USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD NoAdj-H: B 315 ALY H : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 135 GLN : amide:sc= 0.697 K(o=1.7,f=-4.4!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -135:sc= 0.946 (180deg=0.00501) USER MOD Set 1.3: A 139 GLN : amide:sc= 0.0167 K(o=1.7,f=-4!) USER MOD Set 2.1: A 73 TYR OH : rot 64:sc= 0.946 USER MOD Set 2.2: A 111 ASN : amide:sc= -0.216 K(o=0.73,f=-2.3!) USER MOD Set 3.1: A 103 GLN : amide:sc= 0.163 X(o=1.5,f=1.1) USER MOD Set 3.2: A 107 THR OG1 : rot 85:sc= 1.38 USER MOD Set 4.1: A 36 THR OG1 : rot -123:sc= 0.458 USER MOD Set 4.2: A 97 SER OG : rot -147:sc= 1.41 USER MOD Set 4.3: A 99 SER OG : rot -130:sc= 1.06 USER MOD Set 5.1: A 42 MET CE :methyl -127:sc= -1.44 (180deg=-3.67!) USER MOD Set 5.2: A 95 TYR OH : rot 67:sc= 1.06 USER MOD Set 5.3: A 101 CYS SG : rot 26:sc= 1.72 USER MOD Set 5.4: A 102 MET CE :methyl -127:sc= -0.129 (180deg=0) USER MOD Set 5.5: A 140 MET CE :methyl -124:sc= -0.962 (180deg=-3.42!) USER MOD Set 6.1: A 88 LYS NZ :NH3+ -118:sc= 2.35 (180deg=-0.34) USER MOD Set 6.2: A 92 ASN : amide:sc= 1.08 K(o=3.4,f=-6.5) USER MOD Single : A 24 SER OG : rot 25:sc= 0.0601 USER MOD Single : A 27 SER OG : rot -19:sc= 0.351 USER MOD Single : A 28 ASN : amide:sc= 1.38 K(o=1.4,f=-6.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= -0.331 (180deg=-1.23!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.8!) USER MOD Single : A 38 GLN : amide:sc= 1.12 K(o=1.1,f=-0.18) USER MOD Single : A 40 GLN : amide:sc= -0.0293 X(o=-0.029,f=0) USER MOD Single : A 41 TYR OH : rot 3:sc= -1.41! USER MOD Single : A 43 GLN : amide:sc= -0.739 K(o=-0.74,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.469 X(o=0.47,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 113:sc= 1.29 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.15 K(o=-3.2,f=-5.4!) USER MOD Single : A 54 GLN : amide:sc= -0.458 X(o=-0.46,f=-0.5) USER MOD Single : A 60 TYR OH : rot -27:sc= 1.26 USER MOD Single : A 61 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.0073) USER MOD Single : A 67 LYS NZ :NH3+ -163:sc= -0.0145 (180deg=-0.346) USER MOD Single : A 69 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.4!) USER MOD Single : A 74 HIS : no HD1:sc= -0.439 K(o=-0.44,f=-0.98) USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= 1.24 (180deg=0.0163) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-1.34e-05 X(o=-1.3e-05,f=-0.48) USER MOD Single : A 81 MET CE :methyl -171:sc= -0.172 (180deg=-0.365) USER MOD Single : A 83 MET CE :methyl -152:sc= 0 (180deg=-1.03) USER MOD Single : A 85 THR OG1 : rot 102:sc= 0.948 USER MOD Single : A 87 LYS NZ :NH3+ -168:sc= 1.3 (180deg=0.634) USER MOD Single : A 93 ASN : amide:sc= 0.285 K(o=0.28,f=-1.1) USER MOD Single : A 94 TYR OH : rot -25:sc= 0.887 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 MET CE :methyl -152:sc= -0.134 (180deg=-0.219) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 112 CYS SG : rot -63:sc= -1.11 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 1.67 K(o=1.7,f=-0.42) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 MET CE :methyl 177:sc= 0 (180deg=-0.0224) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 314 LYS NZ :NH3+ -111:sc= 1.02 (180deg=-4.61!) USER MOD Single : B 316 LYS NZ :NH3+ -128:sc= 0.932 (180deg=0.0819) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 -5.400 -11.846 4.445 1.00 5.93 N ATOM 2 CA PRO A 21 -5.744 -12.152 3.043 1.00 5.16 C ATOM 3 C PRO A 21 -5.180 -13.507 2.643 1.00 4.32 C ATOM 4 O PRO A 21 -4.801 -14.301 3.504 1.00 4.31 O ATOM 5 CB PRO A 21 -5.179 -11.055 2.150 1.00 4.92 C ATOM 6 CG PRO A 21 -4.490 -10.132 3.096 1.00 5.41 C ATOM 7 CD PRO A 21 -5.063 -10.414 4.468 1.00 6.18 C ATOM 0 HA PRO A 21 -6.827 -12.193 2.931 1.00 5.16 H new ATOM 0 HB2 PRO A 21 -4.486 -11.459 1.412 1.00 4.92 H new ATOM 0 HB3 PRO A 21 -5.968 -10.544 1.599 1.00 4.92 H new ATOM 0 HG2 PRO A 21 -3.413 -10.298 3.084 1.00 5.41 H new ATOM 0 HG3 PRO A 21 -4.655 -9.092 2.813 1.00 5.41 H new ATOM 0 HD2 PRO A 21 -4.340 -10.190 5.253 1.00 6.18 H new ATOM 0 HD3 PRO A 21 -5.944 -9.803 4.662 1.00 6.18 H new ATOM 16 N LEU A 22 -5.120 -13.761 1.341 1.00 4.14 N ATOM 17 CA LEU A 22 -4.593 -15.022 0.825 1.00 3.85 C ATOM 18 C LEU A 22 -3.068 -15.076 0.955 1.00 3.48 C ATOM 19 O LEU A 22 -2.463 -14.246 1.642 1.00 4.01 O ATOM 20 CB LEU A 22 -5.007 -15.212 -0.639 1.00 4.67 C ATOM 21 CG LEU A 22 -5.022 -13.938 -1.490 1.00 5.12 C ATOM 22 CD1 LEU A 22 -4.033 -14.052 -2.641 1.00 5.71 C ATOM 23 CD2 LEU A 22 -6.423 -13.665 -2.012 1.00 5.61 C ATOM 0 H LEU A 22 -5.430 -13.109 0.620 1.00 4.14 H new ATOM 0 HA LEU A 22 -5.013 -15.833 1.420 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -4.328 -15.929 -1.101 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -6.002 -15.656 -0.662 1.00 4.67 H new ATOM 0 HG LEU A 22 -4.720 -13.100 -0.862 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -4.058 -13.138 -3.234 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -3.029 -14.200 -2.244 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -4.303 -14.900 -3.270 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -6.416 -12.757 -2.614 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -6.753 -14.504 -2.624 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -7.106 -13.538 -1.172 1.00 5.61 H new ATOM 35 N GLY A 23 -2.453 -16.047 0.290 1.00 3.17 N ATOM 36 CA GLY A 23 -1.016 -16.222 0.382 1.00 3.45 C ATOM 37 C GLY A 23 -0.245 -15.199 -0.426 1.00 2.96 C ATOM 38 O GLY A 23 0.233 -15.491 -1.522 1.00 3.32 O ATOM 0 H GLY A 23 -2.927 -16.719 -0.314 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -0.713 -16.155 1.427 1.00 3.45 H new ATOM 0 HA3 GLY A 23 -0.754 -17.222 0.037 1.00 3.45 H new ATOM 42 N SER A 24 -0.141 -13.993 0.105 1.00 2.37 N ATOM 43 CA SER A 24 0.651 -12.952 -0.517 1.00 1.94 C ATOM 44 C SER A 24 2.055 -12.943 0.064 1.00 1.65 C ATOM 45 O SER A 24 2.230 -12.973 1.284 1.00 1.75 O ATOM 46 CB SER A 24 -0.006 -11.602 -0.317 1.00 2.01 C ATOM 47 OG SER A 24 -0.156 -11.304 1.061 1.00 2.44 O ATOM 0 H SER A 24 -0.600 -13.712 0.972 1.00 2.37 H new ATOM 0 HA SER A 24 0.715 -13.154 -1.586 1.00 1.94 H new ATOM 0 HB2 SER A 24 0.594 -10.828 -0.796 1.00 2.01 H new ATOM 0 HB3 SER A 24 -0.982 -11.594 -0.802 1.00 2.01 H new ATOM 0 HG SER A 24 0.518 -11.794 1.577 1.00 2.44 H new ATOM 53 N GLU A 25 3.046 -12.916 -0.811 1.00 1.39 N ATOM 54 CA GLU A 25 4.433 -12.918 -0.395 1.00 1.23 C ATOM 55 C GLU A 25 4.788 -11.667 0.396 1.00 1.05 C ATOM 56 O GLU A 25 4.584 -10.542 -0.062 1.00 1.12 O ATOM 57 CB GLU A 25 5.343 -13.023 -1.605 1.00 1.48 C ATOM 58 CG GLU A 25 5.837 -14.426 -1.844 1.00 1.13 C ATOM 59 CD GLU A 25 6.607 -14.558 -3.143 1.00 1.28 C ATOM 60 OE1 GLU A 25 7.634 -13.868 -3.302 1.00 1.43 O ATOM 61 OE2 GLU A 25 6.202 -15.369 -4.004 1.00 1.64 O ATOM 0 H GLU A 25 2.911 -12.892 -1.822 1.00 1.39 H new ATOM 0 HA GLU A 25 4.576 -13.783 0.253 1.00 1.23 H new ATOM 0 HB2 GLU A 25 4.807 -12.676 -2.488 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.197 -12.360 -1.470 1.00 1.48 H new ATOM 0 HG2 GLU A 25 6.476 -14.729 -1.014 1.00 1.13 H new ATOM 0 HG3 GLU A 25 4.988 -15.109 -1.858 1.00 1.13 H new ATOM 68 N VAL A 26 5.321 -11.884 1.585 1.00 0.93 N ATOM 69 CA VAL A 26 5.779 -10.796 2.428 1.00 0.84 C ATOM 70 C VAL A 26 7.304 -10.788 2.482 1.00 0.83 C ATOM 71 O VAL A 26 7.926 -9.791 2.848 1.00 0.85 O ATOM 72 CB VAL A 26 5.189 -10.913 3.853 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.834 -12.059 4.622 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.338 -9.601 4.609 1.00 0.83 C ATOM 0 H VAL A 26 5.448 -12.811 1.990 1.00 0.93 H new ATOM 0 HA VAL A 26 5.433 -9.856 1.998 1.00 0.84 H new ATOM 0 HB VAL A 26 4.125 -11.132 3.758 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.400 -12.117 5.620 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.658 -12.996 4.094 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.907 -11.885 4.703 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.916 -9.707 5.608 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.394 -9.344 4.686 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.810 -8.811 4.074 1.00 0.83 H new ATOM 84 N SER A 27 7.892 -11.908 2.087 1.00 0.91 N ATOM 85 CA SER A 27 9.335 -12.087 2.102 1.00 1.00 C ATOM 86 C SER A 27 9.706 -13.247 1.192 1.00 1.07 C ATOM 87 O SER A 27 9.018 -14.268 1.177 1.00 1.19 O ATOM 88 CB SER A 27 9.834 -12.366 3.524 1.00 1.15 C ATOM 89 OG SER A 27 9.446 -11.337 4.420 1.00 1.61 O ATOM 0 H SER A 27 7.379 -12.721 1.746 1.00 0.91 H new ATOM 0 HA SER A 27 9.806 -11.171 1.746 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.437 -13.320 3.870 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.920 -12.456 3.519 1.00 1.15 H new ATOM 0 HG SER A 27 9.220 -10.530 3.913 1.00 1.61 H new ATOM 95 N ASN A 28 10.770 -13.083 0.425 1.00 1.07 N ATOM 96 CA ASN A 28 11.235 -14.143 -0.458 1.00 1.18 C ATOM 97 C ASN A 28 12.749 -14.299 -0.339 1.00 1.23 C ATOM 98 O ASN A 28 13.495 -13.351 -0.565 1.00 1.12 O ATOM 99 CB ASN A 28 10.840 -13.848 -1.910 1.00 1.19 C ATOM 100 CG ASN A 28 10.968 -15.064 -2.815 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.040 -15.657 -2.933 1.00 1.60 O ATOM 102 ND2 ASN A 28 9.880 -15.438 -3.467 1.00 1.48 N ATOM 0 H ASN A 28 11.328 -12.230 0.394 1.00 1.07 H new ATOM 0 HA ASN A 28 10.761 -15.078 -0.158 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.811 -13.488 -1.936 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.468 -13.045 -2.297 1.00 1.19 H new ATOM 0 HD21 ASN A 28 9.912 -16.243 -4.093 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.009 -14.922 -3.344 1.00 1.48 H new ATOM 109 N PRO A 29 13.210 -15.499 0.044 1.00 1.46 N ATOM 110 CA PRO A 29 14.641 -15.798 0.226 1.00 1.60 C ATOM 111 C PRO A 29 15.387 -15.956 -1.098 1.00 1.54 C ATOM 112 O PRO A 29 16.543 -15.555 -1.226 1.00 1.54 O ATOM 113 CB PRO A 29 14.606 -17.134 0.959 1.00 1.87 C ATOM 114 CG PRO A 29 13.372 -17.778 0.446 1.00 1.86 C ATOM 115 CD PRO A 29 12.367 -16.672 0.348 1.00 1.65 C ATOM 0 HA PRO A 29 15.162 -14.997 0.751 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.491 -17.733 0.744 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.568 -16.998 2.040 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.544 -18.242 -0.525 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.029 -18.564 1.118 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.634 -16.859 -0.436 1.00 1.65 H new ATOM 0 HD3 PRO A 29 11.813 -16.543 1.278 1.00 1.65 H new ATOM 123 N SER A 30 14.715 -16.557 -2.075 1.00 1.57 N ATOM 124 CA SER A 30 15.283 -16.769 -3.393 1.00 1.63 C ATOM 125 C SER A 30 15.427 -15.435 -4.108 1.00 1.47 C ATOM 126 O SER A 30 16.260 -15.263 -5.001 1.00 1.58 O ATOM 127 CB SER A 30 14.378 -17.703 -4.186 1.00 1.81 C ATOM 128 OG SER A 30 14.107 -18.887 -3.452 1.00 2.18 O ATOM 0 H SER A 30 13.763 -16.909 -1.971 1.00 1.57 H new ATOM 0 HA SER A 30 16.270 -17.223 -3.302 1.00 1.63 H new ATOM 0 HB2 SER A 30 13.443 -17.195 -4.424 1.00 1.81 H new ATOM 0 HB3 SER A 30 14.852 -17.958 -5.134 1.00 1.81 H new ATOM 0 HG SER A 30 13.523 -19.472 -3.979 1.00 2.18 H new ATOM 134 N LYS A 31 14.597 -14.497 -3.696 1.00 1.28 N ATOM 135 CA LYS A 31 14.671 -13.135 -4.191 1.00 1.14 C ATOM 136 C LYS A 31 15.734 -12.370 -3.416 1.00 1.01 C ATOM 137 O LYS A 31 15.806 -12.481 -2.190 1.00 1.03 O ATOM 138 CB LYS A 31 13.314 -12.441 -4.044 1.00 1.14 C ATOM 139 CG LYS A 31 13.146 -11.211 -4.923 1.00 1.18 C ATOM 140 CD LYS A 31 12.197 -10.200 -4.297 1.00 1.26 C ATOM 141 CE LYS A 31 10.747 -10.486 -4.661 1.00 1.93 C ATOM 142 NZ LYS A 31 10.553 -10.611 -6.128 1.00 2.75 N ATOM 0 H LYS A 31 13.856 -14.655 -3.013 1.00 1.28 H new ATOM 0 HA LYS A 31 14.938 -13.154 -5.248 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.525 -13.155 -4.282 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.177 -12.151 -3.002 1.00 1.14 H new ATOM 0 HG2 LYS A 31 14.118 -10.745 -5.087 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.767 -11.510 -5.900 1.00 1.18 H new ATOM 0 HD2 LYS A 31 12.310 -10.218 -3.213 1.00 1.26 H new ATOM 0 HD3 LYS A 31 12.464 -9.197 -4.629 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.426 -11.407 -4.174 1.00 1.93 H new ATOM 0 HE3 LYS A 31 10.113 -9.686 -4.279 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 9.563 -10.400 -6.367 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.178 -9.941 -6.619 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 10.782 -11.580 -6.427 1.00 2.75 H new ATOM 156 N PRO A 32 16.597 -11.619 -4.112 1.00 0.99 N ATOM 157 CA PRO A 32 17.590 -10.773 -3.457 1.00 0.97 C ATOM 158 C PRO A 32 16.930 -9.800 -2.492 1.00 0.85 C ATOM 159 O PRO A 32 15.944 -9.142 -2.828 1.00 0.89 O ATOM 160 CB PRO A 32 18.264 -10.023 -4.606 1.00 1.14 C ATOM 161 CG PRO A 32 17.374 -10.220 -5.790 1.00 1.38 C ATOM 162 CD PRO A 32 16.685 -11.536 -5.577 1.00 1.13 C ATOM 0 HA PRO A 32 18.297 -11.351 -2.863 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.376 -8.964 -4.371 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.263 -10.414 -4.797 1.00 1.14 H new ATOM 0 HG2 PRO A 32 16.650 -9.410 -5.873 1.00 1.38 H new ATOM 0 HG3 PRO A 32 17.951 -10.227 -6.715 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.700 -11.558 -6.044 1.00 1.13 H new ATOM 0 HD3 PRO A 32 17.255 -12.365 -5.996 1.00 1.13 H new ATOM 170 N GLY A 33 17.492 -9.704 -1.308 1.00 0.83 N ATOM 171 CA GLY A 33 16.865 -8.952 -0.247 1.00 0.79 C ATOM 172 C GLY A 33 17.780 -7.894 0.307 1.00 0.76 C ATOM 173 O GLY A 33 18.265 -7.996 1.434 1.00 0.97 O ATOM 0 H GLY A 33 18.381 -10.137 -1.057 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.955 -8.484 -0.622 1.00 0.79 H new ATOM 0 HA3 GLY A 33 16.568 -9.631 0.553 1.00 0.79 H new ATOM 177 N ARG A 34 18.033 -6.886 -0.500 1.00 0.81 N ATOM 178 CA ARG A 34 18.868 -5.778 -0.090 1.00 0.79 C ATOM 179 C ARG A 34 17.987 -4.597 0.287 1.00 0.79 C ATOM 180 O ARG A 34 16.761 -4.693 0.246 1.00 0.97 O ATOM 181 CB ARG A 34 19.834 -5.397 -1.216 1.00 0.82 C ATOM 182 CG ARG A 34 20.416 -6.596 -1.951 1.00 1.24 C ATOM 183 CD ARG A 34 21.893 -6.789 -1.644 1.00 1.04 C ATOM 184 NE ARG A 34 22.745 -6.050 -2.575 1.00 0.98 N ATOM 185 CZ ARG A 34 23.408 -6.603 -3.591 1.00 1.43 C ATOM 186 NH1 ARG A 34 23.303 -7.903 -3.839 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.159 -5.846 -4.376 1.00 1.56 N ATOM 0 H ARG A 34 17.669 -6.811 -1.450 1.00 0.81 H new ATOM 0 HA ARG A 34 19.460 -6.070 0.777 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.312 -4.761 -1.931 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.650 -4.806 -0.799 1.00 0.82 H new ATOM 0 HG2 ARG A 34 19.867 -7.495 -1.671 1.00 1.24 H new ATOM 0 HG3 ARG A 34 20.283 -6.463 -3.025 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.098 -6.460 -0.625 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.138 -7.850 -1.692 1.00 1.04 H new ATOM 0 HE ARG A 34 22.838 -5.044 -2.438 1.00 0.98 H new ATOM 0 HH11 ARG A 34 22.711 -8.488 -3.250 1.00 1.93 H new ATOM 0 HH12 ARG A 34 23.814 -8.316 -4.619 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.229 -4.843 -4.202 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.668 -6.266 -5.154 1.00 1.56 H new ATOM 201 N LYS A 35 18.602 -3.494 0.669 1.00 0.80 N ATOM 202 CA LYS A 35 17.856 -2.299 1.014 1.00 0.82 C ATOM 203 C LYS A 35 18.612 -1.064 0.547 1.00 0.77 C ATOM 204 O LYS A 35 19.835 -0.988 0.666 1.00 0.93 O ATOM 205 CB LYS A 35 17.589 -2.250 2.525 1.00 0.87 C ATOM 206 CG LYS A 35 18.687 -1.582 3.341 1.00 1.42 C ATOM 207 CD LYS A 35 19.438 -2.588 4.194 1.00 1.71 C ATOM 208 CE LYS A 35 18.612 -3.019 5.393 1.00 1.85 C ATOM 209 NZ LYS A 35 19.367 -3.929 6.290 1.00 2.64 N ATOM 0 H LYS A 35 19.615 -3.401 0.748 1.00 0.80 H new ATOM 0 HA LYS A 35 16.891 -2.322 0.508 1.00 0.82 H new ATOM 0 HB2 LYS A 35 16.652 -1.720 2.698 1.00 0.87 H new ATOM 0 HB3 LYS A 35 17.452 -3.268 2.890 1.00 0.87 H new ATOM 0 HG2 LYS A 35 19.384 -1.079 2.671 1.00 1.42 H new ATOM 0 HG3 LYS A 35 18.251 -0.815 3.981 1.00 1.42 H new ATOM 0 HD2 LYS A 35 19.692 -3.460 3.592 1.00 1.71 H new ATOM 0 HD3 LYS A 35 20.377 -2.151 4.534 1.00 1.71 H new ATOM 0 HE2 LYS A 35 18.297 -2.138 5.952 1.00 1.85 H new ATOM 0 HE3 LYS A 35 17.706 -3.518 5.049 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 18.767 -4.199 7.095 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 19.646 -4.782 5.764 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 20.218 -3.444 6.640 1.00 2.64 H new ATOM 223 N THR A 36 17.890 -0.115 -0.017 1.00 0.59 N ATOM 224 CA THR A 36 18.501 1.112 -0.486 1.00 0.54 C ATOM 225 C THR A 36 17.888 2.309 0.222 1.00 0.46 C ATOM 226 O THR A 36 16.944 2.157 1.003 1.00 0.46 O ATOM 227 CB THR A 36 18.352 1.283 -2.017 1.00 0.56 C ATOM 228 OG1 THR A 36 17.084 1.884 -2.332 1.00 0.54 O ATOM 229 CG2 THR A 36 18.469 -0.053 -2.742 1.00 0.68 C ATOM 0 H THR A 36 16.882 -0.170 -0.161 1.00 0.59 H new ATOM 0 HA THR A 36 19.565 1.053 -0.256 1.00 0.54 H new ATOM 0 HB THR A 36 19.161 1.932 -2.353 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.589 1.302 -2.946 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.360 0.105 -3.815 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.445 -0.494 -2.538 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.686 -0.726 -2.392 1.00 0.68 H new ATOM 237 N ASN A 37 18.444 3.486 -0.042 1.00 0.42 N ATOM 238 CA ASN A 37 17.911 4.738 0.484 1.00 0.40 C ATOM 239 C ASN A 37 16.414 4.830 0.206 1.00 0.33 C ATOM 240 O ASN A 37 15.635 5.160 1.090 1.00 0.33 O ATOM 241 CB ASN A 37 18.658 5.924 -0.146 1.00 0.48 C ATOM 242 CG ASN A 37 18.202 7.287 0.369 1.00 0.72 C ATOM 243 OD1 ASN A 37 17.324 7.391 1.223 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.801 8.348 -0.152 1.00 0.78 N ATOM 0 H ASN A 37 19.274 3.600 -0.624 1.00 0.42 H new ATOM 0 HA ASN A 37 18.058 4.768 1.564 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.725 5.812 0.047 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.524 5.892 -1.227 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.537 9.284 0.154 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.526 8.228 -0.859 1.00 0.78 H new ATOM 251 N GLN A 38 16.021 4.484 -1.016 1.00 0.33 N ATOM 252 CA GLN A 38 14.616 4.508 -1.414 1.00 0.31 C ATOM 253 C GLN A 38 13.790 3.560 -0.548 1.00 0.26 C ATOM 254 O GLN A 38 12.692 3.906 -0.102 1.00 0.25 O ATOM 255 CB GLN A 38 14.481 4.110 -2.886 1.00 0.36 C ATOM 256 CG GLN A 38 14.158 5.273 -3.810 1.00 0.46 C ATOM 257 CD GLN A 38 14.098 4.854 -5.265 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.482 3.845 -5.606 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.740 5.626 -6.131 1.00 0.55 N ATOM 0 H GLN A 38 16.659 4.182 -1.752 1.00 0.33 H new ATOM 0 HA GLN A 38 14.240 5.522 -1.276 1.00 0.31 H new ATOM 0 HB2 GLN A 38 15.411 3.646 -3.214 1.00 0.36 H new ATOM 0 HB3 GLN A 38 13.699 3.357 -2.979 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.202 5.709 -3.520 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.913 6.050 -3.689 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.238 6.454 -5.804 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.736 5.392 -7.124 1.00 0.55 H new ATOM 268 N LEU A 39 14.342 2.373 -0.310 1.00 0.28 N ATOM 269 CA LEU A 39 13.677 1.331 0.479 1.00 0.31 C ATOM 270 C LEU A 39 13.278 1.862 1.855 1.00 0.29 C ATOM 271 O LEU A 39 12.104 1.832 2.233 1.00 0.30 O ATOM 272 CB LEU A 39 14.614 0.118 0.632 1.00 0.38 C ATOM 273 CG LEU A 39 13.958 -1.220 1.017 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.721 -1.302 2.517 1.00 0.63 C ATOM 275 CD2 LEU A 39 12.658 -1.431 0.258 1.00 0.80 C ATOM 0 H LEU A 39 15.262 2.103 -0.657 1.00 0.28 H new ATOM 0 HA LEU A 39 12.771 1.025 -0.044 1.00 0.31 H new ATOM 0 HB2 LEU A 39 15.145 -0.022 -0.310 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.362 0.359 1.387 1.00 0.38 H new ATOM 0 HG LEU A 39 14.647 -2.017 0.738 1.00 0.45 H new ATOM 0 HD11 LEU A 39 13.257 -2.258 2.760 1.00 0.63 H new ATOM 0 HD12 LEU A 39 14.673 -1.217 3.041 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.063 -0.490 2.826 1.00 0.63 H new ATOM 0 HD21 LEU A 39 12.217 -2.384 0.550 1.00 0.80 H new ATOM 0 HD22 LEU A 39 11.965 -0.623 0.492 1.00 0.80 H new ATOM 0 HD23 LEU A 39 12.859 -1.437 -0.813 1.00 0.80 H new ATOM 287 N GLN A 40 14.262 2.358 2.590 1.00 0.29 N ATOM 288 CA GLN A 40 14.030 2.867 3.934 1.00 0.30 C ATOM 289 C GLN A 40 13.250 4.178 3.898 1.00 0.26 C ATOM 290 O GLN A 40 12.473 4.477 4.813 1.00 0.28 O ATOM 291 CB GLN A 40 15.362 3.067 4.654 1.00 0.36 C ATOM 292 CG GLN A 40 15.775 1.875 5.500 1.00 0.42 C ATOM 293 CD GLN A 40 15.216 1.944 6.905 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.354 1.151 7.285 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.695 2.900 7.685 1.00 0.83 N ATOM 0 H GLN A 40 15.231 2.419 2.278 1.00 0.29 H new ATOM 0 HA GLN A 40 13.434 2.134 4.478 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.139 3.266 3.916 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.294 3.949 5.291 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.434 0.957 5.021 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.863 1.825 5.547 1.00 0.42 H new ATOM 0 HE21 GLN A 40 16.409 3.537 7.331 1.00 0.83 H new ATOM 0 HE22 GLN A 40 15.350 3.000 8.640 1.00 0.83 H new ATOM 304 N TYR A 41 13.457 4.946 2.832 1.00 0.25 N ATOM 305 CA TYR A 41 12.799 6.225 2.657 1.00 0.24 C ATOM 306 C TYR A 41 11.285 6.077 2.668 1.00 0.22 C ATOM 307 O TYR A 41 10.623 6.576 3.564 1.00 0.23 O ATOM 308 CB TYR A 41 13.254 6.861 1.341 1.00 0.24 C ATOM 309 CG TYR A 41 12.624 8.197 1.049 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.417 8.287 0.374 1.00 0.32 C ATOM 311 CD2 TYR A 41 13.240 9.369 1.450 1.00 0.42 C ATOM 312 CE1 TYR A 41 10.846 9.513 0.101 1.00 0.44 C ATOM 313 CE2 TYR A 41 12.680 10.595 1.186 1.00 0.52 C ATOM 314 CZ TYR A 41 11.445 10.648 0.511 1.00 0.53 C ATOM 315 OH TYR A 41 10.932 11.897 0.240 1.00 0.64 O ATOM 0 H TYR A 41 14.086 4.694 2.069 1.00 0.25 H new ATOM 0 HA TYR A 41 13.077 6.869 3.491 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.337 6.980 1.364 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.026 6.178 0.523 1.00 0.24 H new ATOM 0 HD1 TYR A 41 10.916 7.384 0.057 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.179 9.319 1.981 1.00 0.42 H new ATOM 0 HE1 TYR A 41 9.915 9.563 -0.444 1.00 0.44 H new ATOM 0 HE2 TYR A 41 13.178 11.503 1.491 1.00 0.52 H new ATOM 0 HH TYR A 41 10.079 11.805 -0.233 1.00 0.64 H new ATOM 325 N MET A 42 10.742 5.362 1.692 1.00 0.20 N ATOM 326 CA MET A 42 9.300 5.291 1.513 1.00 0.20 C ATOM 327 C MET A 42 8.623 4.709 2.749 1.00 0.21 C ATOM 328 O MET A 42 7.496 5.077 3.078 1.00 0.22 O ATOM 329 CB MET A 42 8.968 4.456 0.268 1.00 0.23 C ATOM 330 CG MET A 42 7.533 3.949 0.212 1.00 0.80 C ATOM 331 SD MET A 42 6.646 4.537 -1.241 1.00 1.07 S ATOM 332 CE MET A 42 7.134 3.302 -2.439 1.00 1.13 C ATOM 0 H MET A 42 11.279 4.823 1.013 1.00 0.20 H new ATOM 0 HA MET A 42 8.918 6.302 1.371 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.162 5.058 -0.620 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.644 3.602 0.228 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.536 2.859 0.214 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.004 4.268 1.110 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.540 3.793 -3.323 1.00 1.13 H new ATOM 0 HE2 MET A 42 7.894 2.653 -2.004 1.00 1.13 H new ATOM 0 HE3 MET A 42 6.266 2.706 -2.721 1.00 1.13 H new ATOM 342 N GLN A 43 9.333 3.832 3.442 1.00 0.24 N ATOM 343 CA GLN A 43 8.809 3.199 4.645 1.00 0.30 C ATOM 344 C GLN A 43 8.517 4.233 5.736 1.00 0.30 C ATOM 345 O GLN A 43 7.418 4.278 6.289 1.00 0.33 O ATOM 346 CB GLN A 43 9.804 2.158 5.163 1.00 0.42 C ATOM 347 CG GLN A 43 9.223 1.224 6.213 1.00 0.84 C ATOM 348 CD GLN A 43 10.263 0.298 6.818 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.184 -0.058 7.992 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.247 -0.094 6.023 1.00 0.54 N ATOM 0 H GLN A 43 10.278 3.541 3.191 1.00 0.24 H new ATOM 0 HA GLN A 43 7.871 2.707 4.387 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.166 1.565 4.323 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.667 2.672 5.585 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.765 1.816 7.006 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.430 0.627 5.763 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.277 0.224 5.054 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.975 -0.714 6.380 1.00 0.54 H new ATOM 359 N ASN A 44 9.506 5.047 6.055 1.00 0.30 N ATOM 360 CA ASN A 44 9.362 6.039 7.117 1.00 0.33 C ATOM 361 C ASN A 44 8.789 7.350 6.600 1.00 0.31 C ATOM 362 O ASN A 44 8.147 8.092 7.337 1.00 0.34 O ATOM 363 CB ASN A 44 10.709 6.299 7.797 1.00 0.37 C ATOM 364 CG ASN A 44 11.266 5.066 8.482 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.938 4.786 9.637 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.113 4.325 7.784 1.00 0.47 N ATOM 0 H ASN A 44 10.418 5.045 5.598 1.00 0.30 H new ATOM 0 HA ASN A 44 8.661 5.628 7.843 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.424 6.651 7.054 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.593 7.096 8.531 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.520 3.487 8.200 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.358 4.592 6.831 1.00 0.47 H new ATOM 373 N VAL A 45 9.058 7.653 5.348 1.00 0.27 N ATOM 374 CA VAL A 45 8.643 8.916 4.771 1.00 0.27 C ATOM 375 C VAL A 45 7.253 8.847 4.152 1.00 0.24 C ATOM 376 O VAL A 45 6.347 9.567 4.562 1.00 0.28 O ATOM 377 CB VAL A 45 9.639 9.376 3.697 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.166 10.656 3.043 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.028 9.540 4.290 1.00 0.30 C ATOM 0 H VAL A 45 9.564 7.041 4.708 1.00 0.27 H new ATOM 0 HA VAL A 45 8.617 9.632 5.592 1.00 0.27 H new ATOM 0 HB VAL A 45 9.694 8.608 2.925 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.886 10.965 2.285 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.196 10.489 2.575 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.075 11.438 3.797 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.719 9.866 3.513 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.998 10.285 5.085 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.364 8.587 4.698 1.00 0.30 H new ATOM 389 N VAL A 46 7.076 7.958 3.188 1.00 0.19 N ATOM 390 CA VAL A 46 5.869 7.965 2.375 1.00 0.19 C ATOM 391 C VAL A 46 4.689 7.354 3.119 1.00 0.19 C ATOM 392 O VAL A 46 3.722 8.052 3.436 1.00 0.19 O ATOM 393 CB VAL A 46 6.072 7.232 1.034 1.00 0.20 C ATOM 394 CG1 VAL A 46 4.803 7.292 0.194 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.241 7.830 0.269 1.00 0.22 C ATOM 0 H VAL A 46 7.747 7.227 2.950 1.00 0.19 H new ATOM 0 HA VAL A 46 5.648 9.011 2.164 1.00 0.19 H new ATOM 0 HB VAL A 46 6.297 6.187 1.247 1.00 0.20 H new ATOM 0 HG11 VAL A 46 4.966 6.769 -0.749 1.00 0.26 H new ATOM 0 HG12 VAL A 46 3.985 6.817 0.736 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.549 8.333 -0.007 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.368 7.299 -0.674 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.044 8.883 0.069 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.150 7.737 0.863 1.00 0.22 H new ATOM 405 N VAL A 47 4.772 6.063 3.419 1.00 0.20 N ATOM 406 CA VAL A 47 3.642 5.370 4.029 1.00 0.23 C ATOM 407 C VAL A 47 3.360 5.889 5.440 1.00 0.23 C ATOM 408 O VAL A 47 2.204 5.973 5.848 1.00 0.25 O ATOM 409 CB VAL A 47 3.820 3.827 4.032 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.222 3.431 4.440 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.795 3.146 4.929 1.00 0.83 C ATOM 0 H VAL A 47 5.594 5.483 3.254 1.00 0.20 H new ATOM 0 HA VAL A 47 2.775 5.590 3.406 1.00 0.23 H new ATOM 0 HB VAL A 47 3.654 3.488 3.010 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.310 2.345 4.431 1.00 0.70 H new ATOM 0 HG12 VAL A 47 5.939 3.859 3.740 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.428 3.803 5.443 1.00 0.70 H new ATOM 0 HG21 VAL A 47 2.951 2.067 4.906 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.909 3.507 5.951 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.791 3.375 4.573 1.00 0.83 H new ATOM 421 N LYS A 48 4.398 6.273 6.176 1.00 0.26 N ATOM 422 CA LYS A 48 4.197 6.822 7.512 1.00 0.30 C ATOM 423 C LYS A 48 3.393 8.128 7.467 1.00 0.28 C ATOM 424 O LYS A 48 2.591 8.391 8.361 1.00 0.33 O ATOM 425 CB LYS A 48 5.534 7.046 8.209 1.00 0.36 C ATOM 426 CG LYS A 48 5.863 5.989 9.255 1.00 0.53 C ATOM 427 CD LYS A 48 5.666 6.513 10.670 1.00 1.25 C ATOM 428 CE LYS A 48 6.935 7.158 11.202 1.00 1.79 C ATOM 429 NZ LYS A 48 7.636 6.292 12.186 1.00 2.40 N ATOM 0 H LYS A 48 5.371 6.216 5.877 1.00 0.26 H new ATOM 0 HA LYS A 48 3.622 6.094 8.084 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.326 7.062 7.460 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.526 8.026 8.686 1.00 0.36 H new ATOM 0 HG2 LYS A 48 5.230 5.115 9.100 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.895 5.662 9.129 1.00 0.53 H new ATOM 0 HD2 LYS A 48 4.854 7.240 10.681 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.370 5.694 11.325 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.605 7.376 10.371 1.00 1.79 H new ATOM 0 HE3 LYS A 48 6.687 8.110 11.671 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 8.495 6.773 12.521 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 7.007 6.104 12.993 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.897 5.393 11.733 1.00 2.40 H new ATOM 443 N THR A 49 3.599 8.939 6.431 1.00 0.23 N ATOM 444 CA THR A 49 2.839 10.179 6.287 1.00 0.24 C ATOM 445 C THR A 49 1.428 9.894 5.771 1.00 0.22 C ATOM 446 O THR A 49 0.459 10.507 6.221 1.00 0.24 O ATOM 447 CB THR A 49 3.546 11.188 5.353 1.00 0.28 C ATOM 448 OG1 THR A 49 4.911 11.347 5.755 1.00 0.55 O ATOM 449 CG2 THR A 49 2.850 12.543 5.389 1.00 0.52 C ATOM 0 H THR A 49 4.276 8.764 5.688 1.00 0.23 H new ATOM 0 HA THR A 49 2.775 10.628 7.278 1.00 0.24 H new ATOM 0 HB THR A 49 3.502 10.799 4.336 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.501 10.986 5.061 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.366 13.235 4.724 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.816 12.430 5.063 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.869 12.935 6.406 1.00 0.52 H new ATOM 457 N LEU A 50 1.318 8.948 4.839 1.00 0.20 N ATOM 458 CA LEU A 50 0.019 8.523 4.321 1.00 0.21 C ATOM 459 C LEU A 50 -0.829 7.960 5.458 1.00 0.20 C ATOM 460 O LEU A 50 -2.035 8.187 5.526 1.00 0.21 O ATOM 461 CB LEU A 50 0.204 7.457 3.229 1.00 0.24 C ATOM 462 CG LEU A 50 -0.646 7.628 1.957 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.154 6.279 1.473 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.819 8.571 2.192 1.00 0.29 C ATOM 0 H LEU A 50 2.114 8.461 4.427 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.487 9.385 3.886 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.255 7.443 2.939 1.00 0.24 H new ATOM 0 HB3 LEU A 50 -0.020 6.482 3.662 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.007 8.067 1.191 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.753 6.417 0.573 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.307 5.630 1.249 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.766 5.821 2.250 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.397 8.668 1.273 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.456 8.170 2.981 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.445 9.550 2.490 1.00 0.29 H new ATOM 476 N TRP A 51 -0.167 7.246 6.356 1.00 0.22 N ATOM 477 CA TRP A 51 -0.811 6.631 7.506 1.00 0.24 C ATOM 478 C TRP A 51 -1.401 7.678 8.447 1.00 0.26 C ATOM 479 O TRP A 51 -2.401 7.428 9.116 1.00 0.29 O ATOM 480 CB TRP A 51 0.210 5.776 8.262 1.00 0.27 C ATOM 481 CG TRP A 51 -0.409 4.758 9.164 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.876 4.967 10.424 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.619 3.373 8.876 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.369 3.799 10.942 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.226 2.802 10.010 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.352 2.561 7.771 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.576 1.454 10.067 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.699 1.226 7.826 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.304 0.682 8.968 1.00 0.39 C ATOM 0 H TRP A 51 0.838 7.076 6.307 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.629 6.008 7.144 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.850 5.268 7.541 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.852 6.430 8.853 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.860 5.915 10.941 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.777 3.688 11.870 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.118 2.971 6.889 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -2.044 1.034 10.945 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.501 0.590 6.976 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.561 -0.367 8.982 1.00 0.39 H new ATOM 500 N LYS A 52 -0.786 8.852 8.493 1.00 0.27 N ATOM 501 CA LYS A 52 -1.180 9.876 9.450 1.00 0.29 C ATOM 502 C LYS A 52 -2.369 10.694 8.961 1.00 0.30 C ATOM 503 O LYS A 52 -2.903 11.527 9.698 1.00 0.45 O ATOM 504 CB LYS A 52 -0.003 10.787 9.763 1.00 0.33 C ATOM 505 CG LYS A 52 1.046 10.120 10.632 1.00 0.48 C ATOM 506 CD LYS A 52 1.630 11.096 11.641 1.00 1.13 C ATOM 507 CE LYS A 52 2.796 10.487 12.400 1.00 1.74 C ATOM 508 NZ LYS A 52 2.416 10.098 13.783 1.00 2.24 N ATOM 0 H LYS A 52 -0.015 9.118 7.881 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.492 9.366 10.361 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.458 11.110 8.830 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.367 11.683 10.265 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.602 9.274 11.156 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.843 9.723 10.003 1.00 0.48 H new ATOM 0 HD2 LYS A 52 1.962 11.997 11.126 1.00 1.13 H new ATOM 0 HD3 LYS A 52 0.855 11.399 12.345 1.00 1.13 H new ATOM 0 HE2 LYS A 52 3.160 9.611 11.864 1.00 1.74 H new ATOM 0 HE3 LYS A 52 3.618 11.202 12.437 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 3.240 9.687 14.267 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 2.093 10.938 14.304 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 1.649 9.396 13.748 1.00 2.24 H new ATOM 522 N HIS A 53 -2.788 10.457 7.727 1.00 0.25 N ATOM 523 CA HIS A 53 -3.965 11.122 7.189 1.00 0.26 C ATOM 524 C HIS A 53 -5.217 10.509 7.795 1.00 0.31 C ATOM 525 O HIS A 53 -5.364 9.289 7.825 1.00 0.35 O ATOM 526 CB HIS A 53 -4.010 11.000 5.666 1.00 0.24 C ATOM 527 CG HIS A 53 -4.767 12.105 4.995 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.914 11.859 4.289 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.477 13.424 4.920 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.295 13.021 3.793 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.455 14.004 4.151 1.00 0.39 N ATOM 0 H HIS A 53 -2.333 9.812 7.082 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.915 12.180 7.446 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.990 10.985 5.281 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.465 10.046 5.400 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.637 13.925 5.378 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.171 13.163 3.178 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.529 14.990 3.901 1.00 0.39 H new ATOM 539 N GLN A 54 -6.119 11.352 8.269 1.00 0.42 N ATOM 540 CA GLN A 54 -7.307 10.878 8.964 1.00 0.54 C ATOM 541 C GLN A 54 -8.344 10.337 7.987 1.00 0.42 C ATOM 542 O GLN A 54 -9.311 9.694 8.392 1.00 0.47 O ATOM 543 CB GLN A 54 -7.908 11.994 9.815 1.00 0.79 C ATOM 544 CG GLN A 54 -7.124 12.264 11.091 1.00 1.09 C ATOM 545 CD GLN A 54 -6.630 10.992 11.756 1.00 1.24 C ATOM 546 OE1 GLN A 54 -7.363 10.344 12.502 1.00 1.91 O ATOM 547 NE2 GLN A 54 -5.384 10.624 11.492 1.00 1.21 N ATOM 0 H GLN A 54 -6.053 12.366 8.186 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.006 10.060 9.618 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.953 12.909 9.224 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.933 11.732 10.075 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.272 12.903 10.860 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.754 12.813 11.790 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -4.807 11.188 10.868 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -5.002 9.777 11.913 1.00 1.21 H new ATOM 556 N PHE A 55 -8.137 10.594 6.704 1.00 0.36 N ATOM 557 CA PHE A 55 -9.013 10.063 5.672 1.00 0.31 C ATOM 558 C PHE A 55 -8.466 8.740 5.149 1.00 0.27 C ATOM 559 O PHE A 55 -9.081 8.086 4.311 1.00 0.29 O ATOM 560 CB PHE A 55 -9.164 11.068 4.527 1.00 0.36 C ATOM 561 CG PHE A 55 -10.422 11.888 4.601 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.982 12.220 5.826 1.00 0.62 C ATOM 563 CD2 PHE A 55 -11.048 12.323 3.444 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.141 12.969 5.894 1.00 0.76 C ATOM 565 CE2 PHE A 55 -12.206 13.073 3.507 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.754 13.396 4.734 1.00 0.86 C ATOM 0 H PHE A 55 -7.370 11.167 6.353 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.997 9.888 6.107 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.304 11.738 4.528 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.147 10.530 3.579 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.506 11.889 6.737 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.626 12.073 2.482 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.567 13.220 6.854 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.683 13.407 2.598 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.660 13.981 4.785 1.00 0.86 H new ATOM 576 N ALA A 56 -7.308 8.343 5.662 1.00 0.25 N ATOM 577 CA ALA A 56 -6.681 7.089 5.262 1.00 0.25 C ATOM 578 C ALA A 56 -7.012 5.986 6.253 1.00 0.26 C ATOM 579 O ALA A 56 -6.402 4.915 6.240 1.00 0.28 O ATOM 580 CB ALA A 56 -5.176 7.261 5.151 1.00 0.28 C ATOM 0 H ALA A 56 -6.783 8.873 6.358 1.00 0.25 H new ATOM 0 HA ALA A 56 -7.073 6.806 4.285 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.723 6.316 4.852 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.951 8.024 4.405 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.773 7.567 6.116 1.00 0.28 H new ATOM 586 N TRP A 57 -8.003 6.246 7.095 1.00 0.30 N ATOM 587 CA TRP A 57 -8.360 5.328 8.171 1.00 0.34 C ATOM 588 C TRP A 57 -8.931 3.977 7.682 1.00 0.35 C ATOM 589 O TRP A 57 -8.691 2.958 8.332 1.00 0.40 O ATOM 590 CB TRP A 57 -9.311 6.002 9.178 1.00 0.37 C ATOM 591 CG TRP A 57 -10.698 6.256 8.672 1.00 0.38 C ATOM 592 CD1 TRP A 57 -11.124 7.334 7.955 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.844 5.417 8.859 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.465 7.223 7.691 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.930 6.052 8.232 1.00 0.46 C ATOM 596 CE3 TRP A 57 -12.057 4.189 9.496 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -14.209 5.502 8.222 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.325 3.643 9.482 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.387 4.301 8.850 1.00 0.58 C ATOM 0 H TRP A 57 -8.577 7.088 7.054 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.425 5.085 8.675 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.375 5.376 10.068 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.874 6.952 9.487 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.497 8.155 7.641 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -13.026 7.902 7.176 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.244 3.678 9.990 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -15.031 6.006 7.736 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.500 2.694 9.966 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.368 3.850 8.859 1.00 0.58 H new ATOM 610 N PRO A 58 -9.679 3.903 6.547 1.00 0.34 N ATOM 611 CA PRO A 58 -10.205 2.623 6.059 1.00 0.40 C ATOM 612 C PRO A 58 -9.110 1.728 5.481 1.00 0.36 C ATOM 613 O PRO A 58 -9.369 0.599 5.066 1.00 0.45 O ATOM 614 CB PRO A 58 -11.198 3.022 4.956 1.00 0.47 C ATOM 615 CG PRO A 58 -11.370 4.496 5.072 1.00 0.40 C ATOM 616 CD PRO A 58 -10.097 5.010 5.668 1.00 0.32 C ATOM 0 HA PRO A 58 -10.658 2.046 6.865 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.817 2.750 3.971 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.150 2.507 5.083 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.555 4.946 4.097 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.224 4.741 5.703 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.350 5.224 4.904 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.255 5.933 6.226 1.00 0.32 H new ATOM 624 N PHE A 59 -7.883 2.237 5.463 1.00 0.31 N ATOM 625 CA PHE A 59 -6.759 1.502 4.909 1.00 0.31 C ATOM 626 C PHE A 59 -5.790 1.089 6.013 1.00 0.31 C ATOM 627 O PHE A 59 -4.651 0.714 5.746 1.00 0.52 O ATOM 628 CB PHE A 59 -6.037 2.356 3.864 1.00 0.36 C ATOM 629 CG PHE A 59 -6.526 2.139 2.458 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.573 0.864 1.912 1.00 0.92 C ATOM 631 CD2 PHE A 59 -6.931 3.211 1.679 1.00 0.68 C ATOM 632 CE1 PHE A 59 -7.017 0.664 0.618 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.375 3.017 0.384 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.418 1.743 -0.146 1.00 0.95 C ATOM 0 H PHE A 59 -7.644 3.159 5.828 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.138 0.600 4.429 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.158 3.408 4.122 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -4.970 2.138 3.905 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -6.259 0.018 2.505 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -6.899 4.210 2.088 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -7.050 -0.334 0.205 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -7.688 3.861 -0.212 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.765 1.590 -1.157 1.00 0.95 H new ATOM 644 N TYR A 60 -6.258 1.158 7.258 1.00 0.35 N ATOM 645 CA TYR A 60 -5.442 0.777 8.409 1.00 0.39 C ATOM 646 C TYR A 60 -5.487 -0.733 8.626 1.00 0.45 C ATOM 647 O TYR A 60 -4.711 -1.282 9.410 1.00 0.63 O ATOM 648 CB TYR A 60 -5.930 1.479 9.679 1.00 0.46 C ATOM 649 CG TYR A 60 -5.671 2.972 9.729 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.805 3.561 8.819 1.00 0.32 C ATOM 651 CD2 TYR A 60 -6.285 3.791 10.672 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.553 4.918 8.845 1.00 0.31 C ATOM 653 CE2 TYR A 60 -6.037 5.151 10.705 1.00 0.56 C ATOM 654 CZ TYR A 60 -5.220 5.715 9.852 1.00 0.45 C ATOM 655 OH TYR A 60 -4.915 7.062 9.816 1.00 0.58 O ATOM 0 H TYR A 60 -7.198 1.474 7.495 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.417 1.083 8.201 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -7.002 1.308 9.781 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.450 1.014 10.540 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.319 2.946 8.076 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.966 3.357 11.389 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.878 5.372 8.135 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -6.527 5.760 11.450 1.00 0.56 H new ATOM 0 HH TYR A 60 -4.021 7.185 9.434 1.00 0.58 H new ATOM 665 N GLN A 61 -6.408 -1.395 7.942 1.00 0.46 N ATOM 666 CA GLN A 61 -6.588 -2.833 8.090 1.00 0.55 C ATOM 667 C GLN A 61 -6.630 -3.503 6.725 1.00 0.56 C ATOM 668 O GLN A 61 -7.301 -3.014 5.814 1.00 0.57 O ATOM 669 CB GLN A 61 -7.876 -3.150 8.861 1.00 0.65 C ATOM 670 CG GLN A 61 -8.553 -1.930 9.468 1.00 0.71 C ATOM 671 CD GLN A 61 -9.870 -1.597 8.797 1.00 1.09 C ATOM 672 OE1 GLN A 61 -10.861 -1.303 9.466 1.00 1.57 O ATOM 673 NE2 GLN A 61 -9.899 -1.639 7.474 1.00 1.63 N ATOM 0 H GLN A 61 -7.045 -0.958 7.276 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.741 -3.220 8.656 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.577 -3.644 8.188 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.645 -3.858 9.657 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.725 -2.106 10.530 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.884 -1.073 9.391 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.058 -1.887 6.953 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -10.763 -1.424 6.976 1.00 1.63 H new ATOM 682 N PRO A 62 -5.917 -4.629 6.572 1.00 0.63 N ATOM 683 CA PRO A 62 -5.831 -5.345 5.296 1.00 0.68 C ATOM 684 C PRO A 62 -7.130 -6.047 4.931 1.00 0.69 C ATOM 685 O PRO A 62 -7.869 -6.508 5.806 1.00 0.77 O ATOM 686 CB PRO A 62 -4.722 -6.370 5.542 1.00 0.78 C ATOM 687 CG PRO A 62 -4.714 -6.592 7.012 1.00 0.87 C ATOM 688 CD PRO A 62 -5.134 -5.290 7.633 1.00 0.73 C ATOM 0 HA PRO A 62 -5.633 -4.669 4.464 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.918 -7.298 5.005 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.758 -5.998 5.195 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -5.398 -7.394 7.289 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.722 -6.886 7.356 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.732 -5.450 8.530 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.272 -4.691 7.926 1.00 0.73 H new ATOM 696 N VAL A 63 -7.412 -6.129 3.635 1.00 0.66 N ATOM 697 CA VAL A 63 -8.588 -6.838 3.174 1.00 0.69 C ATOM 698 C VAL A 63 -8.415 -8.331 3.374 1.00 0.77 C ATOM 699 O VAL A 63 -7.633 -8.994 2.690 1.00 0.88 O ATOM 700 CB VAL A 63 -8.933 -6.544 1.694 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.702 -7.707 1.069 1.00 0.82 C ATOM 702 CG2 VAL A 63 -9.758 -5.275 1.592 1.00 0.75 C ATOM 0 H VAL A 63 -6.845 -5.715 2.895 1.00 0.66 H new ATOM 0 HA VAL A 63 -9.422 -6.476 3.775 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.998 -6.414 1.149 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.932 -7.474 0.029 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -9.094 -8.611 1.113 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.630 -7.867 1.619 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.995 -5.078 0.546 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -10.682 -5.396 2.157 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -9.190 -4.438 1.999 1.00 0.75 H new ATOM 712 N ASP A 64 -9.108 -8.837 4.361 1.00 0.79 N ATOM 713 CA ASP A 64 -9.281 -10.256 4.499 1.00 0.93 C ATOM 714 C ASP A 64 -10.754 -10.554 4.343 1.00 1.00 C ATOM 715 O ASP A 64 -11.594 -9.892 4.960 1.00 1.51 O ATOM 716 CB ASP A 64 -8.766 -10.762 5.843 1.00 1.02 C ATOM 717 CG ASP A 64 -8.667 -12.268 5.864 1.00 1.29 C ATOM 718 OD1 ASP A 64 -9.716 -12.927 5.973 1.00 1.85 O ATOM 719 OD2 ASP A 64 -7.538 -12.794 5.739 1.00 1.42 O ATOM 0 H ASP A 64 -9.564 -8.281 5.085 1.00 0.79 H new ATOM 0 HA ASP A 64 -8.701 -10.772 3.734 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -7.786 -10.329 6.045 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -9.432 -10.429 6.638 1.00 1.02 H new ATOM 724 N ALA A 65 -11.069 -11.526 3.508 1.00 0.94 N ATOM 725 CA ALA A 65 -12.450 -11.810 3.163 1.00 0.94 C ATOM 726 C ALA A 65 -13.246 -12.276 4.381 1.00 1.03 C ATOM 727 O ALA A 65 -14.475 -12.261 4.373 1.00 1.29 O ATOM 728 CB ALA A 65 -12.504 -12.838 2.048 1.00 0.96 C ATOM 0 H ALA A 65 -10.386 -12.134 3.055 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.913 -10.888 2.811 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -13.544 -13.046 1.795 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.987 -12.450 1.170 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -12.020 -13.758 2.377 1.00 0.96 H new ATOM 734 N ILE A 66 -12.535 -12.665 5.433 1.00 1.03 N ATOM 735 CA ILE A 66 -13.168 -13.089 6.673 1.00 1.14 C ATOM 736 C ILE A 66 -13.205 -11.941 7.679 1.00 1.13 C ATOM 737 O ILE A 66 -14.223 -11.700 8.331 1.00 1.19 O ATOM 738 CB ILE A 66 -12.427 -14.288 7.305 1.00 1.24 C ATOM 739 CG1 ILE A 66 -12.147 -15.357 6.248 1.00 1.35 C ATOM 740 CG2 ILE A 66 -13.231 -14.871 8.459 1.00 1.37 C ATOM 741 CD1 ILE A 66 -10.830 -16.074 6.450 1.00 1.89 C ATOM 0 H ILE A 66 -11.516 -12.695 5.450 1.00 1.03 H new ATOM 0 HA ILE A 66 -14.185 -13.394 6.426 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.475 -13.935 7.700 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -12.955 -16.088 6.259 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -12.151 -14.892 5.262 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -12.691 -15.714 8.889 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.379 -14.107 9.222 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -14.200 -15.210 8.093 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -10.697 -16.818 5.665 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -10.013 -15.353 6.409 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -10.830 -16.568 7.422 1.00 1.89 H new ATOM 753 N LYS A 67 -12.087 -11.233 7.787 1.00 1.10 N ATOM 754 CA LYS A 67 -11.946 -10.145 8.751 1.00 1.15 C ATOM 755 C LYS A 67 -12.877 -8.981 8.424 1.00 1.13 C ATOM 756 O LYS A 67 -13.586 -8.480 9.293 1.00 1.27 O ATOM 757 CB LYS A 67 -10.496 -9.654 8.785 1.00 1.21 C ATOM 758 CG LYS A 67 -10.230 -8.615 9.859 1.00 1.50 C ATOM 759 CD LYS A 67 -9.952 -9.257 11.210 1.00 1.90 C ATOM 760 CE LYS A 67 -9.862 -8.212 12.313 1.00 2.46 C ATOM 761 NZ LYS A 67 -9.124 -6.999 11.867 1.00 2.99 N ATOM 0 H LYS A 67 -11.258 -11.394 7.215 1.00 1.10 H new ATOM 0 HA LYS A 67 -12.222 -10.534 9.731 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -9.836 -10.507 8.945 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.241 -9.232 7.813 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -9.379 -8.000 9.567 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -11.090 -7.950 9.943 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -10.742 -9.970 11.445 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -9.019 -9.819 11.162 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -10.866 -7.930 12.630 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -9.363 -8.642 13.181 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -8.832 -6.445 12.698 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -8.282 -7.284 11.328 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -9.742 -6.419 11.264 1.00 2.99 H new ATOM 775 N LEU A 68 -12.877 -8.559 7.169 1.00 1.02 N ATOM 776 CA LEU A 68 -13.680 -7.416 6.760 1.00 1.03 C ATOM 777 C LEU A 68 -14.945 -7.874 6.050 1.00 1.05 C ATOM 778 O LEU A 68 -15.741 -7.051 5.598 1.00 1.10 O ATOM 779 CB LEU A 68 -12.868 -6.491 5.849 1.00 1.02 C ATOM 780 CG LEU A 68 -12.575 -5.097 6.414 1.00 1.07 C ATOM 781 CD1 LEU A 68 -13.860 -4.401 6.835 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.611 -5.185 7.586 1.00 1.66 C ATOM 0 H LEU A 68 -12.334 -8.987 6.420 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.967 -6.863 7.655 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.920 -6.977 5.619 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -13.404 -6.376 4.907 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.109 -4.505 5.626 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -13.626 -3.414 7.233 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -14.518 -4.298 5.972 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -14.359 -4.992 7.603 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.416 -4.185 7.973 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -12.050 -5.799 8.373 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -10.675 -5.635 7.254 1.00 1.66 H new ATOM 794 N ASN A 69 -15.116 -9.194 5.959 1.00 1.06 N ATOM 795 CA ASN A 69 -16.296 -9.796 5.336 1.00 1.12 C ATOM 796 C ASN A 69 -16.452 -9.341 3.886 1.00 1.09 C ATOM 797 O ASN A 69 -17.492 -8.811 3.491 1.00 1.15 O ATOM 798 CB ASN A 69 -17.558 -9.460 6.132 1.00 1.24 C ATOM 799 CG ASN A 69 -18.721 -10.384 5.813 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.541 -11.471 5.257 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.926 -9.960 6.164 1.00 1.55 N ATOM 0 H ASN A 69 -14.443 -9.874 6.314 1.00 1.06 H new ATOM 0 HA ASN A 69 -16.155 -10.877 5.340 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -17.336 -9.518 7.198 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.850 -8.431 5.923 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.745 -10.538 5.976 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -20.035 -9.055 6.622 1.00 1.55 H new ATOM 808 N LEU A 70 -15.404 -9.545 3.099 1.00 1.04 N ATOM 809 CA LEU A 70 -15.420 -9.170 1.693 1.00 1.01 C ATOM 810 C LEU A 70 -15.115 -10.369 0.796 1.00 0.99 C ATOM 811 O LEU A 70 -14.049 -10.436 0.188 1.00 0.95 O ATOM 812 CB LEU A 70 -14.412 -8.048 1.438 1.00 1.01 C ATOM 813 CG LEU A 70 -14.397 -6.959 2.499 1.00 1.13 C ATOM 814 CD1 LEU A 70 -13.152 -6.116 2.361 1.00 1.61 C ATOM 815 CD2 LEU A 70 -15.642 -6.101 2.397 1.00 1.54 C ATOM 0 H LEU A 70 -14.531 -9.969 3.412 1.00 1.04 H new ATOM 0 HA LEU A 70 -16.421 -8.815 1.448 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -13.415 -8.482 1.367 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -14.631 -7.593 0.472 1.00 1.01 H new ATOM 0 HG LEU A 70 -14.389 -7.428 3.483 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -13.152 -5.339 3.126 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -12.271 -6.746 2.483 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -13.133 -5.653 1.374 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -15.614 -5.327 3.164 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -15.683 -5.635 1.412 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -16.525 -6.723 2.541 1.00 1.54 H new ATOM 827 N PRO A 71 -16.048 -11.336 0.690 1.00 1.06 N ATOM 828 CA PRO A 71 -15.859 -12.513 -0.165 1.00 1.11 C ATOM 829 C PRO A 71 -15.983 -12.155 -1.641 1.00 1.05 C ATOM 830 O PRO A 71 -15.500 -12.874 -2.519 1.00 1.09 O ATOM 831 CB PRO A 71 -16.994 -13.445 0.262 1.00 1.28 C ATOM 832 CG PRO A 71 -18.057 -12.548 0.793 1.00 1.30 C ATOM 833 CD PRO A 71 -17.352 -11.359 1.388 1.00 1.18 C ATOM 0 HA PRO A 71 -14.870 -12.957 -0.054 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.359 -14.032 -0.580 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -16.659 -14.151 1.022 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.737 -12.239 -0.001 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.657 -13.060 1.545 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.911 -10.438 1.222 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.227 -11.466 2.466 1.00 1.18 H new ATOM 841 N ASP A 72 -16.620 -11.020 -1.898 1.00 1.04 N ATOM 842 CA ASP A 72 -16.830 -10.534 -3.256 1.00 1.07 C ATOM 843 C ASP A 72 -15.553 -9.913 -3.805 1.00 0.94 C ATOM 844 O ASP A 72 -15.406 -9.720 -5.011 1.00 0.95 O ATOM 845 CB ASP A 72 -17.950 -9.494 -3.272 1.00 1.24 C ATOM 846 CG ASP A 72 -19.168 -9.948 -4.049 1.00 1.49 C ATOM 847 OD1 ASP A 72 -19.352 -11.171 -4.229 1.00 1.93 O ATOM 848 OD2 ASP A 72 -19.964 -9.081 -4.468 1.00 1.97 O ATOM 0 H ASP A 72 -17.004 -10.412 -1.175 1.00 1.04 H new ATOM 0 HA ASP A 72 -17.110 -11.380 -3.884 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.243 -9.268 -2.247 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.573 -8.568 -3.707 1.00 1.24 H new ATOM 853 N TYR A 73 -14.633 -9.613 -2.900 1.00 0.87 N ATOM 854 CA TYR A 73 -13.386 -8.944 -3.244 1.00 0.79 C ATOM 855 C TYR A 73 -12.553 -9.769 -4.213 1.00 0.74 C ATOM 856 O TYR A 73 -11.954 -9.232 -5.144 1.00 0.73 O ATOM 857 CB TYR A 73 -12.576 -8.687 -1.974 1.00 0.78 C ATOM 858 CG TYR A 73 -11.925 -7.328 -1.926 1.00 0.73 C ATOM 859 CD1 TYR A 73 -10.652 -7.130 -2.443 1.00 0.80 C ATOM 860 CD2 TYR A 73 -12.578 -6.246 -1.355 1.00 0.88 C ATOM 861 CE1 TYR A 73 -10.053 -5.889 -2.396 1.00 0.90 C ATOM 862 CE2 TYR A 73 -11.984 -5.002 -1.305 1.00 0.97 C ATOM 863 CZ TYR A 73 -10.722 -4.831 -1.824 1.00 0.94 C ATOM 864 OH TYR A 73 -10.126 -3.595 -1.782 1.00 1.13 O ATOM 0 H TYR A 73 -14.729 -9.826 -1.907 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.636 -8.001 -3.731 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.231 -8.795 -1.110 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.804 -9.452 -1.887 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -10.123 -7.960 -2.888 1.00 0.80 H new ATOM 0 HD2 TYR A 73 -13.567 -6.379 -0.943 1.00 0.88 H new ATOM 0 HE1 TYR A 73 -9.064 -5.748 -2.806 1.00 0.90 H new ATOM 0 HE2 TYR A 73 -12.507 -4.168 -0.861 1.00 0.97 H new ATOM 0 HH TYR A 73 -9.987 -3.267 -2.695 1.00 1.13 H new ATOM 874 N HIS A 74 -12.559 -11.079 -4.017 1.00 0.79 N ATOM 875 CA HIS A 74 -11.638 -11.962 -4.720 1.00 0.80 C ATOM 876 C HIS A 74 -12.162 -12.320 -6.101 1.00 0.85 C ATOM 877 O HIS A 74 -11.514 -13.042 -6.857 1.00 0.91 O ATOM 878 CB HIS A 74 -11.394 -13.236 -3.908 1.00 0.89 C ATOM 879 CG HIS A 74 -10.786 -12.994 -2.560 1.00 0.79 C ATOM 880 ND1 HIS A 74 -10.035 -11.874 -2.299 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.847 -13.755 -1.439 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.661 -11.976 -1.037 1.00 0.78 C ATOM 883 NE2 HIS A 74 -10.128 -13.098 -0.475 1.00 0.82 N ATOM 0 H HIS A 74 -13.193 -11.556 -3.376 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.695 -11.429 -4.841 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -12.342 -13.759 -3.779 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -10.740 -13.897 -4.477 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -11.363 -14.697 -1.328 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -9.054 -11.246 -0.522 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -9.977 -13.405 0.486 1.00 0.82 H new ATOM 891 N LYS A 75 -13.335 -11.808 -6.431 1.00 0.89 N ATOM 892 CA LYS A 75 -13.935 -12.068 -7.724 1.00 0.97 C ATOM 893 C LYS A 75 -13.555 -10.968 -8.698 1.00 0.92 C ATOM 894 O LYS A 75 -13.583 -11.157 -9.915 1.00 1.11 O ATOM 895 CB LYS A 75 -15.454 -12.165 -7.595 1.00 1.09 C ATOM 896 CG LYS A 75 -15.907 -13.192 -6.570 1.00 1.20 C ATOM 897 CD LYS A 75 -17.243 -12.812 -5.960 1.00 1.68 C ATOM 898 CE LYS A 75 -18.395 -13.243 -6.847 1.00 2.05 C ATOM 899 NZ LYS A 75 -19.622 -12.442 -6.598 1.00 2.86 N ATOM 0 H LYS A 75 -13.890 -11.209 -5.819 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.562 -13.019 -8.103 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -15.851 -11.188 -7.320 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -15.878 -12.420 -8.566 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -15.987 -14.171 -7.044 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.157 -13.279 -5.783 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -17.343 -13.277 -4.979 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -17.282 -11.733 -5.807 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -18.104 -13.144 -7.893 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -18.610 -14.298 -6.675 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -20.457 -13.058 -6.660 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -19.574 -12.019 -5.649 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -19.694 -11.687 -7.310 1.00 2.86 H new ATOM 913 N ILE A 76 -13.177 -9.823 -8.147 1.00 0.78 N ATOM 914 CA ILE A 76 -12.819 -8.671 -8.952 1.00 0.77 C ATOM 915 C ILE A 76 -11.343 -8.324 -8.784 1.00 0.69 C ATOM 916 O ILE A 76 -10.622 -8.148 -9.767 1.00 0.78 O ATOM 917 CB ILE A 76 -13.684 -7.440 -8.595 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.166 -7.751 -8.804 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.278 -6.240 -9.435 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.041 -7.350 -7.635 1.00 1.00 C ATOM 0 H ILE A 76 -13.111 -9.670 -7.141 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.006 -8.937 -9.992 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.521 -7.200 -7.544 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.514 -7.237 -9.700 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.282 -8.820 -8.984 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.898 -5.384 -9.170 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.231 -6.002 -9.248 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.414 -6.473 -10.491 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.079 -7.601 -7.854 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.720 -7.884 -6.740 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.955 -6.276 -7.467 1.00 1.00 H new ATOM 932 N ILE A 77 -10.894 -8.237 -7.537 1.00 0.58 N ATOM 933 CA ILE A 77 -9.515 -7.873 -7.250 1.00 0.53 C ATOM 934 C ILE A 77 -8.689 -9.117 -6.942 1.00 0.64 C ATOM 935 O ILE A 77 -9.012 -9.885 -6.038 1.00 0.75 O ATOM 936 CB ILE A 77 -9.420 -6.883 -6.066 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.385 -5.703 -6.260 1.00 0.47 C ATOM 938 CG2 ILE A 77 -7.992 -6.378 -5.904 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.165 -4.932 -7.547 1.00 0.50 C ATOM 0 H ILE A 77 -11.465 -8.414 -6.711 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.118 -7.382 -8.138 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.707 -7.414 -5.158 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.409 -6.077 -6.243 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.282 -5.020 -5.417 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -7.945 -5.683 -5.066 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.327 -7.221 -5.714 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.680 -5.869 -6.816 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.885 -4.116 -7.610 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.154 -4.526 -7.559 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.298 -5.600 -8.398 1.00 0.50 H new ATOM 951 N LYS A 78 -7.623 -9.309 -7.704 1.00 0.74 N ATOM 952 CA LYS A 78 -6.775 -10.485 -7.556 1.00 0.90 C ATOM 953 C LYS A 78 -5.666 -10.231 -6.543 1.00 0.73 C ATOM 954 O LYS A 78 -4.939 -11.145 -6.151 1.00 0.72 O ATOM 955 CB LYS A 78 -6.172 -10.869 -8.909 1.00 1.16 C ATOM 956 CG LYS A 78 -7.211 -11.226 -9.958 1.00 1.45 C ATOM 957 CD LYS A 78 -7.348 -10.127 -10.998 1.00 1.67 C ATOM 958 CE LYS A 78 -8.575 -10.336 -11.869 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.212 -10.521 -13.299 1.00 1.99 N ATOM 0 H LYS A 78 -7.323 -8.663 -8.434 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.390 -11.308 -7.191 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.567 -10.040 -9.276 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.501 -11.717 -8.771 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.931 -12.159 -10.447 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.174 -11.395 -9.476 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -7.414 -9.160 -10.500 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.456 -10.103 -11.624 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -9.126 -11.209 -11.518 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -9.241 -9.478 -11.771 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -9.076 -10.661 -13.861 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.709 -9.678 -13.641 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -7.597 -11.354 -13.396 1.00 1.99 H new ATOM 973 N ASN A 79 -5.537 -8.980 -6.128 1.00 0.67 N ATOM 974 CA ASN A 79 -4.513 -8.587 -5.171 1.00 0.56 C ATOM 975 C ASN A 79 -5.100 -7.682 -4.093 1.00 0.54 C ATOM 976 O ASN A 79 -4.966 -6.460 -4.153 1.00 0.52 O ATOM 977 CB ASN A 79 -3.349 -7.878 -5.879 1.00 0.60 C ATOM 978 CG ASN A 79 -3.730 -7.313 -7.240 1.00 1.09 C ATOM 979 OD1 ASN A 79 -4.705 -6.571 -7.371 1.00 2.05 O ATOM 980 ND2 ASN A 79 -2.964 -7.661 -8.261 1.00 1.28 N ATOM 0 H ASN A 79 -6.133 -8.214 -6.442 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.132 -9.492 -4.697 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.986 -7.069 -5.246 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.525 -8.581 -6.002 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -3.172 -7.313 -9.197 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -2.165 -8.278 -8.112 1.00 1.28 H new ATOM 987 N PRO A 80 -5.767 -8.273 -3.091 1.00 0.58 N ATOM 988 CA PRO A 80 -6.371 -7.514 -1.992 1.00 0.60 C ATOM 989 C PRO A 80 -5.320 -6.919 -1.054 1.00 0.55 C ATOM 990 O PRO A 80 -4.846 -7.581 -0.129 1.00 0.64 O ATOM 991 CB PRO A 80 -7.211 -8.560 -1.261 1.00 0.70 C ATOM 992 CG PRO A 80 -6.580 -9.868 -1.580 1.00 0.89 C ATOM 993 CD PRO A 80 -5.988 -9.725 -2.954 1.00 0.67 C ATOM 0 HA PRO A 80 -6.947 -6.661 -2.351 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -7.216 -8.378 -0.186 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -8.249 -8.533 -1.594 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.811 -10.118 -0.849 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -7.316 -10.672 -1.555 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -5.056 -10.282 -3.048 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.664 -10.101 -3.722 1.00 0.67 H new ATOM 1001 N MET A 81 -4.956 -5.669 -1.302 1.00 0.46 N ATOM 1002 CA MET A 81 -3.916 -5.002 -0.525 1.00 0.43 C ATOM 1003 C MET A 81 -4.402 -3.668 -0.002 1.00 0.43 C ATOM 1004 O MET A 81 -5.357 -3.088 -0.523 1.00 0.55 O ATOM 1005 CB MET A 81 -2.658 -4.804 -1.373 1.00 0.44 C ATOM 1006 CG MET A 81 -2.351 -5.979 -2.286 1.00 0.74 C ATOM 1007 SD MET A 81 -0.858 -6.864 -1.803 1.00 0.82 S ATOM 1008 CE MET A 81 -1.568 -8.276 -0.957 1.00 0.70 C ATOM 0 H MET A 81 -5.366 -5.093 -2.037 1.00 0.46 H new ATOM 0 HA MET A 81 -3.673 -5.638 0.326 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.775 -3.905 -1.978 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.807 -4.635 -0.713 1.00 0.44 H new ATOM 0 HG2 MET A 81 -3.195 -6.669 -2.280 1.00 0.74 H new ATOM 0 HG3 MET A 81 -2.240 -5.620 -3.309 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.777 -8.838 -0.460 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.289 -7.931 -0.216 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.070 -8.919 -1.680 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.724 -3.193 1.024 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.111 -1.980 1.723 1.00 0.36 C ATOM 1020 C ASP A 82 -2.877 -1.119 1.984 1.00 0.35 C ATOM 1021 O ASP A 82 -2.120 -0.825 1.066 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.822 -2.344 3.039 1.00 0.38 C ATOM 1023 CG ASP A 82 -3.919 -3.072 4.020 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -3.259 -4.052 3.625 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.833 -2.633 5.181 1.00 1.32 O ATOM 0 H ASP A 82 -2.886 -3.638 1.399 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.804 -1.406 1.107 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.198 -1.434 3.506 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.687 -2.969 2.817 1.00 0.38 H new ATOM 1030 N MET A 83 -2.659 -0.736 3.229 1.00 0.27 N ATOM 1031 CA MET A 83 -1.485 0.030 3.592 1.00 0.26 C ATOM 1032 C MET A 83 -0.709 -0.713 4.666 1.00 0.25 C ATOM 1033 O MET A 83 0.483 -0.473 4.868 1.00 0.26 O ATOM 1034 CB MET A 83 -1.873 1.425 4.082 1.00 0.31 C ATOM 1035 CG MET A 83 -1.044 2.533 3.458 1.00 0.43 C ATOM 1036 SD MET A 83 -0.801 3.933 4.570 1.00 0.80 S ATOM 1037 CE MET A 83 -2.491 4.486 4.800 1.00 0.38 C ATOM 0 H MET A 83 -3.284 -0.945 4.008 1.00 0.27 H new ATOM 0 HA MET A 83 -0.856 0.150 2.710 1.00 0.26 H new ATOM 0 HB2 MET A 83 -2.926 1.600 3.861 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.764 1.465 5.166 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.073 2.134 3.166 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.534 2.878 2.547 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.498 5.555 5.014 1.00 0.38 H new ATOM 0 HE2 MET A 83 -3.063 4.293 3.893 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.940 3.946 5.634 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.381 -1.654 5.319 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.749 -2.434 6.352 1.00 0.29 C ATOM 1049 C GLY A 84 0.035 -3.558 5.734 1.00 0.26 C ATOM 1050 O GLY A 84 1.109 -3.924 6.205 1.00 0.32 O ATOM 0 H GLY A 84 -2.359 -1.887 5.146 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.089 -1.801 6.946 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.502 -2.834 7.031 1.00 0.29 H new ATOM 1054 N THR A 85 -0.505 -4.094 4.652 1.00 0.24 N ATOM 1055 CA THR A 85 0.185 -5.109 3.886 1.00 0.25 C ATOM 1056 C THR A 85 1.348 -4.499 3.111 1.00 0.26 C ATOM 1057 O THR A 85 2.380 -5.142 2.902 1.00 0.32 O ATOM 1058 CB THR A 85 -0.778 -5.822 2.918 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.933 -6.277 3.633 1.00 0.95 O ATOM 1060 CG2 THR A 85 -0.105 -6.998 2.231 1.00 0.84 C ATOM 0 H THR A 85 -1.423 -3.840 4.286 1.00 0.24 H new ATOM 0 HA THR A 85 0.577 -5.846 4.587 1.00 0.25 H new ATOM 0 HB THR A 85 -1.076 -5.107 2.151 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.684 -5.671 3.462 1.00 0.95 H new ATOM 0 HG21 THR A 85 -0.813 -7.478 1.555 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.756 -6.644 1.663 1.00 0.84 H new ATOM 0 HG23 THR A 85 0.226 -7.717 2.981 1.00 0.84 H new ATOM 1068 N ILE A 86 1.182 -3.244 2.712 1.00 0.27 N ATOM 1069 CA ILE A 86 2.232 -2.518 2.010 1.00 0.31 C ATOM 1070 C ILE A 86 3.426 -2.340 2.942 1.00 0.29 C ATOM 1071 O ILE A 86 4.551 -2.723 2.616 1.00 0.32 O ATOM 1072 CB ILE A 86 1.742 -1.123 1.526 1.00 0.36 C ATOM 1073 CG1 ILE A 86 0.844 -1.208 0.276 1.00 0.55 C ATOM 1074 CG2 ILE A 86 2.922 -0.215 1.233 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.416 -2.604 -0.123 1.00 0.97 C ATOM 0 H ILE A 86 0.328 -2.707 2.863 1.00 0.27 H new ATOM 0 HA ILE A 86 2.516 -3.097 1.131 1.00 0.31 H new ATOM 0 HB ILE A 86 1.144 -0.709 2.338 1.00 0.36 H new ATOM 0 HG12 ILE A 86 -0.049 -0.608 0.450 1.00 0.55 H new ATOM 0 HG13 ILE A 86 1.374 -0.755 -0.562 1.00 0.55 H new ATOM 0 HG21 ILE A 86 2.559 0.756 0.896 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.516 -0.086 2.138 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.540 -0.662 0.454 1.00 0.36 H new ATOM 0 HD11 ILE A 86 -0.212 -2.552 -1.013 1.00 0.97 H new ATOM 0 HD12 ILE A 86 1.298 -3.208 -0.336 1.00 0.97 H new ATOM 0 HD13 ILE A 86 -0.147 -3.059 0.692 1.00 0.97 H new ATOM 1087 N LYS A 87 3.163 -1.790 4.125 1.00 0.29 N ATOM 1088 CA LYS A 87 4.210 -1.577 5.111 1.00 0.34 C ATOM 1089 C LYS A 87 4.771 -2.912 5.602 1.00 0.34 C ATOM 1090 O LYS A 87 5.923 -2.986 6.021 1.00 0.38 O ATOM 1091 CB LYS A 87 3.688 -0.748 6.290 1.00 0.41 C ATOM 1092 CG LYS A 87 2.817 -1.531 7.258 1.00 0.49 C ATOM 1093 CD LYS A 87 2.785 -0.890 8.633 1.00 0.69 C ATOM 1094 CE LYS A 87 2.608 -1.932 9.726 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.805 -2.027 10.600 1.00 1.15 N ATOM 0 H LYS A 87 2.235 -1.486 4.420 1.00 0.29 H new ATOM 0 HA LYS A 87 5.016 -1.021 4.632 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.537 -0.334 6.834 1.00 0.41 H new ATOM 0 HB3 LYS A 87 3.116 0.095 5.903 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.803 -1.596 6.864 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.192 -2.551 7.341 1.00 0.49 H new ATOM 0 HD2 LYS A 87 3.710 -0.338 8.801 1.00 0.69 H new ATOM 0 HD3 LYS A 87 1.970 -0.168 8.681 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.737 -1.680 10.330 1.00 1.08 H new ATOM 0 HE3 LYS A 87 2.411 -2.904 9.273 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.732 -2.875 11.197 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 4.660 -2.090 10.012 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.862 -1.182 11.204 1.00 1.15 H new ATOM 1109 N LYS A 88 3.955 -3.966 5.532 1.00 0.35 N ATOM 1110 CA LYS A 88 4.386 -5.291 5.953 1.00 0.39 C ATOM 1111 C LYS A 88 5.519 -5.789 5.070 1.00 0.41 C ATOM 1112 O LYS A 88 6.538 -6.265 5.563 1.00 0.46 O ATOM 1113 CB LYS A 88 3.212 -6.274 5.909 1.00 0.42 C ATOM 1114 CG LYS A 88 3.416 -7.508 6.770 1.00 0.73 C ATOM 1115 CD LYS A 88 3.408 -7.169 8.252 1.00 1.26 C ATOM 1116 CE LYS A 88 4.345 -8.074 9.031 1.00 1.68 C ATOM 1117 NZ LYS A 88 5.459 -7.316 9.659 1.00 2.46 N ATOM 0 H LYS A 88 2.996 -3.923 5.188 1.00 0.35 H new ATOM 0 HA LYS A 88 4.748 -5.224 6.979 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.307 -5.760 6.234 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.048 -6.585 4.877 1.00 0.42 H new ATOM 0 HG2 LYS A 88 2.630 -8.233 6.559 1.00 0.73 H new ATOM 0 HG3 LYS A 88 4.363 -7.980 6.510 1.00 0.73 H new ATOM 0 HD2 LYS A 88 3.705 -6.129 8.391 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.396 -7.267 8.644 1.00 1.26 H new ATOM 0 HE2 LYS A 88 3.783 -8.599 9.804 1.00 1.68 H new ATOM 0 HE3 LYS A 88 4.754 -8.833 8.364 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 6.366 -7.646 9.270 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 5.345 -6.302 9.459 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 5.447 -7.470 10.688 1.00 2.46 H new ATOM 1131 N ARG A 89 5.345 -5.656 3.764 1.00 0.40 N ATOM 1132 CA ARG A 89 6.367 -6.068 2.815 1.00 0.44 C ATOM 1133 C ARG A 89 7.593 -5.171 2.924 1.00 0.43 C ATOM 1134 O ARG A 89 8.720 -5.615 2.703 1.00 0.48 O ATOM 1135 CB ARG A 89 5.810 -6.033 1.395 1.00 0.47 C ATOM 1136 CG ARG A 89 5.256 -7.371 0.938 1.00 0.68 C ATOM 1137 CD ARG A 89 4.177 -7.202 -0.114 1.00 0.64 C ATOM 1138 NE ARG A 89 4.695 -6.597 -1.340 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.279 -6.927 -2.566 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.480 -7.974 -2.744 1.00 1.16 N ATOM 1141 NH2 ARG A 89 4.681 -6.229 -3.623 1.00 1.03 N ATOM 0 H ARG A 89 4.505 -5.266 3.337 1.00 0.40 H new ATOM 0 HA ARG A 89 6.667 -7.089 3.051 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.022 -5.282 1.339 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.598 -5.720 0.710 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.064 -7.981 0.535 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.848 -7.908 1.795 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.742 -8.174 -0.346 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.375 -6.581 0.286 1.00 0.64 H new ATOM 0 HE ARG A 89 5.416 -5.881 -1.254 1.00 0.59 H new ATOM 0 HH11 ARG A 89 3.182 -8.530 -1.943 1.00 1.16 H new ATOM 0 HH12 ARG A 89 3.165 -8.222 -3.682 1.00 1.16 H new ATOM 0 HH21 ARG A 89 5.311 -5.436 -3.501 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.360 -6.486 -4.556 1.00 1.03 H new ATOM 1155 N LEU A 90 7.365 -3.914 3.272 1.00 0.40 N ATOM 1156 CA LEU A 90 8.450 -2.958 3.445 1.00 0.41 C ATOM 1157 C LEU A 90 9.303 -3.303 4.665 1.00 0.44 C ATOM 1158 O LEU A 90 10.526 -3.423 4.568 1.00 0.49 O ATOM 1159 CB LEU A 90 7.883 -1.545 3.591 1.00 0.39 C ATOM 1160 CG LEU A 90 7.772 -0.753 2.290 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.841 0.439 2.463 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.147 -0.297 1.823 1.00 0.45 C ATOM 0 H LEU A 90 6.435 -3.530 3.441 1.00 0.40 H new ATOM 0 HA LEU A 90 9.086 -3.005 2.561 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.893 -1.612 4.043 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.512 -0.988 4.285 1.00 0.39 H new ATOM 0 HG LEU A 90 7.350 -1.407 1.527 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.776 0.989 1.524 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.849 0.088 2.747 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.230 1.095 3.242 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.048 0.266 0.895 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.598 0.338 2.586 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.781 -1.167 1.654 1.00 0.45 H new ATOM 1174 N GLU A 91 8.653 -3.479 5.807 1.00 0.45 N ATOM 1175 CA GLU A 91 9.359 -3.720 7.063 1.00 0.50 C ATOM 1176 C GLU A 91 9.896 -5.149 7.148 1.00 0.54 C ATOM 1177 O GLU A 91 10.786 -5.436 7.949 1.00 0.64 O ATOM 1178 CB GLU A 91 8.444 -3.427 8.256 1.00 0.53 C ATOM 1179 CG GLU A 91 7.323 -4.438 8.443 1.00 0.76 C ATOM 1180 CD GLU A 91 6.145 -3.872 9.209 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.100 -2.639 9.410 1.00 1.23 O ATOM 1182 OE2 GLU A 91 5.252 -4.653 9.609 1.00 1.39 O ATOM 0 H GLU A 91 7.637 -3.460 5.892 1.00 0.45 H new ATOM 0 HA GLU A 91 10.213 -3.043 7.093 1.00 0.50 H new ATOM 0 HB2 GLU A 91 9.047 -3.397 9.164 1.00 0.53 H new ATOM 0 HB3 GLU A 91 8.008 -2.436 8.131 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.984 -4.783 7.466 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.710 -5.309 8.972 1.00 0.76 H new ATOM 1189 N ASN A 92 9.356 -6.041 6.333 1.00 0.51 N ATOM 1190 CA ASN A 92 9.826 -7.424 6.306 1.00 0.57 C ATOM 1191 C ASN A 92 10.856 -7.613 5.202 1.00 0.60 C ATOM 1192 O ASN A 92 11.380 -8.711 5.011 1.00 0.68 O ATOM 1193 CB ASN A 92 8.659 -8.391 6.100 1.00 0.60 C ATOM 1194 CG ASN A 92 7.984 -8.783 7.402 1.00 0.69 C ATOM 1195 OD1 ASN A 92 7.815 -7.959 8.306 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.577 -10.037 7.505 1.00 1.30 N ATOM 0 H ASN A 92 8.596 -5.838 5.684 1.00 0.51 H new ATOM 0 HA ASN A 92 10.292 -7.641 7.267 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.924 -7.931 5.439 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.021 -9.289 5.599 1.00 0.60 H new ATOM 0 HD21 ASN A 92 7.106 -10.352 8.353 1.00 1.30 H new ATOM 0 HD22 ASN A 92 7.735 -10.689 6.737 1.00 1.30 H new ATOM 1203 N ASN A 93 11.137 -6.526 4.484 1.00 0.58 N ATOM 1204 CA ASN A 93 12.096 -6.530 3.380 1.00 0.62 C ATOM 1205 C ASN A 93 11.714 -7.572 2.329 1.00 0.66 C ATOM 1206 O ASN A 93 12.396 -8.582 2.149 1.00 0.77 O ATOM 1207 CB ASN A 93 13.525 -6.766 3.895 1.00 0.70 C ATOM 1208 CG ASN A 93 14.579 -6.602 2.814 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.438 -7.463 2.637 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.535 -5.489 2.099 1.00 1.22 N ATOM 0 H ASN A 93 10.706 -5.617 4.652 1.00 0.58 H new ATOM 0 HA ASN A 93 12.068 -5.549 2.906 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.733 -6.069 4.706 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.594 -7.770 4.313 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.230 -5.323 1.371 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.806 -4.798 2.276 1.00 1.22 H new ATOM 1217 N TYR A 94 10.586 -7.335 1.668 1.00 0.61 N ATOM 1218 CA TYR A 94 10.148 -8.185 0.575 1.00 0.67 C ATOM 1219 C TYR A 94 11.033 -7.997 -0.637 1.00 0.70 C ATOM 1220 O TYR A 94 11.619 -8.943 -1.165 1.00 0.79 O ATOM 1221 CB TYR A 94 8.719 -7.852 0.174 1.00 0.71 C ATOM 1222 CG TYR A 94 8.181 -8.786 -0.886 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.468 -10.139 -0.858 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.358 -8.312 -1.897 1.00 0.74 C ATOM 1225 CE1 TYR A 94 7.953 -11.000 -1.810 1.00 0.83 C ATOM 1226 CE2 TYR A 94 6.832 -9.161 -2.847 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.249 -10.498 -2.866 1.00 0.85 C ATOM 1228 OH TYR A 94 6.604 -11.354 -3.743 1.00 0.96 O ATOM 0 H TYR A 94 9.959 -6.557 1.874 1.00 0.61 H new ATOM 0 HA TYR A 94 10.207 -9.217 0.922 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.078 -7.899 1.054 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.678 -6.827 -0.195 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.106 -10.530 -0.079 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.125 -7.258 -1.941 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.107 -12.065 -1.718 1.00 0.83 H new ATOM 0 HE2 TYR A 94 6.110 -8.801 -3.565 1.00 0.81 H new ATOM 0 HH TYR A 94 7.046 -12.228 -3.731 1.00 0.96 H new ATOM 1238 N TYR A 95 11.087 -6.763 -1.079 1.00 0.77 N ATOM 1239 CA TYR A 95 11.779 -6.414 -2.306 1.00 0.88 C ATOM 1240 C TYR A 95 13.120 -5.754 -2.037 1.00 0.75 C ATOM 1241 O TYR A 95 13.528 -5.569 -0.890 1.00 1.04 O ATOM 1242 CB TYR A 95 10.916 -5.478 -3.154 1.00 1.17 C ATOM 1243 CG TYR A 95 9.768 -4.847 -2.394 1.00 0.95 C ATOM 1244 CD1 TYR A 95 9.995 -3.882 -1.418 1.00 1.05 C ATOM 1245 CD2 TYR A 95 8.458 -5.224 -2.648 1.00 0.92 C ATOM 1246 CE1 TYR A 95 8.949 -3.317 -0.718 1.00 1.09 C ATOM 1247 CE2 TYR A 95 7.409 -4.667 -1.949 1.00 0.96 C ATOM 1248 CZ TYR A 95 7.656 -3.714 -0.987 1.00 1.04 C ATOM 1249 OH TYR A 95 6.609 -3.171 -0.280 1.00 1.28 O ATOM 0 H TYR A 95 10.655 -5.971 -0.603 1.00 0.77 H new ATOM 0 HA TYR A 95 11.961 -7.343 -2.846 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.547 -4.688 -3.562 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.516 -6.036 -4.001 1.00 1.17 H new ATOM 0 HD1 TYR A 95 11.007 -3.570 -1.205 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.256 -5.966 -3.406 1.00 0.92 H new ATOM 0 HE1 TYR A 95 9.142 -2.568 0.036 1.00 1.09 H new ATOM 0 HE2 TYR A 95 6.395 -4.978 -2.156 1.00 0.96 H new ATOM 0 HH TYR A 95 6.519 -2.222 -0.506 1.00 1.28 H new ATOM 1259 N TRP A 96 13.770 -5.377 -3.121 1.00 0.72 N ATOM 1260 CA TRP A 96 15.091 -4.782 -3.086 1.00 0.65 C ATOM 1261 C TRP A 96 15.005 -3.301 -2.725 1.00 0.61 C ATOM 1262 O TRP A 96 15.773 -2.796 -1.905 1.00 0.64 O ATOM 1263 CB TRP A 96 15.729 -4.958 -4.467 1.00 0.68 C ATOM 1264 CG TRP A 96 17.194 -4.655 -4.536 1.00 0.72 C ATOM 1265 CD1 TRP A 96 17.817 -3.495 -4.186 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.217 -5.527 -5.024 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.165 -3.604 -4.412 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.434 -4.836 -4.931 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.224 -6.829 -5.523 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 20.645 -5.395 -5.326 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.428 -7.385 -5.917 1.00 1.03 C ATOM 1272 CH2 TRP A 96 20.622 -6.669 -5.816 1.00 1.05 C ATOM 0 H TRP A 96 13.390 -5.477 -4.062 1.00 0.72 H new ATOM 0 HA TRP A 96 15.699 -5.272 -2.326 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.571 -5.986 -4.794 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.207 -4.314 -5.175 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.323 -2.620 -3.790 1.00 0.70 H new ATOM 0 HE1 TRP A 96 19.857 -2.879 -4.222 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.306 -7.393 -5.601 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 21.569 -4.842 -5.248 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.444 -8.391 -6.310 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.545 -7.132 -6.132 1.00 1.05 H new ATOM 1283 N SER A 97 14.064 -2.607 -3.344 1.00 0.60 N ATOM 1284 CA SER A 97 13.970 -1.170 -3.190 1.00 0.56 C ATOM 1285 C SER A 97 12.514 -0.708 -3.245 1.00 0.54 C ATOM 1286 O SER A 97 11.606 -1.507 -3.489 1.00 0.55 O ATOM 1287 CB SER A 97 14.803 -0.501 -4.285 1.00 0.58 C ATOM 1288 OG SER A 97 14.948 0.892 -4.062 1.00 1.00 O ATOM 0 H SER A 97 13.358 -3.017 -3.955 1.00 0.60 H new ATOM 0 HA SER A 97 14.360 -0.883 -2.214 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.788 -0.966 -4.327 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.330 -0.666 -5.253 1.00 0.58 H new ATOM 0 HG SER A 97 14.984 1.359 -4.923 1.00 1.00 H new ATOM 1294 N ALA A 98 12.298 0.585 -3.019 1.00 0.54 N ATOM 1295 CA ALA A 98 10.953 1.146 -2.977 1.00 0.56 C ATOM 1296 C ALA A 98 10.360 1.250 -4.373 1.00 0.52 C ATOM 1297 O ALA A 98 9.156 1.444 -4.530 1.00 0.53 O ATOM 1298 CB ALA A 98 10.959 2.506 -2.303 1.00 0.66 C ATOM 0 H ALA A 98 13.041 1.266 -2.862 1.00 0.54 H new ATOM 0 HA ALA A 98 10.329 0.471 -2.391 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.945 2.906 -2.282 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.330 2.405 -1.283 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.606 3.185 -2.859 1.00 0.66 H new ATOM 1304 N SER A 99 11.212 1.120 -5.382 1.00 0.52 N ATOM 1305 CA SER A 99 10.766 1.080 -6.764 1.00 0.54 C ATOM 1306 C SER A 99 9.803 -0.088 -6.965 1.00 0.48 C ATOM 1307 O SER A 99 8.882 -0.029 -7.780 1.00 0.50 O ATOM 1308 CB SER A 99 11.980 0.933 -7.680 1.00 0.62 C ATOM 1309 OG SER A 99 13.081 0.386 -6.964 1.00 0.85 O ATOM 0 H SER A 99 12.222 1.040 -5.265 1.00 0.52 H new ATOM 0 HA SER A 99 10.243 2.005 -7.008 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.731 0.289 -8.523 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.253 1.905 -8.091 1.00 0.62 H new ATOM 0 HG SER A 99 13.879 0.933 -7.123 1.00 0.85 H new ATOM 1315 N GLU A 100 10.024 -1.146 -6.195 1.00 0.46 N ATOM 1316 CA GLU A 100 9.160 -2.312 -6.219 1.00 0.48 C ATOM 1317 C GLU A 100 7.884 -2.037 -5.439 1.00 0.44 C ATOM 1318 O GLU A 100 6.796 -2.426 -5.854 1.00 0.52 O ATOM 1319 CB GLU A 100 9.887 -3.504 -5.612 1.00 0.56 C ATOM 1320 CG GLU A 100 10.285 -4.559 -6.626 1.00 1.03 C ATOM 1321 CD GLU A 100 11.765 -4.527 -6.937 1.00 1.83 C ATOM 1322 OE1 GLU A 100 12.490 -3.707 -6.334 1.00 2.44 O ATOM 1323 OE2 GLU A 100 12.207 -5.317 -7.795 1.00 2.37 O ATOM 0 H GLU A 100 10.803 -1.217 -5.541 1.00 0.46 H new ATOM 0 HA GLU A 100 8.900 -2.536 -7.253 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.782 -3.150 -5.100 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.248 -3.962 -4.857 1.00 0.56 H new ATOM 0 HG2 GLU A 100 10.017 -5.545 -6.246 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.719 -4.408 -7.545 1.00 1.03 H new ATOM 1330 N CYS A 101 8.035 -1.335 -4.319 1.00 0.41 N ATOM 1331 CA CYS A 101 6.907 -0.983 -3.460 1.00 0.44 C ATOM 1332 C CYS A 101 5.927 -0.085 -4.204 1.00 0.38 C ATOM 1333 O CYS A 101 4.749 -0.007 -3.861 1.00 0.38 O ATOM 1334 CB CYS A 101 7.400 -0.283 -2.193 1.00 0.57 C ATOM 1335 SG CYS A 101 6.124 -0.052 -0.937 1.00 0.95 S ATOM 0 H CYS A 101 8.936 -0.996 -3.983 1.00 0.41 H new ATOM 0 HA CYS A 101 6.393 -1.902 -3.178 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.217 -0.864 -1.764 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.809 0.690 -2.464 1.00 0.57 H new ATOM 0 HG CYS A 101 5.204 -0.959 -1.081 1.00 0.95 H new ATOM 1341 N MET A 102 6.425 0.588 -5.235 1.00 0.39 N ATOM 1342 CA MET A 102 5.586 1.416 -6.090 1.00 0.44 C ATOM 1343 C MET A 102 4.481 0.582 -6.729 1.00 0.36 C ATOM 1344 O MET A 102 3.462 1.117 -7.161 1.00 0.39 O ATOM 1345 CB MET A 102 6.427 2.078 -7.180 1.00 0.58 C ATOM 1346 CG MET A 102 6.931 3.462 -6.809 1.00 0.75 C ATOM 1347 SD MET A 102 8.531 3.834 -7.555 1.00 1.02 S ATOM 1348 CE MET A 102 8.904 5.408 -6.783 1.00 1.13 C ATOM 0 H MET A 102 7.410 0.575 -5.499 1.00 0.39 H new ATOM 0 HA MET A 102 5.130 2.189 -5.472 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.281 1.439 -7.406 1.00 0.58 H new ATOM 0 HB3 MET A 102 5.833 2.150 -8.091 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.203 4.208 -7.127 1.00 0.75 H new ATOM 0 HG3 MET A 102 7.012 3.538 -5.725 1.00 0.75 H new ATOM 0 HE1 MET A 102 9.136 6.145 -7.552 1.00 1.13 H new ATOM 0 HE2 MET A 102 8.042 5.744 -6.207 1.00 1.13 H new ATOM 0 HE3 MET A 102 9.761 5.294 -6.120 1.00 1.13 H new ATOM 1358 N GLN A 103 4.690 -0.730 -6.788 1.00 0.34 N ATOM 1359 CA GLN A 103 3.689 -1.633 -7.325 1.00 0.36 C ATOM 1360 C GLN A 103 2.573 -1.843 -6.317 1.00 0.30 C ATOM 1361 O GLN A 103 1.405 -1.591 -6.615 1.00 0.31 O ATOM 1362 CB GLN A 103 4.312 -2.980 -7.707 1.00 0.43 C ATOM 1363 CG GLN A 103 3.333 -3.939 -8.369 1.00 1.36 C ATOM 1364 CD GLN A 103 3.076 -5.184 -7.539 1.00 2.17 C ATOM 1365 OE1 GLN A 103 3.953 -6.034 -7.385 1.00 2.70 O ATOM 1366 NE2 GLN A 103 1.870 -5.306 -7.002 1.00 2.96 N ATOM 0 H GLN A 103 5.545 -1.187 -6.470 1.00 0.34 H new ATOM 0 HA GLN A 103 3.274 -1.180 -8.225 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.149 -2.805 -8.383 1.00 0.43 H new ATOM 0 HB3 GLN A 103 4.718 -3.450 -6.811 1.00 0.43 H new ATOM 0 HG2 GLN A 103 2.389 -3.423 -8.544 1.00 1.36 H new ATOM 0 HG3 GLN A 103 3.722 -4.232 -9.344 1.00 1.36 H new ATOM 0 HE21 GLN A 103 1.169 -4.580 -7.152 1.00 2.96 H new ATOM 0 HE22 GLN A 103 1.643 -6.126 -6.439 1.00 2.96 H new ATOM 1375 N ASP A 104 2.935 -2.282 -5.123 1.00 0.30 N ATOM 1376 CA ASP A 104 1.953 -2.600 -4.097 1.00 0.32 C ATOM 1377 C ASP A 104 1.230 -1.348 -3.619 1.00 0.29 C ATOM 1378 O ASP A 104 0.013 -1.367 -3.426 1.00 0.31 O ATOM 1379 CB ASP A 104 2.600 -3.341 -2.916 1.00 0.48 C ATOM 1380 CG ASP A 104 4.078 -3.036 -2.725 1.00 0.88 C ATOM 1381 OD1 ASP A 104 4.888 -3.445 -3.586 1.00 1.09 O ATOM 1382 OD2 ASP A 104 4.438 -2.410 -1.708 1.00 1.87 O ATOM 0 H ASP A 104 3.904 -2.427 -4.839 1.00 0.30 H new ATOM 0 HA ASP A 104 1.215 -3.264 -4.546 1.00 0.32 H new ATOM 0 HB2 ASP A 104 2.066 -3.082 -2.002 1.00 0.48 H new ATOM 0 HB3 ASP A 104 2.478 -4.414 -3.063 1.00 0.48 H new ATOM 1387 N PHE A 105 1.970 -0.259 -3.458 1.00 0.30 N ATOM 1388 CA PHE A 105 1.377 1.020 -3.074 1.00 0.33 C ATOM 1389 C PHE A 105 0.339 1.461 -4.105 1.00 0.32 C ATOM 1390 O PHE A 105 -0.760 1.893 -3.757 1.00 0.38 O ATOM 1391 CB PHE A 105 2.459 2.091 -2.950 1.00 0.38 C ATOM 1392 CG PHE A 105 2.453 2.821 -1.636 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.365 3.596 -1.254 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.543 2.741 -0.785 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.370 4.271 -0.050 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.552 3.414 0.421 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.463 4.180 0.787 1.00 0.33 C ATOM 0 H PHE A 105 2.982 -0.233 -3.587 1.00 0.30 H new ATOM 0 HA PHE A 105 0.887 0.891 -2.109 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.434 1.625 -3.090 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.333 2.814 -3.756 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.507 3.671 -1.906 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.397 2.144 -1.068 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.518 4.870 0.237 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.408 3.341 1.076 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.467 4.708 1.729 1.00 0.33 H new ATOM 1407 N ASN A 106 0.701 1.344 -5.378 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.205 1.694 -6.466 1.00 0.34 C ATOM 1409 C ASN A 106 -1.411 0.763 -6.471 1.00 0.32 C ATOM 1410 O ASN A 106 -2.546 1.218 -6.602 1.00 0.38 O ATOM 1411 CB ASN A 106 0.523 1.626 -7.813 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.418 1.399 -8.982 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -1.240 2.250 -9.314 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.306 0.242 -9.608 1.00 0.97 N ATOM 0 H ASN A 106 1.615 1.009 -5.682 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.552 2.715 -6.311 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.073 2.554 -7.970 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.258 0.821 -7.783 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.915 0.029 -10.398 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.389 -0.438 -9.302 1.00 0.97 H new ATOM 1421 N THR A 107 -1.148 -0.531 -6.293 1.00 0.29 N ATOM 1422 CA THR A 107 -2.193 -1.550 -6.307 1.00 0.30 C ATOM 1423 C THR A 107 -3.305 -1.218 -5.315 1.00 0.26 C ATOM 1424 O THR A 107 -4.488 -1.291 -5.651 1.00 0.27 O ATOM 1425 CB THR A 107 -1.621 -2.948 -5.981 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.558 -3.273 -6.888 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.702 -4.013 -6.063 1.00 0.39 C ATOM 0 H THR A 107 -0.210 -0.899 -6.136 1.00 0.29 H new ATOM 0 HA THR A 107 -2.607 -1.563 -7.315 1.00 0.30 H new ATOM 0 HB THR A 107 -1.234 -2.922 -4.962 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.281 -2.888 -6.560 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.272 -4.987 -5.829 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.493 -3.784 -5.349 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.118 -4.033 -7.070 1.00 0.39 H new ATOM 1435 N MET A 108 -2.913 -0.845 -4.098 1.00 0.26 N ATOM 1436 CA MET A 108 -3.864 -0.460 -3.057 1.00 0.26 C ATOM 1437 C MET A 108 -4.822 0.626 -3.560 1.00 0.24 C ATOM 1438 O MET A 108 -6.024 0.582 -3.287 1.00 0.27 O ATOM 1439 CB MET A 108 -3.099 0.020 -1.813 1.00 0.32 C ATOM 1440 CG MET A 108 -3.713 1.225 -1.111 1.00 0.62 C ATOM 1441 SD MET A 108 -2.466 2.349 -0.450 1.00 0.88 S ATOM 1442 CE MET A 108 -3.479 3.429 0.554 1.00 0.83 C ATOM 0 H MET A 108 -1.936 -0.801 -3.807 1.00 0.26 H new ATOM 0 HA MET A 108 -4.465 -1.330 -2.792 1.00 0.26 H new ATOM 0 HB2 MET A 108 -3.036 -0.804 -1.102 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.078 0.268 -2.105 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.349 1.765 -1.813 1.00 0.62 H new ATOM 0 HG3 MET A 108 -4.354 0.881 -0.299 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.010 4.411 0.620 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.465 3.528 0.101 1.00 0.83 H new ATOM 0 HE3 MET A 108 -3.580 3.007 1.554 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.288 1.577 -4.316 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.077 2.697 -4.813 1.00 0.23 C ATOM 1454 C PHE A 109 -5.993 2.272 -5.959 1.00 0.23 C ATOM 1455 O PHE A 109 -7.195 2.539 -5.929 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.155 3.830 -5.269 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.659 4.686 -4.137 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.549 5.383 -3.337 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.303 4.793 -3.876 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.096 6.169 -2.296 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.843 5.577 -2.836 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.740 6.267 -2.045 1.00 0.22 C ATOM 0 H PHE A 109 -3.308 1.595 -4.599 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.706 3.051 -3.996 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.300 3.404 -5.795 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.688 4.458 -5.983 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.609 5.311 -3.529 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.597 4.257 -4.493 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.800 6.707 -1.678 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.783 5.650 -2.642 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.383 6.882 -1.232 1.00 0.22 H new ATOM 1472 N THR A 110 -5.432 1.598 -6.958 1.00 0.22 N ATOM 1473 CA THR A 110 -6.199 1.199 -8.132 1.00 0.26 C ATOM 1474 C THR A 110 -7.309 0.229 -7.756 1.00 0.25 C ATOM 1475 O THR A 110 -8.442 0.355 -8.218 1.00 0.27 O ATOM 1476 CB THR A 110 -5.299 0.541 -9.190 1.00 0.31 C ATOM 1477 OG1 THR A 110 -3.991 0.315 -8.649 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.194 1.414 -10.427 1.00 0.66 C ATOM 0 H THR A 110 -4.452 1.317 -6.978 1.00 0.22 H new ATOM 0 HA THR A 110 -6.636 2.106 -8.549 1.00 0.26 H new ATOM 0 HB THR A 110 -5.746 -0.412 -9.473 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.424 -0.106 -9.329 1.00 0.49 H new ATOM 0 HG21 THR A 110 -4.552 0.928 -11.162 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.186 1.562 -10.853 1.00 0.66 H new ATOM 0 HG23 THR A 110 -4.768 2.380 -10.156 1.00 0.66 H new ATOM 1486 N ASN A 111 -6.965 -0.725 -6.903 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.908 -1.734 -6.419 1.00 0.27 C ATOM 1488 C ASN A 111 -9.180 -1.085 -5.866 1.00 0.26 C ATOM 1489 O ASN A 111 -10.292 -1.517 -6.178 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.222 -2.604 -5.351 1.00 0.33 C ATOM 1491 CG ASN A 111 -8.090 -2.881 -4.138 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -9.087 -3.592 -4.223 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -7.712 -2.324 -2.997 1.00 1.61 N ATOM 0 H ASN A 111 -6.023 -0.825 -6.524 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.207 -2.366 -7.255 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.929 -3.553 -5.801 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -6.307 -2.110 -5.026 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -8.256 -2.480 -2.148 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.877 -1.739 -2.967 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.010 -0.027 -5.081 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.139 0.659 -4.468 1.00 0.30 C ATOM 1502 C CYS A 112 -11.029 1.301 -5.533 1.00 0.31 C ATOM 1503 O CYS A 112 -12.255 1.307 -5.407 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.634 1.710 -3.470 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.480 3.310 -3.556 1.00 0.63 S ATOM 0 H CYS A 112 -8.100 0.374 -4.855 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.742 -0.072 -3.929 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.741 1.313 -2.461 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.569 1.869 -3.639 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.281 3.844 -4.724 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.407 1.804 -6.593 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.134 2.484 -7.665 1.00 0.36 C ATOM 1513 C TYR A 113 -11.940 1.497 -8.504 1.00 0.41 C ATOM 1514 O TYR A 113 -12.923 1.868 -9.147 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.161 3.240 -8.574 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.434 4.386 -7.904 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.078 5.178 -6.961 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.108 4.674 -8.205 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.422 6.220 -6.338 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.448 5.716 -7.588 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.091 6.496 -6.693 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.452 7.519 -6.028 1.00 0.81 O ATOM 0 H TYR A 113 -9.398 1.755 -6.736 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.822 3.188 -7.197 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.424 2.536 -8.961 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.712 3.628 -9.431 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.109 4.975 -6.712 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.586 4.072 -8.934 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -9.924 6.814 -5.589 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.411 5.909 -7.822 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.536 7.607 -6.366 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.514 0.242 -8.507 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.165 -0.781 -9.313 1.00 0.43 C ATOM 1534 C ILE A 114 -13.285 -1.464 -8.538 1.00 0.47 C ATOM 1535 O ILE A 114 -14.405 -1.603 -9.036 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.158 -1.850 -9.782 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.985 -1.199 -10.522 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.844 -2.877 -10.673 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.724 -2.037 -10.515 1.00 0.44 C ATOM 0 H ILE A 114 -10.720 -0.092 -7.960 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.584 -0.277 -10.184 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.768 -2.362 -8.902 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.279 -1.008 -11.554 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.771 -0.232 -10.067 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -11.117 -3.623 -10.994 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.644 -3.365 -10.116 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.263 -2.378 -11.547 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.936 -1.514 -11.057 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.406 -2.207 -9.486 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.921 -2.995 -10.997 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.980 -1.888 -7.317 1.00 0.44 N ATOM 1552 CA TYR A 115 -13.928 -2.652 -6.512 1.00 0.51 C ATOM 1553 C TYR A 115 -15.104 -1.789 -6.066 1.00 0.52 C ATOM 1554 O TYR A 115 -16.231 -2.277 -5.934 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.225 -3.248 -5.285 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.139 -4.080 -4.410 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.520 -5.359 -4.795 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.626 -3.586 -3.205 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.359 -6.122 -4.006 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.465 -4.344 -2.409 1.00 1.03 C ATOM 1561 CZ TYR A 115 -15.829 -5.611 -2.815 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.664 -6.372 -2.027 1.00 1.22 O ATOM 0 H TYR A 115 -12.084 -1.716 -6.862 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.316 -3.459 -7.134 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.392 -3.867 -5.618 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.803 -2.439 -4.689 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.154 -5.764 -5.727 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.344 -2.594 -2.885 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.645 -7.115 -4.321 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.833 -3.946 -1.475 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.904 -5.867 -1.222 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.846 -0.510 -5.852 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.851 0.379 -5.280 1.00 0.41 C ATOM 1574 C ASN A 116 -16.392 1.350 -6.317 1.00 0.45 C ATOM 1575 O ASN A 116 -15.864 1.458 -7.425 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.268 1.157 -4.099 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.682 0.253 -3.034 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.407 -0.425 -2.306 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.360 0.234 -2.940 1.00 0.88 N ATOM 0 H ASN A 116 -13.954 -0.062 -6.064 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.676 -0.242 -4.931 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.494 1.833 -4.462 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -16.049 1.775 -3.656 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.907 -0.358 -2.244 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.796 0.812 -3.563 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.455 2.049 -5.949 1.00 0.48 N ATOM 1587 CA LYS A 117 -18.054 3.048 -6.817 1.00 0.53 C ATOM 1588 C LYS A 117 -17.293 4.364 -6.699 1.00 0.52 C ATOM 1589 O LYS A 117 -16.753 4.675 -5.637 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.525 3.256 -6.447 1.00 0.65 C ATOM 1591 CG LYS A 117 -20.336 1.972 -6.403 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.705 1.487 -7.795 1.00 1.82 C ATOM 1593 CE LYS A 117 -22.138 0.988 -7.840 1.00 2.62 C ATOM 1594 NZ LYS A 117 -22.281 -0.190 -8.732 1.00 3.47 N ATOM 0 H LYS A 117 -17.922 1.941 -5.049 1.00 0.48 H new ATOM 0 HA LYS A 117 -17.998 2.698 -7.848 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.579 3.742 -5.473 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.978 3.936 -7.168 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -19.765 1.199 -5.889 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -21.244 2.136 -5.823 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -20.577 2.298 -8.512 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -20.029 0.687 -8.095 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -22.463 0.724 -6.834 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -22.791 1.789 -8.187 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -23.273 -0.503 -8.738 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -21.994 0.069 -9.698 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -21.676 -0.962 -8.387 1.00 3.47 H new ATOM 1608 N PRO A 118 -17.249 5.161 -7.778 1.00 0.59 N ATOM 1609 CA PRO A 118 -16.503 6.425 -7.797 1.00 0.68 C ATOM 1610 C PRO A 118 -17.087 7.474 -6.848 1.00 0.70 C ATOM 1611 O PRO A 118 -16.477 8.518 -6.616 1.00 0.81 O ATOM 1612 CB PRO A 118 -16.620 6.892 -9.254 1.00 0.79 C ATOM 1613 CG PRO A 118 -17.821 6.203 -9.796 1.00 0.96 C ATOM 1614 CD PRO A 118 -17.914 4.891 -9.069 1.00 0.68 C ATOM 0 HA PRO A 118 -15.475 6.288 -7.460 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -16.729 7.975 -9.312 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -15.728 6.631 -9.823 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -18.718 6.801 -9.637 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -17.729 6.047 -10.871 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -18.950 4.583 -8.929 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.415 4.092 -9.618 1.00 0.68 H new ATOM 1622 N THR A 119 -18.261 7.193 -6.304 1.00 0.67 N ATOM 1623 CA THR A 119 -18.909 8.108 -5.382 1.00 0.77 C ATOM 1624 C THR A 119 -18.945 7.535 -3.966 1.00 0.69 C ATOM 1625 O THR A 119 -19.839 7.852 -3.179 1.00 0.78 O ATOM 1626 CB THR A 119 -20.342 8.421 -5.846 1.00 0.97 C ATOM 1627 OG1 THR A 119 -20.656 7.639 -7.009 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.496 9.902 -6.163 1.00 1.23 C ATOM 0 H THR A 119 -18.784 6.337 -6.487 1.00 0.67 H new ATOM 0 HA THR A 119 -18.325 9.028 -5.370 1.00 0.77 H new ATOM 0 HB THR A 119 -21.030 8.168 -5.040 1.00 0.97 H new ATOM 0 HG1 THR A 119 -21.570 7.839 -7.301 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.517 10.100 -6.489 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.280 10.489 -5.271 1.00 1.23 H new ATOM 0 HG23 THR A 119 -19.802 10.178 -6.957 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.974 6.683 -3.652 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.879 6.098 -2.319 1.00 0.59 C ATOM 1638 C ASP A 120 -16.839 6.830 -1.483 1.00 0.47 C ATOM 1639 O ASP A 120 -16.005 7.567 -2.016 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.528 4.607 -2.386 1.00 0.63 C ATOM 1641 CG ASP A 120 -17.860 3.885 -1.092 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -19.020 3.458 -0.925 1.00 1.19 O ATOM 1643 OD2 ASP A 120 -16.954 3.722 -0.250 1.00 1.34 O ATOM 0 H ASP A 120 -17.245 6.383 -4.299 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.856 6.202 -1.848 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -18.071 4.143 -3.209 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.466 4.494 -2.602 1.00 0.63 H new ATOM 1648 N ASP A 121 -16.885 6.605 -0.176 1.00 0.52 N ATOM 1649 CA ASP A 121 -15.975 7.255 0.756 1.00 0.51 C ATOM 1650 C ASP A 121 -14.545 6.823 0.488 1.00 0.39 C ATOM 1651 O ASP A 121 -13.651 7.658 0.359 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.333 6.916 2.209 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.820 6.967 2.495 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -18.498 5.928 2.323 1.00 1.44 O ATOM 1655 OD2 ASP A 121 -18.310 8.033 2.916 1.00 1.18 O ATOM 0 H ASP A 121 -17.551 5.970 0.265 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.070 8.331 0.609 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -15.960 5.919 2.443 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -15.820 7.612 2.873 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.340 5.514 0.377 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.002 4.960 0.216 1.00 0.27 C ATOM 1662 C ILE A 122 -12.348 5.468 -1.070 1.00 0.25 C ATOM 1663 O ILE A 122 -11.143 5.729 -1.104 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.021 3.408 0.234 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -11.608 2.846 0.057 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -13.949 2.860 -0.841 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -10.801 2.820 1.336 1.00 0.42 C ATOM 0 H ILE A 122 -15.085 4.817 0.396 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.408 5.300 1.065 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.400 3.090 1.205 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -11.676 1.833 -0.340 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.079 3.444 -0.685 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -13.943 1.771 -0.806 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -14.962 3.223 -0.667 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.607 3.193 -1.821 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -9.812 2.410 1.134 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -10.701 3.834 1.724 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.308 2.198 2.073 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.150 5.637 -2.113 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.653 6.162 -3.374 1.00 0.25 C ATOM 1681 C VAL A 123 -12.307 7.640 -3.228 1.00 0.24 C ATOM 1682 O VAL A 123 -11.233 8.085 -3.641 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.684 5.983 -4.512 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.513 7.066 -5.568 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.560 4.597 -5.133 1.00 0.32 C ATOM 0 H VAL A 123 -14.146 5.418 -2.109 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.757 5.598 -3.634 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.684 6.079 -4.088 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.248 6.922 -6.360 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.659 8.045 -5.112 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.510 7.008 -5.990 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.294 4.489 -5.932 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.557 4.470 -5.541 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.740 3.839 -4.371 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.223 8.390 -2.624 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.040 9.821 -2.432 1.00 0.31 C ATOM 1697 C LEU A 124 -11.810 10.084 -1.578 1.00 0.29 C ATOM 1698 O LEU A 124 -11.087 11.061 -1.785 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.275 10.430 -1.767 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.238 11.141 -2.719 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.653 11.124 -2.159 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.780 12.570 -2.970 1.00 0.49 C ATOM 0 H LEU A 124 -14.103 8.027 -2.258 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.900 10.286 -3.408 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.818 9.639 -1.249 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.947 11.141 -1.008 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.239 10.608 -3.670 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.324 11.634 -2.850 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.981 10.093 -2.030 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.669 11.633 -1.195 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.477 13.061 -3.649 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.750 13.114 -2.026 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.785 12.560 -3.415 1.00 0.49 H new ATOM 1714 N MET A 125 -11.573 9.199 -0.623 1.00 0.25 N ATOM 1715 CA MET A 125 -10.424 9.319 0.251 1.00 0.26 C ATOM 1716 C MET A 125 -9.146 8.965 -0.493 1.00 0.24 C ATOM 1717 O MET A 125 -8.145 9.662 -0.376 1.00 0.25 O ATOM 1718 CB MET A 125 -10.583 8.430 1.487 1.00 0.35 C ATOM 1719 CG MET A 125 -11.688 8.888 2.420 1.00 0.62 C ATOM 1720 SD MET A 125 -12.338 7.550 3.438 1.00 0.54 S ATOM 1721 CE MET A 125 -13.398 8.471 4.543 1.00 0.62 C ATOM 0 H MET A 125 -12.164 8.389 -0.436 1.00 0.25 H new ATOM 0 HA MET A 125 -10.359 10.356 0.581 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.788 7.408 1.167 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.641 8.409 2.034 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.308 9.679 3.066 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.499 9.319 1.832 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.919 7.781 5.206 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.795 9.159 5.136 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.127 9.036 3.962 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.200 7.892 -1.277 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.042 7.432 -2.042 1.00 0.27 C ATOM 1733 C ALA A 126 -7.511 8.526 -2.965 1.00 0.25 C ATOM 1734 O ALA A 126 -6.303 8.639 -3.176 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.397 6.192 -2.848 1.00 0.31 C ATOM 0 H ALA A 126 -10.037 7.322 -1.400 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.254 7.181 -1.331 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.524 5.862 -3.412 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.714 5.397 -2.173 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.207 6.426 -3.538 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.419 9.332 -3.505 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.045 10.431 -4.388 1.00 0.30 C ATOM 1743 C GLN A 127 -7.187 11.458 -3.651 1.00 0.28 C ATOM 1744 O GLN A 127 -6.190 11.947 -4.183 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.296 11.106 -4.956 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.080 11.735 -6.322 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.052 12.863 -6.604 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -9.653 14.014 -6.780 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -11.335 12.543 -6.649 1.00 1.62 N ATOM 0 H GLN A 127 -9.423 9.244 -3.346 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.458 10.019 -5.209 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.096 10.369 -5.027 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.632 11.875 -4.260 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -8.060 12.114 -6.386 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.184 10.970 -7.091 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.625 11.577 -6.498 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -12.034 13.262 -6.835 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.576 11.772 -2.420 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.835 12.727 -1.602 1.00 0.28 C ATOM 1760 C ALA A 128 -5.580 12.080 -1.031 1.00 0.24 C ATOM 1761 O ALA A 128 -4.517 12.696 -0.981 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.716 13.260 -0.480 1.00 0.32 C ATOM 0 H ALA A 128 -8.401 11.379 -1.966 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.534 13.563 -2.234 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.149 13.971 0.121 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.587 13.758 -0.906 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.044 12.433 0.150 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.720 10.826 -0.622 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.617 10.045 -0.069 1.00 0.17 C ATOM 1770 C LEU A 129 -3.460 9.963 -1.063 1.00 0.17 C ATOM 1771 O LEU A 129 -2.291 10.056 -0.691 1.00 0.19 O ATOM 1772 CB LEU A 129 -5.104 8.630 0.267 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.591 8.391 1.704 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.365 9.587 2.232 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.452 7.138 1.754 1.00 0.33 C ATOM 0 H LEU A 129 -6.604 10.319 -0.664 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.264 10.538 0.837 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.917 8.379 -0.414 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.291 7.933 0.063 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.718 8.254 2.343 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.695 9.385 3.251 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.723 10.467 2.226 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.233 9.767 1.598 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.795 6.973 2.775 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -7.313 7.262 1.098 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.866 6.280 1.425 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.804 9.803 -2.335 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.811 9.658 -3.394 1.00 0.22 C ATOM 1789 C GLU A 130 -1.972 10.923 -3.552 1.00 0.20 C ATOM 1790 O GLU A 130 -0.822 10.861 -3.986 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.506 9.328 -4.716 1.00 0.34 C ATOM 1792 CG GLU A 130 -2.805 8.251 -5.527 1.00 0.76 C ATOM 1793 CD GLU A 130 -2.116 8.804 -6.757 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -2.629 9.787 -7.334 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -1.060 8.262 -7.147 1.00 1.47 O ATOM 0 H GLU A 130 -4.770 9.770 -2.660 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.142 8.843 -3.117 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.527 9.007 -4.508 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.573 10.235 -5.316 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.070 7.749 -4.898 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -3.533 7.498 -5.830 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.543 12.065 -3.182 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.843 13.336 -3.294 1.00 0.28 C ATOM 1804 C LYS A 131 -0.640 13.348 -2.363 1.00 0.25 C ATOM 1805 O LYS A 131 0.412 13.883 -2.699 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.779 14.502 -2.962 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.828 14.767 -4.032 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.828 15.822 -3.585 1.00 1.18 C ATOM 1809 CE LYS A 131 -6.193 15.601 -4.215 1.00 1.56 C ATOM 1810 NZ LYS A 131 -6.882 16.882 -4.524 1.00 2.24 N ATOM 0 H LYS A 131 -3.487 12.134 -2.803 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.501 13.454 -4.322 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.281 14.296 -2.017 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.184 15.404 -2.817 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.339 15.094 -4.949 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -4.354 13.841 -4.264 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -4.920 15.800 -2.499 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -4.458 16.812 -3.854 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -6.079 15.021 -5.131 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.812 15.011 -3.539 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -7.809 16.683 -4.952 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -7.015 17.425 -3.647 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -6.305 17.435 -5.189 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.802 12.722 -1.204 1.00 0.28 N ATOM 1825 CA ILE A 132 0.272 12.627 -0.227 1.00 0.33 C ATOM 1826 C ILE A 132 1.310 11.608 -0.677 1.00 0.26 C ATOM 1827 O ILE A 132 2.498 11.740 -0.375 1.00 0.29 O ATOM 1828 CB ILE A 132 -0.254 12.227 1.167 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.648 12.810 1.407 1.00 0.46 C ATOM 1830 CG2 ILE A 132 0.710 12.696 2.249 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -2.365 12.188 2.578 1.00 0.59 C ATOM 0 H ILE A 132 -1.671 12.271 -0.918 1.00 0.28 H new ATOM 0 HA ILE A 132 0.727 13.615 -0.154 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.326 11.140 1.209 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.561 13.884 1.573 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -2.250 12.674 0.508 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.327 12.407 3.228 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.686 12.236 2.091 1.00 1.23 H new ATOM 0 HG23 ILE A 132 0.808 13.781 2.203 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -3.347 12.649 2.690 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -2.484 11.118 2.405 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.784 12.347 3.486 1.00 0.59 H new ATOM 1843 N PHE A 133 0.852 10.598 -1.408 1.00 0.25 N ATOM 1844 CA PHE A 133 1.740 9.581 -1.952 1.00 0.28 C ATOM 1845 C PHE A 133 2.780 10.225 -2.866 1.00 0.26 C ATOM 1846 O PHE A 133 3.974 10.189 -2.576 1.00 0.28 O ATOM 1847 CB PHE A 133 0.936 8.527 -2.720 1.00 0.34 C ATOM 1848 CG PHE A 133 1.795 7.493 -3.393 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.625 6.668 -2.649 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.765 7.341 -4.769 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.406 5.711 -3.269 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.543 6.388 -5.392 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.397 5.593 -4.630 1.00 0.44 C ATOM 0 H PHE A 133 -0.133 10.463 -1.637 1.00 0.25 H new ATOM 0 HA PHE A 133 2.256 9.090 -1.127 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.253 8.029 -2.032 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.324 9.025 -3.472 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.661 6.774 -1.575 1.00 0.36 H new ATOM 0 HD2 PHE A 133 1.124 7.977 -5.362 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.025 5.055 -2.676 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.491 6.259 -6.463 1.00 0.46 H new ATOM 0 HZ PHE A 133 4.051 4.884 -5.115 1.00 0.44 H new ATOM 1863 N LEU A 134 2.319 10.859 -3.944 1.00 0.27 N ATOM 1864 CA LEU A 134 3.228 11.490 -4.900 1.00 0.34 C ATOM 1865 C LEU A 134 4.011 12.616 -4.231 1.00 0.34 C ATOM 1866 O LEU A 134 5.155 12.890 -4.584 1.00 0.43 O ATOM 1867 CB LEU A 134 2.467 12.029 -6.119 1.00 0.42 C ATOM 1868 CG LEU A 134 1.151 12.745 -5.818 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.319 14.252 -5.950 1.00 0.64 C ATOM 1870 CD2 LEU A 134 0.056 12.248 -6.748 1.00 0.59 C ATOM 0 H LEU A 134 1.330 10.949 -4.176 1.00 0.27 H new ATOM 0 HA LEU A 134 3.928 10.729 -5.245 1.00 0.34 H new ATOM 0 HB2 LEU A 134 3.119 12.718 -6.655 1.00 0.42 H new ATOM 0 HB3 LEU A 134 2.260 11.197 -6.792 1.00 0.42 H new ATOM 0 HG LEU A 134 0.863 12.522 -4.791 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.371 14.744 -5.732 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.077 14.597 -5.247 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.629 14.496 -6.966 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -0.876 12.766 -6.523 1.00 0.59 H new ATOM 0 HD22 LEU A 134 0.340 12.445 -7.782 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.082 11.176 -6.607 1.00 0.59 H new ATOM 1882 N GLN A 135 3.385 13.235 -3.240 1.00 0.29 N ATOM 1883 CA GLN A 135 3.983 14.332 -2.491 1.00 0.35 C ATOM 1884 C GLN A 135 5.281 13.919 -1.802 1.00 0.36 C ATOM 1885 O GLN A 135 6.175 14.736 -1.601 1.00 0.55 O ATOM 1886 CB GLN A 135 2.993 14.817 -1.442 1.00 0.37 C ATOM 1887 CG GLN A 135 2.652 16.287 -1.554 1.00 0.51 C ATOM 1888 CD GLN A 135 2.830 17.013 -0.237 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.814 16.802 0.475 1.00 1.43 O ATOM 1890 NE2 GLN A 135 1.875 17.864 0.102 1.00 1.61 N ATOM 0 H GLN A 135 2.444 12.990 -2.931 1.00 0.29 H new ATOM 0 HA GLN A 135 4.221 15.127 -3.198 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.076 14.234 -1.525 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.405 14.624 -0.451 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.285 16.749 -2.311 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.621 16.395 -1.891 1.00 0.51 H new ATOM 0 HE21 GLN A 135 1.077 18.009 -0.517 1.00 1.61 H new ATOM 0 HE22 GLN A 135 1.936 18.375 0.982 1.00 1.61 H new ATOM 1899 N LYS A 136 5.368 12.663 -1.406 1.00 0.25 N ATOM 1900 CA LYS A 136 6.552 12.162 -0.730 1.00 0.26 C ATOM 1901 C LYS A 136 7.445 11.407 -1.709 1.00 0.23 C ATOM 1902 O LYS A 136 8.652 11.273 -1.496 1.00 0.25 O ATOM 1903 CB LYS A 136 6.144 11.260 0.435 1.00 0.32 C ATOM 1904 CG LYS A 136 6.033 11.990 1.766 1.00 0.54 C ATOM 1905 CD LYS A 136 4.895 13.002 1.768 1.00 0.50 C ATOM 1906 CE LYS A 136 5.329 14.343 2.343 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.028 15.192 1.336 1.00 1.52 N ATOM 0 H LYS A 136 4.632 11.969 -1.541 1.00 0.25 H new ATOM 0 HA LYS A 136 7.118 13.006 -0.336 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.185 10.796 0.205 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.873 10.455 0.532 1.00 0.32 H new ATOM 0 HG2 LYS A 136 5.875 11.265 2.565 1.00 0.54 H new ATOM 0 HG3 LYS A 136 6.972 12.500 1.979 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.533 13.144 0.750 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.061 12.610 2.351 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.455 14.875 2.719 1.00 0.63 H new ATOM 0 HE3 LYS A 136 5.989 14.174 3.194 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.878 15.611 1.765 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.303 14.608 0.521 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 5.391 15.950 1.019 1.00 1.52 H new ATOM 1921 N VAL A 137 6.842 10.941 -2.792 1.00 0.23 N ATOM 1922 CA VAL A 137 7.552 10.187 -3.815 1.00 0.25 C ATOM 1923 C VAL A 137 8.358 11.128 -4.708 1.00 0.30 C ATOM 1924 O VAL A 137 9.432 10.776 -5.189 1.00 0.33 O ATOM 1925 CB VAL A 137 6.563 9.362 -4.671 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.242 8.772 -5.897 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.925 8.267 -3.831 1.00 0.33 C ATOM 0 H VAL A 137 5.850 11.074 -2.987 1.00 0.23 H new ATOM 0 HA VAL A 137 8.237 9.501 -3.317 1.00 0.25 H new ATOM 0 HB VAL A 137 5.782 10.036 -5.022 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.516 8.199 -6.474 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.642 9.577 -6.514 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.055 8.117 -5.583 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.231 7.694 -4.446 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.701 7.605 -3.446 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.385 8.716 -2.997 1.00 0.33 H new ATOM 1937 N ALA A 138 7.852 12.340 -4.903 1.00 0.34 N ATOM 1938 CA ALA A 138 8.547 13.337 -5.706 1.00 0.43 C ATOM 1939 C ALA A 138 9.818 13.792 -5.004 1.00 0.43 C ATOM 1940 O ALA A 138 10.721 14.356 -5.623 1.00 0.50 O ATOM 1941 CB ALA A 138 7.638 14.525 -5.982 1.00 0.50 C ATOM 0 H ALA A 138 6.963 12.655 -4.516 1.00 0.34 H new ATOM 0 HA ALA A 138 8.821 12.884 -6.659 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.173 15.260 -6.583 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.753 14.188 -6.523 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.335 14.979 -5.038 1.00 0.50 H new ATOM 1947 N GLN A 139 9.880 13.533 -3.705 1.00 0.39 N ATOM 1948 CA GLN A 139 11.033 13.897 -2.905 1.00 0.43 C ATOM 1949 C GLN A 139 11.957 12.692 -2.726 1.00 0.40 C ATOM 1950 O GLN A 139 12.969 12.767 -2.029 1.00 0.45 O ATOM 1951 CB GLN A 139 10.580 14.437 -1.546 1.00 0.45 C ATOM 1952 CG GLN A 139 9.309 15.266 -1.617 1.00 0.54 C ATOM 1953 CD GLN A 139 9.259 16.357 -0.569 1.00 1.08 C ATOM 1954 OE1 GLN A 139 8.485 16.284 0.381 1.00 1.76 O ATOM 1955 NE2 GLN A 139 10.085 17.376 -0.733 1.00 1.56 N ATOM 0 H GLN A 139 9.137 13.068 -3.183 1.00 0.39 H new ATOM 0 HA GLN A 139 11.588 14.680 -3.422 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.421 13.600 -0.866 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.378 15.046 -1.121 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.229 15.716 -2.607 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.446 14.611 -1.494 1.00 0.54 H new ATOM 0 HE21 GLN A 139 10.713 17.399 -1.536 1.00 1.56 H new ATOM 0 HE22 GLN A 139 10.094 18.139 -0.056 1.00 1.56 H new ATOM 1964 N MET A 140 11.590 11.579 -3.359 1.00 0.35 N ATOM 1965 CA MET A 140 12.397 10.361 -3.319 1.00 0.35 C ATOM 1966 C MET A 140 13.713 10.563 -4.061 1.00 0.40 C ATOM 1967 O MET A 140 13.774 11.322 -5.031 1.00 0.48 O ATOM 1968 CB MET A 140 11.635 9.195 -3.957 1.00 0.38 C ATOM 1969 CG MET A 140 11.229 8.112 -2.978 1.00 0.66 C ATOM 1970 SD MET A 140 10.838 6.553 -3.790 1.00 0.86 S ATOM 1971 CE MET A 140 9.195 6.250 -3.155 1.00 0.67 C ATOM 0 H MET A 140 10.735 11.496 -3.908 1.00 0.35 H new ATOM 0 HA MET A 140 12.606 10.131 -2.274 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.741 9.583 -4.445 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.256 8.752 -4.736 1.00 0.38 H new ATOM 0 HG2 MET A 140 12.037 7.952 -2.264 1.00 0.66 H new ATOM 0 HG3 MET A 140 10.362 8.448 -2.409 1.00 0.66 H new ATOM 0 HE1 MET A 140 9.167 5.274 -2.670 1.00 0.67 H new ATOM 0 HE2 MET A 140 8.936 7.023 -2.431 1.00 0.67 H new ATOM 0 HE3 MET A 140 8.479 6.268 -3.976 1.00 0.67 H new ATOM 1981 N PRO A 141 14.789 9.898 -3.610 1.00 0.42 N ATOM 1982 CA PRO A 141 16.079 9.946 -4.296 1.00 0.52 C ATOM 1983 C PRO A 141 16.065 9.110 -5.574 1.00 0.61 C ATOM 1984 O PRO A 141 16.121 7.879 -5.522 1.00 0.67 O ATOM 1985 CB PRO A 141 17.045 9.354 -3.271 1.00 0.55 C ATOM 1986 CG PRO A 141 16.214 8.453 -2.427 1.00 0.53 C ATOM 1987 CD PRO A 141 14.838 9.064 -2.390 1.00 0.46 C ATOM 0 HA PRO A 141 16.349 10.954 -4.612 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.850 8.805 -3.760 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.511 10.136 -2.672 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.182 7.447 -2.846 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.629 8.367 -1.423 1.00 0.53 H new ATOM 0 HD2 PRO A 141 14.061 8.300 -2.396 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.690 9.662 -1.491 1.00 0.46 H new ATOM 1995 N GLN A 142 16.016 9.783 -6.717 1.00 0.76 N ATOM 1996 CA GLN A 142 15.888 9.117 -8.013 1.00 0.94 C ATOM 1997 C GLN A 142 17.202 8.467 -8.440 1.00 0.93 C ATOM 1998 O GLN A 142 17.336 7.986 -9.561 1.00 1.17 O ATOM 1999 CB GLN A 142 15.429 10.121 -9.073 1.00 1.21 C ATOM 2000 CG GLN A 142 14.226 9.653 -9.877 1.00 1.60 C ATOM 2001 CD GLN A 142 14.526 9.530 -11.357 1.00 2.34 C ATOM 2002 OE1 GLN A 142 14.849 10.514 -12.025 1.00 2.87 O ATOM 2003 NE2 GLN A 142 14.416 8.324 -11.884 1.00 2.91 N ATOM 0 H GLN A 142 16.063 10.800 -6.775 1.00 0.76 H new ATOM 0 HA GLN A 142 15.142 8.328 -7.914 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.184 11.065 -8.585 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.256 10.320 -9.755 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.893 8.688 -9.496 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.403 10.354 -9.734 1.00 1.60 H new ATOM 0 HE21 GLN A 142 14.146 7.534 -11.298 1.00 2.91 H new ATOM 0 HE22 GLN A 142 14.601 8.183 -12.877 1.00 2.91 H new ATOM 2012 N GLU A 143 18.160 8.454 -7.531 1.00 0.80 N ATOM 2013 CA GLU A 143 19.450 7.849 -7.783 1.00 0.91 C ATOM 2014 C GLU A 143 19.430 6.392 -7.352 1.00 0.87 C ATOM 2015 O GLU A 143 20.004 5.527 -8.013 1.00 1.20 O ATOM 2016 CB GLU A 143 20.532 8.592 -7.011 1.00 1.04 C ATOM 2017 CG GLU A 143 20.513 10.097 -7.219 1.00 1.22 C ATOM 2018 CD GLU A 143 21.763 10.771 -6.696 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.739 10.906 -7.463 1.00 2.30 O ATOM 2020 OE2 GLU A 143 21.780 11.166 -5.510 1.00 2.70 O ATOM 0 H GLU A 143 18.064 8.862 -6.601 1.00 0.80 H new ATOM 0 HA GLU A 143 19.665 7.907 -8.850 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.416 8.380 -5.948 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.507 8.206 -7.309 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.406 10.312 -8.282 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.641 10.518 -6.719 1.00 1.22 H new ATOM 2027 N GLU A 144 18.754 6.154 -6.228 1.00 0.77 N ATOM 2028 CA GLU A 144 18.658 4.833 -5.614 1.00 0.77 C ATOM 2029 C GLU A 144 20.038 4.327 -5.209 1.00 0.82 C ATOM 2030 O GLU A 144 20.743 3.695 -5.995 1.00 1.16 O ATOM 2031 CB GLU A 144 17.970 3.829 -6.544 1.00 0.82 C ATOM 2032 CG GLU A 144 17.300 2.688 -5.798 1.00 1.04 C ATOM 2033 CD GLU A 144 16.633 1.691 -6.722 1.00 1.58 C ATOM 2034 OE1 GLU A 144 17.341 1.032 -7.510 1.00 1.87 O ATOM 2035 OE2 GLU A 144 15.398 1.551 -6.649 1.00 2.34 O ATOM 0 H GLU A 144 18.254 6.880 -5.715 1.00 0.77 H new ATOM 0 HA GLU A 144 18.045 4.930 -4.718 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.224 4.351 -7.144 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.706 3.420 -7.236 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.043 2.172 -5.190 1.00 1.04 H new ATOM 0 HG3 GLU A 144 16.556 3.095 -5.113 1.00 1.04 H new ATOM 2042 N VAL A 145 20.421 4.618 -3.979 1.00 0.63 N ATOM 2043 CA VAL A 145 21.713 4.191 -3.466 1.00 0.68 C ATOM 2044 C VAL A 145 21.510 3.133 -2.397 1.00 0.61 C ATOM 2045 O VAL A 145 20.752 3.340 -1.450 1.00 0.61 O ATOM 2046 CB VAL A 145 22.516 5.367 -2.873 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.961 4.960 -2.631 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.446 6.587 -3.783 1.00 0.88 C ATOM 0 H VAL A 145 19.857 5.148 -3.315 1.00 0.63 H new ATOM 0 HA VAL A 145 22.282 3.784 -4.301 1.00 0.68 H new ATOM 0 HB VAL A 145 22.069 5.634 -1.915 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.511 5.803 -2.213 1.00 0.99 H new ATOM 0 HG12 VAL A 145 23.991 4.124 -1.932 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.418 4.661 -3.574 1.00 0.99 H new ATOM 0 HG21 VAL A 145 23.020 7.403 -3.343 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.861 6.337 -4.759 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.407 6.896 -3.899 1.00 0.88 H new ATOM 2058 N GLU A 146 22.164 1.995 -2.561 1.00 0.66 N ATOM 2059 CA GLU A 146 22.005 0.890 -1.632 1.00 0.68 C ATOM 2060 C GLU A 146 22.675 1.194 -0.296 1.00 0.72 C ATOM 2061 O GLU A 146 23.676 1.915 -0.236 1.00 0.75 O ATOM 2062 CB GLU A 146 22.573 -0.391 -2.226 1.00 0.79 C ATOM 2063 CG GLU A 146 21.775 -1.630 -1.867 1.00 1.00 C ATOM 2064 CD GLU A 146 22.508 -2.909 -2.202 1.00 1.10 C ATOM 2065 OE1 GLU A 146 22.491 -3.318 -3.381 1.00 1.24 O ATOM 2066 OE2 GLU A 146 23.106 -3.513 -1.295 1.00 1.53 O ATOM 0 H GLU A 146 22.810 1.813 -3.329 1.00 0.66 H new ATOM 0 HA GLU A 146 20.938 0.753 -1.454 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.610 -0.294 -3.311 1.00 0.79 H new ATOM 0 HB3 GLU A 146 23.600 -0.517 -1.882 1.00 0.79 H new ATOM 0 HG2 GLU A 146 21.546 -1.615 -0.801 1.00 1.00 H new ATOM 0 HG3 GLU A 146 20.823 -1.611 -2.397 1.00 1.00 H new ATOM 2073 N LEU A 147 22.118 0.643 0.770 1.00 0.76 N ATOM 2074 CA LEU A 147 22.630 0.879 2.107 1.00 0.86 C ATOM 2075 C LEU A 147 23.414 -0.329 2.600 1.00 1.01 C ATOM 2076 O LEU A 147 24.184 -0.192 3.574 1.00 1.57 O ATOM 2077 CB LEU A 147 21.484 1.181 3.068 1.00 0.86 C ATOM 2078 CG LEU A 147 20.483 2.223 2.575 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.225 2.189 3.424 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.104 3.612 2.586 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.255 -1.418 2.010 1.00 1.46 O ATOM 0 H LEU A 147 21.307 0.026 0.733 1.00 0.76 H new ATOM 0 HA LEU A 147 23.298 1.739 2.070 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.949 0.254 3.273 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.904 1.522 4.014 1.00 0.86 H new ATOM 0 HG LEU A 147 20.211 1.983 1.547 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.521 2.937 3.061 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.770 1.201 3.360 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.480 2.405 4.462 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.374 4.340 2.231 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.407 3.867 3.602 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.977 3.626 1.933 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -17.303 -1.881 8.607 1.00 2.17 N ATOM 2095 CA GLY B 311 -17.323 -2.701 7.372 1.00 1.75 C ATOM 2096 C GLY B 311 -17.293 -1.842 6.130 1.00 1.45 C ATOM 2097 O GLY B 311 -16.921 -0.670 6.194 1.00 1.85 O ATOM 0 HA2 GLY B 311 -16.466 -3.375 7.369 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -18.218 -3.323 7.363 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.895 -0.623 -0.780 1.00 1.52 O HETATM 2102 CH ALY B 312 -11.613 -1.251 0.241 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -10.195 -1.322 0.736 1.00 1.86 C HETATM 2104 NZ ALY B 312 -12.522 -1.892 0.966 1.00 1.27 N HETATM 2105 CE ALY B 312 -13.944 -1.931 0.636 1.00 1.51 C HETATM 2106 CD ALY B 312 -14.797 -2.279 1.845 1.00 1.71 C HETATM 2107 CG ALY B 312 -16.241 -1.842 1.657 1.00 1.76 C HETATM 2108 CB ALY B 312 -17.172 -2.574 2.611 1.00 1.59 C HETATM 2109 CA ALY B 312 -17.714 -1.694 3.739 1.00 1.22 C HETATM 2110 N ALY B 312 -17.689 -2.417 5.002 1.00 1.27 N HETATM 2111 C ALY B 312 -19.133 -1.243 3.414 1.00 1.31 C HETATM 2112 O ALY B 312 -20.100 -1.710 4.022 1.00 1.71 O HETATM 0 HH33 ALY B 312 -9.566 -1.781 -0.027 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -9.833 -0.316 0.948 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -10.157 -1.921 1.646 1.00 1.86 H new HETATM 0 HZ ALY B 312 -12.209 -2.386 1.802 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -16.549 -2.032 0.629 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -16.322 -0.767 1.821 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -14.114 -2.665 -0.152 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -14.252 -0.963 0.241 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -14.384 -1.799 2.732 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -14.762 -3.355 2.018 1.00 1.71 H new HETATM 0 HCA ALY B 312 -17.079 -0.813 3.833 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -16.640 -3.420 3.046 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -18.010 -2.981 2.045 1.00 1.59 H new HETATM 0 H ALY B 312 -17.341 -3.375 5.034 1.00 1.27 H new ATOM 2127 N GLY B 313 -19.252 -0.327 2.466 1.00 1.29 N ATOM 2128 CA GLY B 313 -20.554 0.156 2.062 1.00 1.46 C ATOM 2129 C GLY B 313 -20.703 1.636 2.312 1.00 1.36 C ATOM 2130 O GLY B 313 -21.143 2.383 1.439 1.00 1.97 O ATOM 0 H GLY B 313 -18.467 0.092 1.968 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -20.706 -0.051 1.003 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -21.328 -0.385 2.607 1.00 1.46 H new ATOM 2134 N LYS B 314 -20.333 2.062 3.510 1.00 1.20 N ATOM 2135 CA LYS B 314 -20.372 3.469 3.868 1.00 1.15 C ATOM 2136 C LYS B 314 -19.414 3.746 5.015 1.00 1.02 C ATOM 2137 O LYS B 314 -19.494 3.117 6.070 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.791 3.898 4.254 1.00 1.53 C ATOM 2139 CG LYS B 314 -22.174 5.270 3.718 1.00 1.97 C ATOM 2140 CD LYS B 314 -22.586 5.205 2.253 1.00 2.24 C ATOM 2141 CE LYS B 314 -21.584 5.914 1.352 1.00 2.95 C ATOM 2142 NZ LYS B 314 -20.517 4.995 0.873 1.00 3.58 N ATOM 0 H LYS B 314 -20.001 1.448 4.254 1.00 1.20 H new ATOM 0 HA LYS B 314 -20.064 4.049 2.998 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -22.500 3.159 3.881 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.878 3.903 5.340 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -22.994 5.676 4.310 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -21.332 5.953 3.830 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -22.676 4.163 1.947 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -23.569 5.659 2.131 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -22.106 6.341 0.496 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -21.131 6.743 1.896 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -19.612 5.255 1.314 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -20.760 4.017 1.130 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -20.433 5.070 -0.161 1.00 3.58 H new HETATM 2156 OH ALY B 315 -13.313 -0.128 6.872 1.00 1.76 O HETATM 2157 CH ALY B 315 -13.307 0.102 5.663 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -12.528 -0.770 4.718 1.00 1.45 C HETATM 2159 NZ ALY B 315 -13.968 1.113 5.116 1.00 1.04 N HETATM 2160 CE ALY B 315 -14.775 2.060 5.880 1.00 1.26 C HETATM 2161 CD ALY B 315 -16.029 2.474 5.129 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.825 3.778 4.371 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.101 4.993 5.248 1.00 0.92 C HETATM 2164 CA ALY B 315 -17.529 5.047 5.811 1.00 0.90 C HETATM 2165 N ALY B 315 -18.497 4.675 4.793 1.00 0.86 N HETATM 2166 C ALY B 315 -17.842 6.444 6.333 1.00 1.19 C HETATM 2167 O ALY B 315 -17.089 7.395 6.109 1.00 1.94 O HETATM 0 HH33 ALY B 315 -11.472 -0.746 4.988 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -12.896 -1.794 4.781 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -12.651 -0.403 3.699 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.909 1.236 4.105 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -16.483 3.800 3.502 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -14.802 3.825 3.997 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -14.179 2.944 6.106 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -15.055 1.612 6.833 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -16.854 2.587 5.832 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -16.311 1.687 4.430 1.00 1.06 H new HETATM 0 HCA ALY B 315 -17.595 4.336 6.634 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -15.916 5.897 4.667 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -15.394 4.997 6.078 1.00 0.92 H new ATOM 2182 N LYS B 316 -18.970 6.561 7.015 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.410 7.834 7.557 1.00 1.75 C ATOM 2184 C LYS B 316 -19.603 7.720 9.058 1.00 2.25 C ATOM 2185 O LYS B 316 -19.484 8.745 9.752 1.00 2.57 O ATOM 2186 CB LYS B 316 -20.718 8.275 6.897 1.00 2.43 C ATOM 2187 CG LYS B 316 -20.527 8.914 5.530 1.00 2.91 C ATOM 2188 CD LYS B 316 -20.203 10.394 5.646 1.00 3.60 C ATOM 2189 CE LYS B 316 -19.335 10.867 4.490 1.00 4.12 C ATOM 2190 NZ LYS B 316 -18.034 10.150 4.438 1.00 4.60 N ATOM 0 H LYS B 316 -19.601 5.783 7.207 1.00 1.45 H new ATOM 0 HA LYS B 316 -18.645 8.582 7.349 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -21.373 7.410 6.796 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -21.225 8.984 7.552 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -19.723 8.405 4.999 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -21.432 8.784 4.937 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -21.128 10.970 5.667 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -19.689 10.582 6.589 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -19.869 10.717 3.552 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -19.155 11.938 4.587 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -17.258 10.841 4.396 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -17.928 9.562 5.289 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -18.005 9.545 3.593 1.00 4.60 H new TER 2204 LYS B 316