USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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: A1001 OLA HO2 : A1001 OLA O2 : A1001 OLA C1 :(short bond) USER MOD Set 1.1: A 86 THR OG1 : rot -121:sc= 2.22 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -6.79! C(o=-2.9!,f=-13!) USER MOD Set 1.3: A 104 HIS : no HD1:sc= 0.446 K(o=-2.9,f=-9.7!) USER MOD Set 1.4: A 116 TYR OH : rot 57:sc= 1.22 USER MOD Set 2.1: A 43 LYS NZ :NH3+ -161:sc= -0.68! (180deg=-0.73!) USER MOD Set 2.2: A 58 MET CE :methyl 166:sc= -0.629 (180deg=-0.336) USER MOD Set 2.3: A 60 ASN : amide:sc= -3.2! C(o=-8.2!,f=-12!) USER MOD Set 2.4: A 67 THR OG1 : rot 119:sc= -0.797 USER MOD Set 2.5: A 69 HIS : no HE2:sc= -3.17! C(o=-8.2!,f=-12!) USER MOD Set 2.6: A 118 TYR OH : rot -167:sc= 2.08 USER MOD Set 2.7: A 127 MET CE :methyl -134:sc= -1.82! (180deg=-2.21) USER MOD Set 3.1: A 63 THR OG1 : rot 160:sc= -0.677 USER MOD Set 3.2: A 64 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0406) USER MOD Set 4.1: A 50 SER OG : rot 119:sc= 1.1 USER MOD Set 4.2: A 52 LYS NZ :NH3+ 153:sc= 2.39 (180deg=0.271) USER MOD Set 5.1: A 22 TYR OH : rot 31:sc= 0.235 USER MOD Set 5.2: A 129 MET CE :methyl -140:sc= -1.88! (180deg=-5.69!) USER MOD Set 6.1: A 10 THR OG1 : rot -4:sc= 0.688 USER MOD Set 6.2: A 44 LYS NZ :NH3+ -146:sc= 0.425 (180deg=-0.0416) USER MOD Single : A 0 SER OG : rot -149:sc= 0.0197 USER MOD Single : A 1 LYS NZ :NH3+ -165:sc= -0.0404 (180deg=-0.277) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A -3 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.35) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A -7 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.0034) USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 167:sc= -0.0263 (180deg=-0.201) USER MOD Single : A 18 ASN : amide:sc= 0.48 K(o=0.48,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 152:sc= 1.26 (180deg=0.895) USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 MET CE :methyl -145:sc= -1.75 (180deg=-6.01!) USER MOD Single : A 34 GLN : amide:sc= -3.66! K(o=-3.7!,f=-0.17) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.19) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0.018) USER MOD Single : A 56 TYR OH : rot 80:sc= 0.0315 USER MOD Single : A 62 THR OG1 : rot -73:sc= 1.36 USER MOD Single : A 65 LYS NZ :NH3+ 156:sc= 1.23 (180deg=1.01) USER MOD Single : A 68 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-3.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0885 X(o=-0.089,f=-0.011) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0403 (180deg=-0.231) USER MOD Single : A 98 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.1!) USER MOD Single : A 99 THR OG1 : rot 140:sc= 1.23 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ 173:sc= -0.261 (180deg=-0.414) USER MOD Single : A 101 THR OG1 : rot -37:sc= 0.553 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.347) USER MOD Single : A 111 THR OG1 : rot 180:sc=0.000793 USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ -164:sc= -0.0754 (180deg=-0.426) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0211) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 28:sc= 1.27 USER MOD Single : A 137 SER OG : rot 170:sc= 0.0296 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN : amide:sc= -6.33! C(o=-6.3!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 12.033 -34.422 -8.663 1.00 13.25 N ATOM 2 CA MET A -11 12.391 -33.929 -7.313 1.00 13.08 C ATOM 3 C MET A -11 12.508 -32.407 -7.289 1.00 12.76 C ATOM 4 O MET A -11 12.819 -31.821 -6.254 1.00 12.82 O ATOM 5 CB MET A -11 13.702 -34.573 -6.829 1.00 13.51 C ATOM 6 CG MET A -11 14.851 -34.503 -7.830 1.00 13.65 C ATOM 7 SD MET A -11 15.487 -32.833 -8.082 1.00 14.00 S ATOM 8 CE MET A -11 16.745 -33.135 -9.322 1.00 14.47 C ATOM 0 H1 MET A -11 12.077 -35.461 -8.676 1.00 13.25 H new ATOM 0 H2 MET A -11 11.069 -34.113 -8.901 1.00 13.25 H new ATOM 0 H3 MET A -11 12.701 -34.038 -9.361 1.00 13.25 H new ATOM 0 HA MET A -11 11.588 -34.216 -6.634 1.00 13.08 H new ATOM 0 HB2 MET A -11 14.012 -34.085 -5.905 1.00 13.51 H new ATOM 0 HB3 MET A -11 13.511 -35.619 -6.588 1.00 13.51 H new ATOM 0 HG2 MET A -11 15.662 -35.144 -7.485 1.00 13.65 H new ATOM 0 HG3 MET A -11 14.514 -34.903 -8.786 1.00 13.65 H new ATOM 0 HE1 MET A -11 17.231 -32.195 -9.584 1.00 14.47 H new ATOM 0 HE2 MET A -11 17.487 -33.829 -8.926 1.00 14.47 H new ATOM 0 HE3 MET A -11 16.284 -33.565 -10.211 1.00 14.47 H new ATOM 20 N ARG A -10 12.255 -31.766 -8.427 1.00 12.64 N ATOM 21 CA ARG A -10 12.352 -30.315 -8.516 1.00 12.57 C ATOM 22 C ARG A -10 11.127 -29.659 -7.892 1.00 12.08 C ATOM 23 O ARG A -10 11.245 -28.784 -7.033 1.00 12.07 O ATOM 24 CB ARG A -10 12.503 -29.884 -9.976 1.00 13.16 C ATOM 25 CG ARG A -10 13.811 -30.330 -10.608 1.00 13.66 C ATOM 26 CD ARG A -10 13.836 -30.049 -12.103 1.00 14.28 C ATOM 27 NE ARG A -10 13.684 -28.628 -12.400 1.00 14.70 N ATOM 28 CZ ARG A -10 13.523 -28.136 -13.627 1.00 15.36 C ATOM 29 NH1 ARG A -10 13.484 -28.949 -14.673 1.00 15.68 N ATOM 30 NH2 ARG A -10 13.402 -26.827 -13.803 1.00 15.82 N ATOM 0 H ARG A -10 11.983 -32.227 -9.295 1.00 12.64 H new ATOM 0 HA ARG A -10 13.234 -29.991 -7.963 1.00 12.57 H new ATOM 0 HB2 ARG A -10 11.673 -30.290 -10.554 1.00 13.16 H new ATOM 0 HB3 ARG A -10 12.432 -28.798 -10.035 1.00 13.16 H new ATOM 0 HG2 ARG A -10 14.642 -29.815 -10.127 1.00 13.66 H new ATOM 0 HG3 ARG A -10 13.954 -31.397 -10.435 1.00 13.66 H new ATOM 0 HD2 ARG A -10 14.776 -30.408 -12.523 1.00 14.28 H new ATOM 0 HD3 ARG A -10 13.036 -30.608 -12.589 1.00 14.28 H new ATOM 0 HE ARG A -10 13.702 -27.971 -11.620 1.00 14.70 H new ATOM 0 HH11 ARG A -10 13.577 -29.956 -14.540 1.00 15.68 H new ATOM 0 HH12 ARG A -10 13.360 -28.568 -15.611 1.00 15.68 H new ATOM 0 HH21 ARG A -10 13.432 -26.199 -12.999 1.00 15.82 H new ATOM 0 HH22 ARG A -10 13.279 -26.448 -14.742 1.00 15.82 H new ATOM 44 N GLY A -9 9.954 -30.091 -8.323 1.00 11.88 N ATOM 45 CA GLY A -9 8.725 -29.597 -7.741 1.00 11.61 C ATOM 46 C GLY A -9 8.325 -30.402 -6.523 1.00 11.09 C ATOM 47 O GLY A -9 7.825 -31.519 -6.649 1.00 10.90 O ATOM 0 H GLY A -9 9.830 -30.777 -9.068 1.00 11.88 H new ATOM 0 HA2 GLY A -9 8.848 -28.550 -7.462 1.00 11.61 H new ATOM 0 HA3 GLY A -9 7.928 -29.638 -8.483 1.00 11.61 H new ATOM 51 N SER A -8 8.561 -29.841 -5.346 1.00 11.06 N ATOM 52 CA SER A -8 8.224 -30.508 -4.097 1.00 10.81 C ATOM 53 C SER A -8 6.716 -30.726 -3.993 1.00 10.32 C ATOM 54 O SER A -8 5.925 -29.815 -4.252 1.00 10.27 O ATOM 55 CB SER A -8 8.716 -29.668 -2.920 1.00 11.27 C ATOM 56 OG SER A -8 10.107 -29.412 -3.028 1.00 11.68 O ATOM 0 H SER A -8 8.987 -28.921 -5.230 1.00 11.06 H new ATOM 0 HA SER A -8 8.712 -31.482 -4.075 1.00 10.81 H new ATOM 0 HB2 SER A -8 8.170 -28.725 -2.887 1.00 11.27 H new ATOM 0 HB3 SER A -8 8.509 -30.189 -1.985 1.00 11.27 H new ATOM 0 HG SER A -8 10.400 -28.871 -2.265 1.00 11.68 H new ATOM 62 N HIS A -7 6.328 -31.946 -3.627 1.00 10.19 N ATOM 63 CA HIS A -7 4.921 -32.289 -3.461 1.00 9.96 C ATOM 64 C HIS A -7 4.311 -31.472 -2.335 1.00 9.39 C ATOM 65 O HIS A -7 3.121 -31.159 -2.354 1.00 9.36 O ATOM 66 CB HIS A -7 4.745 -33.784 -3.182 1.00 10.47 C ATOM 67 CG HIS A -7 5.085 -34.656 -4.350 1.00 10.82 C ATOM 68 ND1 HIS A -7 5.648 -35.907 -4.223 1.00 11.40 N ATOM 69 CD2 HIS A -7 4.930 -34.450 -5.679 1.00 10.91 C ATOM 70 CE1 HIS A -7 5.824 -36.430 -5.423 1.00 11.79 C ATOM 71 NE2 HIS A -7 5.396 -35.567 -6.325 1.00 11.52 N ATOM 0 H HIS A -7 6.972 -32.714 -3.440 1.00 10.19 H new ATOM 0 HA HIS A -7 4.405 -32.055 -4.392 1.00 9.96 H new ATOM 0 HB2 HIS A -7 5.373 -34.063 -2.336 1.00 10.47 H new ATOM 0 HB3 HIS A -7 3.712 -33.971 -2.888 1.00 10.47 H new ATOM 0 HD2 HIS A -7 4.516 -33.568 -6.145 1.00 10.91 H new ATOM 0 HE1 HIS A -7 6.247 -37.401 -5.631 1.00 11.79 H new ATOM 0 HE2 HIS A -7 5.409 -35.707 -7.335 1.00 11.52 H new ATOM 80 N HIS A -6 5.131 -31.137 -1.348 1.00 9.18 N ATOM 81 CA HIS A -6 4.735 -30.174 -0.339 1.00 8.88 C ATOM 82 C HIS A -6 5.067 -28.782 -0.856 1.00 8.15 C ATOM 83 O HIS A -6 6.211 -28.332 -0.773 1.00 8.11 O ATOM 84 CB HIS A -6 5.434 -30.441 0.997 1.00 9.21 C ATOM 85 CG HIS A -6 4.903 -29.602 2.122 1.00 9.81 C ATOM 86 ND1 HIS A -6 5.707 -29.012 3.073 1.00 10.31 N ATOM 87 CD2 HIS A -6 3.633 -29.259 2.444 1.00 10.25 C ATOM 88 CE1 HIS A -6 4.955 -28.343 3.928 1.00 10.98 C ATOM 89 NE2 HIS A -6 3.694 -28.477 3.568 1.00 10.96 N ATOM 0 H HIS A -6 6.070 -31.518 -1.228 1.00 9.18 H new ATOM 0 HA HIS A -6 3.664 -30.260 -0.155 1.00 8.88 H new ATOM 0 HB2 HIS A -6 5.322 -31.494 1.254 1.00 9.21 H new ATOM 0 HB3 HIS A -6 6.502 -30.252 0.885 1.00 9.21 H new ATOM 0 HD2 HIS A -6 2.738 -29.548 1.913 1.00 10.25 H new ATOM 0 HE1 HIS A -6 5.313 -27.781 4.778 1.00 10.98 H new ATOM 0 HE2 HIS A -6 2.894 -28.066 4.048 1.00 10.96 H new ATOM 98 N HIS A -5 4.060 -28.126 -1.404 1.00 7.83 N ATOM 99 CA HIS A -5 4.239 -26.883 -2.143 1.00 7.37 C ATOM 100 C HIS A -5 4.743 -25.748 -1.259 1.00 7.17 C ATOM 101 O HIS A -5 3.964 -25.095 -0.561 1.00 7.21 O ATOM 102 CB HIS A -5 2.931 -26.480 -2.818 1.00 7.73 C ATOM 103 CG HIS A -5 2.417 -27.502 -3.791 1.00 8.16 C ATOM 104 ND1 HIS A -5 2.970 -27.705 -5.038 1.00 8.81 N ATOM 105 CD2 HIS A -5 1.399 -28.390 -3.690 1.00 8.33 C ATOM 106 CE1 HIS A -5 2.312 -28.667 -5.660 1.00 9.31 C ATOM 107 NE2 HIS A -5 1.358 -29.099 -4.863 1.00 9.05 N ATOM 0 H HIS A -5 3.091 -28.439 -1.351 1.00 7.83 H new ATOM 0 HA HIS A -5 5.002 -27.066 -2.900 1.00 7.37 H new ATOM 0 HB2 HIS A -5 2.175 -26.307 -2.052 1.00 7.73 H new ATOM 0 HB3 HIS A -5 3.078 -25.535 -3.340 1.00 7.73 H new ATOM 0 HD2 HIS A -5 0.741 -28.516 -2.843 1.00 8.33 H new ATOM 0 HE1 HIS A -5 2.521 -29.036 -6.653 1.00 9.31 H new ATOM 0 HE2 HIS A -5 0.695 -29.842 -5.083 1.00 9.05 H new ATOM 116 N HIS A -4 6.053 -25.530 -1.286 1.00 7.32 N ATOM 117 CA HIS A -4 6.653 -24.382 -0.613 1.00 7.52 C ATOM 118 C HIS A -4 6.465 -23.160 -1.491 1.00 6.89 C ATOM 119 O HIS A -4 6.248 -22.048 -1.014 1.00 6.96 O ATOM 120 CB HIS A -4 8.150 -24.602 -0.362 1.00 8.42 C ATOM 121 CG HIS A -4 8.471 -25.833 0.425 1.00 9.12 C ATOM 122 ND1 HIS A -4 9.378 -26.775 -0.001 1.00 9.86 N ATOM 123 CD2 HIS A -4 8.016 -26.267 1.622 1.00 9.44 C ATOM 124 CE1 HIS A -4 9.465 -27.736 0.896 1.00 10.54 C ATOM 125 NE2 HIS A -4 8.650 -27.453 1.896 1.00 10.32 N ATOM 0 H HIS A -4 6.721 -26.133 -1.767 1.00 7.32 H new ATOM 0 HA HIS A -4 6.167 -24.245 0.353 1.00 7.52 H new ATOM 0 HB2 HIS A -4 8.663 -24.656 -1.322 1.00 8.42 H new ATOM 0 HB3 HIS A -4 8.549 -23.735 0.164 1.00 8.42 H new ATOM 0 HD2 HIS A -4 7.288 -25.772 2.247 1.00 9.44 H new ATOM 0 HE1 HIS A -4 10.097 -28.609 0.825 1.00 10.54 H new ATOM 0 HE2 HIS A -4 8.514 -28.021 2.732 1.00 10.32 H new ATOM 134 N HIS A -3 6.555 -23.397 -2.788 1.00 6.56 N ATOM 135 CA HIS A -3 6.291 -22.384 -3.789 1.00 6.26 C ATOM 136 C HIS A -3 5.536 -23.022 -4.949 1.00 5.53 C ATOM 137 O HIS A -3 5.996 -24.001 -5.534 1.00 5.80 O ATOM 138 CB HIS A -3 7.598 -21.731 -4.274 1.00 7.01 C ATOM 139 CG HIS A -3 8.592 -22.691 -4.862 1.00 7.57 C ATOM 140 ND1 HIS A -3 8.656 -22.983 -6.206 1.00 8.09 N ATOM 141 CD2 HIS A -3 9.569 -23.419 -4.274 1.00 8.00 C ATOM 142 CE1 HIS A -3 9.626 -23.851 -6.420 1.00 8.73 C ATOM 143 NE2 HIS A -3 10.197 -24.132 -5.264 1.00 8.69 N ATOM 0 H HIS A -3 6.815 -24.304 -3.176 1.00 6.56 H new ATOM 0 HA HIS A -3 5.681 -21.594 -3.351 1.00 6.26 H new ATOM 0 HB2 HIS A -3 7.356 -20.975 -5.021 1.00 7.01 H new ATOM 0 HB3 HIS A -3 8.064 -21.213 -3.435 1.00 7.01 H new ATOM 0 HD2 HIS A -3 9.810 -23.436 -3.221 1.00 8.00 H new ATOM 0 HE1 HIS A -3 9.905 -24.262 -7.379 1.00 8.73 H new ATOM 0 HE2 HIS A -3 10.978 -24.774 -5.128 1.00 8.69 H new ATOM 152 N HIS A -2 4.360 -22.505 -5.249 1.00 4.92 N ATOM 153 CA HIS A -2 3.536 -23.072 -6.305 1.00 4.50 C ATOM 154 C HIS A -2 2.917 -21.956 -7.143 1.00 3.71 C ATOM 155 O HIS A -2 1.696 -21.789 -7.199 1.00 3.80 O ATOM 156 CB HIS A -2 2.467 -23.985 -5.690 1.00 4.97 C ATOM 157 CG HIS A -2 1.609 -24.699 -6.692 1.00 5.64 C ATOM 158 ND1 HIS A -2 0.256 -24.892 -6.517 1.00 6.23 N ATOM 159 CD2 HIS A -2 1.920 -25.285 -7.873 1.00 6.23 C ATOM 160 CE1 HIS A -2 -0.227 -25.563 -7.543 1.00 7.04 C ATOM 161 NE2 HIS A -2 0.763 -25.812 -8.378 1.00 7.06 N ATOM 0 H HIS A -2 3.953 -21.696 -4.780 1.00 4.92 H new ATOM 0 HA HIS A -2 4.152 -23.677 -6.970 1.00 4.50 H new ATOM 0 HB2 HIS A -2 2.959 -24.725 -5.058 1.00 4.97 H new ATOM 0 HB3 HIS A -2 1.826 -23.388 -5.042 1.00 4.97 H new ATOM 0 HD2 HIS A -2 2.898 -25.328 -8.330 1.00 6.23 H new ATOM 0 HE1 HIS A -2 -1.257 -25.858 -7.677 1.00 7.04 H new ATOM 0 HE2 HIS A -2 0.679 -26.317 -9.260 1.00 7.06 H new ATOM 170 N GLY A -1 3.780 -21.187 -7.787 1.00 3.50 N ATOM 171 CA GLY A -1 3.331 -20.085 -8.607 1.00 3.30 C ATOM 172 C GLY A -1 3.188 -18.811 -7.805 1.00 2.92 C ATOM 173 O GLY A -1 3.955 -17.864 -7.984 1.00 3.15 O ATOM 0 H GLY A -1 4.792 -21.309 -7.755 1.00 3.50 H new ATOM 0 HA2 GLY A -1 4.039 -19.925 -9.420 1.00 3.30 H new ATOM 0 HA3 GLY A -1 2.373 -20.337 -9.063 1.00 3.30 H new ATOM 177 N SER A 0 2.214 -18.797 -6.916 1.00 2.55 N ATOM 178 CA SER A 0 1.985 -17.656 -6.050 1.00 2.25 C ATOM 179 C SER A 0 2.688 -17.861 -4.718 1.00 1.76 C ATOM 180 O SER A 0 2.510 -18.888 -4.059 1.00 1.80 O ATOM 181 CB SER A 0 0.489 -17.472 -5.829 1.00 2.52 C ATOM 182 OG SER A 0 -0.210 -17.494 -7.064 1.00 3.11 O ATOM 0 H SER A 0 1.563 -19.570 -6.774 1.00 2.55 H new ATOM 0 HA SER A 0 2.389 -16.762 -6.524 1.00 2.25 H new ATOM 0 HB2 SER A 0 0.113 -18.262 -5.179 1.00 2.52 H new ATOM 0 HB3 SER A 0 0.306 -16.526 -5.319 1.00 2.52 H new ATOM 0 HG SER A 0 -0.999 -16.916 -7.003 1.00 3.11 H new ATOM 188 N LYS A 1 3.507 -16.896 -4.340 1.00 1.47 N ATOM 189 CA LYS A 1 4.199 -16.941 -3.064 1.00 1.17 C ATOM 190 C LYS A 1 3.289 -16.424 -1.962 1.00 1.02 C ATOM 191 O LYS A 1 2.865 -15.275 -1.999 1.00 1.17 O ATOM 192 CB LYS A 1 5.468 -16.101 -3.118 1.00 1.31 C ATOM 193 CG LYS A 1 6.510 -16.617 -4.094 1.00 1.65 C ATOM 194 CD LYS A 1 7.785 -15.796 -4.017 1.00 2.03 C ATOM 195 CE LYS A 1 8.862 -16.336 -4.944 1.00 2.38 C ATOM 196 NZ LYS A 1 9.223 -17.742 -4.625 1.00 2.99 N ATOM 0 H LYS A 1 3.710 -16.068 -4.901 1.00 1.47 H new ATOM 0 HA LYS A 1 4.470 -17.975 -2.852 1.00 1.17 H new ATOM 0 HB2 LYS A 1 5.204 -15.079 -3.391 1.00 1.31 H new ATOM 0 HB3 LYS A 1 5.907 -16.061 -2.121 1.00 1.31 H new ATOM 0 HG2 LYS A 1 6.732 -17.661 -3.875 1.00 1.65 H new ATOM 0 HG3 LYS A 1 6.112 -16.582 -5.108 1.00 1.65 H new ATOM 0 HD2 LYS A 1 7.567 -14.761 -4.278 1.00 2.03 H new ATOM 0 HD3 LYS A 1 8.155 -15.795 -2.992 1.00 2.03 H new ATOM 0 HE2 LYS A 1 8.515 -16.277 -5.975 1.00 2.38 H new ATOM 0 HE3 LYS A 1 9.750 -15.709 -4.870 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 10.117 -17.986 -5.097 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 9.334 -17.847 -3.596 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 8.471 -18.378 -4.958 1.00 2.99 H new ATOM 210 N THR A 2 3.014 -17.266 -0.982 1.00 0.86 N ATOM 211 CA THR A 2 2.105 -16.916 0.096 1.00 0.81 C ATOM 212 C THR A 2 2.670 -15.744 0.898 1.00 0.66 C ATOM 213 O THR A 2 3.885 -15.650 1.096 1.00 0.64 O ATOM 214 CB THR A 2 1.872 -18.129 1.013 1.00 0.86 C ATOM 215 OG1 THR A 2 1.543 -19.272 0.212 1.00 0.99 O ATOM 216 CG2 THR A 2 0.747 -17.863 2.004 1.00 0.92 C ATOM 0 H THR A 2 3.410 -18.203 -0.910 1.00 0.86 H new ATOM 0 HA THR A 2 1.148 -16.618 -0.333 1.00 0.81 H new ATOM 0 HB THR A 2 2.786 -18.315 1.577 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.396 -20.047 0.793 1.00 0.99 H new ATOM 0 HG21 THR A 2 0.606 -18.738 2.638 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.003 -17.004 2.624 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.175 -17.656 1.461 1.00 0.92 H new ATOM 224 N LEU A 3 1.783 -14.854 1.343 1.00 0.59 N ATOM 225 CA LEU A 3 2.179 -13.610 1.988 1.00 0.50 C ATOM 226 C LEU A 3 2.996 -13.874 3.250 1.00 0.49 C ATOM 227 O LEU A 3 2.500 -14.482 4.204 1.00 0.53 O ATOM 228 CB LEU A 3 0.940 -12.797 2.364 1.00 0.49 C ATOM 229 CG LEU A 3 0.993 -11.293 2.071 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.053 -10.555 2.990 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.392 -10.737 2.220 1.00 0.49 C ATOM 0 H LEU A 3 0.774 -14.978 1.265 1.00 0.59 H new ATOM 0 HA LEU A 3 2.794 -13.053 1.281 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.084 -13.217 1.837 1.00 0.49 H new ATOM 0 HB3 LEU A 3 0.755 -12.930 3.430 1.00 0.49 H new ATOM 0 HG LEU A 3 0.686 -11.150 1.035 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.097 -9.487 2.775 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.964 -10.915 2.835 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.345 -10.729 4.026 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.384 -9.669 2.003 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.741 -10.898 3.240 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.061 -11.243 1.524 1.00 0.49 H new ATOM 243 N PRO A 4 4.260 -13.428 3.256 1.00 0.50 N ATOM 244 CA PRO A 4 5.118 -13.485 4.437 1.00 0.54 C ATOM 245 C PRO A 4 4.498 -12.738 5.612 1.00 0.47 C ATOM 246 O PRO A 4 4.087 -11.582 5.482 1.00 0.42 O ATOM 247 CB PRO A 4 6.405 -12.781 3.990 1.00 0.60 C ATOM 248 CG PRO A 4 6.391 -12.847 2.503 1.00 0.61 C ATOM 249 CD PRO A 4 4.945 -12.834 2.100 1.00 0.52 C ATOM 0 HA PRO A 4 5.278 -14.508 4.778 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.430 -11.748 4.338 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.286 -13.276 4.398 1.00 0.60 H new ATOM 0 HG2 PRO A 4 6.924 -12.000 2.070 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.886 -13.751 2.148 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.593 -11.822 1.902 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.776 -13.414 1.192 1.00 0.52 H new ATOM 257 N ASP A 5 4.431 -13.414 6.754 1.00 0.51 N ATOM 258 CA ASP A 5 3.853 -12.853 7.976 1.00 0.51 C ATOM 259 C ASP A 5 4.507 -11.529 8.359 1.00 0.45 C ATOM 260 O ASP A 5 3.898 -10.697 9.028 1.00 0.44 O ATOM 261 CB ASP A 5 4.004 -13.852 9.122 1.00 0.63 C ATOM 262 CG ASP A 5 3.387 -13.361 10.415 1.00 1.50 C ATOM 263 OD1 ASP A 5 2.161 -13.518 10.588 1.00 2.09 O ATOM 264 OD2 ASP A 5 4.131 -12.842 11.277 1.00 2.19 O ATOM 0 H ASP A 5 4.776 -14.368 6.861 1.00 0.51 H new ATOM 0 HA ASP A 5 2.797 -12.659 7.786 1.00 0.51 H new ATOM 0 HB2 ASP A 5 3.539 -14.796 8.838 1.00 0.63 H new ATOM 0 HB3 ASP A 5 5.063 -14.054 9.284 1.00 0.63 H new ATOM 269 N LYS A 6 5.752 -11.344 7.936 1.00 0.45 N ATOM 270 CA LYS A 6 6.490 -10.112 8.197 1.00 0.45 C ATOM 271 C LYS A 6 5.788 -8.879 7.624 1.00 0.38 C ATOM 272 O LYS A 6 6.061 -7.758 8.046 1.00 0.42 O ATOM 273 CB LYS A 6 7.898 -10.218 7.619 1.00 0.56 C ATOM 274 CG LYS A 6 8.733 -11.321 8.249 1.00 1.10 C ATOM 275 CD LYS A 6 10.099 -11.437 7.592 1.00 1.64 C ATOM 276 CE LYS A 6 10.895 -10.147 7.716 1.00 2.01 C ATOM 277 NZ LYS A 6 12.234 -10.252 7.086 1.00 2.53 N ATOM 0 H LYS A 6 6.277 -12.039 7.405 1.00 0.45 H new ATOM 0 HA LYS A 6 6.538 -9.987 9.279 1.00 0.45 H new ATOM 0 HB2 LYS A 6 7.829 -10.394 6.546 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.410 -9.265 7.753 1.00 0.56 H new ATOM 0 HG2 LYS A 6 8.857 -11.121 9.313 1.00 1.10 H new ATOM 0 HG3 LYS A 6 8.206 -12.271 8.163 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.656 -12.254 8.052 1.00 1.64 H new ATOM 0 HD3 LYS A 6 9.976 -11.689 6.539 1.00 1.64 H new ATOM 0 HE2 LYS A 6 10.339 -9.333 7.251 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.010 -9.893 8.770 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 12.741 -9.350 7.195 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 12.776 -11.011 7.546 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 12.126 -10.468 6.075 1.00 2.53 H new ATOM 291 N PHE A 7 4.891 -9.074 6.666 1.00 0.36 N ATOM 292 CA PHE A 7 4.175 -7.955 6.068 1.00 0.35 C ATOM 293 C PHE A 7 2.814 -7.750 6.724 1.00 0.32 C ATOM 294 O PHE A 7 2.038 -6.907 6.289 1.00 0.35 O ATOM 295 CB PHE A 7 3.985 -8.170 4.561 1.00 0.39 C ATOM 296 CG PHE A 7 5.253 -8.058 3.762 1.00 0.42 C ATOM 297 CD1 PHE A 7 5.976 -6.874 3.735 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.725 -9.142 3.042 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.143 -6.778 3.005 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.891 -9.050 2.309 1.00 0.54 C ATOM 301 CZ PHE A 7 7.592 -7.836 2.282 1.00 0.57 C ATOM 0 H PHE A 7 4.643 -9.989 6.289 1.00 0.36 H new ATOM 0 HA PHE A 7 4.780 -7.063 6.231 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.551 -9.156 4.397 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.267 -7.440 4.188 1.00 0.39 H new ATOM 0 HD1 PHE A 7 5.622 -6.019 4.291 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.174 -10.071 3.054 1.00 0.48 H new ATOM 0 HE1 PHE A 7 7.703 -5.855 3.009 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.260 -9.905 1.762 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.488 -7.743 1.687 1.00 0.57 H new ATOM 311 N LEU A 8 2.533 -8.503 7.779 1.00 0.30 N ATOM 312 CA LEU A 8 1.220 -8.465 8.404 1.00 0.29 C ATOM 313 C LEU A 8 1.214 -7.590 9.655 1.00 0.29 C ATOM 314 O LEU A 8 2.185 -7.560 10.416 1.00 0.33 O ATOM 315 CB LEU A 8 0.769 -9.883 8.740 1.00 0.34 C ATOM 316 CG LEU A 8 0.613 -10.800 7.526 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.239 -12.206 7.951 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.423 -10.236 6.570 1.00 0.35 C ATOM 0 H LEU A 8 3.194 -9.144 8.218 1.00 0.30 H new ATOM 0 HA LEU A 8 0.520 -8.021 7.696 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.490 -10.328 9.426 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.184 -9.833 9.267 1.00 0.34 H new ATOM 0 HG LEU A 8 1.572 -10.850 7.011 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.134 -12.837 7.069 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.019 -12.611 8.596 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.706 -12.183 8.494 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.524 -10.899 5.710 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.383 -10.155 7.080 1.00 0.35 H new ATOM 0 HD23 LEU A 8 -0.107 -9.249 6.232 1.00 0.35 H new ATOM 330 N GLY A 9 0.109 -6.887 9.855 1.00 0.32 N ATOM 331 CA GLY A 9 -0.037 -6.018 11.005 1.00 0.33 C ATOM 332 C GLY A 9 -0.541 -4.639 10.631 1.00 0.31 C ATOM 333 O GLY A 9 -0.792 -4.360 9.460 1.00 0.52 O ATOM 0 H GLY A 9 -0.699 -6.904 9.233 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.728 -6.473 11.715 1.00 0.33 H new ATOM 0 HA3 GLY A 9 0.924 -5.925 11.510 1.00 0.33 H new ATOM 337 N THR A 10 -0.696 -3.782 11.630 1.00 0.34 N ATOM 338 CA THR A 10 -1.123 -2.413 11.411 1.00 0.35 C ATOM 339 C THR A 10 0.057 -1.458 11.589 1.00 0.32 C ATOM 340 O THR A 10 0.703 -1.443 12.636 1.00 0.40 O ATOM 341 CB THR A 10 -2.255 -2.036 12.386 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.383 -2.899 12.181 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.679 -0.592 12.197 1.00 0.99 C ATOM 0 H THR A 10 -0.530 -4.017 12.609 1.00 0.34 H new ATOM 0 HA THR A 10 -1.499 -2.329 10.391 1.00 0.35 H new ATOM 0 HB THR A 10 -1.881 -2.156 13.403 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.207 -3.493 11.422 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.479 -0.353 12.898 1.00 0.99 H new ATOM 0 HG22 THR A 10 -1.828 0.064 12.380 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.035 -0.448 11.177 1.00 0.99 H new ATOM 351 N PHE A 11 0.342 -0.685 10.554 1.00 0.27 N ATOM 352 CA PHE A 11 1.484 0.218 10.549 1.00 0.27 C ATOM 353 C PHE A 11 1.030 1.668 10.383 1.00 0.28 C ATOM 354 O PHE A 11 0.189 1.954 9.529 1.00 0.32 O ATOM 355 CB PHE A 11 2.429 -0.150 9.396 1.00 0.31 C ATOM 356 CG PHE A 11 2.921 -1.573 9.426 1.00 0.33 C ATOM 357 CD1 PHE A 11 4.075 -1.908 10.114 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.222 -2.575 8.770 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.525 -3.215 10.146 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.669 -3.883 8.799 1.00 0.43 C ATOM 361 CZ PHE A 11 3.834 -4.199 9.470 1.00 0.44 C ATOM 0 H PHE A 11 -0.209 -0.665 9.696 1.00 0.27 H new ATOM 0 HA PHE A 11 2.003 0.119 11.502 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.915 0.024 8.451 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.289 0.520 9.419 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.630 -1.140 10.632 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.319 -2.331 8.231 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.417 -3.465 10.700 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.107 -4.657 8.297 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.203 -5.214 9.465 1.00 0.44 H new ATOM 371 N LYS A 12 1.568 2.591 11.188 1.00 0.29 N ATOM 372 CA LYS A 12 1.265 4.003 10.984 1.00 0.33 C ATOM 373 C LYS A 12 2.367 4.690 10.173 1.00 0.27 C ATOM 374 O LYS A 12 3.560 4.482 10.412 1.00 0.69 O ATOM 375 CB LYS A 12 1.031 4.724 12.323 1.00 0.48 C ATOM 376 CG LYS A 12 2.196 4.680 13.308 1.00 0.78 C ATOM 377 CD LYS A 12 3.198 5.808 13.084 1.00 1.28 C ATOM 378 CE LYS A 12 2.595 7.180 13.357 1.00 1.72 C ATOM 379 NZ LYS A 12 2.161 7.330 14.772 1.00 2.19 N ATOM 0 H LYS A 12 2.198 2.390 11.965 1.00 0.29 H new ATOM 0 HA LYS A 12 0.340 4.064 10.411 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.792 5.767 12.117 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.156 4.286 12.803 1.00 0.48 H new ATOM 0 HG2 LYS A 12 1.809 4.740 14.325 1.00 0.78 H new ATOM 0 HG3 LYS A 12 2.707 3.722 13.217 1.00 0.78 H new ATOM 0 HD2 LYS A 12 4.062 5.658 13.732 1.00 1.28 H new ATOM 0 HD3 LYS A 12 3.560 5.771 12.057 1.00 1.28 H new ATOM 0 HE2 LYS A 12 3.328 7.951 13.120 1.00 1.72 H new ATOM 0 HE3 LYS A 12 1.741 7.338 12.698 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 1.965 8.332 14.971 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 1.299 6.770 14.932 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.915 6.993 15.404 1.00 2.19 H new ATOM 393 N LEU A 13 1.952 5.469 9.178 1.00 0.60 N ATOM 394 CA LEU A 13 2.878 6.282 8.394 1.00 0.50 C ATOM 395 C LEU A 13 3.621 7.266 9.282 1.00 0.46 C ATOM 396 O LEU A 13 3.008 7.992 10.067 1.00 0.52 O ATOM 397 CB LEU A 13 2.120 7.056 7.313 1.00 0.52 C ATOM 398 CG LEU A 13 2.965 8.035 6.492 1.00 0.55 C ATOM 399 CD1 LEU A 13 3.966 7.291 5.624 1.00 1.14 C ATOM 400 CD2 LEU A 13 2.074 8.925 5.643 1.00 1.04 C ATOM 0 H LEU A 13 0.976 5.555 8.894 1.00 0.60 H new ATOM 0 HA LEU A 13 3.599 5.611 7.927 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.660 6.340 6.632 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.310 7.610 7.787 1.00 0.52 H new ATOM 0 HG LEU A 13 3.523 8.666 7.183 1.00 0.55 H new ATOM 0 HD11 LEU A 13 4.554 8.008 5.051 1.00 1.14 H new ATOM 0 HD12 LEU A 13 4.629 6.702 6.257 1.00 1.14 H new ATOM 0 HD13 LEU A 13 3.434 6.629 4.941 1.00 1.14 H new ATOM 0 HD21 LEU A 13 2.691 9.614 5.067 1.00 1.04 H new ATOM 0 HD22 LEU A 13 1.486 8.309 4.963 1.00 1.04 H new ATOM 0 HD23 LEU A 13 1.404 9.492 6.289 1.00 1.04 H new ATOM 412 N GLU A 14 4.938 7.282 9.162 1.00 0.45 N ATOM 413 CA GLU A 14 5.751 8.218 9.913 1.00 0.48 C ATOM 414 C GLU A 14 6.242 9.343 9.011 1.00 0.45 C ATOM 415 O GLU A 14 6.071 10.521 9.325 1.00 0.49 O ATOM 416 CB GLU A 14 6.942 7.506 10.551 1.00 0.55 C ATOM 417 CG GLU A 14 7.808 8.429 11.388 1.00 0.67 C ATOM 418 CD GLU A 14 9.035 7.744 11.939 1.00 1.17 C ATOM 419 OE1 GLU A 14 10.112 7.864 11.325 1.00 2.08 O ATOM 420 OE2 GLU A 14 8.932 7.095 12.999 1.00 1.56 O ATOM 0 H GLU A 14 5.465 6.657 8.552 1.00 0.45 H new ATOM 0 HA GLU A 14 5.133 8.644 10.703 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.578 6.692 11.178 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.552 7.057 9.767 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.115 9.280 10.781 1.00 0.67 H new ATOM 0 HG3 GLU A 14 7.217 8.824 12.214 1.00 0.67 H new ATOM 427 N ARG A 15 6.826 8.981 7.876 1.00 0.42 N ATOM 428 CA ARG A 15 7.456 9.954 6.998 1.00 0.44 C ATOM 429 C ARG A 15 7.484 9.440 5.561 1.00 0.37 C ATOM 430 O ARG A 15 7.019 8.335 5.280 1.00 0.38 O ATOM 431 CB ARG A 15 8.883 10.211 7.474 1.00 0.51 C ATOM 432 CG ARG A 15 9.771 8.992 7.329 1.00 0.53 C ATOM 433 CD ARG A 15 11.163 9.244 7.868 1.00 0.77 C ATOM 434 NE ARG A 15 11.186 9.325 9.328 1.00 1.68 N ATOM 435 CZ ARG A 15 11.997 10.118 10.021 1.00 2.34 C ATOM 436 NH1 ARG A 15 12.816 10.953 9.393 1.00 2.45 N ATOM 437 NH2 ARG A 15 11.983 10.072 11.347 1.00 3.36 N ATOM 0 H ARG A 15 6.876 8.018 7.543 1.00 0.42 H new ATOM 0 HA ARG A 15 6.881 10.880 7.026 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.309 11.037 6.905 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.864 10.520 8.519 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.323 8.151 7.858 1.00 0.53 H new ATOM 0 HG3 ARG A 15 9.834 8.711 6.278 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.828 8.445 7.540 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.550 10.173 7.449 1.00 0.77 H new ATOM 0 HE ARG A 15 10.537 8.734 9.848 1.00 1.68 H new ATOM 0 HH11 ARG A 15 12.825 10.988 8.374 1.00 2.45 H new ATOM 0 HH12 ARG A 15 13.436 11.559 9.930 1.00 2.45 H new ATOM 0 HH21 ARG A 15 11.353 9.431 11.828 1.00 3.36 H new ATOM 0 HH22 ARG A 15 12.603 10.678 11.885 1.00 3.36 H new ATOM 451 N ASP A 16 8.053 10.229 4.662 1.00 0.38 N ATOM 452 CA ASP A 16 8.163 9.845 3.262 1.00 0.43 C ATOM 453 C ASP A 16 9.417 10.439 2.638 1.00 0.39 C ATOM 454 O ASP A 16 10.145 11.191 3.285 1.00 0.52 O ATOM 455 CB ASP A 16 6.929 10.288 2.471 1.00 0.66 C ATOM 456 CG ASP A 16 6.784 11.797 2.390 1.00 0.68 C ATOM 457 OD1 ASP A 16 5.949 12.358 3.133 1.00 1.19 O ATOM 458 OD2 ASP A 16 7.499 12.429 1.583 1.00 0.72 O ATOM 0 H ASP A 16 8.448 11.144 4.878 1.00 0.38 H new ATOM 0 HA ASP A 16 8.229 8.758 3.222 1.00 0.43 H new ATOM 0 HB2 ASP A 16 6.986 9.880 1.462 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.037 9.868 2.935 1.00 0.66 H new ATOM 463 N GLU A 17 9.658 10.102 1.380 1.00 0.36 N ATOM 464 CA GLU A 17 10.835 10.576 0.669 1.00 0.38 C ATOM 465 C GLU A 17 10.530 10.736 -0.817 1.00 0.40 C ATOM 466 O GLU A 17 10.259 9.749 -1.491 1.00 0.83 O ATOM 467 CB GLU A 17 11.984 9.581 0.851 1.00 0.48 C ATOM 468 CG GLU A 17 13.294 10.040 0.236 1.00 1.18 C ATOM 469 CD GLU A 17 14.290 8.913 0.081 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.287 8.247 -0.974 1.00 2.66 O ATOM 471 OE2 GLU A 17 15.074 8.677 1.024 1.00 2.13 O ATOM 0 H GLU A 17 9.049 9.498 0.828 1.00 0.36 H new ATOM 0 HA GLU A 17 11.123 11.545 1.077 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.135 9.405 1.916 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.700 8.627 0.408 1.00 0.48 H new ATOM 0 HG2 GLU A 17 13.097 10.483 -0.740 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.729 10.822 0.859 1.00 1.18 H new ATOM 478 N ASN A 18 10.553 11.982 -1.309 1.00 0.34 N ATOM 479 CA ASN A 18 10.378 12.278 -2.743 1.00 0.30 C ATOM 480 C ASN A 18 8.923 12.057 -3.184 1.00 0.28 C ATOM 481 O ASN A 18 8.630 11.846 -4.368 1.00 0.27 O ATOM 482 CB ASN A 18 11.331 11.414 -3.586 1.00 0.32 C ATOM 483 CG ASN A 18 11.655 12.020 -4.939 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.735 13.238 -5.083 1.00 0.76 O ATOM 485 ND2 ASN A 18 11.849 11.173 -5.936 1.00 0.66 N ATOM 0 H ASN A 18 10.692 12.811 -0.731 1.00 0.34 H new ATOM 0 HA ASN A 18 10.620 13.329 -2.902 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.258 11.262 -3.033 1.00 0.32 H new ATOM 0 HB3 ASN A 18 10.884 10.431 -3.734 1.00 0.32 H new ATOM 0 HD21 ASN A 18 12.074 11.524 -6.867 1.00 0.66 H new ATOM 0 HD22 ASN A 18 11.773 10.169 -5.774 1.00 0.66 H new ATOM 492 N PHE A 19 8.011 12.154 -2.224 1.00 0.30 N ATOM 493 CA PHE A 19 6.602 11.865 -2.473 1.00 0.31 C ATOM 494 C PHE A 19 5.964 12.990 -3.282 1.00 0.31 C ATOM 495 O PHE A 19 5.126 12.744 -4.149 1.00 0.32 O ATOM 496 CB PHE A 19 5.859 11.659 -1.148 1.00 0.37 C ATOM 497 CG PHE A 19 4.467 11.105 -1.292 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.229 9.998 -2.089 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.396 11.698 -0.642 1.00 0.45 C ATOM 500 CE1 PHE A 19 2.951 9.493 -2.238 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.115 11.198 -0.784 1.00 0.48 C ATOM 502 CZ PHE A 19 1.894 10.066 -1.532 1.00 0.44 C ATOM 0 H PHE A 19 8.221 12.431 -1.265 1.00 0.30 H new ATOM 0 HA PHE A 19 6.530 10.945 -3.053 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.442 10.985 -0.520 1.00 0.37 H new ATOM 0 HB3 PHE A 19 5.804 12.614 -0.625 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.053 9.523 -2.601 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.564 12.562 -0.016 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.772 8.658 -2.899 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.286 11.698 -0.306 1.00 0.48 H new ATOM 0 HZ PHE A 19 0.909 9.624 -1.572 1.00 0.44 H new ATOM 512 N ASP A 20 6.365 14.224 -2.989 1.00 0.33 N ATOM 513 CA ASP A 20 5.915 15.393 -3.743 1.00 0.37 C ATOM 514 C ASP A 20 6.131 15.204 -5.241 1.00 0.33 C ATOM 515 O ASP A 20 5.188 15.287 -6.032 1.00 0.33 O ATOM 516 CB ASP A 20 6.670 16.636 -3.266 1.00 0.46 C ATOM 517 CG ASP A 20 6.239 17.893 -3.990 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.840 18.225 -5.029 1.00 1.22 O ATOM 519 OD2 ASP A 20 5.304 18.566 -3.507 1.00 2.04 O ATOM 0 H ASP A 20 7.007 14.442 -2.227 1.00 0.33 H new ATOM 0 HA ASP A 20 4.847 15.519 -3.568 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.510 16.765 -2.196 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.740 16.485 -3.413 1.00 0.46 H new ATOM 524 N GLU A 21 7.382 14.956 -5.618 1.00 0.34 N ATOM 525 CA GLU A 21 7.740 14.708 -7.011 1.00 0.35 C ATOM 526 C GLU A 21 6.871 13.607 -7.608 1.00 0.31 C ATOM 527 O GLU A 21 6.410 13.722 -8.747 1.00 0.34 O ATOM 528 CB GLU A 21 9.211 14.309 -7.120 1.00 0.41 C ATOM 529 CG GLU A 21 10.175 15.329 -6.547 1.00 0.51 C ATOM 530 CD GLU A 21 10.171 16.639 -7.302 1.00 1.14 C ATOM 531 OE1 GLU A 21 10.602 16.654 -8.473 1.00 1.65 O ATOM 532 OE2 GLU A 21 9.757 17.663 -6.727 1.00 1.79 O ATOM 0 H GLU A 21 8.171 14.921 -4.972 1.00 0.34 H new ATOM 0 HA GLU A 21 7.573 15.630 -7.568 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.357 13.359 -6.606 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.455 14.145 -8.170 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.918 15.517 -5.504 1.00 0.51 H new ATOM 0 HG3 GLU A 21 11.183 14.914 -6.558 1.00 0.51 H new ATOM 539 N TYR A 22 6.648 12.546 -6.834 1.00 0.29 N ATOM 540 CA TYR A 22 5.797 11.444 -7.271 1.00 0.28 C ATOM 541 C TYR A 22 4.383 11.931 -7.597 1.00 0.30 C ATOM 542 O TYR A 22 3.787 11.509 -8.588 1.00 0.33 O ATOM 543 CB TYR A 22 5.744 10.358 -6.195 1.00 0.30 C ATOM 544 CG TYR A 22 4.813 9.211 -6.525 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.537 9.149 -5.982 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.214 8.192 -7.380 1.00 0.38 C ATOM 547 CE1 TYR A 22 2.685 8.104 -6.283 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.369 7.144 -7.685 1.00 0.44 C ATOM 549 CZ TYR A 22 3.100 7.107 -7.127 1.00 0.50 C ATOM 550 OH TYR A 22 2.259 6.065 -7.441 1.00 0.57 O ATOM 0 H TYR A 22 7.045 12.428 -5.902 1.00 0.29 H new ATOM 0 HA TYR A 22 6.229 11.026 -8.180 1.00 0.28 H new ATOM 0 HB2 TYR A 22 6.749 9.964 -6.040 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.430 10.808 -5.253 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.205 9.930 -5.314 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.203 8.220 -7.813 1.00 0.38 H new ATOM 0 HE1 TYR A 22 1.694 8.073 -5.854 1.00 0.48 H new ATOM 0 HE2 TYR A 22 4.693 6.359 -8.353 1.00 0.44 H new ATOM 0 HH TYR A 22 1.331 6.380 -7.433 1.00 0.57 H new ATOM 560 N LEU A 23 3.861 12.833 -6.771 1.00 0.28 N ATOM 561 CA LEU A 23 2.507 13.351 -6.956 1.00 0.30 C ATOM 562 C LEU A 23 2.388 14.091 -8.279 1.00 0.34 C ATOM 563 O LEU A 23 1.426 13.906 -9.026 1.00 0.37 O ATOM 564 CB LEU A 23 2.125 14.276 -5.797 1.00 0.30 C ATOM 565 CG LEU A 23 2.105 13.611 -4.422 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.790 14.627 -3.335 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.094 12.478 -4.402 1.00 0.32 C ATOM 0 H LEU A 23 4.354 13.221 -5.967 1.00 0.28 H new ATOM 0 HA LEU A 23 1.819 12.505 -6.971 1.00 0.30 H new ATOM 0 HB2 LEU A 23 2.826 15.110 -5.771 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.139 14.695 -5.996 1.00 0.30 H new ATOM 0 HG LEU A 23 3.095 13.200 -4.224 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.781 14.131 -2.365 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.550 15.408 -3.336 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.813 15.071 -3.524 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.089 12.012 -3.417 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.102 12.872 -4.622 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.364 11.736 -5.153 1.00 0.32 H new ATOM 579 N LYS A 24 3.384 14.912 -8.573 1.00 0.34 N ATOM 580 CA LYS A 24 3.403 15.680 -9.811 1.00 0.39 C ATOM 581 C LYS A 24 3.556 14.756 -11.016 1.00 0.40 C ATOM 582 O LYS A 24 2.910 14.951 -12.045 1.00 0.44 O ATOM 583 CB LYS A 24 4.540 16.701 -9.775 1.00 0.41 C ATOM 584 CG LYS A 24 4.365 17.757 -8.697 1.00 0.45 C ATOM 585 CD LYS A 24 5.536 18.727 -8.660 1.00 0.55 C ATOM 586 CE LYS A 24 6.814 18.051 -8.203 1.00 1.35 C ATOM 587 NZ LYS A 24 7.943 19.012 -8.113 1.00 1.88 N ATOM 0 H LYS A 24 4.193 15.065 -7.970 1.00 0.34 H new ATOM 0 HA LYS A 24 2.455 16.210 -9.906 1.00 0.39 H new ATOM 0 HB2 LYS A 24 5.483 16.179 -9.613 1.00 0.41 H new ATOM 0 HB3 LYS A 24 4.610 17.191 -10.746 1.00 0.41 H new ATOM 0 HG2 LYS A 24 3.442 18.309 -8.875 1.00 0.45 H new ATOM 0 HG3 LYS A 24 4.264 17.272 -7.726 1.00 0.45 H new ATOM 0 HD2 LYS A 24 5.685 19.154 -9.652 1.00 0.55 H new ATOM 0 HD3 LYS A 24 5.302 19.553 -7.989 1.00 0.55 H new ATOM 0 HE2 LYS A 24 6.652 17.588 -7.230 1.00 1.35 H new ATOM 0 HE3 LYS A 24 7.071 17.252 -8.898 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 8.620 18.686 -7.394 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.420 19.074 -9.035 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 7.580 19.950 -7.847 1.00 1.88 H new ATOM 601 N ALA A 25 4.408 13.748 -10.866 1.00 0.40 N ATOM 602 CA ALA A 25 4.630 12.760 -11.917 1.00 0.43 C ATOM 603 C ALA A 25 3.351 11.983 -12.223 1.00 0.43 C ATOM 604 O ALA A 25 3.034 11.708 -13.382 1.00 0.44 O ATOM 605 CB ALA A 25 5.747 11.809 -11.517 1.00 0.43 C ATOM 0 H ALA A 25 4.959 13.593 -10.022 1.00 0.40 H new ATOM 0 HA ALA A 25 4.925 13.289 -12.823 1.00 0.43 H new ATOM 0 HB1 ALA A 25 5.903 11.077 -12.309 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.666 12.373 -11.359 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.474 11.294 -10.596 1.00 0.43 H new ATOM 611 N ARG A 26 2.612 11.650 -11.173 1.00 0.43 N ATOM 612 CA ARG A 26 1.363 10.906 -11.309 1.00 0.45 C ATOM 613 C ARG A 26 0.245 11.784 -11.863 1.00 0.47 C ATOM 614 O ARG A 26 -0.850 11.299 -12.156 1.00 0.51 O ATOM 615 CB ARG A 26 0.955 10.307 -9.967 1.00 0.48 C ATOM 616 CG ARG A 26 1.649 8.992 -9.662 1.00 0.85 C ATOM 617 CD ARG A 26 1.030 7.846 -10.447 1.00 0.72 C ATOM 618 NE ARG A 26 -0.294 7.498 -9.938 1.00 0.76 N ATOM 619 CZ ARG A 26 -1.375 7.307 -10.695 1.00 0.78 C ATOM 620 NH1 ARG A 26 -1.304 7.416 -12.016 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.527 6.992 -10.118 1.00 1.06 N ATOM 0 H ARG A 26 2.857 11.884 -10.211 1.00 0.43 H new ATOM 0 HA ARG A 26 1.532 10.098 -12.021 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.180 11.021 -9.175 1.00 0.48 H new ATOM 0 HB3 ARG A 26 -0.124 10.151 -9.959 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.708 9.072 -9.906 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.583 8.782 -8.594 1.00 0.85 H new ATOM 0 HD2 ARG A 26 0.955 8.124 -11.498 1.00 0.72 H new ATOM 0 HD3 ARG A 26 1.682 6.974 -10.393 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.400 7.393 -8.929 1.00 0.76 H new ATOM 0 HH11 ARG A 26 -0.416 7.648 -12.462 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -2.137 7.268 -12.585 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.580 6.898 -9.104 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -3.359 6.844 -10.689 1.00 1.06 H new ATOM 635 N GLY A 27 0.518 13.073 -11.991 1.00 0.46 N ATOM 636 CA GLY A 27 -0.430 13.966 -12.620 1.00 0.49 C ATOM 637 C GLY A 27 -1.332 14.661 -11.626 1.00 0.50 C ATOM 638 O GLY A 27 -2.313 15.298 -12.014 1.00 0.62 O ATOM 0 H GLY A 27 1.379 13.516 -11.670 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.112 14.715 -13.197 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -1.041 13.402 -13.325 1.00 0.49 H new ATOM 642 N TYR A 28 -1.005 14.554 -10.343 1.00 0.48 N ATOM 643 CA TYR A 28 -1.796 15.202 -9.314 1.00 0.53 C ATOM 644 C TYR A 28 -1.542 16.700 -9.326 1.00 0.56 C ATOM 645 O TYR A 28 -0.396 17.148 -9.232 1.00 0.54 O ATOM 646 CB TYR A 28 -1.479 14.626 -7.928 1.00 0.51 C ATOM 647 CG TYR A 28 -1.978 13.213 -7.728 1.00 0.53 C ATOM 648 CD1 TYR A 28 -1.108 12.133 -7.766 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.324 12.962 -7.506 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.566 10.841 -7.592 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.792 11.676 -7.327 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.908 10.618 -7.372 1.00 0.60 C ATOM 653 OH TYR A 28 -3.370 9.333 -7.210 1.00 0.64 O ATOM 0 H TYR A 28 -0.203 14.028 -9.996 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.848 15.015 -9.527 1.00 0.53 H new ATOM 0 HB2 TYR A 28 -0.400 14.646 -7.774 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.921 15.269 -7.167 1.00 0.51 H new ATOM 0 HD1 TYR A 28 -0.055 12.305 -7.934 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -4.019 13.788 -7.473 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -0.876 10.011 -7.628 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.843 11.499 -7.153 1.00 0.63 H new ATOM 0 HH TYR A 28 -2.666 8.780 -6.810 1.00 0.64 H new ATOM 663 N GLY A 29 -2.615 17.463 -9.465 1.00 0.68 N ATOM 664 CA GLY A 29 -2.512 18.906 -9.434 1.00 0.80 C ATOM 665 C GLY A 29 -2.447 19.422 -8.016 1.00 0.88 C ATOM 666 O GLY A 29 -2.439 18.625 -7.072 1.00 1.54 O ATOM 0 H GLY A 29 -3.561 17.106 -9.600 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -1.622 19.221 -9.979 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -3.370 19.345 -9.944 1.00 0.80 H new ATOM 670 N TRP A 30 -2.410 20.742 -7.864 1.00 0.54 N ATOM 671 CA TRP A 30 -2.286 21.367 -6.550 1.00 0.56 C ATOM 672 C TRP A 30 -3.271 20.777 -5.550 1.00 0.54 C ATOM 673 O TRP A 30 -2.892 20.447 -4.424 1.00 0.52 O ATOM 674 CB TRP A 30 -2.503 22.886 -6.640 1.00 0.65 C ATOM 675 CG TRP A 30 -2.747 23.513 -5.298 1.00 0.75 C ATOM 676 CD1 TRP A 30 -1.805 23.937 -4.407 1.00 0.84 C ATOM 677 CD2 TRP A 30 -4.021 23.759 -4.683 1.00 0.86 C ATOM 678 NE1 TRP A 30 -2.415 24.421 -3.275 1.00 0.98 N ATOM 679 CE2 TRP A 30 -3.773 24.324 -3.423 1.00 0.99 C ATOM 680 CE3 TRP A 30 -5.347 23.555 -5.077 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -4.799 24.679 -2.555 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -6.363 23.910 -4.213 1.00 1.07 C ATOM 683 CH2 TRP A 30 -6.083 24.467 -2.964 1.00 1.18 C ATOM 0 H TRP A 30 -2.464 21.403 -8.639 1.00 0.54 H new ATOM 0 HA TRP A 30 -1.273 21.167 -6.200 1.00 0.56 H new ATOM 0 HB2 TRP A 30 -1.629 23.348 -7.100 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -3.352 23.090 -7.293 1.00 0.65 H new ATOM 0 HD1 TRP A 30 -0.738 23.898 -4.568 1.00 0.84 H new ATOM 0 HE1 TRP A 30 -1.934 24.793 -2.456 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -5.573 23.126 -6.042 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -4.586 25.109 -1.587 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -7.390 23.754 -4.508 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -6.899 24.735 -2.309 1.00 1.18 H new ATOM 694 N ILE A 31 -4.525 20.632 -5.981 1.00 0.60 N ATOM 695 CA ILE A 31 -5.604 20.202 -5.098 1.00 0.63 C ATOM 696 C ILE A 31 -5.212 18.945 -4.380 1.00 0.53 C ATOM 697 O ILE A 31 -5.167 18.897 -3.150 1.00 0.51 O ATOM 698 CB ILE A 31 -6.922 19.901 -5.842 1.00 0.76 C ATOM 699 CG1 ILE A 31 -7.469 21.137 -6.542 1.00 1.05 C ATOM 700 CG2 ILE A 31 -7.948 19.336 -4.880 1.00 0.69 C ATOM 701 CD1 ILE A 31 -6.710 21.475 -7.793 1.00 2.16 C ATOM 0 H ILE A 31 -4.817 20.808 -6.942 1.00 0.60 H new ATOM 0 HA ILE A 31 -5.769 21.033 -4.413 1.00 0.63 H new ATOM 0 HB ILE A 31 -6.709 19.159 -6.611 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -8.518 20.975 -6.790 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -7.430 21.985 -5.858 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -8.874 19.128 -5.416 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -7.567 18.414 -4.442 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -8.142 20.060 -4.089 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -7.142 22.364 -8.252 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -5.666 21.666 -7.545 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -6.770 20.641 -8.492 1.00 2.16 H new ATOM 713 N MET A 32 -4.915 17.929 -5.155 1.00 0.48 N ATOM 714 CA MET A 32 -4.629 16.659 -4.582 1.00 0.43 C ATOM 715 C MET A 32 -3.312 16.682 -3.840 1.00 0.38 C ATOM 716 O MET A 32 -3.208 16.125 -2.759 1.00 0.39 O ATOM 717 CB MET A 32 -4.647 15.551 -5.625 1.00 0.48 C ATOM 718 CG MET A 32 -6.041 15.258 -6.148 1.00 0.55 C ATOM 719 SD MET A 32 -7.271 15.149 -4.833 1.00 0.97 S ATOM 720 CE MET A 32 -6.439 14.050 -3.694 1.00 0.48 C ATOM 0 H MET A 32 -4.868 17.967 -6.173 1.00 0.48 H new ATOM 0 HA MET A 32 -5.420 16.443 -3.864 1.00 0.43 H new ATOM 0 HB2 MET A 32 -4.003 15.832 -6.458 1.00 0.48 H new ATOM 0 HB3 MET A 32 -4.228 14.643 -5.191 1.00 0.48 H new ATOM 0 HG2 MET A 32 -6.333 16.040 -6.849 1.00 0.55 H new ATOM 0 HG3 MET A 32 -6.026 14.321 -6.704 1.00 0.55 H new ATOM 0 HE1 MET A 32 -7.173 13.408 -3.207 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.723 13.435 -4.239 1.00 0.48 H new ATOM 0 HE3 MET A 32 -5.913 14.637 -2.941 1.00 0.48 H new ATOM 730 N ARG A 33 -2.323 17.362 -4.399 1.00 0.39 N ATOM 731 CA ARG A 33 -1.003 17.404 -3.785 1.00 0.41 C ATOM 732 C ARG A 33 -1.070 17.949 -2.365 1.00 0.45 C ATOM 733 O ARG A 33 -0.443 17.399 -1.465 1.00 0.60 O ATOM 734 CB ARG A 33 -0.029 18.232 -4.622 1.00 0.49 C ATOM 735 CG ARG A 33 0.229 17.637 -5.992 1.00 0.90 C ATOM 736 CD ARG A 33 1.339 18.363 -6.727 1.00 0.71 C ATOM 737 NE ARG A 33 1.085 19.798 -6.843 1.00 0.77 N ATOM 738 CZ ARG A 33 0.903 20.436 -7.999 1.00 0.99 C ATOM 739 NH1 ARG A 33 0.839 19.754 -9.138 1.00 1.87 N ATOM 740 NH2 ARG A 33 0.748 21.751 -8.010 1.00 1.03 N ATOM 0 H ARG A 33 -2.406 17.888 -5.269 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.635 16.379 -3.742 1.00 0.41 H new ATOM 0 HB2 ARG A 33 -0.426 19.241 -4.739 1.00 0.49 H new ATOM 0 HB3 ARG A 33 0.916 18.321 -4.087 1.00 0.49 H new ATOM 0 HG2 ARG A 33 0.492 16.585 -5.886 1.00 0.90 H new ATOM 0 HG3 ARG A 33 -0.686 17.679 -6.584 1.00 0.90 H new ATOM 0 HD2 ARG A 33 2.282 18.205 -6.203 1.00 0.71 H new ATOM 0 HD3 ARG A 33 1.452 17.935 -7.723 1.00 0.71 H new ATOM 0 HE ARG A 33 1.044 20.346 -5.984 1.00 0.77 H new ATOM 0 HH11 ARG A 33 0.929 18.738 -9.130 1.00 1.87 H new ATOM 0 HH12 ARG A 33 0.700 20.247 -10.020 1.00 1.87 H new ATOM 0 HH21 ARG A 33 0.768 22.274 -7.135 1.00 1.03 H new ATOM 0 HH22 ARG A 33 0.609 22.241 -8.894 1.00 1.03 H new ATOM 754 N GLN A 34 -1.855 18.998 -2.154 1.00 0.41 N ATOM 755 CA GLN A 34 -1.936 19.609 -0.839 1.00 0.46 C ATOM 756 C GLN A 34 -2.741 18.732 0.115 1.00 0.47 C ATOM 757 O GLN A 34 -2.431 18.651 1.299 1.00 0.58 O ATOM 758 CB GLN A 34 -2.515 21.031 -0.928 1.00 0.51 C ATOM 759 CG GLN A 34 -3.919 21.120 -1.508 1.00 0.80 C ATOM 760 CD GLN A 34 -4.995 21.300 -0.451 1.00 1.39 C ATOM 761 OE1 GLN A 34 -6.056 21.865 -0.718 1.00 1.88 O ATOM 762 NE2 GLN A 34 -4.727 20.846 0.761 1.00 1.97 N ATOM 0 H GLN A 34 -2.437 19.437 -2.868 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.926 19.693 -0.437 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -2.523 21.467 0.071 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -1.848 21.641 -1.537 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -3.963 21.955 -2.208 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -4.127 20.215 -2.078 1.00 0.80 H new ATOM 0 HE21 GLN A 34 -3.838 20.383 0.947 1.00 1.97 H new ATOM 0 HE22 GLN A 34 -5.410 20.959 1.510 1.00 1.97 H new ATOM 771 N VAL A 35 -3.767 18.066 -0.404 1.00 0.42 N ATOM 772 CA VAL A 35 -4.591 17.181 0.411 1.00 0.42 C ATOM 773 C VAL A 35 -3.818 15.919 0.781 1.00 0.40 C ATOM 774 O VAL A 35 -3.748 15.534 1.949 1.00 0.44 O ATOM 775 CB VAL A 35 -5.888 16.789 -0.333 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.650 15.712 0.422 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.769 18.009 -0.548 1.00 0.65 C ATOM 0 H VAL A 35 -4.047 18.122 -1.383 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.856 17.721 1.320 1.00 0.42 H new ATOM 0 HB VAL A 35 -5.607 16.385 -1.306 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -7.557 15.457 -0.125 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -6.024 14.825 0.521 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.916 16.081 1.413 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -7.677 17.714 -1.073 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -7.032 18.442 0.417 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -6.230 18.747 -1.142 1.00 0.65 H new ATOM 787 N ILE A 36 -3.252 15.290 -0.238 1.00 0.38 N ATOM 788 CA ILE A 36 -2.472 14.064 -0.091 1.00 0.39 C ATOM 789 C ILE A 36 -1.359 14.196 0.955 1.00 0.46 C ATOM 790 O ILE A 36 -1.123 13.273 1.741 1.00 0.51 O ATOM 791 CB ILE A 36 -1.892 13.652 -1.455 1.00 0.42 C ATOM 792 CG1 ILE A 36 -3.047 13.255 -2.378 1.00 0.47 C ATOM 793 CG2 ILE A 36 -0.911 12.512 -1.299 1.00 0.48 C ATOM 794 CD1 ILE A 36 -2.648 13.026 -3.814 1.00 0.51 C ATOM 0 H ILE A 36 -3.320 15.617 -1.202 1.00 0.38 H new ATOM 0 HA ILE A 36 -3.145 13.286 0.270 1.00 0.39 H new ATOM 0 HB ILE A 36 -1.349 14.491 -1.890 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -3.508 12.345 -1.992 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -3.807 14.036 -2.345 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.514 12.238 -2.276 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.093 12.822 -0.649 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.418 11.653 -0.859 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.527 12.749 -4.396 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -2.216 13.940 -4.222 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -1.912 12.223 -3.864 1.00 0.51 H new ATOM 806 N LYS A 37 -0.695 15.349 0.981 1.00 0.52 N ATOM 807 CA LYS A 37 0.363 15.604 1.962 1.00 0.67 C ATOM 808 C LYS A 37 -0.184 15.595 3.389 1.00 0.66 C ATOM 809 O LYS A 37 0.473 15.126 4.318 1.00 0.79 O ATOM 810 CB LYS A 37 1.019 16.964 1.712 1.00 0.91 C ATOM 811 CG LYS A 37 1.811 17.060 0.424 1.00 0.75 C ATOM 812 CD LYS A 37 2.156 18.508 0.116 1.00 0.94 C ATOM 813 CE LYS A 37 2.917 18.645 -1.193 1.00 0.70 C ATOM 814 NZ LYS A 37 4.290 18.084 -1.104 1.00 0.97 N ATOM 0 H LYS A 37 -0.868 16.121 0.337 1.00 0.52 H new ATOM 0 HA LYS A 37 1.097 14.806 1.848 1.00 0.67 H new ATOM 0 HB2 LYS A 37 0.243 17.730 1.703 1.00 0.91 H new ATOM 0 HB3 LYS A 37 1.681 17.191 2.547 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.725 16.472 0.508 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.234 16.635 -0.397 1.00 0.75 H new ATOM 0 HD2 LYS A 37 1.240 19.096 0.066 1.00 0.94 H new ATOM 0 HD3 LYS A 37 2.755 18.919 0.929 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.369 18.136 -1.985 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.973 19.698 -1.470 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.760 18.168 -2.028 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 4.834 18.609 -0.390 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.238 17.082 -0.832 1.00 0.97 H new ATOM 828 N LEU A 38 -1.396 16.114 3.553 1.00 0.63 N ATOM 829 CA LEU A 38 -1.992 16.295 4.874 1.00 0.70 C ATOM 830 C LEU A 38 -2.720 15.039 5.337 1.00 0.65 C ATOM 831 O LEU A 38 -3.204 14.968 6.467 1.00 0.91 O ATOM 832 CB LEU A 38 -2.967 17.472 4.841 1.00 0.82 C ATOM 833 CG LEU A 38 -2.340 18.820 4.489 1.00 1.08 C ATOM 834 CD1 LEU A 38 -3.420 19.818 4.121 1.00 2.08 C ATOM 835 CD2 LEU A 38 -1.502 19.341 5.649 1.00 1.61 C ATOM 0 H LEU A 38 -1.990 16.419 2.782 1.00 0.63 H new ATOM 0 HA LEU A 38 -1.188 16.498 5.581 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -3.752 17.254 4.117 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -3.446 17.555 5.816 1.00 0.82 H new ATOM 0 HG LEU A 38 -1.683 18.684 3.630 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -2.961 20.775 3.872 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -3.979 19.449 3.261 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -4.097 19.949 4.965 1.00 2.08 H new ATOM 0 HD21 LEU A 38 -1.064 20.302 5.379 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -2.135 19.465 6.528 1.00 1.61 H new ATOM 0 HD23 LEU A 38 -0.707 18.630 5.872 1.00 1.61 H new ATOM 847 N ALA A 39 -2.795 14.050 4.467 1.00 0.52 N ATOM 848 CA ALA A 39 -3.515 12.826 4.771 1.00 0.53 C ATOM 849 C ALA A 39 -2.661 11.871 5.590 1.00 0.60 C ATOM 850 O ALA A 39 -1.657 11.350 5.102 1.00 1.03 O ATOM 851 CB ALA A 39 -3.976 12.154 3.486 1.00 0.55 C ATOM 0 H ALA A 39 -2.366 14.069 3.542 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.389 13.089 5.368 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.514 11.238 3.728 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.635 12.828 2.939 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.110 11.914 2.870 1.00 0.55 H new ATOM 857 N GLY A 40 -3.044 11.666 6.844 1.00 0.43 N ATOM 858 CA GLY A 40 -2.407 10.650 7.658 1.00 0.46 C ATOM 859 C GLY A 40 -2.762 9.268 7.156 1.00 0.46 C ATOM 860 O GLY A 40 -3.919 9.011 6.820 1.00 0.84 O ATOM 0 H GLY A 40 -3.786 12.187 7.312 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.325 10.784 7.637 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -2.721 10.758 8.696 1.00 0.46 H new ATOM 864 N VAL A 41 -1.786 8.377 7.095 1.00 0.44 N ATOM 865 CA VAL A 41 -1.996 7.083 6.464 1.00 0.45 C ATOM 866 C VAL A 41 -1.730 5.932 7.422 1.00 0.36 C ATOM 867 O VAL A 41 -0.681 5.863 8.061 1.00 0.41 O ATOM 868 CB VAL A 41 -1.098 6.912 5.224 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.436 5.625 4.484 1.00 0.95 C ATOM 870 CG2 VAL A 41 -1.224 8.114 4.304 1.00 1.30 C ATOM 0 H VAL A 41 -0.849 8.523 7.471 1.00 0.44 H new ATOM 0 HA VAL A 41 -3.044 7.058 6.164 1.00 0.45 H new ATOM 0 HB VAL A 41 -0.063 6.845 5.558 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -0.789 5.526 3.612 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.284 4.773 5.147 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -2.477 5.653 4.162 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -0.582 7.975 3.434 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -2.259 8.216 3.979 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -0.921 9.014 4.838 1.00 1.30 H new ATOM 880 N THR A 42 -2.696 5.038 7.520 1.00 0.31 N ATOM 881 CA THR A 42 -2.533 3.818 8.291 1.00 0.30 C ATOM 882 C THR A 42 -2.646 2.596 7.377 1.00 0.29 C ATOM 883 O THR A 42 -3.666 2.398 6.716 1.00 0.32 O ATOM 884 CB THR A 42 -3.578 3.727 9.421 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.586 4.948 10.171 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.275 2.562 10.352 1.00 0.45 C ATOM 0 H THR A 42 -3.608 5.134 7.073 1.00 0.31 H new ATOM 0 HA THR A 42 -1.542 3.838 8.744 1.00 0.30 H new ATOM 0 HB THR A 42 -4.556 3.564 8.969 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.252 4.888 10.887 1.00 0.40 H new ATOM 0 HG21 THR A 42 -4.027 2.521 11.140 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.291 1.630 9.786 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.290 2.699 10.798 1.00 0.45 H new ATOM 894 N LYS A 43 -1.585 1.803 7.317 1.00 0.31 N ATOM 895 CA LYS A 43 -1.573 0.592 6.505 1.00 0.35 C ATOM 896 C LYS A 43 -1.890 -0.615 7.373 1.00 0.33 C ATOM 897 O LYS A 43 -1.367 -0.744 8.476 1.00 0.41 O ATOM 898 CB LYS A 43 -0.205 0.410 5.838 1.00 0.50 C ATOM 899 CG LYS A 43 0.081 1.404 4.723 1.00 0.77 C ATOM 900 CD LYS A 43 -0.729 1.092 3.472 1.00 0.53 C ATOM 901 CE LYS A 43 -0.373 2.027 2.328 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.985 1.596 1.045 1.00 0.79 N ATOM 0 H LYS A 43 -0.717 1.977 7.823 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.331 0.684 5.728 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.572 0.499 6.597 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.142 -0.600 5.434 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -0.151 2.412 5.065 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.144 1.386 4.483 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.549 0.060 3.169 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.792 1.178 3.695 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.707 3.036 2.568 1.00 0.59 H new ATOM 0 HE3 LYS A 43 0.711 2.068 2.217 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.481 2.043 0.253 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.918 0.562 0.959 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.985 1.881 1.024 1.00 0.79 H new ATOM 916 N LYS A 44 -2.748 -1.493 6.884 1.00 0.31 N ATOM 917 CA LYS A 44 -3.148 -2.662 7.655 1.00 0.35 C ATOM 918 C LYS A 44 -3.093 -3.927 6.815 1.00 0.34 C ATOM 919 O LYS A 44 -3.576 -3.952 5.689 1.00 0.47 O ATOM 920 CB LYS A 44 -4.559 -2.478 8.211 1.00 0.44 C ATOM 921 CG LYS A 44 -4.657 -1.419 9.295 1.00 0.90 C ATOM 922 CD LYS A 44 -6.096 -1.190 9.732 1.00 0.88 C ATOM 923 CE LYS A 44 -6.748 -2.473 10.229 1.00 1.39 C ATOM 924 NZ LYS A 44 -6.052 -3.045 11.410 1.00 1.96 N ATOM 0 H LYS A 44 -3.180 -1.422 5.963 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.444 -2.766 8.480 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.230 -2.212 7.394 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -4.908 -3.429 8.613 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.060 -1.723 10.155 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.235 -0.483 8.928 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.121 -0.440 10.523 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -6.670 -0.791 8.896 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -7.788 -2.272 10.486 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.755 -3.208 9.424 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -6.101 -4.083 11.373 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -5.056 -2.745 11.405 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -6.511 -2.708 12.280 1.00 1.96 H new ATOM 938 N PHE A 45 -2.473 -4.957 7.368 1.00 0.29 N ATOM 939 CA PHE A 45 -2.467 -6.283 6.772 1.00 0.29 C ATOM 940 C PHE A 45 -2.880 -7.307 7.816 1.00 0.30 C ATOM 941 O PHE A 45 -2.531 -7.170 8.990 1.00 0.37 O ATOM 942 CB PHE A 45 -1.076 -6.651 6.253 1.00 0.32 C ATOM 943 CG PHE A 45 -0.651 -5.959 4.989 1.00 0.36 C ATOM 944 CD1 PHE A 45 -0.199 -4.648 5.023 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.730 -6.605 3.765 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.167 -3.998 3.862 1.00 0.49 C ATOM 947 CE2 PHE A 45 -0.362 -5.960 2.602 1.00 0.52 C ATOM 948 CZ PHE A 45 0.181 -4.707 2.653 1.00 0.54 C ATOM 0 H PHE A 45 -1.958 -4.896 8.246 1.00 0.29 H new ATOM 0 HA PHE A 45 -3.166 -6.280 5.936 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.346 -6.427 7.031 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -1.043 -7.728 6.085 1.00 0.32 H new ATOM 0 HD1 PHE A 45 -0.133 -4.130 5.969 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -1.084 -7.625 3.721 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.440 -2.953 3.885 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.504 -6.447 1.648 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.617 -4.267 1.769 1.00 0.54 H new ATOM 958 N ARG A 46 -3.627 -8.313 7.402 1.00 0.31 N ATOM 959 CA ARG A 46 -3.973 -9.421 8.280 1.00 0.33 C ATOM 960 C ARG A 46 -4.451 -10.613 7.469 1.00 0.31 C ATOM 961 O ARG A 46 -4.729 -10.493 6.280 1.00 0.33 O ATOM 962 CB ARG A 46 -5.068 -9.021 9.278 1.00 0.39 C ATOM 963 CG ARG A 46 -6.395 -8.665 8.628 1.00 0.50 C ATOM 964 CD ARG A 46 -7.525 -8.652 9.644 1.00 0.64 C ATOM 965 NE ARG A 46 -7.820 -9.992 10.157 1.00 1.51 N ATOM 966 CZ ARG A 46 -8.347 -10.232 11.359 1.00 2.03 C ATOM 967 NH1 ARG A 46 -8.612 -9.230 12.187 1.00 1.85 N ATOM 968 NH2 ARG A 46 -8.611 -11.479 11.733 1.00 3.17 N ATOM 0 H ARG A 46 -4.009 -8.388 6.459 1.00 0.31 H new ATOM 0 HA ARG A 46 -3.074 -9.691 8.834 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.226 -9.842 9.977 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.720 -8.168 9.861 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -6.319 -7.686 8.154 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.620 -9.384 7.840 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.258 -7.997 10.474 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -8.421 -8.235 9.184 1.00 0.64 H new ATOM 0 HE ARG A 46 -7.610 -10.791 9.558 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -8.413 -8.270 11.906 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -9.015 -9.420 13.105 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -8.411 -12.254 11.101 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -9.014 -11.661 12.652 1.00 3.17 H new ATOM 982 N ASN A 47 -4.528 -11.757 8.125 1.00 0.33 N ATOM 983 CA ASN A 47 -5.110 -12.949 7.526 1.00 0.37 C ATOM 984 C ASN A 47 -6.610 -12.726 7.387 1.00 0.39 C ATOM 985 O ASN A 47 -7.238 -12.194 8.308 1.00 0.54 O ATOM 986 CB ASN A 47 -4.839 -14.170 8.406 1.00 0.50 C ATOM 987 CG ASN A 47 -5.018 -15.476 7.658 1.00 0.92 C ATOM 988 OD1 ASN A 47 -6.126 -15.998 7.546 1.00 1.85 O ATOM 989 ND2 ASN A 47 -3.921 -16.023 7.164 1.00 1.44 N ATOM 0 H ASN A 47 -4.193 -11.888 9.079 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.665 -13.131 6.548 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -3.823 -14.115 8.796 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -5.511 -14.152 9.264 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -3.974 -16.912 6.667 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.022 -15.556 7.280 1.00 1.44 H new ATOM 996 N ALA A 48 -7.191 -13.094 6.248 1.00 0.36 N ATOM 997 CA ALA A 48 -8.601 -12.808 6.005 1.00 0.41 C ATOM 998 C ALA A 48 -9.506 -13.713 6.828 1.00 0.64 C ATOM 999 O ALA A 48 -9.046 -14.651 7.478 1.00 0.87 O ATOM 1000 CB ALA A 48 -8.940 -12.948 4.532 1.00 0.49 C ATOM 0 H ALA A 48 -6.716 -13.583 5.490 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.774 -11.777 6.312 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -9.997 -12.729 4.379 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.337 -12.249 3.952 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -8.729 -13.966 4.205 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.799 -13.455 6.746 1.00 0.83 N ATOM 1007 CA ALA A 49 -11.772 -14.156 7.567 1.00 1.18 C ATOM 1008 C ALA A 49 -12.899 -14.723 6.717 1.00 1.17 C ATOM 1009 O ALA A 49 -13.675 -15.558 7.175 1.00 1.46 O ATOM 1010 CB ALA A 49 -12.324 -13.213 8.610 1.00 1.48 C ATOM 0 H ALA A 49 -11.202 -12.761 6.116 1.00 0.83 H new ATOM 0 HA ALA A 49 -11.275 -14.991 8.060 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -13.054 -13.739 9.226 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -11.511 -12.851 9.240 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.806 -12.368 8.118 1.00 1.48 H new ATOM 1016 N SER A 50 -12.987 -14.229 5.487 1.00 1.12 N ATOM 1017 CA SER A 50 -13.938 -14.733 4.496 1.00 1.50 C ATOM 1018 C SER A 50 -13.876 -16.263 4.381 1.00 1.66 C ATOM 1019 O SER A 50 -14.826 -16.903 3.926 1.00 2.19 O ATOM 1020 CB SER A 50 -13.658 -14.082 3.141 1.00 1.77 C ATOM 1021 OG SER A 50 -14.648 -14.420 2.190 1.00 2.37 O ATOM 0 H SER A 50 -12.401 -13.467 5.146 1.00 1.12 H new ATOM 0 HA SER A 50 -14.945 -14.472 4.823 1.00 1.50 H new ATOM 0 HB2 SER A 50 -13.619 -12.999 3.258 1.00 1.77 H new ATOM 0 HB3 SER A 50 -12.680 -14.399 2.779 1.00 1.77 H new ATOM 0 HG SER A 50 -15.099 -13.606 1.884 1.00 2.37 H new ATOM 1027 N GLY A 51 -12.749 -16.843 4.784 1.00 1.42 N ATOM 1028 CA GLY A 51 -12.654 -18.288 4.879 1.00 1.68 C ATOM 1029 C GLY A 51 -12.076 -18.962 3.645 1.00 1.70 C ATOM 1030 O GLY A 51 -12.106 -20.186 3.543 1.00 1.91 O ATOM 0 H GLY A 51 -11.902 -16.339 5.046 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -12.037 -18.543 5.740 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -13.648 -18.694 5.068 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.549 -18.187 2.704 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.932 -18.779 1.511 1.00 1.60 C ATOM 1036 C LYS A 52 -9.420 -18.710 1.617 1.00 1.44 C ATOM 1037 O LYS A 52 -8.850 -17.662 1.392 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.390 -18.065 0.241 1.00 1.62 C ATOM 1039 CG LYS A 52 -12.870 -18.233 -0.052 1.00 1.92 C ATOM 1040 CD LYS A 52 -13.663 -16.963 0.237 1.00 1.94 C ATOM 1041 CE LYS A 52 -13.210 -15.798 -0.639 1.00 2.59 C ATOM 1042 NZ LYS A 52 -14.072 -14.600 -0.458 1.00 3.17 N ATOM 0 H LYS A 52 -11.533 -17.168 2.736 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.246 -19.821 1.453 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -11.164 -17.002 0.330 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.816 -18.443 -0.605 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -13.002 -18.512 -1.097 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -13.267 -19.051 0.549 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -14.724 -17.151 0.071 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -13.548 -16.694 1.287 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -12.178 -15.542 -0.398 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -13.227 -16.103 -1.685 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -13.524 -13.742 -0.672 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -14.888 -14.659 -1.101 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -14.408 -14.560 0.525 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.755 -19.838 1.921 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.331 -19.859 2.301 1.00 1.40 C ATOM 1058 C PRO A 53 -6.437 -19.084 1.334 1.00 1.15 C ATOM 1059 O PRO A 53 -6.769 -18.933 0.157 1.00 1.15 O ATOM 1060 CB PRO A 53 -6.961 -21.344 2.311 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.097 -22.046 1.653 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.316 -21.189 1.860 1.00 1.76 C ATOM 0 HA PRO A 53 -7.179 -19.370 3.263 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.029 -21.519 1.774 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -6.815 -21.704 3.329 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -7.900 -22.188 0.590 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -8.242 -23.036 2.085 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.029 -21.295 1.042 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -9.843 -21.450 2.778 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.334 -18.558 1.874 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.385 -17.684 1.155 1.00 0.90 C ATOM 1072 C ASP A 54 -4.891 -16.248 1.216 1.00 0.68 C ATOM 1073 O ASP A 54 -4.135 -15.296 1.047 1.00 0.97 O ATOM 1074 CB ASP A 54 -4.130 -18.116 -0.294 1.00 1.06 C ATOM 1075 CG ASP A 54 -2.867 -17.494 -0.859 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -2.963 -16.645 -1.770 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -1.764 -17.866 -0.398 1.00 1.60 O ATOM 0 H ASP A 54 -5.065 -18.728 2.843 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.420 -17.766 1.654 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -4.051 -19.202 -0.340 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -4.982 -17.832 -0.912 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.192 -16.131 1.448 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.859 -14.874 1.771 1.00 0.47 C ATOM 1084 C ARG A 55 -6.078 -14.010 2.765 1.00 0.41 C ATOM 1085 O ARG A 55 -5.599 -14.489 3.802 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.204 -15.208 2.402 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.044 -15.946 3.732 1.00 1.24 C ATOM 1088 CD ARG A 55 -9.359 -16.441 4.306 1.00 1.87 C ATOM 1089 NE ARG A 55 -9.215 -16.838 5.707 1.00 2.57 N ATOM 1090 CZ ARG A 55 -9.155 -18.100 6.135 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -9.200 -19.110 5.274 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -9.031 -18.350 7.430 1.00 4.10 N ATOM 0 H ARG A 55 -6.829 -16.927 1.416 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.951 -14.306 0.845 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.768 -14.289 2.563 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.785 -15.822 1.714 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -7.375 -16.795 3.590 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -7.568 -15.282 4.453 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -10.111 -15.657 4.224 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -9.717 -17.288 3.721 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.156 -16.097 6.406 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -9.281 -18.925 4.274 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -9.153 -20.071 5.612 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -8.982 -17.579 8.096 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -8.985 -19.314 7.761 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.973 -12.732 2.456 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.522 -11.747 3.419 1.00 0.32 C ATOM 1108 C TYR A 56 -6.361 -10.488 3.275 1.00 0.33 C ATOM 1109 O TYR A 56 -6.999 -10.270 2.245 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.037 -11.420 3.226 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.099 -12.524 3.667 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.590 -13.441 2.756 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.724 -12.649 4.997 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.736 -14.450 3.161 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.870 -13.652 5.409 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.378 -14.550 4.489 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.524 -15.550 4.898 1.00 0.97 O ATOM 0 H TYR A 56 -6.196 -12.350 1.537 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.642 -12.157 4.422 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.857 -11.204 2.173 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -3.800 -10.513 3.782 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -2.866 -13.364 1.715 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.108 -11.948 5.724 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.351 -15.157 2.441 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.589 -13.732 6.449 1.00 0.69 H new ATOM 0 HH TYR A 56 0.400 -15.293 4.699 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.377 -9.686 4.319 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.121 -8.440 4.328 1.00 0.34 C ATOM 1129 C ASP A 57 -6.140 -7.291 4.484 1.00 0.29 C ATOM 1130 O ASP A 57 -5.233 -7.360 5.315 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.135 -8.443 5.477 1.00 0.43 C ATOM 1132 CG ASP A 57 -9.048 -7.232 5.476 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.574 -6.127 5.824 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -10.227 -7.365 5.102 1.00 0.99 O ATOM 0 H ASP A 57 -5.875 -9.878 5.186 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.670 -8.325 3.393 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -8.742 -9.346 5.414 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -7.599 -8.484 6.425 1.00 0.43 H new ATOM 1139 N MET A 58 -6.299 -6.252 3.683 1.00 0.27 N ATOM 1140 CA MET A 58 -5.365 -5.138 3.703 1.00 0.26 C ATOM 1141 C MET A 58 -6.103 -3.825 3.488 1.00 0.27 C ATOM 1142 O MET A 58 -7.032 -3.747 2.689 1.00 0.33 O ATOM 1143 CB MET A 58 -4.280 -5.347 2.638 1.00 0.30 C ATOM 1144 CG MET A 58 -3.198 -4.281 2.630 1.00 0.51 C ATOM 1145 SD MET A 58 -3.679 -2.806 1.732 1.00 0.98 S ATOM 1146 CE MET A 58 -2.323 -1.719 2.140 1.00 0.36 C ATOM 0 H MET A 58 -7.062 -6.156 3.013 1.00 0.27 H new ATOM 0 HA MET A 58 -4.882 -5.093 4.679 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.814 -6.320 2.797 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.752 -5.376 1.656 1.00 0.30 H new ATOM 0 HG2 MET A 58 -2.953 -4.011 3.657 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.293 -4.693 2.184 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.335 -0.857 1.474 1.00 0.36 H new ATOM 0 HE2 MET A 58 -2.425 -1.382 3.172 1.00 0.36 H new ATOM 0 HE3 MET A 58 -1.380 -2.254 2.024 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.692 -2.797 4.212 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.348 -1.502 4.134 1.00 0.32 C ATOM 1158 C GLU A 59 -5.345 -0.374 3.940 1.00 0.31 C ATOM 1159 O GLU A 59 -4.256 -0.382 4.523 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.173 -1.239 5.399 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.321 -2.215 5.599 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.002 -2.049 6.943 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -8.769 -2.886 7.836 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -9.777 -1.085 7.112 1.00 1.11 O ATOM 0 H GLU A 59 -4.906 -2.834 4.861 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.008 -1.527 3.267 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -6.515 -1.285 6.266 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -7.573 -0.226 5.356 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.054 -2.075 4.805 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -7.946 -3.234 5.510 1.00 1.03 H new ATOM 1171 N ASN A 60 -5.728 0.592 3.117 1.00 0.36 N ATOM 1172 CA ASN A 60 -4.954 1.810 2.937 1.00 0.42 C ATOM 1173 C ASN A 60 -5.778 2.948 3.506 1.00 0.46 C ATOM 1174 O ASN A 60 -6.546 3.586 2.784 1.00 0.60 O ATOM 1175 CB ASN A 60 -4.648 2.123 1.457 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.227 0.927 0.611 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -4.683 -0.191 0.807 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -3.360 1.171 -0.359 1.00 1.02 N ATOM 0 H ASN A 60 -6.580 0.553 2.558 1.00 0.36 H new ATOM 0 HA ASN A 60 -3.995 1.683 3.439 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -5.534 2.571 1.007 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -3.857 2.872 1.417 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -3.053 0.415 -0.970 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -2.999 2.115 -0.495 1.00 1.02 H new ATOM 1185 N LEU A 61 -5.666 3.170 4.801 1.00 0.38 N ATOM 1186 CA LEU A 61 -6.506 4.146 5.470 1.00 0.39 C ATOM 1187 C LEU A 61 -5.865 5.521 5.446 1.00 0.39 C ATOM 1188 O LEU A 61 -4.671 5.664 5.708 1.00 0.50 O ATOM 1189 CB LEU A 61 -6.775 3.713 6.908 1.00 0.42 C ATOM 1190 CG LEU A 61 -7.505 2.378 7.053 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -7.734 2.053 8.518 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -8.823 2.406 6.297 1.00 1.66 C ATOM 0 H LEU A 61 -5.004 2.690 5.410 1.00 0.38 H new ATOM 0 HA LEU A 61 -7.454 4.204 4.935 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -5.824 3.650 7.437 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.363 4.487 7.401 1.00 0.42 H new ATOM 0 HG LEU A 61 -6.881 1.595 6.622 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -8.255 1.099 8.602 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -6.774 1.989 9.031 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -8.338 2.837 8.975 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -9.329 1.447 6.412 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -9.455 3.199 6.696 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -8.632 2.591 5.240 1.00 1.66 H new ATOM 1204 N THR A 62 -6.664 6.528 5.136 1.00 0.34 N ATOM 1205 CA THR A 62 -6.178 7.890 5.061 1.00 0.35 C ATOM 1206 C THR A 62 -7.181 8.818 5.737 1.00 0.37 C ATOM 1207 O THR A 62 -7.975 8.376 6.566 1.00 0.43 O ATOM 1208 CB THR A 62 -5.926 8.352 3.600 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.166 8.604 2.919 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.125 7.318 2.820 1.00 0.45 C ATOM 0 H THR A 62 -7.658 6.424 4.932 1.00 0.34 H new ATOM 0 HA THR A 62 -5.218 7.930 5.576 1.00 0.35 H new ATOM 0 HB THR A 62 -5.350 9.276 3.652 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.608 7.753 2.718 1.00 0.34 H new ATOM 0 HG21 THR A 62 -4.967 7.673 1.802 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.161 7.163 3.305 1.00 0.45 H new ATOM 0 HG23 THR A 62 -5.673 6.376 2.795 1.00 0.45 H new ATOM 1218 N THR A 63 -7.152 10.090 5.396 1.00 0.42 N ATOM 1219 CA THR A 63 -8.072 11.047 5.987 1.00 0.46 C ATOM 1220 C THR A 63 -9.215 11.385 5.033 1.00 0.46 C ATOM 1221 O THR A 63 -10.253 11.902 5.445 1.00 0.54 O ATOM 1222 CB THR A 63 -7.326 12.329 6.378 1.00 0.50 C ATOM 1223 OG1 THR A 63 -6.669 12.880 5.227 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.299 12.029 7.455 1.00 0.50 C ATOM 0 H THR A 63 -6.504 10.487 4.715 1.00 0.42 H new ATOM 0 HA THR A 63 -8.498 10.589 6.880 1.00 0.46 H new ATOM 0 HB THR A 63 -8.046 13.051 6.764 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.473 13.827 5.384 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.776 12.946 7.724 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.801 11.626 8.334 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.582 11.299 7.080 1.00 0.50 H new ATOM 1232 N LYS A 64 -9.025 11.084 3.757 1.00 0.46 N ATOM 1233 CA LYS A 64 -10.004 11.441 2.740 1.00 0.50 C ATOM 1234 C LYS A 64 -10.665 10.202 2.154 1.00 0.49 C ATOM 1235 O LYS A 64 -11.892 10.072 2.166 1.00 0.60 O ATOM 1236 CB LYS A 64 -9.335 12.259 1.636 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.836 13.616 2.109 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.987 14.533 2.495 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.497 15.896 2.965 1.00 1.64 C ATOM 1240 NZ LYS A 64 -8.765 15.815 4.255 1.00 2.24 N ATOM 0 H LYS A 64 -8.204 10.594 3.401 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.781 12.044 3.210 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.496 11.692 1.231 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -10.044 12.405 0.821 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -8.174 13.483 2.964 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -8.247 14.083 1.320 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -10.651 14.661 1.640 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -10.573 14.066 3.286 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -8.845 16.327 2.206 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -10.348 16.568 3.074 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -8.569 16.775 4.604 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -9.345 15.305 4.952 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -7.868 15.308 4.114 1.00 2.24 H new ATOM 1254 N LYS A 65 -9.851 9.292 1.651 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.349 8.077 1.036 1.00 0.49 C ATOM 1256 C LYS A 65 -9.689 6.861 1.662 1.00 0.52 C ATOM 1257 O LYS A 65 -8.466 6.766 1.709 1.00 1.09 O ATOM 1258 CB LYS A 65 -10.090 8.098 -0.476 1.00 0.73 C ATOM 1259 CG LYS A 65 -10.350 6.763 -1.158 1.00 1.18 C ATOM 1260 CD LYS A 65 -11.821 6.364 -1.107 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.678 7.239 -2.010 1.00 1.36 C ATOM 1262 NZ LYS A 65 -14.129 6.946 -1.853 1.00 1.82 N ATOM 0 H LYS A 65 -8.834 9.374 1.657 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.424 8.019 1.205 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -10.722 8.859 -0.934 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.056 8.392 -0.655 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.027 6.820 -2.198 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -9.749 5.990 -0.679 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -11.925 5.321 -1.407 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -12.182 6.438 -0.081 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.493 8.288 -1.781 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.387 7.084 -3.049 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -14.684 7.778 -2.139 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -14.386 6.136 -2.452 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -14.332 6.720 -0.858 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.498 5.932 2.132 1.00 0.47 N ATOM 1277 CA ASP A 66 -9.984 4.718 2.739 1.00 0.39 C ATOM 1278 C ASP A 66 -10.308 3.543 1.837 1.00 0.43 C ATOM 1279 O ASP A 66 -11.298 3.574 1.106 1.00 0.66 O ATOM 1280 CB ASP A 66 -10.584 4.487 4.131 1.00 0.57 C ATOM 1281 CG ASP A 66 -10.352 5.646 5.078 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -9.240 5.758 5.628 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -11.291 6.443 5.297 1.00 2.12 O ATOM 0 H ASP A 66 -11.516 5.994 2.106 1.00 0.47 H new ATOM 0 HA ASP A 66 -8.905 4.818 2.857 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -11.656 4.314 4.034 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -10.153 3.583 4.560 1.00 0.57 H new ATOM 1288 N THR A 67 -9.475 2.524 1.868 1.00 0.35 N ATOM 1289 CA THR A 67 -9.697 1.344 1.054 1.00 0.32 C ATOM 1290 C THR A 67 -9.717 0.101 1.926 1.00 0.26 C ATOM 1291 O THR A 67 -9.095 0.074 2.989 1.00 0.30 O ATOM 1292 CB THR A 67 -8.610 1.193 -0.020 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.329 1.260 0.591 1.00 0.38 O ATOM 1294 CG2 THR A 67 -8.723 2.281 -1.074 1.00 0.56 C ATOM 0 H THR A 67 -8.637 2.488 2.448 1.00 0.35 H new ATOM 0 HA THR A 67 -10.661 1.462 0.558 1.00 0.32 H new ATOM 0 HB THR A 67 -8.744 0.228 -0.508 1.00 0.38 H new ATOM 0 HG1 THR A 67 -6.849 0.420 0.437 1.00 0.38 H new ATOM 0 HG21 THR A 67 -7.940 2.147 -1.820 1.00 0.56 H new ATOM 0 HG22 THR A 67 -9.698 2.220 -1.557 1.00 0.56 H new ATOM 0 HG23 THR A 67 -8.612 3.257 -0.602 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.426 -0.921 1.482 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.538 -2.149 2.244 1.00 0.23 C ATOM 1304 C HIS A 68 -10.391 -3.351 1.323 1.00 0.22 C ATOM 1305 O HIS A 68 -11.379 -3.941 0.887 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.883 -2.201 2.979 1.00 0.32 C ATOM 1307 CG HIS A 68 -12.020 -3.369 3.909 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -13.186 -3.674 4.571 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -11.128 -4.318 4.275 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -13.004 -4.757 5.300 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -11.762 -5.166 5.137 1.00 1.95 N ATOM 0 H HIS A 68 -10.933 -0.924 0.597 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.739 -2.175 2.985 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -12.012 -1.279 3.547 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.687 -2.238 2.244 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -10.102 -4.391 3.946 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -13.747 -5.229 5.925 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -11.343 -5.983 5.582 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.154 -3.719 1.039 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.879 -4.885 0.215 1.00 0.26 C ATOM 1322 C HIS A 69 -9.159 -6.144 1.029 1.00 0.29 C ATOM 1323 O HIS A 69 -8.272 -6.663 1.703 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.421 -4.903 -0.257 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.936 -3.636 -0.898 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.659 -2.913 -1.824 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.767 -2.977 -0.749 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.949 -1.873 -2.216 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.794 -1.887 -1.579 1.00 0.39 N ATOM 0 H HIS A 69 -8.323 -3.227 1.367 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.521 -4.846 -0.665 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.783 -5.125 0.598 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.297 -5.720 -0.968 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.596 -3.146 -2.154 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.956 -3.258 -0.093 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.261 -1.133 -2.938 1.00 0.37 H new ATOM 1338 N LYS A 70 -10.397 -6.608 0.996 1.00 0.31 N ATOM 1339 CA LYS A 70 -10.781 -7.782 1.769 1.00 0.37 C ATOM 1340 C LYS A 70 -10.588 -9.078 0.993 1.00 0.31 C ATOM 1341 O LYS A 70 -10.914 -9.166 -0.196 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.226 -7.667 2.248 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.172 -7.043 1.236 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.616 -7.120 1.703 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.747 -6.793 3.180 1.00 1.43 C ATOM 1346 NZ LYS A 70 -16.165 -6.776 3.624 1.00 2.30 N ATOM 0 H LYS A 70 -11.150 -6.194 0.447 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.119 -7.818 2.634 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.592 -8.661 2.505 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.247 -7.074 3.162 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.896 -6.001 1.073 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.070 -7.553 0.278 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.224 -6.427 1.122 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.006 -8.120 1.516 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.193 -7.528 3.764 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -14.294 -5.822 3.378 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -16.209 -6.549 4.638 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.689 -6.057 3.085 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -16.591 -7.710 3.460 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.009 -10.053 1.698 1.00 0.33 N ATOM 1361 CA ASP A 71 -9.823 -11.433 1.225 1.00 0.37 C ATOM 1362 C ASP A 71 -9.263 -11.502 -0.194 1.00 0.33 C ATOM 1363 O ASP A 71 -9.873 -12.055 -1.109 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.096 -12.300 1.387 1.00 0.51 C ATOM 1365 CG ASP A 71 -12.315 -11.833 0.606 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -12.572 -12.383 -0.490 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -13.051 -10.958 1.110 1.00 2.07 O ATOM 0 H ASP A 71 -9.646 -9.904 2.639 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.066 -11.867 1.879 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -10.860 -13.320 1.082 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -11.357 -12.336 2.445 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.070 -10.954 -0.354 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.333 -11.078 -1.598 1.00 0.30 C ATOM 1374 C TRP A 72 -6.286 -12.165 -1.452 1.00 0.31 C ATOM 1375 O TRP A 72 -5.785 -12.409 -0.354 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.668 -9.752 -1.990 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.894 -9.103 -0.880 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.369 -8.182 0.002 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.515 -9.311 -0.535 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.382 -7.807 0.874 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.237 -8.483 0.566 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.485 -10.112 -1.038 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.981 -8.438 1.160 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.243 -10.051 -0.431 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -2.009 -9.223 0.651 1.00 0.43 C ATOM 0 H TRP A 72 -7.590 -10.416 0.367 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.033 -11.342 -2.391 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -5.997 -9.929 -2.831 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.437 -9.061 -2.335 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.380 -7.801 0.013 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.486 -7.132 1.631 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.655 -10.764 -1.882 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.789 -7.793 2.005 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.439 -10.664 -0.811 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -1.026 -9.204 1.099 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.977 -12.831 -2.546 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.980 -13.881 -2.542 1.00 0.50 C ATOM 1398 C ALA A 73 -3.816 -13.498 -3.438 1.00 0.48 C ATOM 1399 O ALA A 73 -3.971 -12.689 -4.354 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.609 -15.174 -3.025 1.00 0.55 C ATOM 0 H ALA A 73 -6.406 -12.661 -3.456 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.606 -14.020 -1.528 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.860 -15.966 -3.023 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.430 -15.449 -2.363 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.990 -15.038 -4.037 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.648 -14.044 -3.149 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.491 -13.850 -4.006 1.00 0.67 C ATOM 1408 C LEU A 74 -1.759 -14.359 -5.415 1.00 0.57 C ATOM 1409 O LEU A 74 -2.198 -15.494 -5.609 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.258 -14.537 -3.419 1.00 0.95 C ATOM 1411 CG LEU A 74 0.566 -13.688 -2.450 1.00 0.68 C ATOM 1412 CD1 LEU A 74 0.983 -12.388 -3.115 1.00 1.28 C ATOM 1413 CD2 LEU A 74 -0.193 -13.423 -1.158 1.00 1.71 C ATOM 0 H LEU A 74 -2.475 -14.625 -2.328 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.297 -12.779 -4.062 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.579 -15.441 -2.901 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.387 -14.851 -4.239 1.00 0.95 H new ATOM 0 HG LEU A 74 1.464 -14.247 -2.188 1.00 0.68 H new ATOM 0 HD11 LEU A 74 1.569 -11.793 -2.415 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.585 -12.607 -3.997 1.00 1.28 H new ATOM 0 HD13 LEU A 74 0.095 -11.830 -3.411 1.00 1.28 H new ATOM 0 HD21 LEU A 74 0.422 -12.817 -0.493 1.00 1.71 H new ATOM 0 HD22 LEU A 74 -1.118 -12.891 -1.382 1.00 1.71 H new ATOM 0 HD23 LEU A 74 -0.427 -14.371 -0.673 1.00 1.71 H new ATOM 1425 N GLY A 75 -1.499 -13.501 -6.390 1.00 0.58 N ATOM 1426 CA GLY A 75 -1.739 -13.847 -7.774 1.00 0.56 C ATOM 1427 C GLY A 75 -3.166 -13.558 -8.186 1.00 0.51 C ATOM 1428 O GLY A 75 -3.585 -13.897 -9.294 1.00 0.59 O ATOM 0 H GLY A 75 -1.123 -12.564 -6.245 1.00 0.58 H new ATOM 0 HA2 GLY A 75 -1.056 -13.287 -8.412 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -1.524 -14.904 -7.927 1.00 0.56 H new ATOM 1432 N GLU A 76 -3.912 -12.925 -7.295 1.00 0.42 N ATOM 1433 CA GLU A 76 -5.307 -12.622 -7.552 1.00 0.40 C ATOM 1434 C GLU A 76 -5.506 -11.156 -7.915 1.00 0.36 C ATOM 1435 O GLU A 76 -4.758 -10.276 -7.479 1.00 0.47 O ATOM 1436 CB GLU A 76 -6.170 -13.016 -6.350 1.00 0.44 C ATOM 1437 CG GLU A 76 -6.521 -14.493 -6.330 1.00 0.92 C ATOM 1438 CD GLU A 76 -7.327 -14.907 -7.539 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -6.711 -15.244 -8.572 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -8.576 -14.906 -7.464 1.00 1.59 O ATOM 0 H GLU A 76 -3.572 -12.611 -6.386 1.00 0.42 H new ATOM 0 HA GLU A 76 -5.625 -13.211 -8.412 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.641 -12.761 -5.431 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -7.089 -12.430 -6.362 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -5.604 -15.081 -6.288 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -7.086 -14.718 -5.425 1.00 0.92 H new ATOM 1447 N GLU A 77 -6.529 -10.921 -8.717 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.860 -9.604 -9.235 1.00 0.43 C ATOM 1449 C GLU A 77 -8.344 -9.346 -9.004 1.00 0.44 C ATOM 1450 O GLU A 77 -9.193 -10.082 -9.508 1.00 0.54 O ATOM 1451 CB GLU A 77 -6.539 -9.550 -10.732 1.00 0.53 C ATOM 1452 CG GLU A 77 -7.029 -8.296 -11.437 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.894 -8.398 -12.943 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.871 -7.929 -13.484 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.811 -8.935 -13.595 1.00 0.90 O ATOM 0 H GLU A 77 -7.165 -11.653 -9.033 1.00 0.39 H new ATOM 0 HA GLU A 77 -6.275 -8.839 -8.724 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -5.459 -9.626 -10.862 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.981 -10.420 -11.217 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -8.073 -8.120 -11.178 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -6.463 -7.436 -11.080 1.00 0.74 H new ATOM 1462 N PHE A 78 -8.653 -8.326 -8.230 1.00 0.39 N ATOM 1463 CA PHE A 78 -10.030 -8.025 -7.878 1.00 0.41 C ATOM 1464 C PHE A 78 -10.337 -6.566 -8.160 1.00 0.42 C ATOM 1465 O PHE A 78 -9.444 -5.728 -8.129 1.00 0.42 O ATOM 1466 CB PHE A 78 -10.267 -8.338 -6.396 1.00 0.44 C ATOM 1467 CG PHE A 78 -9.417 -7.537 -5.448 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -8.131 -7.947 -5.134 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -9.902 -6.373 -4.875 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -7.347 -7.212 -4.269 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -9.121 -5.635 -4.008 1.00 0.57 C ATOM 1472 CZ PHE A 78 -7.852 -6.061 -3.689 1.00 0.52 C ATOM 0 H PHE A 78 -7.966 -7.687 -7.830 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.694 -8.643 -8.483 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -11.317 -8.159 -6.163 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -10.079 -9.398 -6.226 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -7.738 -8.853 -5.572 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.902 -6.039 -5.109 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -6.341 -7.534 -4.045 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -9.507 -4.722 -3.579 1.00 0.57 H new ATOM 0 HZ PHE A 78 -7.252 -5.499 -2.988 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.590 -6.257 -8.447 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.986 -4.871 -8.618 1.00 0.51 C ATOM 1484 C GLN A 79 -12.297 -4.278 -7.258 1.00 0.50 C ATOM 1485 O GLN A 79 -12.781 -4.979 -6.366 1.00 0.54 O ATOM 1486 CB GLN A 79 -13.187 -4.720 -9.554 1.00 0.62 C ATOM 1487 CG GLN A 79 -12.863 -4.918 -11.027 1.00 1.00 C ATOM 1488 CD GLN A 79 -12.799 -6.379 -11.430 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -13.810 -6.976 -11.792 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -11.611 -6.959 -11.382 1.00 1.94 N ATOM 0 H GLN A 79 -12.341 -6.937 -8.565 1.00 0.46 H new ATOM 0 HA GLN A 79 -11.159 -4.335 -9.083 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.952 -5.439 -9.263 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.615 -3.727 -9.419 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -13.618 -4.413 -11.630 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -11.907 -4.443 -11.250 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.796 -6.428 -11.075 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -11.510 -7.938 -11.652 1.00 1.94 H new ATOM 1499 N ASP A 80 -12.034 -2.995 -7.102 1.00 0.49 N ATOM 1500 CA ASP A 80 -12.111 -2.364 -5.795 1.00 0.49 C ATOM 1501 C ASP A 80 -12.131 -0.851 -5.941 1.00 0.52 C ATOM 1502 O ASP A 80 -11.810 -0.324 -7.012 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.910 -2.799 -4.947 1.00 0.63 C ATOM 1504 CG ASP A 80 -11.080 -2.497 -3.471 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -12.223 -2.565 -2.975 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.072 -2.186 -2.801 1.00 1.26 O ATOM 0 H ASP A 80 -11.766 -2.369 -7.861 1.00 0.49 H new ATOM 0 HA ASP A 80 -13.031 -2.674 -5.300 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.751 -3.870 -5.076 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -10.014 -2.297 -5.313 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.492 -0.160 -4.866 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.531 1.293 -4.866 1.00 0.65 C ATOM 1513 C GLU A 81 -11.295 1.815 -4.165 1.00 0.63 C ATOM 1514 O GLU A 81 -11.232 1.873 -2.935 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.791 1.809 -4.170 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.952 3.318 -4.252 1.00 1.64 C ATOM 1517 CD GLU A 81 -15.142 3.821 -3.464 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -16.288 3.531 -3.864 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.939 4.516 -2.445 1.00 1.81 O ATOM 0 H GLU A 81 -12.763 -0.587 -3.980 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.553 1.649 -5.896 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.664 1.333 -4.616 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.766 1.510 -3.122 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -13.046 3.797 -3.880 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -14.062 3.612 -5.296 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.311 2.165 -4.962 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.998 2.505 -4.450 1.00 0.67 C ATOM 1528 C ALA A 82 -8.895 3.958 -3.999 1.00 0.60 C ATOM 1529 O ALA A 82 -9.849 4.725 -4.138 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.964 2.201 -5.505 1.00 0.95 C ATOM 0 H ALA A 82 -10.394 2.223 -5.977 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.819 1.899 -3.562 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.973 2.454 -5.127 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.998 1.140 -5.752 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.173 2.789 -6.399 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.732 4.325 -3.449 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.486 5.691 -2.984 1.00 0.58 C ATOM 1538 C LEU A 83 -7.751 6.668 -4.111 1.00 0.59 C ATOM 1539 O LEU A 83 -8.349 7.728 -3.916 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.035 5.891 -2.505 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.558 5.032 -1.328 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.552 5.087 -0.182 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.294 3.599 -1.761 1.00 1.34 C ATOM 0 H LEU A 83 -6.945 3.691 -3.316 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.156 5.868 -2.143 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.372 5.704 -3.350 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -5.912 6.938 -2.230 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.614 5.445 -0.973 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.192 4.470 0.642 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.660 6.117 0.157 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.518 4.713 -0.520 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -4.957 3.016 -0.904 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.211 3.164 -2.158 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.524 3.588 -2.532 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.356 6.260 -5.306 1.00 0.60 N ATOM 1556 CA ASP A 84 -7.414 7.127 -6.477 1.00 0.67 C ATOM 1557 C ASP A 84 -8.850 7.278 -6.977 1.00 0.69 C ATOM 1558 O ASP A 84 -9.098 7.840 -8.045 1.00 0.78 O ATOM 1559 CB ASP A 84 -6.488 6.610 -7.581 1.00 0.70 C ATOM 1560 CG ASP A 84 -6.987 5.344 -8.247 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -6.985 4.277 -7.593 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -7.370 5.410 -9.436 1.00 1.39 O ATOM 0 H ASP A 84 -6.989 5.327 -5.494 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.063 8.117 -6.186 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -6.369 7.386 -8.337 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -5.501 6.423 -7.158 1.00 0.70 H new ATOM 1567 N SER A 85 -9.788 6.767 -6.176 1.00 0.67 N ATOM 1568 CA SER A 85 -11.212 7.009 -6.364 1.00 0.74 C ATOM 1569 C SER A 85 -11.722 6.416 -7.675 1.00 0.77 C ATOM 1570 O SER A 85 -12.556 7.013 -8.359 1.00 1.09 O ATOM 1571 CB SER A 85 -11.484 8.513 -6.294 1.00 0.84 C ATOM 1572 OG SER A 85 -10.834 9.083 -5.164 1.00 1.21 O ATOM 0 H SER A 85 -9.575 6.171 -5.376 1.00 0.67 H new ATOM 0 HA SER A 85 -11.757 6.508 -5.564 1.00 0.74 H new ATOM 0 HB2 SER A 85 -11.132 8.995 -7.206 1.00 0.84 H new ATOM 0 HB3 SER A 85 -12.557 8.692 -6.233 1.00 0.84 H new ATOM 0 HG SER A 85 -11.016 10.046 -5.133 1.00 1.21 H new ATOM 1578 N THR A 86 -11.206 5.248 -8.022 1.00 0.67 N ATOM 1579 CA THR A 86 -11.682 4.524 -9.184 1.00 0.67 C ATOM 1580 C THR A 86 -12.155 3.137 -8.793 1.00 0.66 C ATOM 1581 O THR A 86 -11.789 2.617 -7.732 1.00 0.76 O ATOM 1582 CB THR A 86 -10.593 4.383 -10.260 1.00 0.76 C ATOM 1583 OG1 THR A 86 -9.387 3.880 -9.676 1.00 0.86 O ATOM 1584 CG2 THR A 86 -10.328 5.707 -10.950 1.00 0.93 C ATOM 0 H THR A 86 -10.455 4.782 -7.512 1.00 0.67 H new ATOM 0 HA THR A 86 -12.510 5.103 -9.595 1.00 0.67 H new ATOM 0 HB THR A 86 -10.948 3.677 -11.011 1.00 0.76 H new ATOM 0 HG1 THR A 86 -8.659 4.518 -9.829 1.00 0.86 H new ATOM 0 HG21 THR A 86 -9.553 5.575 -11.705 1.00 0.93 H new ATOM 0 HG22 THR A 86 -11.243 6.059 -11.426 1.00 0.93 H new ATOM 0 HG23 THR A 86 -9.997 6.440 -10.215 1.00 0.93 H new ATOM 1592 N GLN A 87 -12.946 2.538 -9.665 1.00 0.68 N ATOM 1593 CA GLN A 87 -13.432 1.183 -9.472 1.00 0.76 C ATOM 1594 C GLN A 87 -12.687 0.281 -10.429 1.00 0.66 C ATOM 1595 O GLN A 87 -13.216 -0.095 -11.467 1.00 0.89 O ATOM 1596 CB GLN A 87 -14.928 1.097 -9.778 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.753 2.197 -9.139 1.00 0.98 C ATOM 1598 CD GLN A 87 -15.724 2.165 -7.623 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -15.827 3.202 -6.972 1.00 1.88 O ATOM 1600 NE2 GLN A 87 -15.594 0.980 -7.049 1.00 1.33 N ATOM 0 H GLN A 87 -13.270 2.977 -10.527 1.00 0.68 H new ATOM 0 HA GLN A 87 -13.271 0.883 -8.437 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -15.070 1.132 -10.858 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -15.303 0.132 -9.438 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.385 3.164 -9.482 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -16.785 2.111 -9.478 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -15.511 0.141 -7.624 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -15.577 0.905 -6.032 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.478 -0.090 -10.077 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.579 -0.662 -11.063 1.00 0.53 C ATOM 1611 C HIS A 88 -10.067 -2.021 -10.618 1.00 0.49 C ATOM 1612 O HIS A 88 -10.312 -2.437 -9.489 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.415 0.294 -11.340 1.00 0.63 C ATOM 1614 CG HIS A 88 -8.423 0.403 -10.227 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.311 1.497 -9.403 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -7.490 -0.470 -9.810 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.353 1.280 -8.528 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -6.839 0.092 -8.752 1.00 0.97 N ATOM 0 H HIS A 88 -11.095 -0.010 -9.135 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.138 -0.806 -11.988 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -8.897 -0.036 -12.240 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -9.818 1.285 -11.549 1.00 0.63 H new ATOM 0 HD1 HIS A 88 -8.880 2.342 -9.461 1.00 0.75 H new ATOM 0 HD2 HIS A 88 -7.292 -1.442 -10.236 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -7.041 1.965 -7.754 1.00 0.73 H new ATOM 1627 N LYS A 89 -9.338 -2.696 -11.502 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.828 -4.018 -11.195 1.00 0.49 C ATOM 1629 C LYS A 89 -7.500 -3.915 -10.452 1.00 0.45 C ATOM 1630 O LYS A 89 -6.629 -3.111 -10.798 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.698 -4.864 -12.468 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.559 -4.468 -13.390 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.496 -5.393 -14.592 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.283 -5.112 -15.458 1.00 1.15 C ATOM 1635 NZ LYS A 89 -6.197 -6.051 -16.607 1.00 1.49 N ATOM 0 H LYS A 89 -9.091 -2.348 -12.429 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.540 -4.522 -10.541 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -8.566 -5.907 -12.181 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.633 -4.802 -13.024 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -7.695 -3.439 -13.723 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.615 -4.505 -12.847 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -7.468 -6.428 -14.252 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -8.402 -5.277 -15.187 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -6.330 -4.088 -15.828 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -5.379 -5.192 -14.854 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -5.355 -5.828 -17.176 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.127 -7.027 -16.254 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -7.048 -5.957 -17.197 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.364 -4.721 -9.420 1.00 0.38 N ATOM 1650 CA ILE A 90 -6.250 -4.628 -8.503 1.00 0.35 C ATOM 1651 C ILE A 90 -5.628 -5.994 -8.273 1.00 0.34 C ATOM 1652 O ILE A 90 -6.321 -6.948 -7.929 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.703 -4.043 -7.150 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -7.318 -2.659 -7.362 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.538 -3.982 -6.186 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.448 -1.828 -6.107 1.00 0.54 C ATOM 0 H ILE A 90 -8.027 -5.462 -9.193 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.508 -3.966 -8.950 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.462 -4.693 -6.715 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -6.709 -2.112 -8.082 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -8.306 -2.779 -7.806 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.874 -3.567 -5.236 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -5.146 -4.986 -6.025 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.754 -3.349 -6.602 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.893 -0.864 -6.353 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -8.083 -2.349 -5.390 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.462 -1.671 -5.671 1.00 0.54 H new ATOM 1668 N THR A 91 -4.326 -6.087 -8.467 1.00 0.30 N ATOM 1669 CA THR A 91 -3.628 -7.348 -8.318 1.00 0.30 C ATOM 1670 C THR A 91 -2.596 -7.280 -7.192 1.00 0.28 C ATOM 1671 O THR A 91 -1.933 -6.255 -7.000 1.00 0.31 O ATOM 1672 CB THR A 91 -2.924 -7.733 -9.632 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.837 -7.597 -10.726 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.399 -9.160 -9.584 1.00 0.37 C ATOM 0 H THR A 91 -3.730 -5.302 -8.729 1.00 0.30 H new ATOM 0 HA THR A 91 -4.370 -8.106 -8.067 1.00 0.30 H new ATOM 0 HB THR A 91 -2.076 -7.062 -9.769 1.00 0.33 H new ATOM 0 HG1 THR A 91 -3.386 -7.841 -11.561 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.908 -9.399 -10.527 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.683 -9.257 -8.768 1.00 0.37 H new ATOM 0 HG23 THR A 91 -3.229 -9.848 -9.423 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.482 -8.373 -6.454 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.468 -8.510 -5.421 1.00 0.33 C ATOM 1684 C PHE A 92 -0.546 -9.663 -5.779 1.00 0.39 C ATOM 1685 O PHE A 92 -1.010 -10.744 -6.143 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.098 -8.752 -4.049 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.615 -7.507 -3.383 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.822 -6.951 -3.775 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.893 -6.891 -2.376 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -4.299 -5.800 -3.175 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -2.365 -5.742 -1.772 1.00 0.46 C ATOM 1692 CZ PHE A 92 -3.571 -5.218 -2.135 1.00 0.52 C ATOM 0 H PHE A 92 -3.088 -9.188 -6.554 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.901 -7.581 -5.366 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -2.919 -9.461 -4.158 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.358 -9.219 -3.399 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -4.397 -7.422 -4.558 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.951 -7.313 -2.059 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -5.225 -5.356 -3.507 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -1.776 -5.256 -1.008 1.00 0.46 H new ATOM 0 HZ PHE A 92 -3.962 -4.354 -1.619 1.00 0.52 H new ATOM 1702 N ASP A 93 0.753 -9.435 -5.678 1.00 0.37 N ATOM 1703 CA ASP A 93 1.726 -10.441 -6.080 1.00 0.43 C ATOM 1704 C ASP A 93 3.033 -10.260 -5.325 1.00 0.36 C ATOM 1705 O ASP A 93 3.459 -9.135 -5.058 1.00 0.39 O ATOM 1706 CB ASP A 93 1.974 -10.367 -7.590 1.00 0.58 C ATOM 1707 CG ASP A 93 3.002 -11.377 -8.067 1.00 0.80 C ATOM 1708 OD1 ASP A 93 3.948 -10.978 -8.777 1.00 1.69 O ATOM 1709 OD2 ASP A 93 2.870 -12.572 -7.740 1.00 1.24 O ATOM 0 H ASP A 93 1.158 -8.568 -5.324 1.00 0.37 H new ATOM 0 HA ASP A 93 1.321 -11.423 -5.836 1.00 0.43 H new ATOM 0 HB2 ASP A 93 1.035 -10.535 -8.117 1.00 0.58 H new ATOM 0 HB3 ASP A 93 2.310 -9.363 -7.850 1.00 0.58 H new ATOM 1714 N LEU A 94 3.654 -11.373 -4.973 1.00 0.42 N ATOM 1715 CA LEU A 94 4.942 -11.351 -4.304 1.00 0.51 C ATOM 1716 C LEU A 94 6.043 -11.317 -5.352 1.00 0.56 C ATOM 1717 O LEU A 94 6.207 -12.266 -6.122 1.00 0.63 O ATOM 1718 CB LEU A 94 5.099 -12.579 -3.398 1.00 0.61 C ATOM 1719 CG LEU A 94 5.221 -12.292 -1.894 1.00 0.64 C ATOM 1720 CD1 LEU A 94 6.451 -11.455 -1.595 1.00 1.02 C ATOM 1721 CD2 LEU A 94 3.976 -11.598 -1.371 1.00 1.12 C ATOM 0 H LEU A 94 3.283 -12.308 -5.141 1.00 0.42 H new ATOM 0 HA LEU A 94 5.010 -10.462 -3.677 1.00 0.51 H new ATOM 0 HB2 LEU A 94 4.242 -13.234 -3.555 1.00 0.61 H new ATOM 0 HB3 LEU A 94 5.984 -13.130 -3.716 1.00 0.61 H new ATOM 0 HG LEU A 94 5.325 -13.250 -1.384 1.00 0.64 H new ATOM 0 HD11 LEU A 94 6.512 -11.267 -0.523 1.00 1.02 H new ATOM 0 HD12 LEU A 94 7.343 -11.990 -1.921 1.00 1.02 H new ATOM 0 HD13 LEU A 94 6.383 -10.506 -2.126 1.00 1.02 H new ATOM 0 HD21 LEU A 94 4.088 -11.406 -0.304 1.00 1.12 H new ATOM 0 HD22 LEU A 94 3.838 -10.653 -1.897 1.00 1.12 H new ATOM 0 HD23 LEU A 94 3.108 -12.236 -1.536 1.00 1.12 H new ATOM 1733 N LYS A 95 6.789 -10.227 -5.389 1.00 0.58 N ATOM 1734 CA LYS A 95 7.803 -10.036 -6.415 1.00 0.66 C ATOM 1735 C LYS A 95 9.102 -10.686 -5.960 1.00 0.69 C ATOM 1736 O LYS A 95 9.798 -11.341 -6.736 1.00 0.78 O ATOM 1737 CB LYS A 95 8.006 -8.544 -6.680 1.00 0.70 C ATOM 1738 CG LYS A 95 8.883 -8.246 -7.885 1.00 0.91 C ATOM 1739 CD LYS A 95 9.013 -6.752 -8.113 1.00 1.61 C ATOM 1740 CE LYS A 95 9.848 -6.444 -9.345 1.00 2.08 C ATOM 1741 NZ LYS A 95 9.214 -6.958 -10.586 1.00 3.03 N ATOM 0 H LYS A 95 6.713 -9.460 -4.721 1.00 0.58 H new ATOM 0 HA LYS A 95 7.479 -10.503 -7.345 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.033 -8.075 -6.827 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.451 -8.085 -5.797 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.871 -8.681 -7.735 1.00 0.91 H new ATOM 0 HG3 LYS A 95 8.459 -8.716 -8.772 1.00 0.91 H new ATOM 0 HD2 LYS A 95 8.022 -6.313 -8.226 1.00 1.61 H new ATOM 0 HD3 LYS A 95 9.469 -6.288 -7.238 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.988 -5.366 -9.428 1.00 2.08 H new ATOM 0 HE3 LYS A 95 10.838 -6.887 -9.233 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 9.666 -6.520 -11.414 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 9.331 -7.990 -10.634 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 8.201 -6.724 -10.581 1.00 3.03 H new ATOM 1755 N ASP A 96 9.407 -10.492 -4.691 1.00 0.65 N ATOM 1756 CA ASP A 96 10.513 -11.161 -4.027 1.00 0.70 C ATOM 1757 C ASP A 96 10.187 -11.187 -2.539 1.00 0.65 C ATOM 1758 O ASP A 96 9.277 -10.480 -2.111 1.00 0.60 O ATOM 1759 CB ASP A 96 11.851 -10.445 -4.305 1.00 0.76 C ATOM 1760 CG ASP A 96 11.958 -9.076 -3.661 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.880 -8.064 -4.384 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.091 -9.005 -2.421 1.00 1.79 O ATOM 0 H ASP A 96 8.888 -9.858 -4.084 1.00 0.65 H new ATOM 0 HA ASP A 96 10.634 -12.176 -4.407 1.00 0.70 H new ATOM 0 HB2 ASP A 96 12.668 -11.070 -3.946 1.00 0.76 H new ATOM 0 HB3 ASP A 96 11.979 -10.340 -5.382 1.00 0.76 H new ATOM 1767 N PRO A 97 10.888 -12.015 -1.736 1.00 0.73 N ATOM 1768 CA PRO A 97 10.557 -12.238 -0.311 1.00 0.76 C ATOM 1769 C PRO A 97 10.573 -10.975 0.557 1.00 0.66 C ATOM 1770 O PRO A 97 10.321 -11.050 1.762 1.00 0.73 O ATOM 1771 CB PRO A 97 11.643 -13.206 0.166 1.00 0.91 C ATOM 1772 CG PRO A 97 12.135 -13.865 -1.074 1.00 0.98 C ATOM 1773 CD PRO A 97 12.048 -12.825 -2.149 1.00 0.87 C ATOM 0 HA PRO A 97 9.536 -12.609 -0.219 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.447 -12.678 0.679 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.242 -13.936 0.869 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.160 -14.216 -0.951 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.528 -14.736 -1.322 1.00 0.98 H new ATOM 0 HD2 PRO A 97 12.958 -12.227 -2.206 1.00 0.87 H new ATOM 0 HD3 PRO A 97 11.898 -13.272 -3.132 1.00 0.87 H new ATOM 1781 N ASN A 98 10.868 -9.828 -0.036 1.00 0.57 N ATOM 1782 CA ASN A 98 10.865 -8.572 0.695 1.00 0.55 C ATOM 1783 C ASN A 98 10.157 -7.492 -0.124 1.00 0.46 C ATOM 1784 O ASN A 98 10.323 -6.299 0.122 1.00 0.50 O ATOM 1785 CB ASN A 98 12.306 -8.161 1.028 1.00 0.68 C ATOM 1786 CG ASN A 98 12.402 -7.119 2.132 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.378 -7.450 3.316 1.00 2.32 O ATOM 1788 ND2 ASN A 98 12.542 -5.856 1.756 1.00 1.91 N ATOM 0 H ASN A 98 11.113 -9.742 -1.023 1.00 0.57 H new ATOM 0 HA ASN A 98 10.321 -8.697 1.631 1.00 0.55 H new ATOM 0 HB2 ASN A 98 12.868 -9.046 1.326 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.781 -7.770 0.128 1.00 0.68 H new ATOM 0 HD21 ASN A 98 12.634 -5.122 2.458 1.00 1.91 H new ATOM 0 HD22 ASN A 98 12.558 -5.618 0.764 1.00 1.91 H new ATOM 1795 N THR A 99 9.358 -7.919 -1.100 1.00 0.43 N ATOM 1796 CA THR A 99 8.618 -6.986 -1.940 1.00 0.39 C ATOM 1797 C THR A 99 7.247 -7.541 -2.337 1.00 0.33 C ATOM 1798 O THR A 99 7.141 -8.454 -3.164 1.00 0.37 O ATOM 1799 CB THR A 99 9.393 -6.647 -3.228 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.730 -6.235 -2.916 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.690 -5.545 -4.002 1.00 0.51 C ATOM 0 H THR A 99 9.208 -8.902 -1.326 1.00 0.43 H new ATOM 0 HA THR A 99 8.485 -6.084 -1.342 1.00 0.39 H new ATOM 0 HB THR A 99 9.430 -7.545 -3.844 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.351 -6.617 -3.570 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.253 -5.320 -4.908 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.686 -5.873 -4.271 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.626 -4.650 -3.383 1.00 0.51 H new ATOM 1809 N LEU A 100 6.204 -6.987 -1.737 1.00 0.28 N ATOM 1810 CA LEU A 100 4.831 -7.263 -2.143 1.00 0.26 C ATOM 1811 C LEU A 100 4.418 -6.187 -3.145 1.00 0.27 C ATOM 1812 O LEU A 100 4.719 -5.022 -2.933 1.00 0.34 O ATOM 1813 CB LEU A 100 3.910 -7.200 -0.915 1.00 0.28 C ATOM 1814 CG LEU A 100 2.701 -8.145 -0.901 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.843 -7.860 0.320 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.866 -8.018 -2.166 1.00 1.10 C ATOM 0 H LEU A 100 6.283 -6.335 -0.957 1.00 0.28 H new ATOM 0 HA LEU A 100 4.755 -8.254 -2.590 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.511 -7.406 -0.030 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.542 -6.178 -0.819 1.00 0.28 H new ATOM 0 HG LEU A 100 3.077 -9.167 -0.858 1.00 0.45 H new ATOM 0 HD11 LEU A 100 0.985 -8.533 0.327 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.433 -8.015 1.223 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.494 -6.828 0.287 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.021 -8.704 -2.114 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.499 -6.996 -2.258 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.480 -8.263 -3.033 1.00 1.10 H new ATOM 1828 N THR A 101 3.748 -6.540 -4.228 1.00 0.29 N ATOM 1829 CA THR A 101 3.344 -5.528 -5.190 1.00 0.31 C ATOM 1830 C THR A 101 1.833 -5.365 -5.224 1.00 0.30 C ATOM 1831 O THR A 101 1.090 -6.346 -5.334 1.00 0.31 O ATOM 1832 CB THR A 101 3.857 -5.836 -6.610 1.00 0.36 C ATOM 1833 OG1 THR A 101 3.602 -7.206 -6.959 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.341 -5.542 -6.712 1.00 0.41 C ATOM 0 H THR A 101 3.477 -7.495 -4.461 1.00 0.29 H new ATOM 0 HA THR A 101 3.797 -4.595 -4.856 1.00 0.31 H new ATOM 0 HB THR A 101 3.321 -5.195 -7.310 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.729 -7.774 -6.170 1.00 0.36 H new ATOM 0 HG21 THR A 101 5.688 -5.765 -7.721 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.519 -4.490 -6.491 1.00 0.41 H new ATOM 0 HG23 THR A 101 5.884 -6.160 -5.997 1.00 0.41 H new ATOM 1842 N GLU A 102 1.395 -4.123 -5.101 1.00 0.31 N ATOM 1843 CA GLU A 102 -0.015 -3.787 -5.220 1.00 0.33 C ATOM 1844 C GLU A 102 -0.230 -2.983 -6.494 1.00 0.35 C ATOM 1845 O GLU A 102 0.084 -1.788 -6.549 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.491 -2.986 -4.002 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.993 -2.732 -3.990 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.450 -1.903 -2.803 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.730 -1.886 -1.776 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.521 -1.278 -2.882 1.00 0.98 O ATOM 0 H GLU A 102 2.002 -3.324 -4.917 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.597 -4.708 -5.264 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.214 -3.522 -3.094 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.031 -2.030 -3.980 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -2.276 -2.223 -4.911 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.517 -3.688 -3.980 1.00 0.56 H new ATOM 1857 N THR A 103 -0.749 -3.637 -7.520 1.00 0.36 N ATOM 1858 CA THR A 103 -0.898 -3.010 -8.820 1.00 0.39 C ATOM 1859 C THR A 103 -2.321 -2.495 -9.020 1.00 0.39 C ATOM 1860 O THR A 103 -3.279 -3.269 -9.055 1.00 0.42 O ATOM 1861 CB THR A 103 -0.544 -3.998 -9.949 1.00 0.43 C ATOM 1862 OG1 THR A 103 0.736 -4.589 -9.689 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.509 -3.296 -11.298 1.00 0.46 C ATOM 0 H THR A 103 -1.074 -4.603 -7.476 1.00 0.36 H new ATOM 0 HA THR A 103 -0.210 -2.166 -8.857 1.00 0.39 H new ATOM 0 HB THR A 103 -1.312 -4.771 -9.979 1.00 0.43 H new ATOM 0 HG1 THR A 103 0.958 -5.218 -10.407 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.257 -4.016 -12.076 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.487 -2.862 -11.508 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.242 -2.506 -11.278 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.452 -1.180 -9.123 1.00 0.40 N ATOM 1872 CA HIS A 104 -3.737 -0.550 -9.383 1.00 0.45 C ATOM 1873 C HIS A 104 -3.894 -0.271 -10.874 1.00 0.40 C ATOM 1874 O HIS A 104 -3.341 0.703 -11.378 1.00 0.48 O ATOM 1875 CB HIS A 104 -3.868 0.782 -8.627 1.00 0.70 C ATOM 1876 CG HIS A 104 -3.872 0.689 -7.133 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.037 1.793 -6.323 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.783 -0.375 -6.300 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -4.054 1.411 -5.061 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.902 0.102 -5.021 1.00 1.69 N ATOM 0 H HIS A 104 -1.676 -0.524 -9.029 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.511 -1.237 -9.041 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -3.046 1.431 -8.929 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.791 1.268 -8.944 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -3.644 -1.406 -6.589 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -4.172 2.060 -4.206 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -3.877 -0.465 -4.173 1.00 1.69 H new ATOM 1889 N ILE A 105 -4.632 -1.114 -11.584 1.00 0.45 N ATOM 1890 CA ILE A 105 -4.878 -0.871 -12.999 1.00 0.52 C ATOM 1891 C ILE A 105 -6.291 -0.367 -13.231 1.00 0.54 C ATOM 1892 O ILE A 105 -7.273 -1.084 -13.000 1.00 0.55 O ATOM 1893 CB ILE A 105 -4.643 -2.117 -13.866 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.187 -2.567 -13.744 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.011 -1.826 -15.323 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -2.801 -3.632 -14.737 1.00 0.75 C ATOM 0 H ILE A 105 -5.065 -1.959 -11.211 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.159 -0.108 -13.299 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.283 -2.926 -13.514 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.536 -1.703 -13.878 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.015 -2.942 -12.735 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -4.840 -2.717 -15.927 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.062 -1.543 -15.383 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.394 -1.010 -15.698 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.755 -3.903 -14.592 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.427 -4.512 -14.589 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -2.941 -3.253 -15.749 1.00 0.75 H new ATOM 1908 N LYS A 106 -6.384 0.878 -13.669 1.00 0.59 N ATOM 1909 CA LYS A 106 -7.671 1.492 -13.949 1.00 0.63 C ATOM 1910 C LYS A 106 -8.385 0.775 -15.082 1.00 0.67 C ATOM 1911 O LYS A 106 -7.895 0.719 -16.206 1.00 0.70 O ATOM 1912 CB LYS A 106 -7.503 2.971 -14.286 1.00 0.73 C ATOM 1913 CG LYS A 106 -6.825 3.768 -13.181 1.00 0.81 C ATOM 1914 CD LYS A 106 -6.938 5.266 -13.415 1.00 1.05 C ATOM 1915 CE LYS A 106 -6.505 5.646 -14.817 1.00 1.47 C ATOM 1916 NZ LYS A 106 -6.479 7.118 -15.012 1.00 1.61 N ATOM 0 H LYS A 106 -5.581 1.484 -13.839 1.00 0.59 H new ATOM 0 HA LYS A 106 -8.281 1.405 -13.050 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -6.919 3.064 -15.202 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -8.483 3.404 -14.488 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -7.276 3.515 -12.221 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -5.773 3.487 -13.123 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -7.968 5.583 -13.253 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -6.323 5.796 -12.687 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -5.514 5.237 -15.014 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -7.185 5.196 -15.541 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -6.498 7.334 -16.029 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -7.309 7.544 -14.552 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -5.612 7.509 -14.592 1.00 1.61 H new ATOM 1930 N VAL A 107 -9.540 0.205 -14.754 1.00 0.70 N ATOM 1931 CA VAL A 107 -10.393 -0.445 -15.740 1.00 0.78 C ATOM 1932 C VAL A 107 -10.781 0.524 -16.852 1.00 0.86 C ATOM 1933 O VAL A 107 -11.044 0.122 -17.983 1.00 0.92 O ATOM 1934 CB VAL A 107 -11.660 -1.023 -15.103 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.332 -2.249 -14.274 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -12.316 0.032 -14.258 1.00 1.11 C ATOM 0 H VAL A 107 -9.908 0.181 -13.803 1.00 0.70 H new ATOM 0 HA VAL A 107 -9.815 -1.266 -16.164 1.00 0.78 H new ATOM 0 HB VAL A 107 -12.349 -1.330 -15.890 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.246 -2.644 -13.831 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -10.880 -3.009 -14.911 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -10.633 -1.977 -13.483 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -13.219 -0.376 -13.803 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -11.628 0.352 -13.476 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -12.578 0.887 -14.882 1.00 1.11 H new ATOM 1946 N ASP A 108 -10.794 1.807 -16.513 1.00 0.89 N ATOM 1947 CA ASP A 108 -11.138 2.856 -17.461 1.00 1.00 C ATOM 1948 C ASP A 108 -9.979 3.128 -18.409 1.00 0.97 C ATOM 1949 O ASP A 108 -10.147 3.114 -19.626 1.00 1.06 O ATOM 1950 CB ASP A 108 -11.514 4.141 -16.718 1.00 1.05 C ATOM 1951 CG ASP A 108 -12.865 4.047 -16.040 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -13.794 4.773 -16.454 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -13.011 3.245 -15.095 1.00 2.50 O ATOM 0 H ASP A 108 -10.568 2.147 -15.578 1.00 0.89 H new ATOM 0 HA ASP A 108 -11.994 2.518 -18.045 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -10.751 4.361 -15.971 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -11.521 4.974 -17.421 1.00 1.05 H new ATOM 1958 N ASP A 109 -8.801 3.361 -17.843 1.00 0.91 N ATOM 1959 CA ASP A 109 -7.610 3.642 -18.633 1.00 0.92 C ATOM 1960 C ASP A 109 -6.414 2.920 -18.046 1.00 0.84 C ATOM 1961 O ASP A 109 -5.719 3.439 -17.170 1.00 0.85 O ATOM 1962 CB ASP A 109 -7.333 5.148 -18.709 1.00 1.03 C ATOM 1963 CG ASP A 109 -8.283 5.871 -19.641 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -9.267 6.465 -19.154 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -8.047 5.844 -20.867 1.00 1.94 O ATOM 0 H ASP A 109 -8.645 3.361 -16.835 1.00 0.91 H new ATOM 0 HA ASP A 109 -7.785 3.282 -19.647 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -7.412 5.579 -17.711 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -6.309 5.308 -19.045 1.00 1.03 H new ATOM 1970 N PRO A 110 -6.161 1.706 -18.538 1.00 0.80 N ATOM 1971 CA PRO A 110 -5.100 0.833 -18.033 1.00 0.78 C ATOM 1972 C PRO A 110 -3.701 1.286 -18.445 1.00 0.86 C ATOM 1973 O PRO A 110 -2.723 0.569 -18.249 1.00 0.90 O ATOM 1974 CB PRO A 110 -5.440 -0.514 -18.668 1.00 0.80 C ATOM 1975 CG PRO A 110 -6.148 -0.170 -19.926 1.00 0.84 C ATOM 1976 CD PRO A 110 -6.920 1.075 -19.631 1.00 0.83 C ATOM 0 HA PRO A 110 -5.067 0.821 -16.944 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -4.540 -1.096 -18.867 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.069 -1.114 -18.011 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -5.442 -0.009 -20.741 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -6.812 -0.978 -20.235 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -6.980 1.725 -20.504 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -7.943 0.850 -19.330 1.00 0.83 H new ATOM 1984 N THR A 111 -3.612 2.468 -19.025 1.00 0.93 N ATOM 1985 CA THR A 111 -2.330 3.054 -19.368 1.00 1.05 C ATOM 1986 C THR A 111 -1.835 3.937 -18.231 1.00 0.94 C ATOM 1987 O THR A 111 -0.635 4.170 -18.072 1.00 0.98 O ATOM 1988 CB THR A 111 -2.444 3.889 -20.653 1.00 1.30 C ATOM 1989 OG1 THR A 111 -3.488 4.860 -20.506 1.00 1.33 O ATOM 1990 CG2 THR A 111 -2.747 2.999 -21.843 1.00 1.47 C ATOM 0 H THR A 111 -4.417 3.044 -19.270 1.00 0.93 H new ATOM 0 HA THR A 111 -1.619 2.245 -19.533 1.00 1.05 H new ATOM 0 HB THR A 111 -1.493 4.393 -20.825 1.00 1.30 H new ATOM 0 HG1 THR A 111 -3.558 5.392 -21.326 1.00 1.33 H new ATOM 0 HG21 THR A 111 -2.824 3.609 -22.743 1.00 1.47 H new ATOM 0 HG22 THR A 111 -1.946 2.270 -21.966 1.00 1.47 H new ATOM 0 HG23 THR A 111 -3.689 2.477 -21.677 1.00 1.47 H new ATOM 1998 N ASP A 112 -2.778 4.398 -17.420 1.00 0.86 N ATOM 1999 CA ASP A 112 -2.485 5.330 -16.338 1.00 0.86 C ATOM 2000 C ASP A 112 -2.602 4.616 -14.993 1.00 0.79 C ATOM 2001 O ASP A 112 -3.262 5.085 -14.065 1.00 1.18 O ATOM 2002 CB ASP A 112 -3.454 6.516 -16.413 1.00 1.05 C ATOM 2003 CG ASP A 112 -3.134 7.617 -15.419 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -3.949 7.861 -14.512 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -2.047 8.224 -15.527 1.00 1.40 O ATOM 0 H ASP A 112 -3.762 4.139 -17.492 1.00 0.86 H new ATOM 0 HA ASP A 112 -1.466 5.704 -16.438 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -3.434 6.929 -17.421 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -4.468 6.159 -16.235 1.00 1.05 H new ATOM 2010 N VAL A 113 -1.997 3.441 -14.925 1.00 0.66 N ATOM 2011 CA VAL A 113 -2.005 2.635 -13.718 1.00 0.68 C ATOM 2012 C VAL A 113 -1.151 3.249 -12.614 1.00 0.60 C ATOM 2013 O VAL A 113 -0.577 4.324 -12.775 1.00 0.79 O ATOM 2014 CB VAL A 113 -1.504 1.213 -14.009 1.00 0.86 C ATOM 2015 CG1 VAL A 113 -2.297 0.599 -15.144 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -0.023 1.211 -14.329 1.00 1.23 C ATOM 0 H VAL A 113 -1.488 3.021 -15.703 1.00 0.66 H new ATOM 0 HA VAL A 113 -3.039 2.598 -13.374 1.00 0.68 H new ATOM 0 HB VAL A 113 -1.652 0.610 -13.113 1.00 0.86 H new ATOM 0 HG11 VAL A 113 -1.931 -0.409 -15.340 1.00 1.60 H new ATOM 0 HG12 VAL A 113 -3.351 0.556 -14.870 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -2.180 1.208 -16.041 1.00 1.60 H new ATOM 0 HG21 VAL A 113 0.304 0.191 -14.531 1.00 1.23 H new ATOM 0 HG22 VAL A 113 0.161 1.831 -15.206 1.00 1.23 H new ATOM 0 HG23 VAL A 113 0.533 1.609 -13.480 1.00 1.23 H new ATOM 2026 N GLU A 114 -1.093 2.561 -11.489 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.260 2.970 -10.371 1.00 0.47 C ATOM 2028 C GLU A 114 0.110 1.748 -9.543 1.00 0.44 C ATOM 2029 O GLU A 114 -0.691 0.826 -9.405 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.998 3.998 -9.516 1.00 0.64 C ATOM 2031 CG GLU A 114 -0.261 4.400 -8.252 1.00 0.96 C ATOM 2032 CD GLU A 114 -0.979 5.487 -7.486 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -2.050 5.202 -6.914 1.00 2.78 O ATOM 2034 OE2 GLU A 114 -0.473 6.633 -7.462 1.00 2.10 O ATOM 0 H GLU A 114 -1.621 1.704 -11.323 1.00 0.45 H new ATOM 0 HA GLU A 114 0.653 3.432 -10.746 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -1.180 4.890 -10.116 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.972 3.594 -9.242 1.00 0.64 H new ATOM 0 HG2 GLU A 114 -0.141 3.526 -7.611 1.00 0.96 H new ATOM 0 HG3 GLU A 114 0.740 4.744 -8.512 1.00 0.96 H new ATOM 2041 N THR A 115 1.321 1.719 -9.017 1.00 0.45 N ATOM 2042 CA THR A 115 1.781 0.561 -8.273 1.00 0.45 C ATOM 2043 C THR A 115 2.651 0.968 -7.088 1.00 0.44 C ATOM 2044 O THR A 115 3.461 1.891 -7.180 1.00 0.51 O ATOM 2045 CB THR A 115 2.572 -0.396 -9.188 1.00 0.49 C ATOM 2046 OG1 THR A 115 1.808 -0.669 -10.373 1.00 0.53 O ATOM 2047 CG2 THR A 115 2.887 -1.706 -8.479 1.00 0.53 C ATOM 0 H THR A 115 1.999 2.478 -9.090 1.00 0.45 H new ATOM 0 HA THR A 115 0.897 0.049 -7.893 1.00 0.45 H new ATOM 0 HB THR A 115 3.513 0.087 -9.451 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.312 -1.276 -10.955 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.445 -2.358 -9.151 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.485 -1.504 -7.590 1.00 0.53 H new ATOM 0 HG23 THR A 115 1.957 -2.195 -8.188 1.00 0.53 H new ATOM 2055 N TYR A 116 2.462 0.268 -5.982 1.00 0.41 N ATOM 2056 CA TYR A 116 3.296 0.447 -4.803 1.00 0.43 C ATOM 2057 C TYR A 116 3.986 -0.876 -4.531 1.00 0.38 C ATOM 2058 O TYR A 116 3.532 -1.913 -5.024 1.00 0.39 O ATOM 2059 CB TYR A 116 2.476 0.846 -3.572 1.00 0.54 C ATOM 2060 CG TYR A 116 1.240 1.667 -3.862 1.00 0.57 C ATOM 2061 CD1 TYR A 116 1.314 2.888 -4.520 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.008 1.213 -3.465 1.00 0.80 C ATOM 2063 CE1 TYR A 116 0.177 3.629 -4.778 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.149 1.946 -3.717 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.052 3.153 -4.374 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.194 3.883 -4.638 1.00 0.96 O ATOM 0 H TYR A 116 1.732 -0.436 -5.875 1.00 0.41 H new ATOM 0 HA TYR A 116 4.009 1.249 -4.992 1.00 0.43 H new ATOM 0 HB2 TYR A 116 2.176 -0.060 -3.046 1.00 0.54 H new ATOM 0 HB3 TYR A 116 3.117 1.410 -2.895 1.00 0.54 H new ATOM 0 HD1 TYR A 116 2.276 3.264 -4.835 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.089 0.268 -2.949 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.251 4.575 -5.293 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.113 1.576 -3.401 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.262 4.047 -5.602 1.00 0.96 H new ATOM 2076 N GLU A 117 5.047 -0.879 -3.742 1.00 0.37 N ATOM 2077 CA GLU A 117 5.746 -2.108 -3.431 1.00 0.35 C ATOM 2078 C GLU A 117 6.034 -2.124 -1.936 1.00 0.34 C ATOM 2079 O GLU A 117 6.633 -1.188 -1.405 1.00 0.44 O ATOM 2080 CB GLU A 117 7.056 -2.218 -4.220 1.00 0.44 C ATOM 2081 CG GLU A 117 6.904 -1.997 -5.716 1.00 0.92 C ATOM 2082 CD GLU A 117 8.187 -2.256 -6.481 1.00 0.83 C ATOM 2083 OE1 GLU A 117 9.036 -1.346 -6.548 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.358 -3.374 -7.015 1.00 1.18 O ATOM 0 H GLU A 117 5.440 -0.044 -3.307 1.00 0.37 H new ATOM 0 HA GLU A 117 5.124 -2.958 -3.711 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.766 -1.490 -3.827 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.486 -3.205 -4.052 1.00 0.44 H new ATOM 0 HG2 GLU A 117 6.120 -2.651 -6.098 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.579 -0.972 -5.896 1.00 0.92 H new ATOM 2091 N TYR A 118 5.582 -3.162 -1.260 1.00 0.29 N ATOM 2092 CA TYR A 118 5.711 -3.259 0.183 1.00 0.29 C ATOM 2093 C TYR A 118 6.973 -4.017 0.551 1.00 0.31 C ATOM 2094 O TYR A 118 7.117 -5.196 0.232 1.00 0.41 O ATOM 2095 CB TYR A 118 4.479 -3.942 0.783 1.00 0.32 C ATOM 2096 CG TYR A 118 3.203 -3.149 0.598 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.627 -2.477 1.665 1.00 0.50 C ATOM 2098 CD2 TYR A 118 2.583 -3.049 -0.644 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.480 -1.734 1.501 1.00 0.58 C ATOM 2100 CE2 TYR A 118 1.439 -2.315 -0.808 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.895 -1.661 0.262 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.232 -0.926 0.080 1.00 0.60 O ATOM 0 H TYR A 118 5.116 -3.960 -1.692 1.00 0.29 H new ATOM 0 HA TYR A 118 5.782 -2.252 0.595 1.00 0.29 H new ATOM 0 HB2 TYR A 118 4.358 -4.924 0.325 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.646 -4.105 1.848 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.086 -2.537 2.641 1.00 0.50 H new ATOM 0 HD2 TYR A 118 3.012 -3.560 -1.494 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.044 -1.213 2.341 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.969 -2.253 -1.778 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.631 -1.148 -0.787 1.00 0.60 H new ATOM 2112 N ARG A 119 7.889 -3.326 1.206 1.00 0.31 N ATOM 2113 CA ARG A 119 9.163 -3.903 1.595 1.00 0.35 C ATOM 2114 C ARG A 119 9.329 -3.847 3.105 1.00 0.35 C ATOM 2115 O ARG A 119 8.694 -3.037 3.774 1.00 0.42 O ATOM 2116 CB ARG A 119 10.305 -3.136 0.925 1.00 0.46 C ATOM 2117 CG ARG A 119 10.230 -3.128 -0.591 1.00 1.14 C ATOM 2118 CD ARG A 119 11.327 -2.270 -1.195 1.00 1.30 C ATOM 2119 NE ARG A 119 11.188 -0.859 -0.833 1.00 1.83 N ATOM 2120 CZ ARG A 119 12.060 0.087 -1.185 1.00 2.50 C ATOM 2121 NH1 ARG A 119 13.151 -0.232 -1.869 1.00 2.76 N ATOM 2122 NH2 ARG A 119 11.842 1.356 -0.850 1.00 3.41 N ATOM 0 H ARG A 119 7.771 -2.351 1.483 1.00 0.31 H new ATOM 0 HA ARG A 119 9.188 -4.945 1.275 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.300 -2.107 1.285 1.00 0.46 H new ATOM 0 HB3 ARG A 119 11.254 -3.576 1.230 1.00 0.46 H new ATOM 0 HG2 ARG A 119 10.315 -4.148 -0.966 1.00 1.14 H new ATOM 0 HG3 ARG A 119 9.257 -2.752 -0.907 1.00 1.14 H new ATOM 0 HD2 ARG A 119 12.298 -2.635 -0.860 1.00 1.30 H new ATOM 0 HD3 ARG A 119 11.307 -2.369 -2.280 1.00 1.30 H new ATOM 0 HE ARG A 119 10.377 -0.583 -0.279 1.00 1.83 H new ATOM 0 HH11 ARG A 119 13.325 -1.203 -2.127 1.00 2.76 H new ATOM 0 HH12 ARG A 119 13.816 0.494 -2.137 1.00 2.76 H new ATOM 0 HH21 ARG A 119 11.006 1.608 -0.322 1.00 3.41 H new ATOM 0 HH22 ARG A 119 12.511 2.077 -1.121 1.00 3.41 H new ATOM 2136 N ARG A 120 10.168 -4.712 3.643 1.00 0.36 N ATOM 2137 CA ARG A 120 10.488 -4.672 5.060 1.00 0.41 C ATOM 2138 C ARG A 120 11.850 -4.036 5.273 1.00 0.46 C ATOM 2139 O ARG A 120 12.774 -4.252 4.485 1.00 0.63 O ATOM 2140 CB ARG A 120 10.475 -6.078 5.668 1.00 0.49 C ATOM 2141 CG ARG A 120 9.082 -6.636 5.913 1.00 1.06 C ATOM 2142 CD ARG A 120 8.344 -5.858 6.995 1.00 0.97 C ATOM 2143 NE ARG A 120 9.047 -5.899 8.281 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.458 -5.712 9.464 1.00 1.56 C ATOM 2145 NH1 ARG A 120 7.145 -5.541 9.544 1.00 1.62 N ATOM 2146 NH2 ARG A 120 9.182 -5.728 10.573 1.00 1.96 N ATOM 0 H ARG A 120 10.641 -5.451 3.122 1.00 0.36 H new ATOM 0 HA ARG A 120 9.727 -4.072 5.559 1.00 0.41 H new ATOM 0 HB2 ARG A 120 11.014 -6.754 5.004 1.00 0.49 H new ATOM 0 HB3 ARG A 120 11.018 -6.059 6.613 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.509 -6.603 4.986 1.00 1.06 H new ATOM 0 HG3 ARG A 120 9.156 -7.684 6.205 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.227 -4.821 6.679 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.342 -6.269 7.117 1.00 0.97 H new ATOM 0 HE ARG A 120 10.050 -6.082 8.271 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.577 -5.552 8.697 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.704 -5.399 10.453 1.00 1.62 H new ATOM 0 HH21 ARG A 120 10.189 -5.883 10.523 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.733 -5.585 11.477 1.00 1.96 H new ATOM 2160 N ASP A 121 11.958 -3.224 6.314 1.00 0.49 N ATOM 2161 CA ASP A 121 13.237 -2.653 6.707 1.00 0.59 C ATOM 2162 C ASP A 121 13.326 -2.600 8.222 1.00 0.66 C ATOM 2163 O ASP A 121 12.928 -1.616 8.850 1.00 1.08 O ATOM 2164 CB ASP A 121 13.419 -1.256 6.112 1.00 0.67 C ATOM 2165 CG ASP A 121 14.856 -0.786 6.182 1.00 0.82 C ATOM 2166 OD1 ASP A 121 15.693 -1.314 5.419 1.00 0.96 O ATOM 2167 OD2 ASP A 121 15.159 0.115 6.994 1.00 0.88 O ATOM 0 H ASP A 121 11.173 -2.945 6.903 1.00 0.49 H new ATOM 0 HA ASP A 121 14.036 -3.286 6.321 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.090 -1.260 5.073 1.00 0.67 H new ATOM 0 HB3 ASP A 121 12.782 -0.550 6.645 1.00 0.67 H new ATOM 2172 N GLY A 122 13.830 -3.676 8.806 1.00 0.73 N ATOM 2173 CA GLY A 122 13.866 -3.784 10.248 1.00 0.83 C ATOM 2174 C GLY A 122 12.478 -3.996 10.812 1.00 0.78 C ATOM 2175 O GLY A 122 11.857 -5.026 10.564 1.00 0.92 O ATOM 0 H GLY A 122 14.215 -4.477 8.306 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.511 -4.614 10.538 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.301 -2.879 10.673 1.00 0.83 H new ATOM 2179 N ASP A 123 11.980 -3.015 11.546 1.00 0.70 N ATOM 2180 CA ASP A 123 10.626 -3.077 12.083 1.00 0.78 C ATOM 2181 C ASP A 123 9.713 -2.113 11.335 1.00 0.64 C ATOM 2182 O ASP A 123 8.585 -1.852 11.754 1.00 0.75 O ATOM 2183 CB ASP A 123 10.616 -2.761 13.586 1.00 0.98 C ATOM 2184 CG ASP A 123 11.178 -1.391 13.912 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.392 -0.479 14.249 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.415 -1.223 13.848 1.00 2.31 O ATOM 0 H ASP A 123 12.491 -2.165 11.785 1.00 0.70 H new ATOM 0 HA ASP A 123 10.254 -4.092 11.945 1.00 0.78 H new ATOM 0 HB2 ASP A 123 9.593 -2.825 13.957 1.00 0.98 H new ATOM 0 HB3 ASP A 123 11.195 -3.519 14.114 1.00 0.98 H new ATOM 2191 N TYR A 124 10.201 -1.600 10.211 1.00 0.48 N ATOM 2192 CA TYR A 124 9.440 -0.654 9.410 1.00 0.36 C ATOM 2193 C TYR A 124 8.923 -1.305 8.138 1.00 0.33 C ATOM 2194 O TYR A 124 9.616 -2.113 7.510 1.00 0.39 O ATOM 2195 CB TYR A 124 10.306 0.556 9.038 1.00 0.32 C ATOM 2196 CG TYR A 124 10.684 1.432 10.211 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.806 1.153 10.979 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.919 2.542 10.544 1.00 0.49 C ATOM 2199 CE1 TYR A 124 12.154 1.954 12.048 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.261 3.349 11.611 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.378 3.050 12.360 1.00 0.56 C ATOM 2202 OH TYR A 124 11.717 3.849 13.427 1.00 0.67 O ATOM 0 H TYR A 124 11.122 -1.825 9.835 1.00 0.48 H new ATOM 0 HA TYR A 124 8.592 -0.325 10.010 1.00 0.36 H new ATOM 0 HB2 TYR A 124 11.217 0.202 8.555 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.771 1.160 8.305 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.416 0.296 10.736 1.00 0.46 H new ATOM 0 HD2 TYR A 124 9.042 2.778 9.959 1.00 0.49 H new ATOM 0 HE1 TYR A 124 13.029 1.723 12.637 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.656 4.209 11.857 1.00 0.58 H new ATOM 0 HH TYR A 124 11.067 4.578 13.509 1.00 0.67 H new ATOM 2212 N LEU A 125 7.698 -0.961 7.772 1.00 0.30 N ATOM 2213 CA LEU A 125 7.132 -1.331 6.491 1.00 0.30 C ATOM 2214 C LEU A 125 7.431 -0.199 5.514 1.00 0.27 C ATOM 2215 O LEU A 125 6.994 0.933 5.709 1.00 0.31 O ATOM 2216 CB LEU A 125 5.612 -1.568 6.658 1.00 0.36 C ATOM 2217 CG LEU A 125 4.807 -2.033 5.425 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.433 -0.860 4.528 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.569 -3.090 4.637 1.00 0.88 C ATOM 0 H LEU A 125 7.068 -0.415 8.360 1.00 0.30 H new ATOM 0 HA LEU A 125 7.564 -2.255 6.107 1.00 0.30 H new ATOM 0 HB2 LEU A 125 5.475 -2.310 7.444 1.00 0.36 H new ATOM 0 HB3 LEU A 125 5.167 -0.639 7.015 1.00 0.36 H new ATOM 0 HG LEU A 125 3.884 -2.482 5.791 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.867 -1.224 3.670 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.824 -0.152 5.090 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.339 -0.364 4.181 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.977 -3.398 3.775 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.518 -2.676 4.297 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.758 -3.954 5.275 1.00 0.88 H new ATOM 2231 N VAL A 126 8.186 -0.498 4.478 1.00 0.29 N ATOM 2232 CA VAL A 126 8.667 0.533 3.581 1.00 0.34 C ATOM 2233 C VAL A 126 8.006 0.400 2.226 1.00 0.36 C ATOM 2234 O VAL A 126 8.128 -0.625 1.556 1.00 0.43 O ATOM 2235 CB VAL A 126 10.201 0.491 3.416 1.00 0.41 C ATOM 2236 CG1 VAL A 126 10.670 1.578 2.455 1.00 0.46 C ATOM 2237 CG2 VAL A 126 10.884 0.642 4.764 1.00 0.47 C ATOM 0 H VAL A 126 8.480 -1.444 4.236 1.00 0.29 H new ATOM 0 HA VAL A 126 8.406 1.493 4.026 1.00 0.34 H new ATOM 0 HB VAL A 126 10.474 -0.477 2.996 1.00 0.41 H new ATOM 0 HG11 VAL A 126 11.754 1.531 2.353 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.207 1.426 1.480 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.385 2.555 2.844 1.00 0.46 H new ATOM 0 HG21 VAL A 126 11.965 0.610 4.630 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.602 1.596 5.210 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.576 -0.171 5.421 1.00 0.47 H new ATOM 2247 N MET A 127 7.309 1.440 1.831 1.00 0.38 N ATOM 2248 CA MET A 127 6.611 1.449 0.565 1.00 0.46 C ATOM 2249 C MET A 127 7.485 2.055 -0.517 1.00 0.33 C ATOM 2250 O MET A 127 8.146 3.065 -0.295 1.00 0.33 O ATOM 2251 CB MET A 127 5.308 2.229 0.696 1.00 0.65 C ATOM 2252 CG MET A 127 4.669 2.582 -0.632 1.00 0.87 C ATOM 2253 SD MET A 127 2.954 3.084 -0.456 1.00 1.08 S ATOM 2254 CE MET A 127 2.193 1.495 -0.157 1.00 0.66 C ATOM 0 H MET A 127 7.210 2.298 2.373 1.00 0.38 H new ATOM 0 HA MET A 127 6.379 0.422 0.283 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.602 1.642 1.284 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.499 3.147 1.252 1.00 0.65 H new ATOM 0 HG2 MET A 127 5.234 3.388 -1.101 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.726 1.722 -1.299 1.00 0.87 H new ATOM 0 HE1 MET A 127 1.299 1.398 -0.773 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.896 0.701 -0.410 1.00 0.66 H new ATOM 0 HE3 MET A 127 1.919 1.415 0.895 1.00 0.66 H new ATOM 2264 N LYS A 128 7.493 1.429 -1.678 1.00 0.33 N ATOM 2265 CA LYS A 128 8.257 1.922 -2.807 1.00 0.35 C ATOM 2266 C LYS A 128 7.313 2.216 -3.963 1.00 0.35 C ATOM 2267 O LYS A 128 6.644 1.321 -4.470 1.00 0.44 O ATOM 2268 CB LYS A 128 9.307 0.890 -3.225 1.00 0.55 C ATOM 2269 CG LYS A 128 10.086 1.263 -4.477 1.00 0.82 C ATOM 2270 CD LYS A 128 11.040 2.419 -4.232 1.00 0.99 C ATOM 2271 CE LYS A 128 11.843 2.742 -5.484 1.00 1.42 C ATOM 2272 NZ LYS A 128 12.597 1.561 -5.990 1.00 2.20 N ATOM 0 H LYS A 128 6.974 0.571 -1.864 1.00 0.33 H new ATOM 0 HA LYS A 128 8.773 2.839 -2.523 1.00 0.35 H new ATOM 0 HB2 LYS A 128 10.009 0.749 -2.403 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.813 -0.068 -3.390 1.00 0.55 H new ATOM 0 HG2 LYS A 128 10.648 0.397 -4.825 1.00 0.82 H new ATOM 0 HG3 LYS A 128 9.389 1.531 -5.271 1.00 0.82 H new ATOM 0 HD2 LYS A 128 10.477 3.299 -3.920 1.00 0.99 H new ATOM 0 HD3 LYS A 128 11.718 2.168 -3.416 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.170 3.102 -6.262 1.00 1.42 H new ATOM 0 HE3 LYS A 128 12.541 3.551 -5.267 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 13.326 1.876 -6.661 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 13.049 1.070 -5.192 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 11.942 0.911 -6.470 1.00 2.20 H new ATOM 2286 N MET A 129 7.239 3.476 -4.344 1.00 0.36 N ATOM 2287 CA MET A 129 6.374 3.900 -5.433 1.00 0.41 C ATOM 2288 C MET A 129 7.227 4.592 -6.483 1.00 0.35 C ATOM 2289 O MET A 129 8.082 5.404 -6.140 1.00 0.40 O ATOM 2290 CB MET A 129 5.302 4.861 -4.901 1.00 0.49 C ATOM 2291 CG MET A 129 4.705 4.421 -3.574 1.00 1.02 C ATOM 2292 SD MET A 129 3.958 5.771 -2.634 1.00 1.11 S ATOM 2293 CE MET A 129 2.496 6.111 -3.605 1.00 0.50 C ATOM 0 H MET A 129 7.771 4.232 -3.913 1.00 0.36 H new ATOM 0 HA MET A 129 5.874 3.038 -5.875 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.739 5.853 -4.784 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.505 4.949 -5.639 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.950 3.658 -3.760 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.485 3.957 -2.970 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.336 7.188 -3.657 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.627 5.714 -4.612 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.632 5.638 -3.139 1.00 0.50 H new ATOM 2303 N SER A 130 7.039 4.258 -7.746 1.00 0.34 N ATOM 2304 CA SER A 130 7.823 4.883 -8.797 1.00 0.33 C ATOM 2305 C SER A 130 6.982 5.159 -10.035 1.00 0.33 C ATOM 2306 O SER A 130 6.268 4.285 -10.529 1.00 0.38 O ATOM 2307 CB SER A 130 9.035 4.018 -9.148 1.00 0.39 C ATOM 2308 OG SER A 130 8.673 2.654 -9.305 1.00 1.06 O ATOM 0 H SER A 130 6.360 3.567 -8.067 1.00 0.34 H new ATOM 0 HA SER A 130 8.177 5.843 -8.421 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.489 4.383 -10.069 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.787 4.108 -8.364 1.00 0.39 H new ATOM 0 HG SER A 130 9.469 2.128 -9.530 1.00 1.06 H new ATOM 2314 N TRP A 131 7.063 6.388 -10.510 1.00 0.32 N ATOM 2315 CA TRP A 131 6.345 6.798 -11.704 1.00 0.34 C ATOM 2316 C TRP A 131 7.170 7.798 -12.490 1.00 0.34 C ATOM 2317 O TRP A 131 7.663 8.776 -11.929 1.00 0.33 O ATOM 2318 CB TRP A 131 4.996 7.410 -11.327 1.00 0.36 C ATOM 2319 CG TRP A 131 4.055 7.525 -12.485 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.737 8.654 -13.176 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.317 6.459 -13.089 1.00 0.47 C ATOM 2322 NE1 TRP A 131 2.842 8.357 -14.173 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.569 7.018 -14.141 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.214 5.088 -12.843 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 1.731 6.252 -14.947 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.383 4.330 -13.641 1.00 0.73 C ATOM 2327 CH2 TRP A 131 1.651 4.913 -14.685 1.00 0.76 C ATOM 0 H TRP A 131 7.624 7.126 -10.083 1.00 0.32 H new ATOM 0 HA TRP A 131 6.169 5.920 -12.325 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.533 6.801 -10.550 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.160 8.400 -10.901 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.131 9.638 -12.970 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.445 9.027 -14.831 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.775 4.630 -12.042 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.165 6.700 -15.750 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.295 3.269 -13.459 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.011 4.292 -15.294 1.00 0.76 H new ATOM 2338 N LYS A 132 7.313 7.546 -13.788 1.00 0.37 N ATOM 2339 CA LYS A 132 8.122 8.383 -14.669 1.00 0.40 C ATOM 2340 C LYS A 132 9.525 8.596 -14.097 1.00 0.39 C ATOM 2341 O LYS A 132 10.048 9.714 -14.086 1.00 0.42 O ATOM 2342 CB LYS A 132 7.440 9.731 -14.926 1.00 0.44 C ATOM 2343 CG LYS A 132 6.086 9.617 -15.611 1.00 0.68 C ATOM 2344 CD LYS A 132 5.492 10.987 -15.887 1.00 1.22 C ATOM 2345 CE LYS A 132 4.076 10.890 -16.431 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.011 10.172 -17.734 1.00 1.96 N ATOM 0 H LYS A 132 6.872 6.756 -14.259 1.00 0.37 H new ATOM 0 HA LYS A 132 8.219 7.860 -15.620 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.313 10.250 -13.976 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.096 10.348 -15.540 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.194 9.070 -16.547 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.405 9.043 -14.983 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.489 11.573 -14.968 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.120 11.518 -16.602 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.446 10.376 -15.705 1.00 1.43 H new ATOM 0 HE3 LYS A 132 3.668 11.893 -16.553 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 3.039 10.207 -18.102 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 4.655 10.626 -18.413 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.294 9.180 -17.598 1.00 1.96 H new ATOM 2360 N GLY A 133 10.117 7.514 -13.604 1.00 0.40 N ATOM 2361 CA GLY A 133 11.453 7.579 -13.039 1.00 0.42 C ATOM 2362 C GLY A 133 11.469 8.093 -11.609 1.00 0.40 C ATOM 2363 O GLY A 133 12.412 7.832 -10.861 1.00 0.53 O ATOM 0 H GLY A 133 9.692 6.587 -13.586 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.902 6.586 -13.067 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.073 8.227 -13.659 1.00 0.42 H new ATOM 2367 N VAL A 134 10.426 8.817 -11.225 1.00 0.35 N ATOM 2368 CA VAL A 134 10.352 9.403 -9.897 1.00 0.34 C ATOM 2369 C VAL A 134 10.040 8.329 -8.867 1.00 0.36 C ATOM 2370 O VAL A 134 8.925 7.806 -8.821 1.00 0.40 O ATOM 2371 CB VAL A 134 9.282 10.506 -9.807 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.344 11.198 -8.454 1.00 0.38 C ATOM 2373 CG2 VAL A 134 9.442 11.513 -10.936 1.00 0.43 C ATOM 0 H VAL A 134 9.619 9.012 -11.817 1.00 0.35 H new ATOM 0 HA VAL A 134 11.324 9.853 -9.694 1.00 0.34 H new ATOM 0 HB VAL A 134 8.302 10.040 -9.911 1.00 0.38 H new ATOM 0 HG11 VAL A 134 8.581 11.975 -8.407 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.168 10.468 -7.664 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.328 11.647 -8.320 1.00 0.38 H new ATOM 0 HG21 VAL A 134 8.674 12.282 -10.850 1.00 0.43 H new ATOM 0 HG22 VAL A 134 10.427 11.976 -10.874 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.340 11.004 -11.895 1.00 0.43 H new ATOM 2383 N SER A 135 11.030 7.983 -8.067 1.00 0.38 N ATOM 2384 CA SER A 135 10.868 6.979 -7.057 1.00 0.42 C ATOM 2385 C SER A 135 10.713 7.610 -5.681 1.00 0.40 C ATOM 2386 O SER A 135 11.427 8.551 -5.327 1.00 0.51 O ATOM 2387 CB SER A 135 12.077 6.076 -7.071 1.00 0.50 C ATOM 2388 OG SER A 135 12.558 5.893 -8.395 1.00 1.14 O ATOM 0 H SER A 135 11.963 8.394 -8.106 1.00 0.38 H new ATOM 0 HA SER A 135 9.966 6.405 -7.268 1.00 0.42 H new ATOM 0 HB2 SER A 135 12.864 6.505 -6.450 1.00 0.50 H new ATOM 0 HB3 SER A 135 11.819 5.110 -6.637 1.00 0.50 H new ATOM 0 HG SER A 135 13.343 5.306 -8.380 1.00 1.14 H new ATOM 2394 N THR A 136 9.788 7.079 -4.922 1.00 0.35 N ATOM 2395 CA THR A 136 9.518 7.556 -3.582 1.00 0.34 C ATOM 2396 C THR A 136 9.376 6.379 -2.622 1.00 0.31 C ATOM 2397 O THR A 136 8.744 5.370 -2.949 1.00 0.34 O ATOM 2398 CB THR A 136 8.241 8.437 -3.538 1.00 0.38 C ATOM 2399 OG1 THR A 136 7.967 8.849 -2.195 1.00 0.40 O ATOM 2400 CG2 THR A 136 7.034 7.702 -4.090 1.00 0.39 C ATOM 0 H THR A 136 9.197 6.301 -5.214 1.00 0.35 H new ATOM 0 HA THR A 136 10.362 8.173 -3.272 1.00 0.34 H new ATOM 0 HB THR A 136 8.429 9.311 -4.162 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.804 8.886 -1.687 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.160 8.351 -4.042 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.222 7.421 -5.126 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.852 6.805 -3.498 1.00 0.39 H new ATOM 2408 N SER A 137 9.996 6.494 -1.461 1.00 0.33 N ATOM 2409 CA SER A 137 9.869 5.482 -0.431 1.00 0.32 C ATOM 2410 C SER A 137 9.195 6.073 0.797 1.00 0.31 C ATOM 2411 O SER A 137 9.767 6.915 1.490 1.00 0.40 O ATOM 2412 CB SER A 137 11.237 4.903 -0.061 1.00 0.39 C ATOM 2413 OG SER A 137 11.847 4.283 -1.180 1.00 0.79 O ATOM 0 H SER A 137 10.594 7.281 -1.209 1.00 0.33 H new ATOM 0 HA SER A 137 9.253 4.671 -0.819 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.882 5.697 0.315 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.123 4.177 0.744 1.00 0.39 H new ATOM 0 HG SER A 137 12.778 4.065 -0.966 1.00 0.79 H new ATOM 2419 N ARG A 138 7.968 5.652 1.049 1.00 0.35 N ATOM 2420 CA ARG A 138 7.253 6.107 2.225 1.00 0.44 C ATOM 2421 C ARG A 138 7.534 5.160 3.379 1.00 0.39 C ATOM 2422 O ARG A 138 7.448 3.941 3.226 1.00 0.43 O ATOM 2423 CB ARG A 138 5.748 6.195 1.964 1.00 0.63 C ATOM 2424 CG ARG A 138 5.389 6.917 0.677 1.00 1.08 C ATOM 2425 CD ARG A 138 4.013 7.555 0.767 1.00 0.88 C ATOM 2426 NE ARG A 138 4.046 8.806 1.528 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.982 9.366 2.105 1.00 1.07 C ATOM 2428 NH1 ARG A 138 1.811 8.745 2.095 1.00 1.84 N ATOM 2429 NH2 ARG A 138 3.095 10.547 2.706 1.00 1.63 N ATOM 0 H ARG A 138 7.450 5.001 0.459 1.00 0.35 H new ATOM 0 HA ARG A 138 7.601 7.109 2.478 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.335 5.187 1.931 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.273 6.707 2.801 1.00 0.63 H new ATOM 0 HG2 ARG A 138 6.135 7.684 0.468 1.00 1.08 H new ATOM 0 HG3 ARG A 138 5.412 6.214 -0.156 1.00 1.08 H new ATOM 0 HD2 ARG A 138 3.635 7.749 -0.237 1.00 0.88 H new ATOM 0 HD3 ARG A 138 3.319 6.860 1.239 1.00 0.88 H new ATOM 0 HE ARG A 138 4.944 9.281 1.623 1.00 0.82 H new ATOM 0 HH11 ARG A 138 1.720 7.834 1.645 1.00 1.84 H new ATOM 0 HH12 ARG A 138 1.000 9.178 2.538 1.00 1.84 H new ATOM 0 HH21 ARG A 138 3.996 11.025 2.726 1.00 1.63 H new ATOM 0 HH22 ARG A 138 2.281 10.975 3.147 1.00 1.63 H new ATOM 2443 N TYR A 139 7.882 5.721 4.522 1.00 0.39 N ATOM 2444 CA TYR A 139 8.286 4.920 5.660 1.00 0.36 C ATOM 2445 C TYR A 139 7.150 4.775 6.657 1.00 0.34 C ATOM 2446 O TYR A 139 6.730 5.747 7.295 1.00 0.39 O ATOM 2447 CB TYR A 139 9.515 5.534 6.334 1.00 0.42 C ATOM 2448 CG TYR A 139 10.748 5.518 5.459 1.00 0.44 C ATOM 2449 CD1 TYR A 139 11.088 6.616 4.675 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.570 4.401 5.414 1.00 0.50 C ATOM 2451 CE1 TYR A 139 12.213 6.595 3.872 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.694 4.374 4.615 1.00 0.56 C ATOM 2453 CZ TYR A 139 13.011 5.472 3.846 1.00 0.56 C ATOM 2454 OH TYR A 139 14.130 5.444 3.049 1.00 0.64 O ATOM 0 H TYR A 139 7.893 6.728 4.686 1.00 0.39 H new ATOM 0 HA TYR A 139 8.545 3.925 5.299 1.00 0.36 H new ATOM 0 HB2 TYR A 139 9.291 6.563 6.615 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.725 4.991 7.255 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.464 7.497 4.694 1.00 0.46 H new ATOM 0 HD2 TYR A 139 11.325 3.538 6.015 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.465 7.454 3.268 1.00 0.52 H new ATOM 0 HE2 TYR A 139 13.323 3.496 4.592 1.00 0.56 H new ATOM 0 HH TYR A 139 14.581 4.580 3.149 1.00 0.64 H new ATOM 2464 N TYR A 140 6.653 3.558 6.771 1.00 0.29 N ATOM 2465 CA TYR A 140 5.609 3.237 7.720 1.00 0.27 C ATOM 2466 C TYR A 140 6.206 2.414 8.845 1.00 0.29 C ATOM 2467 O TYR A 140 6.976 1.491 8.604 1.00 0.37 O ATOM 2468 CB TYR A 140 4.483 2.433 7.053 1.00 0.27 C ATOM 2469 CG TYR A 140 3.823 3.115 5.875 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.626 3.803 6.024 1.00 0.39 C ATOM 2471 CD2 TYR A 140 4.406 3.084 4.615 1.00 0.45 C ATOM 2472 CE1 TYR A 140 2.027 4.433 4.952 1.00 0.48 C ATOM 2473 CE2 TYR A 140 3.811 3.715 3.537 1.00 0.52 C ATOM 2474 CZ TYR A 140 2.601 4.357 3.705 1.00 0.48 C ATOM 2475 OH TYR A 140 2.022 5.012 2.642 1.00 0.60 O ATOM 0 H TYR A 140 6.963 2.766 6.208 1.00 0.29 H new ATOM 0 HA TYR A 140 5.188 4.167 8.103 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.887 1.477 6.721 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.721 2.214 7.801 1.00 0.27 H new ATOM 0 HD1 TYR A 140 2.156 3.846 6.995 1.00 0.39 H new ATOM 0 HD2 TYR A 140 5.339 2.559 4.474 1.00 0.45 H new ATOM 0 HE1 TYR A 140 1.109 4.985 5.092 1.00 0.48 H new ATOM 0 HE2 TYR A 140 4.291 3.705 2.569 1.00 0.52 H new ATOM 0 HH TYR A 140 2.553 4.857 1.833 1.00 0.60 H new ATOM 2485 N LYS A 141 5.866 2.743 10.066 1.00 0.37 N ATOM 2486 CA LYS A 141 6.258 1.924 11.187 1.00 0.48 C ATOM 2487 C LYS A 141 5.024 1.232 11.697 1.00 0.45 C ATOM 2488 O LYS A 141 3.939 1.584 11.281 1.00 0.54 O ATOM 2489 CB LYS A 141 6.880 2.742 12.293 1.00 0.69 C ATOM 2490 CG LYS A 141 5.911 3.679 12.974 1.00 0.72 C ATOM 2491 CD LYS A 141 6.348 3.917 14.393 1.00 0.97 C ATOM 2492 CE LYS A 141 7.801 4.351 14.430 1.00 1.45 C ATOM 2493 NZ LYS A 141 8.336 4.417 15.814 1.00 1.92 N ATOM 0 H LYS A 141 5.320 3.570 10.309 1.00 0.37 H new ATOM 0 HA LYS A 141 7.010 1.206 10.861 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.304 2.068 13.037 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.706 3.323 11.883 1.00 0.69 H new ATOM 0 HG2 LYS A 141 5.865 4.625 12.434 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.907 3.254 12.959 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.721 4.682 14.850 1.00 0.97 H new ATOM 0 HD3 LYS A 141 6.218 3.007 14.978 1.00 0.97 H new ATOM 0 HE2 LYS A 141 8.401 3.654 13.844 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.898 5.329 13.959 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 9.331 4.718 15.788 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 7.782 5.101 16.368 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 8.270 3.478 16.257 1.00 1.92 H new ATOM 2507 N LYS A 142 5.169 0.255 12.562 1.00 0.44 N ATOM 2508 CA LYS A 142 4.005 -0.379 13.173 1.00 0.43 C ATOM 2509 C LYS A 142 3.132 0.662 13.904 1.00 0.36 C ATOM 2510 O LYS A 142 3.461 1.850 13.956 1.00 0.34 O ATOM 2511 CB LYS A 142 4.474 -1.473 14.140 1.00 0.54 C ATOM 2512 CG LYS A 142 3.403 -2.488 14.501 1.00 0.87 C ATOM 2513 CD LYS A 142 3.965 -3.590 15.380 1.00 1.30 C ATOM 2514 CE LYS A 142 2.931 -4.667 15.649 1.00 1.43 C ATOM 2515 NZ LYS A 142 3.486 -5.775 16.467 1.00 2.13 N ATOM 0 H LYS A 142 6.069 -0.121 12.862 1.00 0.44 H new ATOM 0 HA LYS A 142 3.393 -0.830 12.392 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.320 -1.997 13.695 1.00 0.54 H new ATOM 0 HB3 LYS A 142 4.836 -1.003 15.054 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.584 -1.988 15.019 1.00 0.87 H new ATOM 0 HG3 LYS A 142 2.987 -2.921 13.591 1.00 0.87 H new ATOM 0 HD2 LYS A 142 4.836 -4.033 14.898 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.305 -3.166 16.325 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.076 -4.229 16.164 1.00 1.43 H new ATOM 0 HE3 LYS A 142 2.564 -5.063 14.702 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 2.749 -6.490 16.629 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 4.286 -6.210 15.965 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 3.813 -5.402 17.381 1.00 2.13 H new ATOM 2529 N GLN A 143 1.952 0.259 14.328 1.00 0.44 N ATOM 2530 CA GLN A 143 1.243 0.994 15.362 1.00 0.53 C ATOM 2531 C GLN A 143 1.599 0.432 16.732 1.00 0.68 C ATOM 2532 O GLN A 143 0.813 -0.371 17.274 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.272 0.921 15.150 1.00 0.55 C ATOM 2534 CG GLN A 143 -0.802 1.790 14.020 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.047 3.231 14.431 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -1.958 3.881 13.922 1.00 1.34 O ATOM 2537 NE2 GLN A 143 -0.231 3.752 15.333 1.00 1.28 N ATOM 2538 OXT GLN A 143 2.672 0.785 17.257 1.00 1.19 O ATOM 0 H GLN A 143 1.465 -0.566 13.978 1.00 0.44 H new ATOM 0 HA GLN A 143 1.546 2.039 15.306 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.547 -0.115 14.952 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.768 1.211 16.076 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.091 1.772 13.194 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.734 1.362 13.649 1.00 0.63 H new ATOM 0 HE21 GLN A 143 0.515 3.184 15.735 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -0.348 4.722 15.626 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 -1.171 4.045 -0.831 1.00 0.86 C HETATM 2549 O1 OLA A1001 -2.311 3.787 -0.390 1.00 1.40 O HETATM 2550 O2 OLA A1001 -0.267 3.192 -0.864 1.00 1.48 O HETATM 2551 C2 OLA A1001 -0.856 5.455 -1.309 1.00 0.78 C HETATM 2552 C3 OLA A1001 0.079 6.186 -0.362 1.00 1.13 C HETATM 2553 C4 OLA A1001 -0.544 6.350 1.013 1.00 1.05 C HETATM 2554 C5 OLA A1001 -1.677 7.367 1.007 1.00 1.15 C HETATM 2555 C6 OLA A1001 -1.162 8.760 0.691 1.00 1.18 C HETATM 2556 C7 OLA A1001 -2.205 9.830 0.963 1.00 1.02 C HETATM 2557 C8 OLA A1001 -3.430 9.659 0.087 1.00 0.99 C HETATM 2558 C9 OLA A1001 -4.303 10.865 -0.002 1.00 0.72 C HETATM 2559 C10 OLA A1001 -5.446 10.919 -0.614 1.00 0.75 C HETATM 2560 C11 OLA A1001 -6.092 9.772 -1.321 1.00 0.92 C HETATM 2561 C12 OLA A1001 -7.009 10.170 -2.455 1.00 0.77 C HETATM 2562 C13 OLA A1001 -6.228 10.740 -3.630 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.781 9.662 -4.612 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.565 8.868 -4.143 1.00 0.70 C HETATM 2565 C16 OLA A1001 -3.360 9.760 -3.901 1.00 0.59 C HETATM 2566 C17 OLA A1001 -2.095 8.946 -3.734 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.868 9.799 -3.560 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.740 10.435 -4.436 1.00 0.40 H new HETATM 0 H182 OLA A1001 -0.981 10.422 -2.673 1.00 0.40 H new HETATM 0 H181 OLA A1001 0.007 9.159 -3.445 1.00 0.40 H new HETATM 0 H172 OLA A1001 -2.202 8.291 -2.869 1.00 0.57 H new HETATM 0 H171 OLA A1001 -1.964 8.304 -4.605 1.00 0.57 H new HETATM 0 H162 OLA A1001 -3.243 10.450 -4.736 1.00 0.59 H new HETATM 0 H161 OLA A1001 -3.526 10.364 -3.009 1.00 0.59 H new HETATM 0 H152 OLA A1001 -4.812 8.336 -3.224 1.00 0.70 H new HETATM 0 H151 OLA A1001 -4.314 8.115 -4.890 1.00 0.70 H new HETATM 0 H142 OLA A1001 -6.609 8.974 -4.783 1.00 0.88 H new HETATM 0 H141 OLA A1001 -5.551 10.129 -5.570 1.00 0.88 H new HETATM 0 H132 OLA A1001 -6.846 11.470 -4.153 1.00 0.76 H new HETATM 0 H131 OLA A1001 -5.353 11.272 -3.257 1.00 0.76 H new HETATM 0 H122 OLA A1001 -7.581 9.302 -2.784 1.00 0.77 H new HETATM 0 H121 OLA A1001 -7.727 10.910 -2.101 1.00 0.77 H new HETATM 0 H112 OLA A1001 -5.313 9.118 -1.713 1.00 0.92 H new HETATM 0 H111 OLA A1001 -6.662 9.190 -0.597 1.00 0.92 H new HETATM 0 H9 OLA A1001 -3.953 11.774 0.486 1.00 0.72 H new HETATM 0 H82 OLA A1001 -3.107 9.386 -0.917 1.00 0.99 H new HETATM 0 H81 OLA A1001 -4.021 8.827 0.469 1.00 0.99 H new HETATM 0 H72 OLA A1001 -2.500 9.791 2.012 1.00 1.02 H new HETATM 0 H71 OLA A1001 -1.769 10.814 0.790 1.00 1.02 H new HETATM 0 H62 OLA A1001 -0.273 8.961 1.288 1.00 1.18 H new HETATM 0 H61 OLA A1001 -0.861 8.806 -0.355 1.00 1.18 H new HETATM 0 H52 OLA A1001 -2.426 7.077 0.270 1.00 1.15 H new HETATM 0 H51 OLA A1001 -2.171 7.371 1.979 1.00 1.15 H new HETATM 0 H42 OLA A1001 -0.922 5.387 1.357 1.00 1.05 H new HETATM 0 H41 OLA A1001 0.221 6.664 1.723 1.00 1.05 H new HETATM 0 H32 OLA A1001 1.016 5.635 -0.276 1.00 1.13 H new HETATM 0 H31 OLA A1001 0.322 7.166 -0.772 1.00 1.13 H new HETATM 0 H22 OLA A1001 -0.404 5.408 -2.300 1.00 0.78 H new HETATM 0 H21 OLA A1001 -1.784 6.019 -1.408 1.00 0.78 H new HETATM 0 H10 OLA A1001 -5.974 11.872 -0.612 1.00 0.75 H new