3.656 1.00 1.42 N ATOM 680 CA GLY A 41 0.838 -12.264 -4.256 1.00 1.82 C ATOM 681 C GLY A 41 0.815 -13.660 -3.664 1.00 1.67 C ATOM 682 O GLY A 41 0.123 -14.541 -4.173 1.00 2.17 O ATOM 0 H GLY A 41 2.656 -11.835 -3.277 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -0.150 -11.817 -4.144 1.00 1.82 H new ATOM 0 HA3 GLY A 41 1.035 -12.338 -5.326 1.00 1.82 H new ATOM 686 N ALA A 42 1.564 -13.871 -2.597 1.00 1.12 N ATOM 687 CA ALA A 42 1.552 -15.152 -1.902 1.00 1.00 C ATOM 688 C ALA A 42 0.369 -15.197 -0.934 1.00 1.01 C ATOM 689 O ALA A 42 -0.511 -14.343 -1.012 1.00 1.09 O ATOM 690 CB ALA A 42 2.879 -15.338 -1.176 1.00 0.80 C ATOM 0 H ALA A 42 2.189 -13.175 -2.191 1.00 1.12 H new ATOM 0 HA ALA A 42 1.434 -15.970 -2.613 1.00 1.00 H new ATOM 0 HB1 ALA A 42 2.877 -16.295 -0.654 1.00 0.80 H new ATOM 0 HB2 ALA A 42 3.695 -15.321 -1.899 1.00 0.80 H new ATOM 0 HB3 ALA A 42 3.016 -14.532 -0.456 1.00 0.80 H new ATOM 696 N PRO A 43 0.260 -16.213 -0.057 1.00 1.05 N ATOM 697 CA PRO A 43 -0.602 -16.101 1.119 1.00 1.15 C ATOM 698 C PRO A 43 -0.069 -14.999 2.034 1.00 1.08 C ATOM 699 O PRO A 43 0.546 -15.261 3.065 1.00 1.40 O ATOM 700 CB PRO A 43 -0.516 -17.480 1.789 1.00 1.29 C ATOM 701 CG PRO A 43 0.695 -18.131 1.209 1.00 1.48 C ATOM 702 CD PRO A 43 0.879 -17.547 -0.165 1.00 1.11 C ATOM 0 HA PRO A 43 -1.632 -15.838 0.880 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -0.430 -17.386 2.872 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -1.411 -18.069 1.590 1.00 1.29 H new ATOM 0 HG2 PRO A 43 1.571 -17.944 1.830 1.00 1.48 H new ATOM 0 HG3 PRO A 43 0.566 -19.212 1.157 1.00 1.48 H new ATOM 0 HD2 PRO A 43 1.933 -17.480 -0.435 1.00 1.11 H new ATOM 0 HD3 PRO A 43 0.393 -18.155 -0.928 1.00 1.11 H new ATOM 710 N LEU A 44 -0.280 -13.760 1.620 1.00 0.87 N ATOM 711 CA LEU A 44 0.380 -12.635 2.198 1.00 0.85 C ATOM 712 C LEU A 44 -0.627 -11.670 2.753 1.00 0.81 C ATOM 713 O LEU A 44 -1.790 -12.003 2.984 1.00 1.24 O ATOM 714 CB LEU A 44 1.199 -11.908 1.120 1.00 0.95 C ATOM 715 CG LEU A 44 0.455 -10.823 0.318 1.00 1.26 C ATOM 716 CD1 LEU A 44 1.420 -9.777 -0.198 1.00 1.75 C ATOM 717 CD2 LEU A 44 -0.327 -11.418 -0.833 1.00 1.66 C ATOM 0 H LEU A 44 -0.923 -13.521 0.865 1.00 0.87 H new ATOM 0 HA LEU A 44 1.031 -12.990 2.997 1.00 0.85 H new ATOM 0 HB2 LEU A 44 2.064 -11.448 1.598 1.00 0.95 H new ATOM 0 HB3 LEU A 44 1.580 -12.651 0.420 1.00 0.95 H new ATOM 0 HG LEU A 44 -0.252 -10.347 0.998 1.00 1.26 H new ATOM 0 HD11 LEU A 44 0.871 -9.022 -0.761 1.00 1.75 H new ATOM 0 HD12 LEU A 44 1.928 -9.305 0.643 1.00 1.75 H new ATOM 0 HD13 LEU A 44 2.156 -10.250 -0.848 1.00 1.75 H new ATOM 0 HD21 LEU A 44 -0.838 -10.623 -1.375 1.00 1.66 H new ATOM 0 HD22 LEU A 44 0.355 -11.936 -1.507 1.00 1.66 H new ATOM 0 HD23 LEU A 44 -1.062 -12.124 -0.447 1.00 1.66 H new ATOM 729 N GLY A 45 -0.145 -10.480 2.964 1.00 0.61 N ATOM 730 CA GLY A 45 -0.985 -9.372 3.212 1.00 0.75 C ATOM 731 C GLY A 45 -0.457 -8.565 4.335 1.00 0.61 C ATOM 732 O GLY A 45 0.655 -8.037 4.275 1.00 0.61 O ATOM 0 H GLY A 45 0.851 -10.262 2.966 1.00 0.61 H new ATOM 0 HA2 GLY A 45 -1.059 -8.756 2.316 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -1.992 -9.716 3.446 1.00 0.75 H new ATOM 736 N VAL A 46 -1.216 -8.539 5.388 1.00 0.54 N ATOM 737 CA VAL A 46 -0.945 -7.618 6.467 1.00 0.45 C ATOM 738 C VAL A 46 -1.171 -8.245 7.829 1.00 0.47 C ATOM 739 O VAL A 46 -2.157 -8.945 8.062 1.00 0.60 O ATOM 740 CB VAL A 46 -1.795 -6.339 6.332 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.520 -5.390 7.488 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.514 -5.658 4.995 1.00 0.49 C ATOM 0 H VAL A 46 -2.028 -9.140 5.530 1.00 0.54 H new ATOM 0 HA VAL A 46 0.110 -7.355 6.391 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.849 -6.616 6.364 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -2.129 -4.493 7.375 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.768 -5.881 8.429 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.465 -5.115 7.490 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -2.120 -4.756 4.912 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.458 -5.392 4.937 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.762 -6.339 4.181 1.00 0.49 H new ATOM 752 N ASP A 47 -0.233 -7.978 8.711 1.00 0.41 N ATOM 753 CA ASP A 47 -0.299 -8.390 10.096 1.00 0.49 C ATOM 754 C ASP A 47 -0.616 -7.163 10.939 1.00 0.52 C ATOM 755 O ASP A 47 0.238 -6.296 11.127 1.00 0.57 O ATOM 756 CB ASP A 47 1.046 -8.999 10.494 1.00 0.58 C ATOM 757 CG ASP A 47 1.094 -9.527 11.911 1.00 0.79 C ATOM 758 OD1 ASP A 47 1.380 -10.730 12.090 1.00 1.11 O ATOM 759 OD2 ASP A 47 0.897 -8.736 12.846 1.00 0.95 O ATOM 0 H ASP A 47 0.614 -7.458 8.481 1.00 0.41 H new ATOM 0 HA ASP A 47 -1.075 -9.140 10.251 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.281 -9.812 9.807 1.00 0.58 H new ATOM 0 HB3 ASP A 47 1.823 -8.245 10.373 1.00 0.58 H new ATOM 764 N LYS A 48 -1.851 -7.067 11.404 1.00 0.63 N ATOM 765 CA LYS A 48 -2.311 -5.884 12.127 1.00 0.79 C ATOM 766 C LYS A 48 -1.848 -5.916 13.576 1.00 0.85 C ATOM 767 O LYS A 48 -1.645 -4.876 14.200 1.00 1.06 O ATOM 768 CB LYS A 48 -3.837 -5.774 12.080 1.00 1.01 C ATOM 769 CG LYS A 48 -4.387 -5.373 10.719 1.00 1.38 C ATOM 770 CD LYS A 48 -5.305 -6.441 10.149 1.00 1.34 C ATOM 771 CE LYS A 48 -4.527 -7.671 9.720 1.00 2.06 C ATOM 772 NZ LYS A 48 -5.426 -8.779 9.303 1.00 2.81 N ATOM 0 H LYS A 48 -2.558 -7.794 11.295 1.00 0.63 H new ATOM 0 HA LYS A 48 -1.877 -5.012 11.637 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.269 -6.733 12.367 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.161 -5.044 12.821 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -4.933 -4.434 10.809 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -3.561 -5.197 10.030 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -6.047 -6.721 10.896 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -5.849 -6.037 9.295 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -3.864 -7.411 8.895 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -3.895 -8.006 10.543 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -4.911 -9.426 8.672 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -5.749 -9.299 10.144 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -6.249 -8.388 8.801 1.00 2.81 H new ATOM 786 N LYS A 49 -1.678 -7.123 14.096 1.00 0.80 N ATOM 787 CA LYS A 49 -1.332 -7.322 15.498 1.00 0.97 C ATOM 788 C LYS A 49 0.111 -6.904 15.788 1.00 1.14 C ATOM 789 O LYS A 49 0.435 -6.497 16.907 1.00 1.32 O ATOM 790 CB LYS A 49 -1.562 -8.788 15.882 1.00 1.08 C ATOM 791 CG LYS A 49 -0.895 -9.774 14.939 1.00 1.35 C ATOM 792 CD LYS A 49 -1.285 -11.208 15.241 1.00 1.66 C ATOM 793 CE LYS A 49 -0.617 -12.175 14.273 1.00 2.40 C ATOM 794 NZ LYS A 49 -1.022 -13.582 14.525 1.00 3.17 N ATOM 0 H LYS A 49 -1.775 -7.987 13.563 1.00 0.80 H new ATOM 0 HA LYS A 49 -1.978 -6.687 16.104 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -1.187 -8.954 16.892 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -2.634 -8.986 15.903 1.00 1.08 H new ATOM 0 HG2 LYS A 49 -1.168 -9.533 13.912 1.00 1.35 H new ATOM 0 HG3 LYS A 49 0.187 -9.670 15.013 1.00 1.35 H new ATOM 0 HD2 LYS A 49 -1.000 -11.458 16.263 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -2.368 -11.315 15.177 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -0.876 -11.901 13.250 1.00 2.40 H new ATOM 0 HE3 LYS A 49 0.466 -12.088 14.362 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -0.545 -14.208 13.845 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 -0.753 -13.853 15.492 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -2.052 -13.672 14.415 1.00 3.17 H new ATOM 808 N GLY A 50 0.971 -7.016 14.786 1.00 1.22 N ATOM 809 CA GLY A 50 2.356 -6.610 14.937 1.00 1.53 C ATOM 810 C GLY A 50 2.693 -5.385 14.110 1.00 1.14 C ATOM 811 O GLY A 50 3.625 -4.646 14.435 1.00 1.29 O ATOM 0 H GLY A 50 0.733 -7.383 13.865 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.558 -6.402 15.988 1.00 1.53 H new ATOM 0 HA3 GLY A 50 3.007 -7.433 14.644 1.00 1.53 H new ATOM 815 N GLY A 51 1.945 -5.179 13.031 1.00 0.77 N ATOM 816 CA GLY A 51 2.136 -4.007 12.198 1.00 0.65 C ATOM 817 C GLY A 51 3.134 -4.238 11.077 1.00 0.56 C ATOM 818 O GLY A 51 4.134 -3.524 10.971 1.00 0.60 O ATOM 0 H GLY A 51 1.205 -5.808 12.718 1.00 0.77 H new ATOM 0 HA2 GLY A 51 1.178 -3.711 11.770 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.478 -3.178 12.818 1.00 0.65 H new ATOM 822 N ARG A 52 2.868 -5.226 10.231 1.00 0.51 N ATOM 823 CA ARG A 52 3.770 -5.542 9.132 1.00 0.53 C ATOM 824 C ARG A 52 3.001 -6.034 7.906 1.00 0.50 C ATOM 825 O ARG A 52 1.904 -6.572 8.027 1.00 0.60 O ATOM 826 CB ARG A 52 4.764 -6.611 9.593 1.00 0.68 C ATOM 827 CG ARG A 52 4.078 -7.899 10.004 1.00 1.04 C ATOM 828 CD ARG A 52 4.988 -8.825 10.785 1.00 1.42 C ATOM 829 NE ARG A 52 4.263 -10.009 11.249 1.00 2.14 N ATOM 830 CZ ARG A 52 4.833 -11.156 11.602 1.00 2.80 C ATOM 831 NH1 ARG A 52 6.153 -11.294 11.567 1.00 2.98 N ATOM 832 NH2 ARG A 52 4.067 -12.166 11.997 1.00 3.72 N ATOM 0 H ARG A 52 2.040 -5.819 10.285 1.00 0.51 H new ATOM 0 HA ARG A 52 4.304 -4.636 8.846 1.00 0.53 H new ATOM 0 HB2 ARG A 52 5.469 -6.819 8.788 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.343 -6.227 10.433 1.00 0.68 H new ATOM 0 HG2 ARG A 52 3.203 -7.662 10.609 1.00 1.04 H new ATOM 0 HG3 ARG A 52 3.720 -8.415 9.113 1.00 1.04 H new ATOM 0 HD2 ARG A 52 5.826 -9.130 10.158 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.406 -8.293 11.639 1.00 1.42 H new ATOM 0 HE ARG A 52 3.246 -9.949 11.305 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.739 -10.515 11.267 1.00 2.98 H new ATOM 0 HH12 ARG A 52 6.581 -12.179 11.840 1.00 2.98 H new ATOM 0 HH21 ARG A 52 3.053 -12.056 12.027 1.00 3.72 H new ATOM 0 HH22 ARG A 52 4.492 -13.052 12.271 1.00 3.72 H new ATOM 846 N TRP A 53 3.574 -5.825 6.726 1.00 0.52 N ATOM 847 CA TRP A 53 3.021 -6.368 5.481 1.00 0.53 C ATOM 848 C TRP A 53 3.947 -7.457 4.959 1.00 0.57 C ATOM 849 O TRP A 53 5.069 -7.156 4.563 1.00 0.73 O ATOM 850 CB TRP A 53 2.914 -5.292 4.390 1.00 0.65 C ATOM 851 CG TRP A 53 1.932 -4.189 4.651 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.356 -3.850 5.837 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.424 -3.267 3.680 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.514 -2.778 5.661 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.537 -2.404 4.347 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.630 -3.092 2.310 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.138 -1.379 3.692 1.00 1.11 C ATOM 858 CZ3 TRP A 53 0.959 -2.075 1.660 1.00 1.20 C ATOM 859 CH2 TRP A 53 0.083 -1.230 2.351 1.00 1.28 C ATOM 0 H TRP A 53 4.427 -5.280 6.601 1.00 0.52 H new ATOM 0 HA TRP A 53 2.026 -6.754 5.703 1.00 0.53 H new ATOM 0 HB2 TRP A 53 3.899 -4.848 4.247 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.644 -5.778 3.453 1.00 0.65 H new ATOM 0 HD1 TRP A 53 1.534 -4.350 6.778 1.00 0.53 H new ATOM 0 HE1 TRP A 53 -0.039 -2.333 6.394 1.00 0.68 H new ATOM 0 HE3 TRP A 53 2.302 -3.741 1.768 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -0.813 -0.724 4.224 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 1.113 -1.929 0.601 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -0.429 -0.445 1.814 1.00 1.28 H new ATOM 870 N TYR A 54 3.511 -8.708 4.931 1.00 0.49 N ATOM 871 CA TYR A 54 4.426 -9.770 4.522 1.00 0.58 C ATOM 872 C TYR A 54 3.710 -10.951 3.882 1.00 0.49 C ATOM 873 O TYR A 54 2.482 -11.006 3.868 1.00 0.52 O ATOM 874 CB TYR A 54 5.280 -10.237 5.707 1.00 0.75 C ATOM 875 CG TYR A 54 4.548 -11.108 6.706 1.00 0.58 C ATOM 876 CD1 TYR A 54 4.851 -12.457 6.863 1.00 0.73 C ATOM 877 CD2 TYR A 54 3.538 -10.572 7.484 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.162 -13.239 7.774 1.00 1.06 C ATOM 879 CE2 TYR A 54 2.847 -11.341 8.393 1.00 0.95 C ATOM 880 CZ TYR A 54 3.244 -12.737 8.544 1.00 1.20 C ATOM 881 OH TYR A 54 2.465 -13.446 9.439 1.00 1.66 O ATOM 0 H TYR A 54 2.567 -9.008 5.176 1.00 0.49 H new ATOM 0 HA TYR A 54 5.078 -9.344 3.759 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.139 -10.789 5.324 1.00 0.75 H new ATOM 0 HB3 TYR A 54 5.669 -9.361 6.225 1.00 0.75 H new ATOM 0 HD1 TYR A 54 5.634 -12.900 6.266 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.286 -9.527 7.376 1.00 0.61 H new ATOM 0 HE1 TYR A 54 4.393 -14.291 7.846 1.00 1.06 H new ATOM 0 HE2 TYR A 54 2.038 -10.925 8.975 1.00 0.95 H new ATOM 0 HH TYR A 54 1.852 -12.833 9.896 1.00 1.66 H new ATOM 891 N GLU A 55 4.496 -11.908 3.370 1.00 0.52 N ATOM 892 CA GLU A 55 3.950 -12.999 2.562 1.00 0.56 C ATOM 893 C GLU A 55 4.520 -14.330 2.996 1.00 0.62 C ATOM 894 O GLU A 55 5.692 -14.419 3.337 1.00 0.81 O ATOM 895 CB GLU A 55 4.285 -12.781 1.087 1.00 0.73 C ATOM 896 CG GLU A 55 4.259 -11.331 0.683 1.00 0.81 C ATOM 897 CD GLU A 55 4.602 -11.142 -0.764 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.048 -11.883 -1.608 1.00 1.94 O ATOM 899 OE2 GLU A 55 5.427 -10.248 -1.065 1.00 2.12 O ATOM 0 H GLU A 55 5.507 -11.946 3.502 1.00 0.52 H new ATOM 0 HA GLU A 55 2.869 -13.008 2.702 1.00 0.56 H new ATOM 0 HB2 GLU A 55 5.273 -13.192 0.881 1.00 0.73 H new ATOM 0 HB3 GLU A 55 3.575 -13.336 0.474 1.00 0.73 H new ATOM 0 HG2 GLU A 55 3.269 -10.919 0.877 1.00 0.81 H new ATOM 0 HG3 GLU A 55 4.963 -10.771 1.298 1.00 0.81 H new ATOM 906 N ILE A 56 3.707 -15.366 2.972 1.00 0.63 N ATOM 907 CA ILE A 56 4.198 -16.690 3.295 1.00 0.68 C ATOM 908 C ILE A 56 4.848 -17.313 2.066 1.00 0.70 C ATOM 909 O ILE A 56 4.163 -17.724 1.126 1.00 0.80 O ATOM 910 CB ILE A 56 3.081 -17.622 3.819 1.00 0.83 C ATOM 911 CG1 ILE A 56 2.299 -16.946 4.951 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.671 -18.944 4.295 1.00 0.92 C ATOM 913 CD1 ILE A 56 3.174 -16.383 6.049 1.00 0.90 C ATOM 0 H ILE A 56 2.716 -15.319 2.736 1.00 0.63 H new ATOM 0 HA ILE A 56 4.932 -16.577 4.093 1.00 0.68 H new ATOM 0 HB ILE A 56 2.391 -17.825 3.000 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.695 -16.141 4.532 1.00 0.90 H new ATOM 0 HG13 ILE A 56 1.609 -17.669 5.385 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.872 -19.588 4.661 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.182 -19.434 3.466 1.00 0.92 H new ATOM 0 HG23 ILE A 56 4.382 -18.756 5.099 1.00 0.92 H new ATOM 0 HD11 ILE A 56 2.548 -15.921 6.813 1.00 0.90 H new ATOM 0 HD12 ILE A 56 3.759 -17.187 6.496 1.00 0.90 H new ATOM 0 HD13 ILE A 56 3.847 -15.635 5.630 1.00 0.90 H new ATOM 925 N ASP A 57 6.173 -17.328 2.056 1.00 0.65 N ATOM 926 CA ASP A 57 6.937 -18.009 1.013 1.00 0.72 C ATOM 927 C ASP A 57 6.733 -19.520 1.077 1.00 0.76 C ATOM 928 O ASP A 57 5.874 -20.023 1.802 1.00 0.96 O ATOM 929 CB ASP A 57 8.408 -17.731 1.220 1.00 0.84 C ATOM 930 CG ASP A 57 8.755 -17.944 2.656 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.629 -16.998 3.459 1.00 1.71 O ATOM 932 OD2 ASP A 57 9.214 -19.052 2.965 1.00 1.97 O ATOM 0 H ASP A 57 6.749 -16.873 2.764 1.00 0.65 H new ATOM 0 HA ASP A 57 6.594 -17.641 0.046 1.00 0.72 H new ATOM 0 HB2 ASP A 57 9.006 -18.388 0.589 1.00 0.84 H new ATOM 0 HB3 ASP A 57 8.641 -16.708 0.926 1.00 0.84 H new ATOM 937 N GLU A 58 7.541 -20.241 0.318 1.00 0.87 N ATOM 938 CA GLU A 58 7.447 -21.688 0.267 1.00 1.01 C ATOM 939 C GLU A 58 8.279 -22.400 1.347 1.00 1.04 C ATOM 940 O GLU A 58 7.926 -23.509 1.756 1.00 1.17 O ATOM 941 CB GLU A 58 7.851 -22.193 -1.117 1.00 1.35 C ATOM 942 CG GLU A 58 9.241 -21.764 -1.553 1.00 1.54 C ATOM 943 CD GLU A 58 9.634 -22.367 -2.884 1.00 2.04 C ATOM 944 OE1 GLU A 58 9.295 -21.778 -3.932 1.00 2.43 O ATOM 945 OE2 GLU A 58 10.296 -23.423 -2.894 1.00 2.21 O ATOM 0 H GLU A 58 8.272 -19.845 -0.273 1.00 0.87 H new ATOM 0 HA GLU A 58 6.404 -21.932 0.469 1.00 1.01 H new ATOM 0 HB2 GLU A 58 7.800 -23.282 -1.124 1.00 1.35 H new ATOM 0 HB3 GLU A 58 7.126 -21.835 -1.848 1.00 1.35 H new ATOM 0 HG2 GLU A 58 9.279 -20.677 -1.623 1.00 1.54 H new ATOM 0 HG3 GLU A 58 9.965 -22.060 -0.794 1.00 1.54 H new ATOM 952 N GLN A 59 9.373 -21.796 1.822 1.00 1.10 N ATOM 953 CA GLN A 59 10.354 -22.578 2.586 1.00 1.36 C ATOM 954 C GLN A 59 10.231 -22.405 4.102 1.00 1.39 C ATOM 955 O GLN A 59 10.557 -23.329 4.851 1.00 1.70 O ATOM 956 CB GLN A 59 11.794 -22.281 2.126 1.00 1.60 C ATOM 957 CG GLN A 59 12.513 -21.171 2.887 1.00 1.69 C ATOM 958 CD GLN A 59 11.984 -19.785 2.582 1.00 1.62 C ATOM 959 OE1 GLN A 59 12.001 -18.908 3.440 1.00 2.39 O ATOM 960 NE2 GLN A 59 11.549 -19.566 1.353 1.00 1.40 N ATOM 0 H GLN A 59 9.598 -20.809 1.699 1.00 1.10 H new ATOM 0 HA GLN A 59 10.122 -23.621 2.372 1.00 1.36 H new ATOM 0 HB2 GLN A 59 12.380 -23.196 2.213 1.00 1.60 H new ATOM 0 HB3 GLN A 59 11.771 -22.017 1.069 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.422 -21.358 3.957 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.575 -21.206 2.646 1.00 1.69 H new ATOM 0 HE21 GLN A 59 11.551 -20.322 0.669 1.00 1.40 H new ATOM 0 HE22 GLN A 59 11.211 -18.641 1.089 1.00 1.40 H new ATOM 969 N GLY A 60 9.756 -21.260 4.570 1.00 1.19 N ATOM 970 CA GLY A 60 9.611 -21.085 6.003 1.00 1.39 C ATOM 971 C GLY A 60 9.769 -19.651 6.462 1.00 1.45 C ATOM 972 O GLY A 60 10.489 -19.378 7.427 1.00 2.29 O ATOM 0 H GLY A 60 9.473 -20.464 3.999 1.00 1.19 H new ATOM 0 HA2 GLY A 60 8.629 -21.448 6.306 1.00 1.39 H new ATOM 0 HA3 GLY A 60 10.351 -21.703 6.512 1.00 1.39 H new ATOM 976 N GLU A 61 9.113 -18.749 5.754 1.00 1.11 N ATOM 977 CA GLU A 61 8.993 -17.351 6.147 1.00 1.15 C ATOM 978 C GLU A 61 10.291 -16.562 5.964 1.00 1.26 C ATOM 979 O GLU A 61 10.981 -16.230 6.925 1.00 1.72 O ATOM 980 CB GLU A 61 8.464 -17.204 7.576 1.00 1.33 C ATOM 981 CG GLU A 61 7.010 -17.618 7.720 1.00 1.38 C ATOM 982 CD GLU A 61 6.318 -16.891 8.850 1.00 1.69 C ATOM 983 OE1 GLU A 61 5.922 -17.560 9.825 1.00 1.77 O ATOM 984 OE2 GLU A 61 6.184 -15.651 8.783 1.00 2.31 O ATOM 0 H GLU A 61 8.641 -18.967 4.877 1.00 1.11 H new ATOM 0 HA GLU A 61 8.261 -16.916 5.466 1.00 1.15 H new ATOM 0 HB2 GLU A 61 9.075 -17.808 8.247 1.00 1.33 H new ATOM 0 HB3 GLU A 61 8.573 -16.167 7.892 1.00 1.33 H new ATOM 0 HG2 GLU A 61 6.483 -17.420 6.786 1.00 1.38 H new ATOM 0 HG3 GLU A 61 6.956 -18.693 7.895 1.00 1.38 H new ATOM 991 N GLU A 62 10.609 -16.277 4.711 1.00 1.06 N ATOM 992 CA GLU A 62 11.617 -15.292 4.365 1.00 1.20 C ATOM 993 C GLU A 62 10.963 -14.251 3.455 1.00 1.00 C ATOM 994 O GLU A 62 11.131 -14.254 2.230 1.00 1.08 O ATOM 995 CB GLU A 62 12.820 -15.958 3.682 1.00 1.54 C ATOM 996 CG GLU A 62 13.927 -14.993 3.281 1.00 1.98 C ATOM 997 CD GLU A 62 14.407 -14.135 4.431 1.00 2.16 C ATOM 998 OE1 GLU A 62 13.993 -12.964 4.512 1.00 2.61 O ATOM 999 OE2 GLU A 62 15.205 -14.622 5.258 1.00 2.56 O ATOM 0 H GLU A 62 10.173 -16.724 3.905 1.00 1.06 H new ATOM 0 HA GLU A 62 11.997 -14.807 5.264 1.00 1.20 H new ATOM 0 HB2 GLU A 62 13.235 -16.709 4.355 1.00 1.54 H new ATOM 0 HB3 GLU A 62 12.473 -16.484 2.793 1.00 1.54 H new ATOM 0 HG2 GLU A 62 14.768 -15.559 2.881 1.00 1.98 H new ATOM 0 HG3 GLU A 62 13.567 -14.348 2.479 1.00 1.98 H new ATOM 1006 N HIS A 63 10.152 -13.408 4.077 1.00 0.90 N ATOM 1007 CA HIS A 63 9.424 -12.353 3.402 1.00 0.85 C ATOM 1008 C HIS A 63 9.908 -10.967 3.813 1.00 0.92 C ATOM 1009 O HIS A 63 9.956 -10.647 5.002 1.00 1.22 O ATOM 1010 CB HIS A 63 7.955 -12.498 3.788 1.00 0.96 C ATOM 1011 CG HIS A 63 7.789 -13.022 5.190 1.00 1.85 C ATOM 1012 ND1 HIS A 63 8.148 -12.311 6.316 1.00 2.82 N ATOM 1013 CD2 HIS A 63 7.376 -14.230 5.633 1.00 2.22 C ATOM 1014 CE1 HIS A 63 7.964 -13.060 7.386 1.00 3.72 C ATOM 1015 NE2 HIS A 63 7.494 -14.229 7.002 1.00 3.37 N ATOM 0 H HIS A 63 9.981 -13.442 5.082 1.00 0.90 H new ATOM 0 HA HIS A 63 9.579 -12.446 2.327 1.00 0.85 H new ATOM 0 HB2 HIS A 63 7.460 -11.531 3.702 1.00 0.96 H new ATOM 0 HB3 HIS A 63 7.461 -13.172 3.088 1.00 0.96 H new ATOM 0 HD2 HIS A 63 7.019 -15.046 5.023 1.00 2.22 H new ATOM 0 HE1 HIS A 63 8.165 -12.765 8.405 1.00 3.72 H new ATOM 0 HE2 HIS A 63 7.257 -15.006 7.619 1.00 3.37 H new ATOM 1024 N THR A 64 10.263 -10.148 2.835 1.00 0.97 N ATOM 1025 CA THR A 64 10.452 -8.727 3.078 1.00 1.01 C ATOM 1026 C THR A 64 9.115 -8.138 3.508 1.00 1.50 C ATOM 1027 O THR A 64 8.077 -8.456 2.918 1.00 2.27 O ATOM 1028 CB THR A 64 10.969 -8.006 1.818 1.00 1.03 C ATOM 1029 OG1 THR A 64 12.008 -8.783 1.204 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.512 -6.630 2.170 1.00 1.44 C ATOM 0 H THR A 64 10.425 -10.441 1.871 1.00 0.97 H new ATOM 0 HA THR A 64 11.200 -8.591 3.859 1.00 1.01 H new ATOM 0 HB THR A 64 10.137 -7.890 1.124 1.00 1.03 H new ATOM 0 HG1 THR A 64 12.332 -8.321 0.403 1.00 1.77 H new ATOM 0 HG21 THR A 64 11.872 -6.139 1.266 1.00 1.44 H new ATOM 0 HG22 THR A 64 10.720 -6.030 2.619 1.00 1.44 H new ATOM 0 HG23 THR A 64 12.334 -6.734 2.878 1.00 1.44 H new ATOM 1038 N PHE A 65 9.120 -7.307 4.538 1.00 1.66 N ATOM 1039 CA PHE A 65 7.874 -6.853 5.128 1.00 2.32 C ATOM 1040 C PHE A 65 7.752 -5.337 5.138 1.00 1.96 C ATOM 1041 O PHE A 65 8.740 -4.620 5.301 1.00 2.43 O ATOM 1042 CB PHE A 65 7.722 -7.397 6.554 1.00 3.26 C ATOM 1043 CG PHE A 65 8.830 -7.002 7.495 1.00 4.27 C ATOM 1044 CD1 PHE A 65 10.013 -7.725 7.539 1.00 4.99 C ATOM 1045 CD2 PHE A 65 8.689 -5.904 8.329 1.00 4.69 C ATOM 1046 CE1 PHE A 65 11.031 -7.361 8.398 1.00 6.10 C ATOM 1047 CE2 PHE A 65 9.704 -5.536 9.190 1.00 5.77 C ATOM 1048 CZ PHE A 65 10.872 -6.280 9.238 1.00 6.48 C ATOM 0 H PHE A 65 9.963 -6.937 4.978 1.00 1.66 H new ATOM 0 HA PHE A 65 7.071 -7.242 4.502 1.00 2.32 H new ATOM 0 HB2 PHE A 65 6.774 -7.049 6.963 1.00 3.26 H new ATOM 0 HB3 PHE A 65 7.670 -8.485 6.511 1.00 3.26 H new ATOM 0 HD1 PHE A 65 10.139 -8.582 6.894 1.00 4.99 H new ATOM 0 HD2 PHE A 65 7.775 -5.330 8.305 1.00 4.69 H new ATOM 0 HE1 PHE A 65 11.953 -7.924 8.412 1.00 6.10 H new ATOM 0 HE2 PHE A 65 9.588 -4.670 9.825 1.00 5.77 H new ATOM 0 HZ PHE A 65 11.656 -6.014 9.932 1.00 6.48 H new ATOM 1058 N GLY A 66 6.530 -4.866 4.932 1.00 1.23 N ATOM 1059 CA GLY A 66 6.228 -3.467 5.129 1.00 0.93 C ATOM 1060 C GLY A 66 6.138 -3.160 6.604 1.00 0.80 C ATOM 1061 O GLY A 66 5.780 -4.032 7.397 1.00 0.96 O ATOM 0 H GLY A 66 5.739 -5.434 4.630 1.00 1.23 H new ATOM 0 HA2 GLY A 66 7.000 -2.852 4.668 1.00 0.93 H new ATOM 0 HA3 GLY A 66 5.287 -3.217 4.639 1.00 0.93 H new ATOM 1065 N LEU A 67 6.443 -1.937 6.980 1.00 0.64 N ATOM 1066 CA LEU A 67 6.563 -1.595 8.388 1.00 0.65 C ATOM 1067 C LEU A 67 5.500 -0.587 8.802 1.00 0.51 C ATOM 1068 O LEU A 67 5.678 0.619 8.648 1.00 0.54 O ATOM 1069 CB LEU A 67 7.977 -1.066 8.702 1.00 0.76 C ATOM 1070 CG LEU A 67 8.539 0.003 7.745 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.622 0.813 8.437 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.112 -0.635 6.480 1.00 1.14 C ATOM 0 H LEU A 67 6.612 -1.163 6.337 1.00 0.64 H new ATOM 0 HA LEU A 67 6.402 -2.503 8.969 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.970 -0.652 9.710 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.664 -1.912 8.710 1.00 0.76 H new ATOM 0 HG LEU A 67 7.717 0.660 7.462 1.00 0.64 H new ATOM 0 HD11 LEU A 67 10.010 1.564 7.749 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.203 1.306 9.314 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.431 0.151 8.745 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.501 0.144 5.824 1.00 1.14 H new ATOM 0 HD22 LEU A 67 9.917 -1.318 6.750 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.327 -1.186 5.963 1.00 1.14 H new ATOM 1084 N ILE A 68 4.387 -1.082 9.324 1.00 0.43 N ATOM 1085 CA ILE A 68 3.295 -0.212 9.730 1.00 0.38 C ATOM 1086 C ILE A 68 3.645 0.508 11.025 1.00 0.45 C ATOM 1087 O ILE A 68 4.120 -0.106 11.979 1.00 0.61 O ATOM 1088 CB ILE A 68 1.976 -0.985 9.938 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.661 -1.866 8.730 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.835 -0.012 10.187 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.408 -2.697 8.909 1.00 0.44 C ATOM 0 H ILE A 68 4.218 -2.076 9.475 1.00 0.43 H new ATOM 0 HA ILE A 68 3.151 0.505 8.922 1.00 0.38 H new ATOM 0 HB ILE A 68 2.092 -1.630 10.809 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.548 -1.235 7.848 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.505 -2.529 8.542 1.00 0.38 H new ATOM 0 HG21 ILE A 68 -0.092 -0.567 10.333 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.048 0.578 11.078 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.729 0.652 9.329 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.241 -3.300 8.016 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.526 -3.352 9.772 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.446 -2.038 9.067 1.00 0.44 H new ATOM 1103 N ARG A 69 3.421 1.809 11.048 1.00 0.43 N ATOM 1104 CA ARG A 69 3.683 2.602 12.236 1.00 0.55 C ATOM 1105 C ARG A 69 2.366 2.935 12.934 1.00 0.51 C ATOM 1106 O ARG A 69 2.330 3.167 14.143 1.00 0.67 O ATOM 1107 CB ARG A 69 4.417 3.900 11.879 1.00 0.70 C ATOM 1108 CG ARG A 69 5.460 3.762 10.776 1.00 1.19 C ATOM 1109 CD ARG A 69 6.506 2.697 11.077 1.00 0.74 C ATOM 1110 NE ARG A 69 7.256 2.965 12.302 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.530 3.360 12.325 1.00 1.35 C ATOM 1112 NH1 ARG A 69 9.157 3.680 11.198 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.169 3.458 13.481 1.00 1.83 N ATOM 0 H ARG A 69 3.058 2.340 10.257 1.00 0.43 H new ATOM 0 HA ARG A 69 4.317 2.019 12.904 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.682 4.644 11.573 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.905 4.283 12.775 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.960 3.518 9.839 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.957 4.721 10.631 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.015 1.727 11.162 1.00 0.74 H new ATOM 0 HD3 ARG A 69 7.200 2.630 10.239 1.00 0.74 H new ATOM 0 HE ARG A 69 6.776 2.843 13.194 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.664 3.625 10.307 1.00 2.00 H new ATOM 0 HH12 ARG A 69 10.131 3.981 11.224 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.687 3.232 14.351 1.00 1.83 H new ATOM 0 HH22 ARG A 69 10.143 3.760 13.501 1.00 1.83 H new ATOM 1127 N LYS A 70 1.284 2.948 12.162 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.034 3.288 12.687 1.00 0.41 C ATOM 1129 C LYS A 70 -1.129 2.484 11.992 1.00 0.35 C ATOM 1130 O LYS A 70 -1.346 2.627 10.787 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.302 4.787 12.511 1.00 0.53 C ATOM 1132 CG LYS A 70 -1.733 5.207 12.827 1.00 0.62 C ATOM 1133 CD LYS A 70 -1.947 6.690 12.572 1.00 0.99 C ATOM 1134 CE LYS A 70 -3.400 7.088 12.773 1.00 1.08 C ATOM 1135 NZ LYS A 70 -3.632 8.528 12.484 1.00 1.53 N ATOM 0 H LYS A 70 1.294 2.726 11.167 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.047 3.039 13.748 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.379 5.344 13.154 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.071 5.068 11.483 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.426 4.628 12.217 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -1.959 4.980 13.869 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.314 7.270 13.243 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -1.640 6.933 11.555 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -4.034 6.482 12.125 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -3.695 6.873 13.800 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -3.916 9.016 13.357 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -2.757 8.954 12.118 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -4.386 8.622 11.774 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.805 1.638 12.758 1.00 0.35 N ATOM 1150 CA VAL A 71 -2.971 0.912 12.267 1.00 0.36 C ATOM 1151 C VAL A 71 -4.224 1.531 12.846 1.00 0.37 C ATOM 1152 O VAL A 71 -4.653 1.190 13.951 1.00 0.47 O ATOM 1153 CB VAL A 71 -2.926 -0.596 12.622 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.124 -1.327 12.027 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.627 -1.234 12.149 1.00 0.77 C ATOM 0 H VAL A 71 -1.564 1.436 13.728 1.00 0.35 H new ATOM 0 HA VAL A 71 -2.971 0.988 11.180 1.00 0.36 H new ATOM 0 HB VAL A 71 -2.971 -0.683 13.708 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.072 -2.384 12.289 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.045 -0.900 12.424 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.113 -1.221 10.942 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.624 -2.292 12.412 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.543 -1.129 11.067 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.783 -0.739 12.629 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.782 2.479 12.118 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.001 3.121 12.548 1.00 0.36 C ATOM 1167 C ASP A 72 -7.157 2.628 11.705 1.00 0.35 C ATOM 1168 O ASP A 72 -7.296 3.016 10.540 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.894 4.642 12.464 1.00 0.41 C ATOM 1170 CG ASP A 72 -6.658 5.332 13.574 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -7.887 5.494 13.452 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -6.025 5.717 14.580 1.00 1.42 O ATOM 0 H ASP A 72 -4.410 2.818 11.231 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.174 2.862 13.593 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.845 4.934 12.512 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.275 4.978 11.500 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.903 1.698 12.296 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.187 1.199 11.771 1.00 0.39 C ATOM 1179 C GLU A 73 -9.878 2.208 10.861 1.00 0.38 C ATOM 1180 O GLU A 73 -9.841 3.403 11.141 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.113 0.909 12.932 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.452 2.165 13.717 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.272 1.892 14.955 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -10.891 2.373 16.045 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.291 1.181 14.849 1.00 0.92 O ATOM 0 H GLU A 73 -7.632 1.255 13.174 1.00 0.38 H new ATOM 0 HA GLU A 73 -8.972 0.303 11.188 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.031 0.456 12.559 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -9.645 0.182 13.596 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.528 2.666 14.005 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.999 2.852 13.071 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.625 1.708 9.851 1.00 0.33 N ATOM 1193 CA PRO A 74 -11.055 2.461 8.685 1.00 0.32 C ATOM 1194 C PRO A 74 -10.998 3.976 8.846 1.00 0.31 C ATOM 1195 O PRO A 74 -12.006 4.625 9.111 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.479 1.961 8.494 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.424 0.523 8.914 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.201 0.358 9.799 1.00 0.38 C ATOM 0 HA PRO A 74 -10.397 2.301 7.831 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.185 2.527 9.102 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.800 2.061 7.457 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.329 0.245 9.454 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.359 -0.130 8.043 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -11.471 -0.001 10.792 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -10.498 -0.362 9.380 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.784 4.505 8.728 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.530 5.935 8.847 1.00 0.31 C ATOM 1208 C ASP A 75 -8.153 6.284 8.291 1.00 0.30 C ATOM 1209 O ASP A 75 -8.052 7.010 7.299 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.628 6.383 10.310 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.405 7.877 10.488 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.250 8.288 10.740 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.382 8.649 10.398 1.00 0.50 O ATOM 0 H ASP A 75 -8.947 3.951 8.547 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.289 6.461 8.267 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.611 6.118 10.701 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -8.892 5.838 10.902 1.00 0.34 H new ATOM 1218 N THR A 76 -7.092 5.753 8.903 1.00 0.28 N ATOM 1219 CA THR A 76 -5.732 6.115 8.509 1.00 0.29 C ATOM 1220 C THR A 76 -4.740 4.973 8.733 1.00 0.29 C ATOM 1221 O THR A 76 -4.823 4.242 9.714 1.00 0.35 O ATOM 1222 CB THR A 76 -5.248 7.366 9.273 1.00 0.32 C ATOM 1223 OG1 THR A 76 -5.766 7.364 10.609 1.00 0.34 O ATOM 1224 CG2 THR A 76 -5.666 8.643 8.558 1.00 0.35 C ATOM 0 H THR A 76 -7.148 5.078 9.665 1.00 0.28 H new ATOM 0 HA THR A 76 -5.769 6.331 7.441 1.00 0.29 H new ATOM 0 HB THR A 76 -4.159 7.335 9.310 1.00 0.32 H new ATOM 0 HG1 THR A 76 -6.628 7.829 10.626 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.311 9.507 9.119 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.234 8.658 7.557 1.00 0.35 H new ATOM 0 HG23 THR A 76 -6.753 8.680 8.484 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.801 4.819 7.809 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.776 3.790 7.931 1.00 0.31 C ATOM 1234 C LEU A 77 -1.408 4.376 7.611 1.00 0.33 C ATOM 1235 O LEU A 77 -1.164 4.802 6.486 1.00 0.41 O ATOM 1236 CB LEU A 77 -3.042 2.607 6.984 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.472 2.061 6.953 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.345 2.884 6.021 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.471 0.604 6.526 1.00 0.69 C ATOM 0 H LEU A 77 -3.727 5.392 6.968 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.801 3.426 8.958 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.772 2.913 5.973 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.372 1.792 7.260 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.886 2.131 7.959 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.356 2.477 6.016 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.372 3.918 6.366 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.934 2.849 5.012 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.494 0.229 6.509 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -4.036 0.517 5.531 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.882 0.018 7.232 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.527 4.415 8.597 1.00 0.32 N ATOM 1252 CA VAL A 78 0.841 4.860 8.370 1.00 0.36 C ATOM 1253 C VAL A 78 1.737 3.646 8.174 1.00 0.34 C ATOM 1254 O VAL A 78 2.001 2.902 9.116 1.00 0.36 O ATOM 1255 CB VAL A 78 1.377 5.722 9.532 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.794 6.195 9.241 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.460 6.910 9.787 1.00 0.67 C ATOM 0 H VAL A 78 -0.732 4.145 9.559 1.00 0.32 H new ATOM 0 HA VAL A 78 0.844 5.484 7.476 1.00 0.36 H new ATOM 0 HB VAL A 78 1.399 5.106 10.431 1.00 0.43 H new ATOM 0 HG11 VAL A 78 3.153 6.801 10.073 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.447 5.331 9.113 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.798 6.792 8.329 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.856 7.505 10.610 1.00 0.67 H new ATOM 0 HG22 VAL A 78 0.403 7.525 8.889 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.537 6.552 10.045 1.00 0.67 H new ATOM 1267 N ILE A 79 2.178 3.441 6.948 1.00 0.35 N ATOM 1268 CA ILE A 79 2.901 2.231 6.575 1.00 0.39 C ATOM 1269 C ILE A 79 4.244 2.561 5.909 1.00 0.40 C ATOM 1270 O ILE A 79 4.310 3.397 5.017 1.00 0.43 O ATOM 1271 CB ILE A 79 2.005 1.339 5.658 1.00 0.48 C ATOM 1272 CG1 ILE A 79 2.811 0.608 4.585 1.00 0.75 C ATOM 1273 CG2 ILE A 79 0.899 2.156 5.009 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.622 -0.545 5.103 1.00 0.67 C ATOM 0 H ILE A 79 2.048 4.102 6.182 1.00 0.35 H new ATOM 0 HA ILE A 79 3.131 1.670 7.481 1.00 0.39 H new ATOM 0 HB ILE A 79 1.558 0.585 6.306 1.00 0.48 H new ATOM 0 HG12 ILE A 79 2.127 0.242 3.819 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.480 1.320 4.101 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.292 1.509 4.377 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.272 2.599 5.783 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.339 2.947 4.402 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.163 -1.009 4.278 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.333 -0.185 5.847 1.00 0.67 H new ATOM 0 HD13 ILE A 79 2.959 -1.280 5.561 1.00 0.67 H new ATOM 1286 N GLY A 80 5.310 1.917 6.388 1.00 0.42 N ATOM 1287 CA GLY A 80 6.640 2.099 5.823 1.00 0.46 C ATOM 1288 C GLY A 80 6.881 1.213 4.613 1.00 0.46 C ATOM 1289 O GLY A 80 6.354 0.106 4.530 1.00 0.50 O ATOM 0 H GLY A 80 5.273 1.263 7.170 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.771 3.143 5.538 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.388 1.881 6.585 1.00 0.46 H new ATOM 1293 N TRP A 81 7.737 1.668 3.718 1.00 0.50 N ATOM 1294 CA TRP A 81 7.797 1.134 2.366 1.00 0.51 C ATOM 1295 C TRP A 81 8.613 -0.160 2.246 1.00 0.53 C ATOM 1296 O TRP A 81 9.614 -0.348 2.937 1.00 0.81 O ATOM 1297 CB TRP A 81 8.365 2.217 1.464 1.00 0.74 C ATOM 1298 CG TRP A 81 8.315 1.903 0.017 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.355 1.962 -0.855 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.172 1.490 -0.731 1.00 1.40 C ATOM 1301 NE1 TRP A 81 8.936 1.621 -2.107 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.589 1.326 -2.060 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.832 1.245 -0.405 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 6.712 0.929 -3.065 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 4.966 0.849 -1.403 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.409 0.695 -2.721 1.00 2.79 C ATOM 0 H TRP A 81 8.408 2.414 3.903 1.00 0.50 H new ATOM 0 HA TRP A 81 6.787 0.858 2.065 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.817 3.143 1.641 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.401 2.401 1.747 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.366 2.239 -0.595 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.522 1.589 -2.941 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.483 1.364 0.610 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.049 0.809 -4.084 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 3.931 0.655 -1.163 1.00 2.78 H new ATOM 0 HH2 TRP A 81 4.708 0.385 -3.482 1.00 2.79 H new ATOM 1317 N ARG A 82 8.170 -1.036 1.332 1.00 0.54 N ATOM 1318 CA ARG A 82 8.813 -2.335 1.105 1.00 0.74 C ATOM 1319 C ARG A 82 8.878 -2.685 -0.398 1.00 0.81 C ATOM 1320 O ARG A 82 9.515 -3.666 -0.772 1.00 1.47 O ATOM 1321 CB ARG A 82 8.043 -3.424 1.861 1.00 1.06 C ATOM 1322 CG ARG A 82 8.681 -4.807 1.797 1.00 1.64 C ATOM 1323 CD ARG A 82 7.662 -5.876 1.436 1.00 2.68 C ATOM 1324 NE ARG A 82 7.394 -5.933 0.000 1.00 3.63 N ATOM 1325 CZ ARG A 82 6.887 -6.999 -0.621 1.00 4.53 C ATOM 1326 NH1 ARG A 82 6.607 -8.104 0.062 1.00 4.80 N ATOM 1327 NH2 ARG A 82 6.674 -6.959 -1.928 1.00 5.46 N ATOM 0 H ARG A 82 7.362 -0.864 0.734 1.00 0.54 H new ATOM 0 HA ARG A 82 9.836 -2.276 1.475 1.00 0.74 H new ATOM 0 HB2 ARG A 82 7.951 -3.128 2.906 1.00 1.06 H new ATOM 0 HB3 ARG A 82 7.033 -3.484 1.457 1.00 1.06 H new ATOM 0 HG2 ARG A 82 9.484 -4.805 1.060 1.00 1.64 H new ATOM 0 HG3 ARG A 82 9.133 -5.045 2.760 1.00 1.64 H new ATOM 0 HD2 ARG A 82 8.024 -6.847 1.773 1.00 2.68 H new ATOM 0 HD3 ARG A 82 6.731 -5.680 1.968 1.00 2.68 H new ATOM 0 HE ARG A 82 7.608 -5.108 -0.561 1.00 3.63 H new ATOM 0 HH11 ARG A 82 6.780 -8.140 1.067 1.00 4.80 H new ATOM 0 HH12 ARG A 82 6.219 -8.916 -0.418 1.00 4.80 H new ATOM 0 HH21 ARG A 82 6.898 -6.115 -2.456 1.00 5.46 H new ATOM 0 HH22 ARG A 82 6.286 -7.772 -2.407 1.00 5.46 H new ATOM 1341 N LEU A 83 8.204 -1.872 -1.231 1.00 0.79 N ATOM 1342 CA LEU A 83 8.154 -2.012 -2.715 1.00 0.86 C ATOM 1343 C LEU A 83 8.109 -3.466 -3.254 1.00 0.81 C ATOM 1344 O LEU A 83 7.713 -4.395 -2.548 1.00 1.21 O ATOM 1345 CB LEU A 83 9.259 -1.165 -3.404 1.00 1.23 C ATOM 1346 CG LEU A 83 10.642 -1.112 -2.751 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.270 -2.477 -2.696 1.00 1.55 C ATOM 1348 CD2 LEU A 83 11.548 -0.175 -3.530 1.00 1.28 C ATOM 0 H LEU A 83 7.662 -1.077 -0.892 1.00 0.79 H new ATOM 0 HA LEU A 83 7.181 -1.607 -2.992 1.00 0.86 H new ATOM 0 HB2 LEU A 83 9.384 -1.543 -4.419 1.00 1.23 H new ATOM 0 HB3 LEU A 83 8.891 -0.142 -3.488 1.00 1.23 H new ATOM 0 HG LEU A 83 10.517 -0.745 -1.732 1.00 1.13 H new ATOM 0 HD11 LEU A 83 12.251 -2.407 -2.227 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.636 -3.146 -2.114 1.00 1.55 H new ATOM 0 HD13 LEU A 83 11.378 -2.869 -3.707 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.530 -0.143 -3.058 1.00 1.28 H new ATOM 0 HD22 LEU A 83 11.649 -0.534 -4.554 1.00 1.28 H new ATOM 0 HD23 LEU A 83 11.116 0.826 -3.537 1.00 1.28 H new ATOM 1360 N ASN A 84 8.462 -3.634 -4.539 1.00 0.76 N ATOM 1361 CA ASN A 84 8.309 -4.900 -5.249 1.00 1.00 C ATOM 1362 C ASN A 84 9.630 -5.308 -5.863 1.00 1.25 C ATOM 1363 O ASN A 84 10.303 -4.480 -6.476 1.00 1.93 O ATOM 1364 CB ASN A 84 7.289 -4.760 -6.382 1.00 1.26 C ATOM 1365 CG ASN A 84 5.854 -4.621 -5.917 1.00 1.08 C ATOM 1366 OD1 ASN A 84 5.480 -5.116 -4.859 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.038 -3.950 -6.724 1.00 0.94 N ATOM 0 H ASN A 84 8.862 -2.889 -5.110 1.00 0.76 H new ATOM 0 HA ASN A 84 7.970 -5.649 -4.533 1.00 1.00 H new ATOM 0 HB2 ASN A 84 7.549 -3.889 -6.984 1.00 1.26 H new ATOM 0 HB3 ASN A 84 7.365 -5.631 -7.033 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.057 -3.830 -6.472 1.00 0.94 H new ATOM 0 HD22 ASN A 84 5.393 -3.555 -7.595 1.00 0.94 H new ATOM 1374 N GLY A 85 9.985 -6.578 -5.718 1.00 1.69 N ATOM 1375 CA GLY A 85 11.233 -7.078 -6.268 1.00 2.21 C ATOM 1376 C GLY A 85 11.268 -7.073 -7.788 1.00 1.96 C ATOM 1377 O GLY A 85 10.999 -8.089 -8.426 1.00 2.40 O ATOM 0 H GLY A 85 9.427 -7.276 -5.226 1.00 1.69 H new ATOM 0 HA2 GLY A 85 12.056 -6.471 -5.891 1.00 2.21 H new ATOM 0 HA3 GLY A 85 11.397 -8.095 -5.912 1.00 2.21 H new ATOM 1381 N PHE A 86 11.559 -5.912 -8.361 1.00 1.79 N ATOM 1382 CA PHE A 86 11.791 -5.785 -9.799 1.00 2.29 C ATOM 1383 C PHE A 86 13.113 -5.066 -10.061 1.00 2.14 C ATOM 1384 O PHE A 86 13.314 -4.471 -11.120 1.00 2.77 O ATOM 1385 CB PHE A 86 10.646 -5.020 -10.472 1.00 3.16 C ATOM 1386 CG PHE A 86 9.354 -5.783 -10.536 1.00 3.79 C ATOM 1387 CD1 PHE A 86 8.293 -5.446 -9.714 1.00 4.45 C ATOM 1388 CD2 PHE A 86 9.200 -6.837 -11.424 1.00 4.03 C ATOM 1389 CE1 PHE A 86 7.102 -6.142 -9.774 1.00 5.26 C ATOM 1390 CE2 PHE A 86 8.011 -7.539 -11.489 1.00 4.80 C ATOM 1391 CZ PHE A 86 6.961 -7.191 -10.663 1.00 5.38 C ATOM 0 H PHE A 86 11.641 -5.035 -7.847 1.00 1.79 H new ATOM 0 HA PHE A 86 11.837 -6.788 -10.223 1.00 2.29 H new ATOM 0 HB2 PHE A 86 10.479 -4.088 -9.932 1.00 3.16 H new ATOM 0 HB3 PHE A 86 10.948 -4.752 -11.484 1.00 3.16 H new ATOM 0 HD1 PHE A 86 8.398 -4.628 -9.017 1.00 4.45 H new ATOM 0 HD2 PHE A 86 10.019 -7.113 -12.072 1.00 4.03 H new ATOM 0 HE1 PHE A 86 6.282 -5.867 -9.127 1.00 5.26 H new ATOM 0 HE2 PHE A 86 7.904 -8.358 -12.185 1.00 4.80 H new ATOM 0 HZ PHE A 86 6.031 -7.738 -10.711 1.00 5.38 H new ATOM 1401 N GLY A 87 14.013 -5.132 -9.091 1.00 1.90 N ATOM 1402 CA GLY A 87 15.288 -4.443 -9.204 1.00 2.08 C ATOM 1403 C GLY A 87 15.364 -3.315 -8.207 1.00 1.87 C ATOM 1404 O GLY A 87 16.014 -2.296 -8.436 1.00 2.30 O ATOM 0 H GLY A 87 13.885 -5.652 -8.223 1.00 1.90 H new ATOM 0 HA2 GLY A 87 16.104 -5.144 -9.032 1.00 2.08 H new ATOM 0 HA3 GLY A 87 15.410 -4.053 -10.214 1.00 2.08 H new ATOM 1408 N ARG A 88 14.691 -3.522 -7.093 1.00 1.33 N ATOM 1409 CA ARG A 88 14.485 -2.501 -6.095 1.00 1.18 C ATOM 1410 C ARG A 88 15.477 -2.587 -4.948 1.00 1.09 C ATOM 1411 O ARG A 88 16.160 -3.592 -4.760 1.00 1.21 O ATOM 1412 CB ARG A 88 13.078 -2.674 -5.535 1.00 0.98 C ATOM 1413 CG ARG A 88 12.777 -4.109 -5.094 1.00 1.64 C ATOM 1414 CD ARG A 88 13.450 -4.483 -3.777 1.00 2.32 C ATOM 1415 NE ARG A 88 14.055 -5.813 -3.824 1.00 3.00 N ATOM 1416 CZ ARG A 88 14.515 -6.468 -2.756 1.00 3.96 C ATOM 1417 NH1 ARG A 88 14.393 -5.943 -1.543 1.00 4.44 N ATOM 1418 NH2 ARG A 88 15.094 -7.652 -2.903 1.00 4.77 N ATOM 0 H ARG A 88 14.267 -4.419 -6.856 1.00 1.33 H new ATOM 0 HA ARG A 88 14.626 -1.531 -6.571 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.947 -2.004 -4.685 1.00 0.98 H new ATOM 0 HB3 ARG A 88 12.353 -2.374 -6.292 1.00 0.98 H new ATOM 0 HG2 ARG A 88 11.699 -4.233 -4.992 1.00 1.64 H new ATOM 0 HG3 ARG A 88 13.105 -4.798 -5.872 1.00 1.64 H new ATOM 0 HD2 ARG A 88 14.217 -3.745 -3.540 1.00 2.32 H new ATOM 0 HD3 ARG A 88 12.715 -4.448 -2.973 1.00 2.32 H new ATOM 0 HE ARG A 88 14.131 -6.270 -4.733 1.00 3.00 H new ATOM 0 HH11 ARG A 88 13.946 -5.034 -1.423 1.00 4.44 H new ATOM 0 HH12 ARG A 88 14.747 -6.448 -0.731 1.00 4.44 H new ATOM 0 HH21 ARG A 88 15.188 -8.062 -3.832 1.00 4.77 H new ATOM 0 HH22 ARG A 88 15.446 -8.153 -2.087 1.00 4.77 H new ATOM 1432 N ILE A 89 15.550 -1.501 -4.211 1.00 1.08 N ATOM 1433 CA ILE A 89 16.071 -1.504 -2.859 1.00 1.08 C ATOM 1434 C ILE A 89 14.947 -1.082 -1.918 1.00 1.04 C ATOM 1435 O ILE A 89 14.296 -0.064 -2.157 1.00 1.15 O ATOM 1436 CB ILE A 89 17.304 -0.573 -2.731 1.00 1.29 C ATOM 1437 CG1 ILE A 89 17.588 -0.161 -1.265 1.00 1.86 C ATOM 1438 CG2 ILE A 89 17.124 0.642 -3.617 1.00 1.11 C ATOM 1439 CD1 ILE A 89 16.853 1.085 -0.788 1.00 1.70 C ATOM 0 H ILE A 89 15.247 -0.582 -4.535 1.00 1.08 H new ATOM 0 HA ILE A 89 16.413 -2.504 -2.593 1.00 1.08 H new ATOM 0 HB ILE A 89 18.178 -1.132 -3.064 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.322 -0.993 -0.613 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.660 0.003 -1.151 1.00 1.86 H new ATOM 0 HG21 ILE A 89 17.993 1.293 -3.523 1.00 1.11 H new ATOM 0 HG22 ILE A 89 17.019 0.324 -4.654 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.230 1.185 -3.312 1.00 1.11 H new ATOM 0 HD11 ILE A 89 17.119 1.289 0.249 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.136 1.935 -1.409 1.00 1.70 H new ATOM 0 HD13 ILE A 89 15.778 0.924 -0.862 1.00 1.70 H new ATOM 1451 N ASP A 90 14.689 -1.856 -0.876 1.00 1.05 N ATOM 1452 CA ASP A 90 13.638 -1.501 0.067 1.00 1.15 C ATOM 1453 C ASP A 90 14.229 -0.656 1.188 1.00 1.01 C ATOM 1454 O ASP A 90 15.328 -0.936 1.673 1.00 1.14 O ATOM 1455 CB ASP A 90 12.934 -2.747 0.631 1.00 1.54 C ATOM 1456 CG ASP A 90 13.844 -3.639 1.460 1.00 2.36 C ATOM 1457 OD1 ASP A 90 13.759 -3.585 2.709 1.00 2.64 O ATOM 1458 OD2 ASP A 90 14.662 -4.375 0.878 1.00 3.18 O ATOM 0 H ASP A 90 15.184 -2.722 -0.662 1.00 1.05 H new ATOM 0 HA ASP A 90 12.881 -0.922 -0.461 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.091 -2.431 1.246 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.525 -3.328 -0.196 1.00 1.54 H new ATOM 1463 N PRO A 91 13.523 0.416 1.575 1.00 1.32 N ATOM 1464 CA PRO A 91 13.981 1.340 2.617 1.00 1.52 C ATOM 1465 C PRO A 91 14.267 0.629 3.929 1.00 1.24 C ATOM 1466 O PRO A 91 15.256 0.929 4.598 1.00 1.58 O ATOM 1467 CB PRO A 91 12.808 2.304 2.785 1.00 2.16 C ATOM 1468 CG PRO A 91 12.074 2.231 1.494 1.00 2.36 C ATOM 1469 CD PRO A 91 12.224 0.816 1.016 1.00 1.92 C ATOM 0 HA PRO A 91 14.915 1.829 2.342 1.00 1.52 H new ATOM 0 HB2 PRO A 91 12.171 2.012 3.620 1.00 2.16 H new ATOM 0 HB3 PRO A 91 13.154 3.318 2.988 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.023 2.489 1.627 1.00 2.36 H new ATOM 0 HG3 PRO A 91 12.486 2.934 0.770 1.00 2.36 H new ATOM 0 HD2 PRO A 91 11.416 0.180 1.377 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.216 0.754 -0.072 1.00 1.92 H new ATOM 1477 N ASP A 92 13.364 -0.283 4.300 1.00 1.06 N ATOM 1478 CA ASP A 92 13.528 -1.155 5.467 1.00 1.34 C ATOM 1479 C ASP A 92 13.369 -0.406 6.789 1.00 1.18 C ATOM 1480 O ASP A 92 12.931 -0.981 7.787 1.00 1.61 O ATOM 1481 CB ASP A 92 14.887 -1.870 5.412 1.00 1.93 C ATOM 1482 CG ASP A 92 15.289 -2.493 6.737 1.00 2.60 C ATOM 1483 OD1 ASP A 92 14.761 -3.569 7.085 1.00 2.98 O ATOM 1484 OD2 ASP A 92 16.154 -1.917 7.432 1.00 2.99 O ATOM 0 H ASP A 92 12.492 -0.438 3.795 1.00 1.06 H new ATOM 0 HA ASP A 92 12.729 -1.896 5.427 1.00 1.34 H new ATOM 0 HB2 ASP A 92 14.851 -2.647 4.649 1.00 1.93 H new ATOM 0 HB3 ASP A 92 15.653 -1.158 5.106 1.00 1.93 H new ATOM 1489 N ASN A 93 13.689 0.876 6.800 1.00 1.06 N ATOM 1490 CA ASN A 93 13.755 1.611 8.049 1.00 1.26 C ATOM 1491 C ASN A 93 12.861 2.843 8.041 1.00 1.04 C ATOM 1492 O ASN A 93 12.663 3.469 9.082 1.00 1.49 O ATOM 1493 CB ASN A 93 15.209 1.996 8.326 1.00 1.65 C ATOM 1494 CG ASN A 93 15.675 3.214 7.550 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.540 4.348 8.008 1.00 3.06 O ATOM 1496 ND2 ASN A 93 16.246 2.988 6.376 1.00 2.21 N ATOM 0 H ASN A 93 13.905 1.424 5.967 1.00 1.06 H new ATOM 0 HA ASN A 93 13.385 0.966 8.846 1.00 1.26 H new ATOM 0 HB2 ASN A 93 15.328 2.188 9.392 1.00 1.65 H new ATOM 0 HB3 ASN A 93 15.853 1.151 8.080 1.00 1.65 H new ATOM 0 HD21 ASN A 93 16.592 3.769 5.818 1.00 2.21 H new ATOM 0 HD22 ASN A 93 16.340 2.033 6.030 1.00 2.21 H new ATOM 1503 N SER A 94 12.301 3.174 6.887 1.00 0.68 N ATOM 1504 CA SER A 94 11.481 4.368 6.766 1.00 0.77 C ATOM 1505 C SER A 94 10.612 4.310 5.512 1.00 0.72 C ATOM 1506 O SER A 94 10.190 3.228 5.090 1.00 1.22 O ATOM 1507 CB SER A 94 12.376 5.609 6.741 1.00 1.19 C ATOM 1508 OG SER A 94 13.330 5.538 5.696 1.00 1.85 O ATOM 0 H SER A 94 12.399 2.636 6.026 1.00 0.68 H new ATOM 0 HA SER A 94 10.818 4.423 7.629 1.00 0.77 H new ATOM 0 HB2 SER A 94 11.761 6.500 6.614 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.889 5.709 7.698 1.00 1.19 H new ATOM 0 HG SER A 94 13.916 6.322 5.734 1.00 1.85 H new ATOM 1514 N SER A 95 10.357 5.483 4.929 1.00 0.60 N ATOM 1515 CA SER A 95 9.478 5.621 3.776 1.00 0.67 C ATOM 1516 C SER A 95 8.041 5.316 4.163 1.00 0.70 C ATOM 1517 O SER A 95 7.311 4.648 3.435 1.00 1.27 O ATOM 1518 CB SER A 95 9.922 4.729 2.620 1.00 0.93 C ATOM 1519 OG SER A 95 11.087 5.233 2.003 1.00 1.44 O ATOM 0 H SER A 95 10.758 6.365 5.248 1.00 0.60 H new ATOM 0 HA SER A 95 9.538 6.655 3.436 1.00 0.67 H new ATOM 0 HB2 SER A 95 10.110 3.720 2.987 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.121 4.657 1.885 1.00 0.93 H new ATOM 0 HG SER A 95 11.172 4.852 1.104 1.00 1.44 H new ATOM 1525 N GLU A 96 7.645 5.826 5.310 1.00 0.48 N ATOM 1526 CA GLU A 96 6.285 5.707 5.778 1.00 0.45 C ATOM 1527 C GLU A 96 5.366 6.573 4.928 1.00 0.45 C ATOM 1528 O GLU A 96 5.733 7.681 4.526 1.00 0.60 O ATOM 1529 CB GLU A 96 6.181 6.137 7.244 1.00 0.56 C ATOM 1530 CG GLU A 96 7.108 5.382 8.187 1.00 1.11 C ATOM 1531 CD GLU A 96 8.531 5.917 8.203 1.00 1.30 C ATOM 1532 OE1 GLU A 96 8.829 6.816 7.394 1.00 1.81 O ATOM 1533 OE2 GLU A 96 9.357 5.435 9.012 1.00 1.33 O ATOM 0 H GLU A 96 8.261 6.336 5.944 1.00 0.48 H new ATOM 0 HA GLU A 96 5.982 4.663 5.694 1.00 0.45 H new ATOM 0 HB2 GLU A 96 6.400 7.202 7.314 1.00 0.56 H new ATOM 0 HB3 GLU A 96 5.153 6.000 7.578 1.00 0.56 H new ATOM 0 HG2 GLU A 96 6.701 5.428 9.197 1.00 1.11 H new ATOM 0 HG3 GLU A 96 7.128 4.331 7.899 1.00 1.11 H new ATOM 1540 N PHE A 97 4.201 6.051 4.613 1.00 0.39 N ATOM 1541 CA PHE A 97 3.179 6.837 3.949 1.00 0.40 C ATOM 1542 C PHE A 97 1.872 6.750 4.711 1.00 0.41 C ATOM 1543 O PHE A 97 1.400 5.662 5.038 1.00 0.53 O ATOM 1544 CB PHE A 97 2.996 6.415 2.483 1.00 0.51 C ATOM 1545 CG PHE A 97 3.093 4.937 2.235 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.334 4.332 2.140 1.00 0.46 C ATOM 1547 CD2 PHE A 97 1.956 4.158 2.080 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.447 2.985 1.899 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.064 2.803 1.839 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.310 2.216 1.747 1.00 0.63 C ATOM 0 H PHE A 97 3.936 5.085 4.805 1.00 0.39 H new ATOM 0 HA PHE A 97 3.508 7.876 3.941 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.022 6.764 2.138 1.00 0.51 H new ATOM 0 HB3 PHE A 97 3.748 6.921 1.878 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.227 4.928 2.257 1.00 0.46 H new ATOM 0 HD2 PHE A 97 0.980 4.615 2.148 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.423 2.528 1.828 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.174 2.202 1.722 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.396 1.156 1.556 1.00 0.63 H new ATOM 1560 N THR A 98 1.316 7.908 5.014 1.00 0.35 N ATOM 1561 CA THR A 98 0.080 7.988 5.759 1.00 0.36 C ATOM 1562 C THR A 98 -1.111 7.943 4.818 1.00 0.33 C ATOM 1563 O THR A 98 -1.348 8.876 4.048 1.00 0.36 O ATOM 1564 CB THR A 98 0.019 9.282 6.590 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.195 9.392 7.403 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.220 9.301 7.472 1.00 0.40 C ATOM 0 H THR A 98 1.708 8.812 4.751 1.00 0.35 H new ATOM 0 HA THR A 98 0.045 7.132 6.433 1.00 0.36 H new ATOM 0 HB THR A 98 -0.032 10.129 5.906 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.153 10.218 7.929 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.241 10.225 8.050 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.112 9.243 6.848 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.196 8.449 8.151 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.840 6.845 4.862 1.00 0.33 N ATOM 1575 CA VAL A 99 -3.047 6.702 4.076 1.00 0.35 C ATOM 1576 C VAL A 99 -4.209 7.374 4.794 1.00 0.31 C ATOM 1577 O VAL A 99 -4.670 6.885 5.824 1.00 0.32 O ATOM 1578 CB VAL A 99 -3.378 5.212 3.837 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.646 5.057 3.020 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -2.220 4.510 3.152 1.00 0.87 C ATOM 0 H VAL A 99 -1.614 6.034 5.438 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.885 7.179 3.109 1.00 0.35 H new ATOM 0 HB VAL A 99 -3.542 4.747 4.809 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.854 3.998 2.868 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.479 5.518 3.551 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.518 5.544 2.053 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -2.473 3.462 2.993 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -2.023 4.986 2.191 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -1.331 4.577 3.779 1.00 0.87 H new ATOM 1590 N THR A 100 -4.664 8.496 4.257 1.00 0.31 N ATOM 1591 CA THR A 100 -5.763 9.231 4.856 1.00 0.30 C ATOM 1592 C THR A 100 -7.059 8.966 4.109 1.00 0.26 C ATOM 1593 O THR A 100 -7.247 9.433 2.989 1.00 0.28 O ATOM 1594 CB THR A 100 -5.486 10.744 4.863 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.142 10.994 5.300 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.469 11.458 5.777 1.00 0.36 C ATOM 0 H THR A 100 -4.288 8.916 3.407 1.00 0.31 H new ATOM 0 HA THR A 100 -5.859 8.885 5.885 1.00 0.30 H new ATOM 0 HB THR A 100 -5.609 11.126 3.850 1.00 0.36 H new ATOM 0 HG1 THR A 100 -3.539 10.977 4.528 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.260 12.528 5.771 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.486 11.285 5.424 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.367 11.074 6.792 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.941 8.196 4.724 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.226 7.896 4.121 1.00 0.24 C ATOM 1606 C PHE A 101 -10.293 8.869 4.604 1.00 0.25 C ATOM 1607 O PHE A 101 -10.685 8.847 5.772 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.663 6.466 4.446 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.929 5.396 3.690 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.866 5.423 2.308 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.323 4.351 4.364 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.209 4.428 1.611 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.663 3.354 3.672 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.606 3.392 2.293 1.00 0.29 C ATOM 0 H PHE A 101 -7.790 7.769 5.638 1.00 0.25 H new ATOM 0 HA PHE A 101 -9.111 7.997 3.042 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.529 6.294 5.514 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.729 6.371 4.239 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.336 6.232 1.768 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.366 4.314 5.443 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.167 4.461 0.532 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -7.192 2.545 4.210 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.091 2.613 1.750 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.756 9.721 3.706 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.850 10.628 4.013 1.00 0.31 C ATOM 1626 C VAL A 102 -13.175 9.997 3.599 1.00 0.30 C ATOM 1627 O VAL A 102 -13.465 9.871 2.407 1.00 0.34 O ATOM 1628 CB VAL A 102 -11.681 11.987 3.299 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -12.819 12.933 3.651 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -10.335 12.608 3.642 1.00 0.54 C ATOM 0 H VAL A 102 -10.391 9.804 2.757 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.842 10.807 5.088 1.00 0.31 H new ATOM 0 HB VAL A 102 -11.713 11.811 2.224 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -12.676 13.882 3.135 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -13.767 12.492 3.343 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -12.831 13.103 4.728 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -10.235 13.565 3.130 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -10.270 12.765 4.719 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -9.534 11.940 3.324 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.961 9.581 4.587 1.00 0.31 N ATOM 1641 CA ALA A 103 -15.237 8.923 4.328 1.00 0.35 C ATOM 1642 C ALA A 103 -16.277 9.932 3.858 1.00 0.39 C ATOM 1643 O ALA A 103 -16.278 11.080 4.297 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.725 8.195 5.570 1.00 0.44 C ATOM 0 H ALA A 103 -13.736 9.688 5.576 1.00 0.31 H new ATOM 0 HA ALA A 103 -15.088 8.190 3.535 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.678 7.711 5.357 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.993 7.442 5.862 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.855 8.909 6.383 1.00 0.44 H new ATOM 1650 N ASP A 104 -17.155 9.500 2.965 1.00 0.48 N ATOM 1651 CA ASP A 104 -18.136 10.391 2.364 1.00 0.57 C ATOM 1652 C ASP A 104 -19.484 9.693 2.227 1.00 0.64 C ATOM 1653 O ASP A 104 -19.644 8.790 1.400 1.00 0.73 O ATOM 1654 CB ASP A 104 -17.653 10.819 0.984 1.00 0.58 C ATOM 1655 CG ASP A 104 -18.258 12.132 0.527 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -17.693 13.197 0.853 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -19.289 12.105 -0.171 1.00 2.03 O ATOM 0 H ASP A 104 -17.208 8.535 2.640 1.00 0.48 H new ATOM 0 HA ASP A 104 -18.254 11.263 3.008 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -16.567 10.911 0.997 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -17.899 10.041 0.261 1.00 0.58 H new ATOM 1662 N GLY A 105 -20.442 10.085 3.057 1.00 0.71 N ATOM 1663 CA GLY A 105 -21.783 9.526 2.973 1.00 0.83 C ATOM 1664 C GLY A 105 -21.823 8.026 3.221 1.00 1.06 C ATOM 1665 O GLY A 105 -22.801 7.362 2.881 1.00 1.97 O ATOM 0 H GLY A 105 -20.316 10.783 3.790 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -22.424 10.025 3.700 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -22.196 9.736 1.986 1.00 0.83 H new ATOM 1669 N GLN A 106 -20.744 7.501 3.796 1.00 1.24 N ATOM 1670 CA GLN A 106 -20.614 6.079 4.113 1.00 2.07 C ATOM 1671 C GLN A 106 -20.756 5.197 2.861 1.00 1.73 C ATOM 1672 O GLN A 106 -21.081 4.013 2.962 1.00 2.51 O ATOM 1673 CB GLN A 106 -21.642 5.661 5.175 1.00 2.98 C ATOM 1674 CG GLN A 106 -21.234 4.414 5.950 1.00 3.83 C ATOM 1675 CD GLN A 106 -22.256 3.997 6.986 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -22.996 4.826 7.520 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -22.286 2.711 7.298 1.00 4.93 N ATOM 0 H GLN A 106 -19.928 8.054 4.058 1.00 1.24 H new ATOM 0 HA GLN A 106 -19.611 5.930 4.513 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -21.787 6.484 5.875 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -22.602 5.482 4.691 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -21.079 3.593 5.250 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -20.279 4.596 6.443 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -21.656 2.058 6.832 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -22.939 2.373 8.005 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.512 5.768 1.682 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.469 4.974 0.449 1.00 0.48 C ATOM 1688 C LYS A 107 -19.366 5.461 -0.482 1.00 0.38 C ATOM 1689 O LYS A 107 -18.992 4.771 -1.427 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.797 4.996 -0.307 1.00 0.72 C ATOM 1691 CG LYS A 107 -22.972 4.445 0.483 1.00 1.55 C ATOM 1692 CD LYS A 107 -24.128 4.058 -0.428 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.599 5.225 -1.282 1.00 2.95 C ATOM 1694 NZ LYS A 107 -25.685 4.823 -2.215 1.00 3.53 N ATOM 0 H LYS A 107 -20.343 6.765 1.552 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.265 3.949 0.760 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -22.019 6.022 -0.599 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.689 4.420 -1.226 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -22.651 3.574 1.054 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.309 5.191 1.203 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -23.820 3.237 -1.075 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -24.959 3.693 0.176 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -24.953 6.028 -0.636 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -23.758 5.621 -1.852 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -25.979 5.645 -2.780 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -25.339 4.074 -2.848 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -26.497 4.468 -1.670 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.851 6.642 -0.215 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.754 7.186 -0.991 1.00 0.29 C ATOM 1710 C LYS A 108 -16.589 7.463 -0.052 1.00 0.27 C ATOM 1711 O LYS A 108 -16.790 7.603 1.152 1.00 0.28 O ATOM 1712 CB LYS A 108 -18.197 8.476 -1.690 1.00 0.33 C ATOM 1713 CG LYS A 108 -17.209 9.015 -2.709 1.00 0.50 C ATOM 1714 CD LYS A 108 -17.424 10.503 -2.938 1.00 1.09 C ATOM 1715 CE LYS A 108 -16.622 11.015 -4.121 1.00 1.62 C ATOM 1716 NZ LYS A 108 -17.221 10.597 -5.414 1.00 2.44 N ATOM 0 H LYS A 108 -19.176 7.248 0.538 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.446 6.473 -1.756 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -19.150 8.295 -2.188 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -18.373 9.241 -0.934 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -16.191 8.840 -2.362 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -17.322 8.478 -3.651 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.484 10.695 -3.107 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -17.140 11.053 -2.041 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -16.568 12.103 -4.080 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -15.600 10.642 -4.056 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -16.717 11.061 -6.196 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -17.142 9.565 -5.516 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -18.224 10.872 -5.437 1.00 2.44 H new ATOM 1730 N THR A 109 -15.380 7.486 -0.580 1.00 0.26 N ATOM 1731 CA THR A 109 -14.205 7.822 0.207 1.00 0.25 C ATOM 1732 C THR A 109 -13.087 8.314 -0.697 1.00 0.26 C ATOM 1733 O THR A 109 -12.842 7.746 -1.753 1.00 0.35 O ATOM 1734 CB THR A 109 -13.717 6.609 1.033 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.693 6.290 2.026 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.380 6.883 1.710 1.00 0.42 C ATOM 0 H THR A 109 -15.184 7.274 -1.558 1.00 0.26 H new ATOM 0 HA THR A 109 -14.484 8.617 0.899 1.00 0.25 H new ATOM 0 HB THR A 109 -13.580 5.772 0.349 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.429 6.936 1.981 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.074 6.005 2.280 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.628 7.105 0.953 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.480 7.735 2.382 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.435 9.385 -0.297 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.291 9.892 -1.034 1.00 0.27 C ATOM 1746 C ARG A 110 -10.050 9.769 -0.168 1.00 0.26 C ATOM 1747 O ARG A 110 -10.018 10.287 0.948 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.522 11.351 -1.444 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.383 11.956 -2.252 1.00 0.68 C ATOM 1750 CD ARG A 110 -10.324 11.371 -3.654 1.00 0.62 C ATOM 1751 NE ARG A 110 -9.204 11.908 -4.425 1.00 1.27 N ATOM 1752 CZ ARG A 110 -9.316 12.412 -5.653 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -10.501 12.492 -6.241 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -8.234 12.851 -6.285 1.00 2.59 N ATOM 0 H ARG A 110 -12.676 9.924 0.535 1.00 0.25 H new ATOM 0 HA ARG A 110 -11.155 9.307 -1.943 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.440 11.412 -2.028 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -11.675 11.950 -0.546 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -10.512 13.037 -2.312 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -9.437 11.776 -1.741 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -10.234 10.287 -3.591 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -11.258 11.583 -4.175 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.279 11.896 -3.996 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -11.335 12.166 -5.753 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -10.579 12.879 -7.181 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.322 12.801 -5.830 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -8.314 13.238 -7.225 1.00 2.59 H new ATOM 1768 N VAL A 111 -9.045 9.057 -0.654 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.832 8.873 0.121 1.00 0.27 C ATOM 1770 C VAL A 111 -6.728 9.789 -0.373 1.00 0.29 C ATOM 1771 O VAL A 111 -6.526 9.947 -1.583 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.320 7.418 0.082 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.985 7.006 -1.331 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.098 7.250 0.969 1.00 0.33 C ATOM 0 H VAL A 111 -9.045 8.604 -1.568 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.092 9.120 1.150 1.00 0.27 H new ATOM 0 HB VAL A 111 -8.117 6.776 0.457 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.626 5.977 -1.334 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.877 7.081 -1.953 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.210 7.662 -1.727 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.756 6.216 0.925 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.303 7.911 0.622 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.357 7.503 1.997 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.028 10.387 0.569 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.839 11.147 0.263 1.00 0.37 C ATOM 1786 C ASP A 112 -3.679 10.619 1.097 1.00 0.37 C ATOM 1787 O ASP A 112 -3.690 10.668 2.325 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.065 12.648 0.480 1.00 0.50 C ATOM 1789 CG ASP A 112 -5.403 13.022 1.913 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -4.479 13.383 2.672 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -6.588 12.925 2.297 1.00 1.38 O ATOM 0 H ASP A 112 -6.267 10.359 1.560 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.594 11.023 -0.792 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -4.168 13.187 0.177 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.873 12.981 -0.172 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.708 10.044 0.413 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.550 9.470 1.069 1.00 0.41 C ATOM 1798 C VAL A 113 -0.411 10.460 1.108 1.00 0.43 C ATOM 1799 O VAL A 113 0.058 10.922 0.069 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.092 8.173 0.365 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.377 7.868 0.638 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.956 7.015 0.818 1.00 0.77 C ATOM 0 H VAL A 113 -2.699 9.962 -0.604 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.842 9.224 2.090 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.203 8.317 -0.710 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.659 6.948 0.125 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.993 8.690 0.274 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.530 7.747 1.710 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.631 6.102 0.320 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.864 6.892 1.897 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.997 7.216 0.564 1.00 0.77 H new ATOM 1812 N GLU A 114 0.027 10.772 2.311 1.00 0.47 N ATOM 1813 CA GLU A 114 1.158 11.647 2.500 1.00 0.55 C ATOM 1814 C GLU A 114 2.410 10.819 2.727 1.00 0.60 C ATOM 1815 O GLU A 114 2.546 10.132 3.741 1.00 0.62 O ATOM 1816 CB GLU A 114 0.906 12.589 3.671 1.00 0.67 C ATOM 1817 CG GLU A 114 -0.281 13.509 3.439 1.00 1.31 C ATOM 1818 CD GLU A 114 -0.568 14.411 4.621 1.00 1.75 C ATOM 1819 OE1 GLU A 114 -1.636 14.254 5.249 1.00 2.31 O ATOM 1820 OE2 GLU A 114 0.288 15.267 4.938 1.00 2.05 O ATOM 0 H GLU A 114 -0.389 10.428 3.176 1.00 0.47 H new ATOM 0 HA GLU A 114 1.300 12.254 1.606 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.735 12.002 4.574 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.798 13.191 3.846 1.00 0.67 H new ATOM 0 HG2 GLU A 114 -0.092 14.122 2.558 1.00 1.31 H new ATOM 0 HG3 GLU A 114 -1.164 12.907 3.225 1.00 1.31 H new ATOM 1827 N HIS A 115 3.299 10.863 1.756 1.00 0.70 N ATOM 1828 CA HIS A 115 4.535 10.109 1.805 1.00 0.80 C ATOM 1829 C HIS A 115 5.700 11.067 1.644 1.00 0.89 C ATOM 1830 O HIS A 115 5.881 11.648 0.577 1.00 1.17 O ATOM 1831 CB HIS A 115 4.530 9.052 0.692 1.00 0.92 C ATOM 1832 CG HIS A 115 5.742 8.172 0.651 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.251 7.532 1.754 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.533 7.811 -0.386 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.300 6.819 1.396 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.496 6.969 0.103 1.00 1.47 N ATOM 0 H HIS A 115 3.185 11.422 0.911 1.00 0.70 H new ATOM 0 HA HIS A 115 4.633 9.596 2.762 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.647 8.424 0.812 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.434 9.558 -0.269 1.00 0.92 H new ATOM 0 HD1 HIS A 115 5.877 7.598 2.700 1.00 1.59 H new ATOM 0 HD2 HIS A 115 6.425 8.129 -1.412 1.00 1.36 H new ATOM 0 HE1 HIS A 115 7.901 6.211 2.056 1.00 1.64 H new ATOM 1845 N THR A 116 6.449 11.278 2.713 1.00 0.90 N ATOM 1846 CA THR A 116 7.560 12.217 2.680 1.00 1.08 C ATOM 1847 C THR A 116 8.581 11.904 3.771 1.00 0.83 C ATOM 1848 O THR A 116 8.394 12.281 4.930 1.00 1.67 O ATOM 1849 CB THR A 116 7.067 13.674 2.862 1.00 1.92 C ATOM 1850 OG1 THR A 116 5.982 13.950 1.968 1.00 2.67 O ATOM 1851 CG2 THR A 116 8.187 14.662 2.597 1.00 2.51 C ATOM 0 H THR A 116 6.310 10.815 3.611 1.00 0.90 H new ATOM 0 HA THR A 116 8.032 12.114 1.703 1.00 1.08 H new ATOM 0 HB THR A 116 6.730 13.783 3.893 1.00 1.92 H new ATOM 0 HG1 THR A 116 6.012 13.324 1.215 1.00 2.67 H new ATOM 0 HG21 THR A 116 7.815 15.678 2.731 1.00 2.51 H new ATOM 0 HG22 THR A 116 9.005 14.480 3.294 1.00 2.51 H new ATOM 0 HG23 THR A 116 8.546 14.539 1.575 1.00 2.51 H new ATOM 1859 N HIS A 117 9.638 11.183 3.413 1.00 0.72 N ATOM 1860 CA HIS A 117 10.756 10.972 4.331 1.00 1.13 C ATOM 1861 C HIS A 117 12.001 10.499 3.585 1.00 0.90 C ATOM 1862 O HIS A 117 12.935 11.262 3.384 1.00 0.97 O ATOM 1863 CB HIS A 117 10.392 9.973 5.437 1.00 1.98 C ATOM 1864 CG HIS A 117 11.397 9.928 6.553 1.00 2.07 C ATOM 1865 ND1 HIS A 117 11.360 10.783 7.633 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.475 9.129 6.749 1.00 2.33 C ATOM 1867 CE1 HIS A 117 12.368 10.515 8.441 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.057 9.516 7.928 1.00 2.63 N ATOM 0 H HIS A 117 9.746 10.737 2.502 1.00 0.72 H new ATOM 0 HA HIS A 117 10.975 11.933 4.797 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.416 10.235 5.847 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.298 8.978 5.002 1.00 1.98 H new ATOM 0 HD2 HIS A 117 12.812 8.336 6.098 1.00 2.33 H new ATOM 0 HE1 HIS A 117 12.590 11.027 9.365 1.00 2.60 H new ATOM 0 HE2 HIS A 117 13.890 9.098 8.342 1.00 2.63 H new ATOM 1877 N PHE A 118 12.005 9.240 3.175 1.00 0.76 N ATOM 1878 CA PHE A 118 13.158 8.662 2.490 1.00 0.76 C ATOM 1879 C PHE A 118 13.080 8.955 0.993 1.00 0.65 C ATOM 1880 O PHE A 118 14.093 9.036 0.298 1.00 0.74 O ATOM 1881 CB PHE A 118 13.203 7.157 2.757 1.00 0.97 C ATOM 1882 CG PHE A 118 14.367 6.440 2.136 1.00 1.74 C ATOM 1883 CD1 PHE A 118 15.663 6.845 2.403 1.00 2.35 C ATOM 1884 CD2 PHE A 118 14.165 5.365 1.287 1.00 2.32 C ATOM 1885 CE1 PHE A 118 16.738 6.192 1.834 1.00 3.18 C ATOM 1886 CE2 PHE A 118 15.237 4.707 0.715 1.00 3.21 C ATOM 1887 CZ PHE A 118 16.513 5.106 0.983 1.00 3.54 C ATOM 0 H PHE A 118 11.224 8.596 3.303 1.00 0.76 H new ATOM 0 HA PHE A 118 14.076 9.111 2.871 1.00 0.76 H new ATOM 0 HB2 PHE A 118 13.228 6.994 3.835 1.00 0.97 H new ATOM 0 HB3 PHE A 118 12.280 6.709 2.388 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.835 7.681 3.064 1.00 2.35 H new ATOM 0 HD2 PHE A 118 13.159 5.037 1.070 1.00 2.32 H new ATOM 0 HE1 PHE A 118 17.746 6.518 2.045 1.00 3.18 H new ATOM 0 HE2 PHE A 118 15.063 3.872 0.052 1.00 3.21 H new ATOM 0 HZ PHE A 118 17.348 4.584 0.539 1.00 3.54 H new ATOM 1897 N ASP A 119 11.858 9.128 0.524 1.00 0.66 N ATOM 1898 CA ASP A 119 11.571 9.479 -0.855 1.00 0.75 C ATOM 1899 C ASP A 119 12.033 10.899 -1.161 1.00 0.74 C ATOM 1900 O ASP A 119 12.765 11.134 -2.124 1.00 0.83 O ATOM 1901 CB ASP A 119 10.063 9.357 -1.072 1.00 0.94 C ATOM 1902 CG ASP A 119 9.285 9.904 0.115 1.00 1.34 C ATOM 1903 OD1 ASP A 119 9.211 9.207 1.155 1.00 1.75 O ATOM 1904 OD2 ASP A 119 8.774 11.029 0.032 1.00 1.81 O ATOM 0 H ASP A 119 11.023 9.027 1.100 1.00 0.66 H new ATOM 0 HA ASP A 119 12.107 8.806 -1.525 1.00 0.75 H new ATOM 0 HB2 ASP A 119 9.779 9.897 -1.975 1.00 0.94 H new ATOM 0 HB3 ASP A 119 9.800 8.311 -1.230 1.00 0.94 H new ATOM 1909 N ARG A 120 11.607 11.834 -0.315 1.00 0.76 N ATOM 1910 CA ARG A 120 11.941 13.256 -0.462 1.00 0.89 C ATOM 1911 C ARG A 120 13.449 13.495 -0.439 1.00 0.83 C ATOM 1912 O ARG A 120 13.923 14.558 -0.845 1.00 1.00 O ATOM 1913 CB ARG A 120 11.286 14.090 0.635 1.00 1.07 C ATOM 1914 CG ARG A 120 11.717 13.673 2.024 1.00 1.50 C ATOM 1915 CD ARG A 120 11.647 14.826 3.011 1.00 1.71 C ATOM 1916 NE ARG A 120 12.688 15.816 2.752 1.00 2.15 N ATOM 1917 CZ ARG A 120 12.583 17.107 3.035 1.00 2.66 C ATOM 1918 NH1 ARG A 120 11.474 17.592 3.577 1.00 2.90 N ATOM 1919 NH2 ARG A 120 13.599 17.915 2.770 1.00 3.38 N ATOM 0 H ARG A 120 11.020 11.631 0.494 1.00 0.76 H new ATOM 0 HA ARG A 120 11.556 13.565 -1.434 1.00 0.89 H new ATOM 0 HB2 ARG A 120 11.533 15.141 0.483 1.00 1.07 H new ATOM 0 HB3 ARG A 120 10.203 14.002 0.554 1.00 1.07 H new ATOM 0 HG2 ARG A 120 11.081 12.859 2.372 1.00 1.50 H new ATOM 0 HG3 ARG A 120 12.736 13.288 1.987 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.668 15.301 2.948 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.751 14.444 4.026 1.00 1.71 H new ATOM 0 HE ARG A 120 13.555 15.492 2.324 1.00 2.15 H new ATOM 0 HH11 ARG A 120 10.691 16.970 3.780 1.00 2.90 H new ATOM 0 HH12 ARG A 120 11.404 18.587 3.791 1.00 2.90 H new ATOM 0 HH21 ARG A 120 14.452 17.542 2.352 1.00 3.38 H new ATOM 0 HH22 ARG A 120 13.529 18.910 2.984 1.00 3.38 H new ATOM 1933 N MET A 121 14.200 12.529 0.083 1.00 0.73 N ATOM 1934 CA MET A 121 15.657 12.619 0.107 1.00 0.91 C ATOM 1935 C MET A 121 16.208 12.629 -1.321 1.00 1.12 C ATOM 1936 O MET A 121 17.404 12.849 -1.539 1.00 1.41 O ATOM 1937 CB MET A 121 16.248 11.464 0.916 1.00 1.05 C ATOM 1938 CG MET A 121 15.800 11.469 2.370 1.00 1.28 C ATOM 1939 SD MET A 121 16.417 10.057 3.304 1.00 2.15 S ATOM 1940 CE MET A 121 18.166 10.423 3.358 1.00 2.43 C ATOM 0 H MET A 121 13.824 11.675 0.495 1.00 0.73 H new ATOM 0 HA MET A 121 15.946 13.552 0.591 1.00 0.91 H new ATOM 0 HB2 MET A 121 15.959 10.519 0.455 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.336 11.518 0.876 1.00 1.05 H new ATOM 0 HG2 MET A 121 16.140 12.389 2.846 1.00 1.28 H new ATOM 0 HG3 MET A 121 14.711 11.475 2.408 1.00 1.28 H new ATOM 0 HE1 MET A 121 18.713 9.672 2.787 1.00 2.43 H new ATOM 0 HE2 MET A 121 18.345 11.408 2.927 1.00 2.43 H new ATOM 0 HE3 MET A 121 18.508 10.412 4.393 1.00 2.43 H new ATOM 1950 N GLY A 122 15.320 12.352 -2.273 1.00 1.18 N ATOM 1951 CA GLY A 122 15.586 12.589 -3.678 1.00 1.61 C ATOM 1952 C GLY A 122 16.839 11.926 -4.196 1.00 1.21 C ATOM 1953 O GLY A 122 17.281 10.913 -3.657 1.00 1.30 O ATOM 0 H GLY A 122 14.398 11.957 -2.086 1.00 1.18 H new ATOM 0 HA2 GLY A 122 14.735 12.236 -4.261 1.00 1.61 H new ATOM 0 HA3 GLY A 122 15.663 13.663 -3.845 1.00 1.61 H new ATOM 1957 N THR A 123 17.400 12.522 -5.246 1.00 1.27 N ATOM 1958 CA THR A 123 18.604 12.018 -5.907 1.00 1.42 C ATOM 1959 C THR A 123 18.539 10.501 -6.115 1.00 1.27 C ATOM 1960 O THR A 123 17.566 9.982 -6.675 1.00 1.24 O ATOM 1961 CB THR A 123 19.891 12.406 -5.133 1.00 1.94 C ATOM 1962 OG1 THR A 123 19.817 11.970 -3.767 1.00 2.44 O ATOM 1963 CG2 THR A 123 20.118 13.912 -5.176 1.00 2.58 C ATOM 0 H THR A 123 17.030 13.375 -5.666 1.00 1.27 H new ATOM 0 HA THR A 123 18.647 12.493 -6.887 1.00 1.42 H new ATOM 0 HB THR A 123 20.730 11.908 -5.619 1.00 1.94 H new ATOM 0 HG1 THR A 123 20.639 12.223 -3.298 1.00 2.44 H new ATOM 0 HG21 THR A 123 21.026 14.159 -4.626 1.00 2.58 H new ATOM 0 HG22 THR A 123 20.222 14.235 -6.212 1.00 2.58 H new ATOM 0 HG23 THR A 123 19.269 14.421 -4.721 1.00 2.58 H new ATOM 1971 N LYS A 124 19.551 9.790 -5.633 1.00 1.28 N ATOM 1972 CA LYS A 124 19.613 8.350 -5.805 1.00 1.24 C ATOM 1973 C LYS A 124 18.627 7.650 -4.882 1.00 1.05 C ATOM 1974 O LYS A 124 18.206 6.538 -5.166 1.00 1.04 O ATOM 1975 CB LYS A 124 21.027 7.816 -5.546 1.00 1.43 C ATOM 1976 CG LYS A 124 22.038 8.118 -6.646 1.00 2.04 C ATOM 1977 CD LYS A 124 22.413 9.590 -6.697 1.00 2.45 C ATOM 1978 CE LYS A 124 23.510 9.843 -7.715 1.00 3.14 C ATOM 1979 NZ LYS A 124 23.906 11.272 -7.766 1.00 3.80 N ATOM 0 H LYS A 124 20.338 10.190 -5.121 1.00 1.28 H new ATOM 0 HA LYS A 124 19.345 8.137 -6.840 1.00 1.24 H new ATOM 0 HB2 LYS A 124 21.393 8.238 -4.610 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.972 6.736 -5.409 1.00 1.43 H new ATOM 0 HG2 LYS A 124 22.936 7.522 -6.484 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.625 7.817 -7.609 1.00 2.04 H new ATOM 0 HD2 LYS A 124 21.534 10.183 -6.951 1.00 2.45 H new ATOM 0 HD3 LYS A 124 22.745 9.918 -5.712 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.380 9.235 -7.468 1.00 3.14 H new ATOM 0 HE3 LYS A 124 23.169 9.526 -8.701 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.657 11.399 -8.474 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 23.083 11.851 -8.027 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 24.256 11.569 -6.833 1.00 3.80 H new ATOM 1993 N HIS A 125 18.248 8.303 -3.785 1.00 0.96 N ATOM 1994 CA HIS A 125 17.319 7.703 -2.827 1.00 0.85 C ATOM 1995 C HIS A 125 15.964 7.465 -3.484 1.00 0.76 C ATOM 1996 O HIS A 125 15.429 6.355 -3.452 1.00 0.76 O ATOM 1997 CB HIS A 125 17.149 8.588 -1.587 1.00 0.85 C ATOM 1998 CG HIS A 125 18.391 8.732 -0.761 1.00 1.23 C ATOM 1999 ND1 HIS A 125 19.000 9.947 -0.513 1.00 1.80 N ATOM 2000 CD2 HIS A 125 19.133 7.805 -0.111 1.00 1.80 C ATOM 2001 CE1 HIS A 125 20.061 9.756 0.252 1.00 2.14 C ATOM 2002 NE2 HIS A 125 20.160 8.468 0.509 1.00 2.12 N ATOM 0 H HIS A 125 18.566 9.240 -3.538 1.00 0.96 H new ATOM 0 HA HIS A 125 17.738 6.748 -2.509 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.819 9.578 -1.903 1.00 0.85 H new ATOM 0 HB3 HIS A 125 16.357 8.172 -0.963 1.00 0.85 H new ATOM 0 HD2 HIS A 125 18.950 6.741 -0.086 1.00 1.80 H new ATOM 0 HE1 HIS A 125 20.732 10.525 0.606 1.00 2.14 H new ATOM 0 HE2 HIS A 125 20.886 8.033 1.079 1.00 2.12 H new ATOM 2011 N ALA A 126 15.429 8.507 -4.104 1.00 0.77 N ATOM 2012 CA ALA A 126 14.152 8.404 -4.795 1.00 0.80 C ATOM 2013 C ALA A 126 14.287 7.526 -6.032 1.00 0.86 C ATOM 2014 O ALA A 126 13.397 6.740 -6.349 1.00 0.92 O ATOM 2015 CB ALA A 126 13.638 9.785 -5.172 1.00 0.92 C ATOM 0 H ALA A 126 15.858 9.431 -4.143 1.00 0.77 H new ATOM 0 HA ALA A 126 13.430 7.942 -4.122 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.683 9.689 -5.688 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.505 10.383 -4.270 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.357 10.274 -5.829 1.00 0.92 H new ATOM 2021 N LYS A 127 15.424 7.653 -6.709 1.00 0.92 N ATOM 2022 CA LYS A 127 15.692 6.891 -7.923 1.00 1.05 C ATOM 2023 C LYS A 127 15.745 5.388 -7.634 1.00 0.97 C ATOM 2024 O LYS A 127 15.185 4.585 -8.379 1.00 1.04 O ATOM 2025 CB LYS A 127 17.013 7.361 -8.542 1.00 1.26 C ATOM 2026 CG LYS A 127 17.350 6.707 -9.871 1.00 1.55 C ATOM 2027 CD LYS A 127 18.625 7.292 -10.460 1.00 1.93 C ATOM 2028 CE LYS A 127 18.976 6.658 -11.796 1.00 2.38 C ATOM 2029 NZ LYS A 127 19.345 5.225 -11.662 1.00 2.83 N ATOM 0 H LYS A 127 16.179 8.281 -6.435 1.00 0.92 H new ATOM 0 HA LYS A 127 14.879 7.065 -8.628 1.00 1.05 H new ATOM 0 HB2 LYS A 127 16.970 8.441 -8.683 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.821 7.163 -7.838 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.469 5.633 -9.731 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.525 6.848 -10.569 1.00 1.55 H new ATOM 0 HD2 LYS A 127 18.505 8.368 -10.589 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.448 7.145 -9.761 1.00 1.93 H new ATOM 0 HE2 LYS A 127 18.127 6.750 -12.473 1.00 2.38 H new ATOM 0 HE3 LYS A 127 19.805 7.203 -12.248 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 19.689 4.868 -12.576 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 20.094 5.125 -10.947 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 18.511 4.678 -11.369 1.00 2.83 H new ATOM 2043 N ARG A 128 16.399 5.021 -6.537 1.00 0.94 N ATOM 2044 CA ARG A 128 16.604 3.616 -6.192 1.00 1.00 C ATOM 2045 C ARG A 128 15.312 2.968 -5.686 1.00 0.97 C ATOM 2046 O ARG A 128 15.087 1.770 -5.878 1.00 1.09 O ATOM 2047 CB ARG A 128 17.723 3.486 -5.150 1.00 1.14 C ATOM 2048 CG ARG A 128 17.361 4.024 -3.773 1.00 1.11 C ATOM 2049 CD ARG A 128 18.591 4.173 -2.888 1.00 1.34 C ATOM 2050 NE ARG A 128 19.319 2.914 -2.716 1.00 1.59 N ATOM 2051 CZ ARG A 128 20.646 2.834 -2.599 1.00 1.95 C ATOM 2052 NH1 ARG A 128 21.388 3.935 -2.635 1.00 2.14 N ATOM 2053 NH2 ARG A 128 21.233 1.654 -2.442 1.00 2.59 N ATOM 0 H ARG A 128 16.798 5.679 -5.868 1.00 0.94 H new ATOM 0 HA ARG A 128 16.902 3.085 -7.096 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.996 2.435 -5.056 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.605 4.014 -5.513 1.00 1.14 H new ATOM 0 HG2 ARG A 128 16.868 4.991 -3.877 1.00 1.11 H new ATOM 0 HG3 ARG A 128 16.648 3.352 -3.295 1.00 1.11 H new ATOM 0 HD2 ARG A 128 19.258 4.917 -3.323 1.00 1.34 H new ATOM 0 HD3 ARG A 128 18.287 4.549 -1.911 1.00 1.34 H new ATOM 0 HE ARG A 128 18.781 2.048 -2.684 1.00 1.59 H new ATOM 0 HH11 ARG A 128 20.944 4.846 -2.752 1.00 2.14 H new ATOM 0 HH12 ARG A 128 22.402 3.870 -2.545 1.00 2.14 H new ATOM 0 HH21 ARG A 128 20.670 0.804 -2.410 1.00 2.59 H new ATOM 0 HH22 ARG A 128 22.247 1.597 -2.353 1.00 2.59 H new ATOM 2067 N VAL A 129 14.466 3.753 -5.034 1.00 0.91 N ATOM 2068 CA VAL A 129 13.173 3.257 -4.575 1.00 1.04 C ATOM 2069 C VAL A 129 12.198 3.135 -5.743 1.00 1.04 C ATOM 2070 O VAL A 129 11.431 2.168 -5.840 1.00 1.19 O ATOM 2071 CB VAL A 129 12.565 4.185 -3.503 1.00 1.16 C ATOM 2072 CG1 VAL A 129 11.100 3.855 -3.275 1.00 1.43 C ATOM 2073 CG2 VAL A 129 13.344 4.076 -2.204 1.00 1.48 C ATOM 0 H VAL A 129 14.649 4.731 -4.811 1.00 0.91 H new ATOM 0 HA VAL A 129 13.340 2.274 -4.136 1.00 1.04 H new ATOM 0 HB VAL A 129 12.631 5.212 -3.861 1.00 1.16 H new ATOM 0 HG11 VAL A 129 10.691 4.521 -2.515 1.00 1.43 H new ATOM 0 HG12 VAL A 129 10.549 3.985 -4.206 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.008 2.822 -2.939 1.00 1.43 H new ATOM 0 HG21 VAL A 129 12.902 4.737 -1.458 1.00 1.48 H new ATOM 0 HG22 VAL A 129 13.309 3.048 -1.844 1.00 1.48 H new ATOM 0 HG23 VAL A 129 14.381 4.365 -2.376 1.00 1.48 H new ATOM 2083 N ARG A 130 12.251 4.113 -6.639 1.00 0.99 N ATOM 2084 CA ARG A 130 11.333 4.176 -7.770 1.00 1.14 C ATOM 2085 C ARG A 130 11.500 2.965 -8.690 1.00 1.05 C ATOM 2086 O ARG A 130 10.613 2.657 -9.480 1.00 1.24 O ATOM 2087 CB ARG A 130 11.538 5.477 -8.556 1.00 1.30 C ATOM 2088 CG ARG A 130 10.476 5.704 -9.615 1.00 1.75 C ATOM 2089 CD ARG A 130 10.697 6.987 -10.399 1.00 1.86 C ATOM 2090 NE ARG A 130 9.699 7.123 -11.458 1.00 2.36 N ATOM 2091 CZ ARG A 130 9.805 7.928 -12.510 1.00 2.92 C ATOM 2092 NH1 ARG A 130 10.834 8.754 -12.638 1.00 3.04 N ATOM 2093 NH2 ARG A 130 8.863 7.903 -13.440 1.00 3.83 N ATOM 0 H ARG A 130 12.925 4.878 -6.604 1.00 0.99 H new ATOM 0 HA ARG A 130 10.317 4.160 -7.376 1.00 1.14 H new ATOM 0 HB2 ARG A 130 11.537 6.318 -7.862 1.00 1.30 H new ATOM 0 HB3 ARG A 130 12.519 5.457 -9.031 1.00 1.30 H new ATOM 0 HG2 ARG A 130 10.468 4.859 -10.303 1.00 1.75 H new ATOM 0 HG3 ARG A 130 9.496 5.737 -9.140 1.00 1.75 H new ATOM 0 HD2 ARG A 130 10.641 7.844 -9.727 1.00 1.86 H new ATOM 0 HD3 ARG A 130 11.697 6.987 -10.833 1.00 1.86 H new ATOM 0 HE ARG A 130 8.855 6.555 -11.384 1.00 2.36 H new ATOM 0 HH11 ARG A 130 11.560 8.778 -11.922 1.00 3.04 H new ATOM 0 HH12 ARG A 130 10.899 9.365 -13.452 1.00 3.04 H new ATOM 0 HH21 ARG A 130 8.068 7.271 -13.344 1.00 3.83 H new ATOM 0 HH22 ARG A 130 8.932 8.516 -14.253 1.00 3.83 H new ATOM 2107 N ASN A 131 12.619 2.260 -8.548 1.00 0.85 N ATOM 2108 CA ASN A 131 12.931 1.104 -9.392 1.00 0.88 C ATOM 2109 C ASN A 131 11.784 0.102 -9.436 1.00 1.08 C ATOM 2110 O ASN A 131 11.383 -0.348 -10.508 1.00 1.24 O ATOM 2111 CB ASN A 131 14.184 0.389 -8.879 1.00 0.88 C ATOM 2112 CG ASN A 131 15.455 1.164 -9.133 1.00 1.70 C ATOM 2113 OD1 ASN A 131 15.560 1.914 -10.101 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.429 0.987 -8.256 1.00 2.04 N ATOM 0 H ASN A 131 13.333 2.470 -7.850 1.00 0.85 H new ATOM 0 HA ASN A 131 13.099 1.487 -10.399 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.081 0.212 -7.808 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.259 -0.587 -9.358 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.313 1.484 -8.368 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.296 0.354 -7.467 1.00 2.04 H new ATOM 2121 N GLY A 132 11.247 -0.239 -8.274 1.00 1.23 N ATOM 2122 CA GLY A 132 10.239 -1.278 -8.217 1.00 1.61 C ATOM 2123 C GLY A 132 8.821 -0.744 -8.172 1.00 1.21 C ATOM 2124 O GLY A 132 7.906 -1.352 -8.723 1.00 1.24 O ATOM 0 H GLY A 132 11.488 0.181 -7.376 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.347 -1.926 -9.087 1.00 1.61 H new ATOM 0 HA3 GLY A 132 10.414 -1.895 -7.336 1.00 1.61 H new ATOM 2128 N MET A 133 8.627 0.384 -7.507 1.00 1.24 N ATOM 2129 CA MET A 133 7.281 0.896 -7.278 1.00 1.38 C ATOM 2130 C MET A 133 6.718 1.649 -8.483 1.00 1.35 C ATOM 2131 O MET A 133 5.502 1.768 -8.616 1.00 1.56 O ATOM 2132 CB MET A 133 7.256 1.808 -6.053 1.00 2.06 C ATOM 2133 CG MET A 133 8.004 3.118 -6.231 1.00 2.92 C ATOM 2134 SD MET A 133 7.954 4.144 -4.751 1.00 3.99 S ATOM 2135 CE MET A 133 6.185 4.287 -4.496 1.00 4.83 C ATOM 0 H MET A 133 9.375 0.959 -7.119 1.00 1.24 H new ATOM 0 HA MET A 133 6.647 0.026 -7.109 1.00 1.38 H new ATOM 0 HB2 MET A 133 6.219 2.027 -5.800 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.684 1.271 -5.207 1.00 2.06 H new ATOM 0 HG2 MET A 133 9.042 2.908 -6.490 1.00 2.92 H new ATOM 0 HG3 MET A 133 7.572 3.669 -7.067 1.00 2.92 H new ATOM 0 HE1 MET A 133 5.987 5.034 -3.727 1.00 4.83 H new ATOM 0 HE2 MET A 133 5.706 4.590 -5.427 1.00 4.83 H new ATOM 0 HE3 MET A 133 5.784 3.324 -4.178 1.00 4.83 H new ATOM 2145 N ASP A 134 7.598 2.132 -9.357 1.00 1.38 N ATOM 2146 CA ASP A 134 7.213 3.082 -10.410 1.00 1.84 C ATOM 2147 C ASP A 134 6.068 2.585 -11.286 1.00 1.95 C ATOM 2148 O ASP A 134 5.155 3.345 -11.602 1.00 2.41 O ATOM 2149 CB ASP A 134 8.412 3.427 -11.282 1.00 2.05 C ATOM 2150 CG ASP A 134 8.095 4.512 -12.291 1.00 2.29 C ATOM 2151 OD1 ASP A 134 7.586 5.576 -11.882 1.00 2.83 O ATOM 2152 OD2 ASP A 134 8.379 4.324 -13.490 1.00 2.28 O ATOM 0 H ASP A 134 8.587 1.883 -9.360 1.00 1.38 H new ATOM 0 HA ASP A 134 6.856 3.974 -9.895 1.00 1.84 H new ATOM 0 HB2 ASP A 134 9.237 3.752 -10.649 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.746 2.532 -11.807 1.00 2.05 H new ATOM 2157 N LYS A 135 6.108 1.323 -11.683 1.00 1.70 N ATOM 2158 CA LYS A 135 5.037 0.772 -12.501 1.00 2.03 C ATOM 2159 C LYS A 135 4.280 -0.307 -11.728 1.00 1.70 C ATOM 2160 O LYS A 135 3.751 -1.259 -12.304 1.00 2.17 O ATOM 2161 CB LYS A 135 5.584 0.206 -13.816 1.00 2.40 C ATOM 2162 CG LYS A 135 4.506 0.023 -14.874 1.00 3.08 C ATOM 2163 CD LYS A 135 5.036 -0.634 -16.136 1.00 3.44 C ATOM 2164 CE LYS A 135 3.925 -0.792 -17.162 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.385 -1.474 -18.401 1.00 4.15 N ATOM 0 H LYS A 135 6.857 0.669 -11.457 1.00 1.70 H new ATOM 0 HA LYS A 135 4.346 1.579 -12.744 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.354 0.874 -14.201 1.00 2.40 H new ATOM 0 HB3 LYS A 135 6.062 -0.754 -13.622 1.00 2.40 H new ATOM 0 HG2 LYS A 135 3.698 -0.583 -14.464 1.00 3.08 H new ATOM 0 HG3 LYS A 135 4.079 0.994 -15.125 1.00 3.08 H new ATOM 0 HD2 LYS A 135 5.843 -0.032 -16.555 1.00 3.44 H new ATOM 0 HD3 LYS A 135 5.458 -1.610 -15.895 1.00 3.44 H new ATOM 0 HE2 LYS A 135 3.106 -1.361 -16.721 1.00 3.61 H new ATOM 0 HE3 LYS A 135 3.529 0.191 -17.418 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 3.591 -1.557 -19.067 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 5.148 -0.920 -18.839 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 4.738 -2.423 -18.164 1.00 4.15 H new ATOM 2179 N GLY A 136 4.224 -0.147 -10.417 1.00 1.04 N ATOM 2180 CA GLY A 136 3.494 -1.085 -9.594 1.00 0.79 C ATOM 2181 C GLY A 136 2.487 -0.396 -8.702 1.00 0.65 C ATOM 2182 O GLY A 136 1.291 -0.489 -8.940 1.00 0.57 O ATOM 0 H GLY A 136 4.671 0.615 -9.908 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.980 -1.803 -10.233 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.195 -1.650 -8.980 1.00 0.79 H new ATOM 2186 N TRP A 137 2.976 0.327 -7.702 1.00 0.68 N ATOM 2187 CA TRP A 137 2.115 0.929 -6.678 1.00 0.67 C ATOM 2188 C TRP A 137 1.063 1.882 -7.279 1.00 0.57 C ATOM 2189 O TRP A 137 -0.125 1.739 -6.989 1.00 0.56 O ATOM 2190 CB TRP A 137 2.963 1.645 -5.619 1.00 0.81 C ATOM 2191 CG TRP A 137 2.197 2.008 -4.383 1.00 0.66 C ATOM 2192 CD1 TRP A 137 1.541 1.150 -3.548 1.00 1.62 C ATOM 2193 CD2 TRP A 137 2.022 3.319 -3.832 1.00 0.93 C ATOM 2194 NE1 TRP A 137 0.960 1.848 -2.516 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.245 3.181 -2.668 1.00 0.98 C ATOM 2196 CE3 TRP A 137 2.447 4.596 -4.213 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.884 4.274 -1.881 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 2.089 5.678 -3.430 1.00 2.78 C ATOM 2199 CH2 TRP A 137 1.315 5.511 -2.275 1.00 2.32 C ATOM 0 H TRP A 137 3.970 0.514 -7.574 1.00 0.68 H new ATOM 0 HA TRP A 137 1.565 0.118 -6.200 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.801 1.005 -5.342 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.384 2.551 -6.055 1.00 0.81 H new ATOM 0 HD1 TRP A 137 1.486 0.079 -3.679 1.00 1.62 H new ATOM 0 HE1 TRP A 137 0.408 1.441 -1.761 1.00 1.62 H new ATOM 0 HE3 TRP A 137 3.044 4.734 -5.102 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 0.285 4.148 -0.991 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 2.412 6.669 -3.714 1.00 2.78 H new ATOM 0 HH2 TRP A 137 1.053 6.376 -1.684 1.00 2.32 H new ATOM 2210 N PRO A 138 1.460 2.865 -8.120 1.00 0.58 N ATOM 2211 CA PRO A 138 0.500 3.763 -8.773 1.00 0.61 C ATOM 2212 C PRO A 138 -0.505 3.007 -9.642 1.00 0.58 C ATOM 2213 O PRO A 138 -1.683 3.357 -9.683 1.00 0.64 O ATOM 2214 CB PRO A 138 1.373 4.681 -9.638 1.00 0.68 C ATOM 2215 CG PRO A 138 2.674 3.971 -9.761 1.00 0.66 C ATOM 2216 CD PRO A 138 2.843 3.206 -8.482 1.00 0.63 C ATOM 0 HA PRO A 138 -0.102 4.303 -8.042 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.921 4.849 -10.616 1.00 0.68 H new ATOM 0 HB3 PRO A 138 1.499 5.659 -9.173 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.674 3.301 -10.621 1.00 0.66 H new ATOM 0 HG3 PRO A 138 3.492 4.676 -9.906 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.456 2.315 -8.622 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.326 3.808 -7.712 1.00 0.63 H new ATOM 2224 N THR A 139 -0.036 1.962 -10.318 1.00 0.57 N ATOM 2225 CA THR A 139 -0.897 1.142 -11.159 1.00 0.62 C ATOM 2226 C THR A 139 -1.851 0.334 -10.284 1.00 0.54 C ATOM 2227 O THR A 139 -3.031 0.135 -10.615 1.00 0.55 O ATOM 2228 CB THR A 139 -0.044 0.200 -12.033 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.901 0.977 -12.784 1.00 0.81 O ATOM 2230 CG2 THR A 139 -0.906 -0.618 -12.982 1.00 0.87 C ATOM 0 H THR A 139 0.939 1.664 -10.298 1.00 0.57 H new ATOM 0 HA THR A 139 -1.479 1.790 -11.814 1.00 0.62 H new ATOM 0 HB THR A 139 0.478 -0.495 -11.376 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.446 0.381 -13.339 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.270 -1.270 -13.581 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.606 -1.224 -12.407 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.460 0.052 -13.639 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.326 -0.097 -9.144 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.108 -0.784 -8.140 1.00 0.47 C ATOM 2240 C ILE A 140 -3.302 0.060 -7.725 1.00 0.42 C ATOM 2241 O ILE A 140 -4.396 -0.457 -7.569 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.249 -1.133 -6.901 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.319 -2.317 -7.216 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -2.124 -1.429 -5.693 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.471 -2.833 -6.029 1.00 0.72 C ATOM 0 H ILE A 140 -0.344 0.023 -8.895 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.467 -1.715 -8.579 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.633 -0.268 -6.654 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.917 -3.134 -7.621 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.379 -2.016 -7.997 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.493 -1.671 -4.837 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.731 -0.554 -5.460 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.776 -2.274 -5.914 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.099 -3.667 -6.344 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.100 -2.034 -5.635 1.00 0.72 H new ATOM 0 HD13 ILE A 140 -0.216 -3.170 -5.253 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.092 1.363 -7.590 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.149 2.271 -7.159 1.00 0.36 C ATOM 2259 C LEU A 141 -5.323 2.286 -8.138 1.00 0.38 C ATOM 2260 O LEU A 141 -6.472 2.485 -7.734 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.593 3.681 -6.985 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.448 3.798 -5.980 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -2.005 5.246 -5.852 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -2.860 3.229 -4.624 1.00 0.56 C ATOM 0 H LEU A 141 -2.197 1.817 -7.773 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.523 1.908 -6.202 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.246 4.042 -7.953 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.403 4.340 -6.671 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.604 3.213 -6.345 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.189 5.315 -5.133 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -1.666 5.610 -6.822 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -2.842 5.854 -5.509 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -2.030 3.322 -3.923 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -3.720 3.781 -4.244 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.124 2.177 -4.736 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.045 2.065 -9.416 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.109 2.012 -10.416 1.00 0.48 C ATOM 2278 C GLN A 142 -6.921 0.738 -10.251 1.00 0.47 C ATOM 2279 O GLN A 142 -8.149 0.777 -10.153 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.557 2.088 -11.846 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.265 3.498 -12.341 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.052 4.128 -11.692 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -2.929 3.977 -12.176 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.268 4.854 -10.608 1.00 0.77 N ATOM 0 H GLN A 142 -4.105 1.921 -9.784 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.748 2.880 -10.256 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.640 1.502 -11.898 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.273 1.621 -12.523 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.117 3.472 -13.421 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.135 4.127 -12.154 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.214 4.953 -10.241 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -3.488 5.315 -10.139 1.00 0.77 H new ATOM 2293 N SER A 143 -6.231 -0.391 -10.200 1.00 0.49 N ATOM 2294 CA SER A 143 -6.889 -1.678 -10.004 1.00 0.53 C ATOM 2295 C SER A 143 -7.470 -1.782 -8.592 1.00 0.45 C ATOM 2296 O SER A 143 -8.378 -2.568 -8.339 1.00 0.46 O ATOM 2297 CB SER A 143 -5.896 -2.798 -10.264 1.00 0.64 C ATOM 2298 OG SER A 143 -5.345 -2.685 -11.564 1.00 1.15 O ATOM 0 H SER A 143 -5.217 -0.445 -10.291 1.00 0.49 H new ATOM 0 HA SER A 143 -7.716 -1.766 -10.708 1.00 0.53 H new ATOM 0 HB2 SER A 143 -5.099 -2.764 -9.521 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.392 -3.763 -10.156 1.00 0.64 H new ATOM 0 HG SER A 143 -4.707 -3.413 -11.713 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.921 -0.992 -7.679 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.422 -0.896 -6.314 1.00 0.36 C ATOM 2306 C PHE A 144 -8.860 -0.377 -6.322 1.00 0.32 C ATOM 2307 O PHE A 144 -9.762 -1.007 -5.773 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.511 0.037 -5.506 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.941 0.280 -4.088 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -6.988 -0.756 -3.173 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.275 1.559 -3.667 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.363 -0.524 -1.864 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.654 1.796 -2.361 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.698 0.754 -1.458 1.00 0.78 C ATOM 0 H PHE A 144 -6.113 -0.398 -7.865 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.419 -1.882 -5.850 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.505 -0.382 -5.497 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.452 0.996 -6.020 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.729 -1.757 -3.485 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.238 2.379 -4.369 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.394 -1.341 -1.158 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.916 2.796 -2.047 1.00 0.68 H new ATOM 0 HZ PHE A 144 -7.994 0.937 -0.435 1.00 0.78 H new ATOM 2324 N GLN A 145 -9.059 0.772 -6.968 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.392 1.344 -7.156 1.00 0.31 C ATOM 2326 C GLN A 145 -11.304 0.362 -7.880 1.00 0.35 C ATOM 2327 O GLN A 145 -12.491 0.254 -7.576 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.290 2.636 -7.964 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.645 3.775 -7.200 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.180 4.899 -8.100 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.928 5.831 -8.394 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.933 4.821 -8.539 1.00 0.66 N ATOM 0 H GLN A 145 -8.307 1.329 -7.373 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.817 1.557 -6.175 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.715 2.445 -8.870 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.289 2.939 -8.278 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -10.357 4.168 -6.474 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.794 3.392 -6.636 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.346 4.031 -8.271 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.559 5.551 -9.145 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.727 -0.353 -8.833 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.463 -1.329 -9.630 1.00 0.43 C ATOM 2343 C ASP A 146 -11.916 -2.508 -8.779 1.00 0.40 C ATOM 2344 O ASP A 146 -13.052 -2.972 -8.899 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.593 -1.813 -10.789 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.256 -2.909 -11.586 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -12.288 -2.641 -12.227 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -10.750 -4.046 -11.572 1.00 1.46 O ATOM 0 H ASP A 146 -9.740 -0.276 -9.077 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.355 -0.844 -10.028 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -10.369 -0.973 -11.447 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.642 -2.175 -10.399 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.031 -2.989 -7.916 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.370 -4.074 -7.010 1.00 0.51 C ATOM 2355 C LYS A 147 -12.409 -3.612 -5.991 1.00 0.48 C ATOM 2356 O LYS A 147 -13.356 -4.335 -5.685 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.113 -4.594 -6.304 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.397 -5.686 -5.288 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.183 -6.828 -5.907 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.738 -7.748 -4.840 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.709 -8.727 -5.390 1.00 1.74 N ATOM 0 H LYS A 147 -10.075 -2.645 -7.826 1.00 0.42 H new ATOM 0 HA LYS A 147 -11.799 -4.891 -7.591 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.418 -4.976 -7.052 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.617 -3.763 -5.803 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.457 -6.065 -4.887 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -10.956 -5.269 -4.450 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.000 -6.428 -6.508 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.539 -7.394 -6.581 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -10.917 -8.283 -4.362 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -12.224 -7.153 -4.067 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -13.439 -8.929 -4.678 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -13.156 -8.332 -6.242 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -12.213 -9.607 -5.636 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.238 -2.396 -5.482 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.192 -1.813 -4.548 1.00 0.40 C ATOM 2377 C ILE A 148 -14.562 -1.654 -5.198 1.00 0.42 C ATOM 2378 O ILE A 148 -15.593 -1.802 -4.544 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.702 -0.441 -4.047 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.509 -0.623 -3.109 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.822 0.322 -3.353 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -10.964 0.676 -2.565 1.00 0.37 C ATOM 0 H ILE A 148 -11.444 -1.794 -5.702 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.277 -2.492 -3.700 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.386 0.147 -4.908 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.806 -1.260 -2.276 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.715 -1.146 -3.642 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.447 1.286 -3.010 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.643 0.480 -4.053 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.179 -0.253 -2.499 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.120 0.469 -1.908 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.635 1.307 -3.391 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.744 1.191 -2.003 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.561 -1.362 -6.491 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.801 -1.183 -7.239 1.00 0.49 C ATOM 2396 C ASP A 149 -16.641 -2.453 -7.182 1.00 0.55 C ATOM 2397 O ASP A 149 -17.871 -2.403 -7.189 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.487 -0.817 -8.690 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.705 -0.334 -9.452 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.150 0.806 -9.200 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -17.201 -1.070 -10.328 1.00 0.77 O ATOM 0 H ASP A 149 -13.714 -1.243 -7.047 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.372 -0.371 -6.787 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.723 -0.040 -8.706 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -15.069 -1.687 -9.197 1.00 0.54 H new ATOM 2406 N GLU A 150 -15.959 -3.586 -7.087 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.618 -4.875 -6.957 1.00 0.68 C ATOM 2408 C GLU A 150 -17.286 -4.982 -5.601 1.00 0.75 C ATOM 2409 O GLU A 150 -18.432 -5.407 -5.487 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.599 -5.999 -7.115 1.00 0.76 C ATOM 2411 CG GLU A 150 -14.922 -5.999 -8.467 1.00 0.78 C ATOM 2412 CD GLU A 150 -13.806 -7.007 -8.567 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.879 -6.772 -9.365 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -13.854 -8.035 -7.854 1.00 1.50 O ATOM 0 H GLU A 150 -14.940 -3.636 -7.098 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.374 -4.963 -7.737 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.842 -5.907 -6.336 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.097 -6.957 -6.964 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.663 -6.208 -9.238 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.525 -5.004 -8.668 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.563 -4.553 -4.584 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.041 -4.619 -3.215 1.00 0.84 C ATOM 2423 C GLU A 151 -18.181 -3.629 -3.013 1.00 0.88 C ATOM 2424 O GLU A 151 -18.946 -3.722 -2.052 1.00 1.06 O ATOM 2425 CB GLU A 151 -15.895 -4.313 -2.251 1.00 0.86 C ATOM 2426 CG GLU A 151 -14.652 -5.162 -2.493 1.00 0.95 C ATOM 2427 CD GLU A 151 -14.913 -6.648 -2.340 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.256 -7.302 -3.344 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -14.779 -7.172 -1.215 1.00 1.63 O ATOM 0 H GLU A 151 -15.631 -4.150 -4.682 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.412 -5.624 -3.013 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -15.628 -3.260 -2.339 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.239 -4.470 -1.229 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.274 -4.966 -3.496 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -13.871 -4.862 -1.794 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.277 -2.678 -3.930 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.334 -1.699 -3.885 1.00 0.96 C ATOM 2438 C GLY A 152 -20.578 -2.151 -4.620 1.00 1.04 C ATOM 2439 O GLY A 152 -21.692 -1.918 -4.148 1.00 1.32 O ATOM 0 H GLY A 152 -17.631 -2.570 -4.712 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -19.587 -1.490 -2.845 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -18.978 -0.765 -4.321 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.395 -2.797 -5.773 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.530 -3.215 -6.595 1.00 1.47 C ATOM 2445 C ALA A 153 -21.122 -4.107 -7.771 1.00 1.29 C ATOM 2446 O ALA A 153 -21.929 -4.906 -8.249 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.270 -1.991 -7.115 1.00 1.92 C ATOM 0 H ALA A 153 -19.481 -3.040 -6.155 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.181 -3.809 -5.954 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.114 -2.309 -7.727 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -22.633 -1.401 -6.274 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -21.593 -1.385 -7.718 1.00 1.92 H new ATOM 2453 N LYS A 154 -19.886 -3.971 -8.243 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.437 -4.690 -9.436 1.00 1.02 C ATOM 2455 C LYS A 154 -19.155 -6.165 -9.133 1.00 1.38 C ATOM 2456 O LYS A 154 -18.003 -6.596 -9.075 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.188 -4.020 -10.020 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.793 -4.538 -11.395 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.353 -5.025 -11.421 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.347 -3.887 -11.290 1.00 0.73 C ATOM 2461 NZ LYS A 154 -13.956 -4.402 -11.226 1.00 1.32 N ATOM 0 H LYS A 154 -19.177 -3.371 -7.820 1.00 1.09 H new ATOM 0 HA LYS A 154 -20.241 -4.650 -10.171 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -18.361 -2.946 -10.084 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.354 -4.169 -9.334 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.458 -5.353 -11.681 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.923 -3.746 -12.133 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.199 -5.736 -10.609 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -16.171 -5.560 -12.353 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.448 -3.210 -12.138 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.564 -3.308 -10.393 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.519 -4.111 -10.328 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -13.967 -5.440 -11.285 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -13.406 -4.016 -12.020 1.00 1.32 H new ATOM 2475 N LYS A 155 -20.207 -6.935 -8.931 1.00 1.82 N ATOM 2476 CA LYS A 155 -20.075 -8.364 -8.697 1.00 2.44 C ATOM 2477 C LYS A 155 -20.980 -9.131 -9.641 1.00 3.14 C ATOM 2478 O LYS A 155 -22.184 -9.260 -9.337 1.00 3.71 O ATOM 2479 CB LYS A 155 -20.396 -8.711 -7.241 1.00 2.82 C ATOM 2480 CG LYS A 155 -19.344 -8.220 -6.264 1.00 2.95 C ATOM 2481 CD LYS A 155 -19.694 -8.567 -4.829 1.00 3.46 C ATOM 2482 CE LYS A 155 -18.611 -8.096 -3.871 1.00 3.45 C ATOM 2483 NZ LYS A 155 -17.307 -8.766 -4.125 1.00 4.22 N ATOM 2484 OXT LYS A 155 -20.490 -9.574 -10.695 1.00 3.60 O ATOM 0 H LYS A 155 -21.168 -6.594 -8.924 1.00 1.82 H new ATOM 0 HA LYS A 155 -19.042 -8.652 -8.890 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -21.360 -8.278 -6.975 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -20.495 -9.792 -7.145 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -18.380 -8.660 -6.518 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -19.237 -7.140 -6.360 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -20.645 -8.106 -4.562 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -19.824 -9.645 -4.734 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -18.488 -7.017 -3.966 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -18.925 -8.292 -2.846 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -16.608 -8.440 -3.428 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -17.424 -9.796 -4.042 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -16.977 -8.531 -5.083 1.00 4.22 H new TER 2498 LYS A 155