USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.6!) USER MOD Single : A 4 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.8!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.11 USER MOD Single : A 7 ASN : amide:sc=-1.23e-05 X(o=-1.2e-05,f=-0.041) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -56:sc= 0.75 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.19) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -0.0131 K(o=-0.013,f=-0.77) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 28:sc= 0.39 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.146 X(o=-0.15,f=-0.64) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -57:sc= 0.00188 USER MOD Single : A 61 SER OG : rot 170:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc=-0.00135 K(o=-0.0014,f=-1.4) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.8!) USER MOD Single : A 99 THR OG1 : rot 40:sc= 0.0412 USER MOD Single : A 100 LYS NZ :NH3+ -120:sc= -0.28 (180deg=-1.8!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.975 -4.470 3.709 1.00 54.21 N ATOM 2 CA MET A 1 -1.754 -4.126 2.310 1.00 73.34 C ATOM 3 C MET A 1 -3.073 -3.790 1.618 1.00 45.22 C ATOM 4 O MET A 1 -4.037 -4.549 1.700 1.00 33.12 O ATOM 5 CB MET A 1 -1.063 -5.280 1.581 1.00 33.30 C ATOM 6 CG MET A 1 -0.663 -4.945 0.154 1.00 71.52 C ATOM 7 SD MET A 1 0.487 -6.145 -0.545 1.00 51.50 S ATOM 8 CE MET A 1 2.049 -5.502 0.050 1.00 42.13 C ATOM 0 H1 MET A 1 -1.065 -4.695 4.159 1.00 54.21 H new ATOM 0 H2 MET A 1 -2.414 -3.665 4.199 1.00 54.21 H new ATOM 0 H3 MET A 1 -2.604 -5.296 3.768 1.00 54.21 H new ATOM 0 HA MET A 1 -1.111 -3.247 2.276 1.00 73.34 H new ATOM 0 HB2 MET A 1 -0.174 -5.571 2.140 1.00 33.30 H new ATOM 0 HB3 MET A 1 -1.729 -6.143 1.570 1.00 33.30 H new ATOM 0 HG2 MET A 1 -1.557 -4.899 -0.468 1.00 71.52 H new ATOM 0 HG3 MET A 1 -0.207 -3.955 0.131 1.00 71.52 H new ATOM 0 HE1 MET A 1 2.862 -6.138 -0.300 1.00 42.13 H new ATOM 0 HE2 MET A 1 2.193 -4.489 -0.327 1.00 42.13 H new ATOM 0 HE3 MET A 1 2.044 -5.486 1.140 1.00 42.13 H new ATOM 18 N GLN A 2 -3.104 -2.647 0.939 1.00 73.11 N ATOM 19 CA GLN A 2 -4.305 -2.211 0.236 1.00 64.03 C ATOM 20 C GLN A 2 -4.028 -2.032 -1.254 1.00 43.50 C ATOM 21 O GLN A 2 -2.873 -1.976 -1.677 1.00 52.30 O ATOM 22 CB GLN A 2 -4.823 -0.902 0.831 1.00 52.23 C ATOM 23 CG GLN A 2 -3.859 0.263 0.672 1.00 70.12 C ATOM 24 CD GLN A 2 -3.986 0.947 -0.675 1.00 71.31 C ATOM 25 OE1 GLN A 2 -5.073 1.012 -1.251 1.00 52.40 O ATOM 26 NE2 GLN A 2 -2.874 1.460 -1.186 1.00 62.05 N ATOM 0 H GLN A 2 -2.313 -2.008 0.861 1.00 73.11 H new ATOM 0 HA GLN A 2 -5.066 -2.982 0.356 1.00 64.03 H new ATOM 0 HB2 GLN A 2 -5.770 -0.646 0.356 1.00 52.23 H new ATOM 0 HB3 GLN A 2 -5.028 -1.051 1.891 1.00 52.23 H new ATOM 0 HG2 GLN A 2 -4.041 0.991 1.463 1.00 70.12 H new ATOM 0 HG3 GLN A 2 -2.838 -0.096 0.798 1.00 70.12 H new ATOM 0 HE21 GLN A 2 -1.995 1.383 -0.674 1.00 62.05 H new ATOM 0 HE22 GLN A 2 -2.898 1.931 -2.090 1.00 62.05 H new ATOM 35 N GLU A 3 -5.094 -1.944 -2.043 1.00 43.23 N ATOM 36 CA GLU A 3 -4.963 -1.771 -3.485 1.00 32.03 C ATOM 37 C GLU A 3 -6.085 -0.893 -4.032 1.00 1.24 C ATOM 38 O GLU A 3 -6.958 -0.450 -3.287 1.00 14.11 O ATOM 39 CB GLU A 3 -4.978 -3.131 -4.187 1.00 32.03 C ATOM 40 CG GLU A 3 -3.620 -3.811 -4.225 1.00 4.22 C ATOM 41 CD GLU A 3 -2.673 -3.167 -5.220 1.00 54.20 C ATOM 42 OE1 GLU A 3 -3.161 -2.493 -6.151 1.00 44.35 O ATOM 43 OE2 GLU A 3 -1.446 -3.336 -5.067 1.00 21.44 O ATOM 0 H GLU A 3 -6.057 -1.990 -1.709 1.00 43.23 H new ATOM 0 HA GLU A 3 -4.011 -1.278 -3.681 1.00 32.03 H new ATOM 0 HB2 GLU A 3 -5.688 -3.784 -3.680 1.00 32.03 H new ATOM 0 HB3 GLU A 3 -5.338 -3.000 -5.207 1.00 32.03 H new ATOM 0 HG2 GLU A 3 -3.174 -3.779 -3.231 1.00 4.22 H new ATOM 0 HG3 GLU A 3 -3.751 -4.862 -4.482 1.00 4.22 H new ATOM 50 N GLN A 4 -6.051 -0.645 -5.337 1.00 71.34 N ATOM 51 CA GLN A 4 -7.064 0.182 -5.983 1.00 60.31 C ATOM 52 C GLN A 4 -7.740 -0.575 -7.122 1.00 21.44 C ATOM 53 O GLN A 4 -7.170 -1.512 -7.682 1.00 12.14 O ATOM 54 CB GLN A 4 -6.436 1.472 -6.514 1.00 64.44 C ATOM 55 CG GLN A 4 -5.396 1.241 -7.599 1.00 52.13 C ATOM 56 CD GLN A 4 -5.177 2.464 -8.468 1.00 14.24 C ATOM 57 OE1 GLN A 4 -5.868 3.473 -8.324 1.00 52.51 O ATOM 58 NE2 GLN A 4 -4.213 2.380 -9.376 1.00 11.31 N ATOM 0 H GLN A 4 -5.334 -1.004 -5.967 1.00 71.34 H new ATOM 0 HA GLN A 4 -7.820 0.433 -5.239 1.00 60.31 H new ATOM 0 HB2 GLN A 4 -7.224 2.114 -6.908 1.00 64.44 H new ATOM 0 HB3 GLN A 4 -5.972 2.008 -5.686 1.00 64.44 H new ATOM 0 HG2 GLN A 4 -4.451 0.955 -7.136 1.00 52.13 H new ATOM 0 HG3 GLN A 4 -5.710 0.406 -8.226 1.00 52.13 H new ATOM 0 HE21 GLN A 4 -3.665 1.524 -9.460 1.00 11.31 H new ATOM 0 HE22 GLN A 4 -4.020 3.172 -9.990 1.00 11.31 H new ATOM 67 N VAL A 5 -8.957 -0.162 -7.459 1.00 71.31 N ATOM 68 CA VAL A 5 -9.710 -0.801 -8.532 1.00 32.51 C ATOM 69 C VAL A 5 -10.407 0.234 -9.407 1.00 44.42 C ATOM 70 O VAL A 5 -10.917 1.239 -8.911 1.00 44.34 O ATOM 71 CB VAL A 5 -10.764 -1.777 -7.974 1.00 23.31 C ATOM 72 CG1 VAL A 5 -11.408 -2.569 -9.102 1.00 34.11 C ATOM 73 CG2 VAL A 5 -10.136 -2.709 -6.949 1.00 13.44 C ATOM 0 H VAL A 5 -9.443 0.612 -7.005 1.00 71.31 H new ATOM 0 HA VAL A 5 -8.992 -1.357 -9.134 1.00 32.51 H new ATOM 0 HB VAL A 5 -11.543 -1.199 -7.477 1.00 23.31 H new ATOM 0 HG11 VAL A 5 -12.150 -3.253 -8.689 1.00 34.11 H new ATOM 0 HG12 VAL A 5 -11.894 -1.884 -9.797 1.00 34.11 H new ATOM 0 HG13 VAL A 5 -10.643 -3.139 -9.630 1.00 34.11 H new ATOM 0 HG21 VAL A 5 -10.894 -3.392 -6.565 1.00 13.44 H new ATOM 0 HG22 VAL A 5 -9.337 -3.282 -7.420 1.00 13.44 H new ATOM 0 HG23 VAL A 5 -9.726 -2.122 -6.127 1.00 13.44 H new ATOM 83 N SER A 6 -10.425 -0.017 -10.712 1.00 64.11 N ATOM 84 CA SER A 6 -11.055 0.896 -11.658 1.00 74.31 C ATOM 85 C SER A 6 -12.303 0.266 -12.272 1.00 24.22 C ATOM 86 O SER A 6 -13.427 0.630 -11.931 1.00 62.22 O ATOM 87 CB SER A 6 -10.069 1.282 -12.762 1.00 31.40 C ATOM 88 OG SER A 6 -10.750 1.607 -13.962 1.00 2.51 O ATOM 0 H SER A 6 -10.010 -0.846 -11.138 1.00 64.11 H new ATOM 0 HA SER A 6 -11.351 1.794 -11.116 1.00 74.31 H new ATOM 0 HB2 SER A 6 -9.470 2.133 -12.438 1.00 31.40 H new ATOM 0 HB3 SER A 6 -9.380 0.457 -12.943 1.00 31.40 H new ATOM 0 HG SER A 6 -10.098 1.852 -14.652 1.00 2.51 H new ATOM 94 N ASN A 7 -12.093 -0.683 -13.180 1.00 52.50 N ATOM 95 CA ASN A 7 -13.199 -1.364 -13.842 1.00 71.14 C ATOM 96 C ASN A 7 -13.845 -2.386 -12.911 1.00 23.10 C ATOM 97 O ASN A 7 -13.303 -2.708 -11.854 1.00 24.53 O ATOM 98 CB ASN A 7 -12.709 -2.056 -15.116 1.00 15.40 C ATOM 99 CG ASN A 7 -12.243 -1.068 -16.167 1.00 65.04 C ATOM 100 OD1 ASN A 7 -12.969 -0.144 -16.534 1.00 60.21 O ATOM 101 ND2 ASN A 7 -11.024 -1.259 -16.659 1.00 3.51 N ATOM 0 H ASN A 7 -11.168 -0.997 -13.473 1.00 52.50 H new ATOM 0 HA ASN A 7 -13.947 -0.617 -14.106 1.00 71.14 H new ATOM 0 HB2 ASN A 7 -11.890 -2.731 -14.868 1.00 15.40 H new ATOM 0 HB3 ASN A 7 -13.513 -2.667 -15.527 1.00 15.40 H new ATOM 0 HD21 ASN A 7 -10.656 -0.627 -17.370 1.00 3.51 H new ATOM 0 HD22 ASN A 7 -10.456 -2.038 -16.326 1.00 3.51 H new ATOM 108 N VAL A 8 -15.006 -2.893 -13.312 1.00 11.41 N ATOM 109 CA VAL A 8 -15.725 -3.879 -12.515 1.00 73.10 C ATOM 110 C VAL A 8 -15.026 -5.233 -12.555 1.00 53.30 C ATOM 111 O VAL A 8 -13.979 -5.384 -13.185 1.00 15.43 O ATOM 112 CB VAL A 8 -17.175 -4.047 -13.006 1.00 35.54 C ATOM 113 CG1 VAL A 8 -17.943 -2.741 -12.866 1.00 23.14 C ATOM 114 CG2 VAL A 8 -17.196 -4.535 -14.447 1.00 74.11 C ATOM 0 H VAL A 8 -15.469 -2.637 -14.184 1.00 11.41 H new ATOM 0 HA VAL A 8 -15.737 -3.510 -11.489 1.00 73.10 H new ATOM 0 HB VAL A 8 -17.665 -4.796 -12.385 1.00 35.54 H new ATOM 0 HG11 VAL A 8 -18.965 -2.880 -13.218 1.00 23.14 H new ATOM 0 HG12 VAL A 8 -17.958 -2.438 -11.819 1.00 23.14 H new ATOM 0 HG13 VAL A 8 -17.457 -1.967 -13.460 1.00 23.14 H new ATOM 0 HG21 VAL A 8 -18.228 -4.648 -14.778 1.00 74.11 H new ATOM 0 HG22 VAL A 8 -16.688 -3.811 -15.084 1.00 74.11 H new ATOM 0 HG23 VAL A 8 -16.686 -5.496 -14.513 1.00 74.11 H new ATOM 124 N ARG A 9 -15.614 -6.216 -11.880 1.00 3.41 N ATOM 125 CA ARG A 9 -15.046 -7.559 -11.838 1.00 14.02 C ATOM 126 C ARG A 9 -16.148 -8.614 -11.846 1.00 63.42 C ATOM 127 O ARG A 9 -17.221 -8.411 -11.280 1.00 52.31 O ATOM 128 CB ARG A 9 -14.173 -7.727 -10.593 1.00 21.22 C ATOM 129 CG ARG A 9 -13.641 -9.139 -10.408 1.00 72.51 C ATOM 130 CD ARG A 9 -14.454 -9.911 -9.381 1.00 30.41 C ATOM 131 NE ARG A 9 -14.286 -9.375 -8.034 1.00 3.14 N ATOM 132 CZ ARG A 9 -13.176 -9.522 -7.318 1.00 61.12 C ATOM 133 NH1 ARG A 9 -12.142 -10.185 -7.819 1.00 73.22 N ATOM 134 NH2 ARG A 9 -13.098 -9.004 -6.099 1.00 25.52 N ATOM 0 H ARG A 9 -16.482 -6.108 -11.355 1.00 3.41 H new ATOM 0 HA ARG A 9 -14.429 -7.695 -12.727 1.00 14.02 H new ATOM 0 HB2 ARG A 9 -13.332 -7.036 -10.653 1.00 21.22 H new ATOM 0 HB3 ARG A 9 -14.752 -7.448 -9.713 1.00 21.22 H new ATOM 0 HG2 ARG A 9 -13.664 -9.665 -11.362 1.00 72.51 H new ATOM 0 HG3 ARG A 9 -12.599 -9.098 -10.092 1.00 72.51 H new ATOM 0 HD2 ARG A 9 -15.509 -9.878 -9.655 1.00 30.41 H new ATOM 0 HD3 ARG A 9 -14.153 -10.959 -9.394 1.00 30.41 H new ATOM 0 HE ARG A 9 -15.063 -8.860 -7.620 1.00 3.14 H new ATOM 0 HH11 ARG A 9 -12.197 -10.584 -8.756 1.00 73.22 H new ATOM 0 HH12 ARG A 9 -11.291 -10.296 -7.267 1.00 73.22 H new ATOM 0 HH21 ARG A 9 -13.890 -8.492 -5.711 1.00 25.52 H new ATOM 0 HH22 ARG A 9 -12.246 -9.117 -5.550 1.00 25.52 H new ATOM 148 N ALA A 10 -15.873 -9.743 -12.493 1.00 11.13 N ATOM 149 CA ALA A 10 -16.839 -10.831 -12.574 1.00 74.31 C ATOM 150 C ALA A 10 -16.402 -12.018 -11.722 1.00 51.03 C ATOM 151 O ALA A 10 -15.290 -12.523 -11.869 1.00 4.50 O ATOM 152 CB ALA A 10 -17.032 -11.259 -14.021 1.00 23.21 C ATOM 0 H ALA A 10 -14.989 -9.927 -12.968 1.00 11.13 H new ATOM 0 HA ALA A 10 -17.790 -10.469 -12.184 1.00 74.31 H new ATOM 0 HB1 ALA A 10 -17.756 -12.072 -14.066 1.00 23.21 H new ATOM 0 HB2 ALA A 10 -17.398 -10.414 -14.605 1.00 23.21 H new ATOM 0 HB3 ALA A 10 -16.080 -11.597 -14.430 1.00 23.21 H new ATOM 158 N ARG A 11 -17.285 -12.458 -10.832 1.00 33.04 N ATOM 159 CA ARG A 11 -16.989 -13.585 -9.955 1.00 73.03 C ATOM 160 C ARG A 11 -17.785 -14.819 -10.369 1.00 10.23 C ATOM 161 O ARG A 11 -18.980 -14.922 -10.089 1.00 54.11 O ATOM 162 CB ARG A 11 -17.305 -13.225 -8.502 1.00 14.11 C ATOM 163 CG ARG A 11 -16.318 -13.805 -7.502 1.00 40.32 C ATOM 164 CD ARG A 11 -15.047 -12.972 -7.427 1.00 14.41 C ATOM 165 NE ARG A 11 -13.992 -13.651 -6.681 1.00 23.33 N ATOM 166 CZ ARG A 11 -13.996 -13.788 -5.360 1.00 54.22 C ATOM 167 NH1 ARG A 11 -14.997 -13.295 -4.643 1.00 23.42 N ATOM 168 NH2 ARG A 11 -12.999 -14.419 -4.753 1.00 12.32 N ATOM 0 H ARG A 11 -18.211 -12.052 -10.699 1.00 33.04 H new ATOM 0 HA ARG A 11 -15.927 -13.812 -10.043 1.00 73.03 H new ATOM 0 HB2 ARG A 11 -17.317 -12.140 -8.400 1.00 14.11 H new ATOM 0 HB3 ARG A 11 -18.307 -13.579 -8.258 1.00 14.11 H new ATOM 0 HG2 ARG A 11 -16.782 -13.853 -6.517 1.00 40.32 H new ATOM 0 HG3 ARG A 11 -16.068 -14.827 -7.786 1.00 40.32 H new ATOM 0 HD2 ARG A 11 -14.696 -12.755 -8.436 1.00 14.41 H new ATOM 0 HD3 ARG A 11 -15.268 -12.015 -6.954 1.00 14.41 H new ATOM 0 HE ARG A 11 -13.208 -14.042 -7.203 1.00 23.33 H new ATOM 0 HH11 ARG A 11 -15.765 -12.810 -5.106 1.00 23.42 H new ATOM 0 HH12 ARG A 11 -14.998 -13.401 -3.629 1.00 23.42 H new ATOM 0 HH21 ARG A 11 -12.228 -14.800 -5.301 1.00 12.32 H new ATOM 0 HH22 ARG A 11 -13.004 -14.523 -3.738 1.00 12.32 H new ATOM 182 N ILE A 12 -17.115 -15.754 -11.035 1.00 41.55 N ATOM 183 CA ILE A 12 -17.760 -16.981 -11.486 1.00 41.44 C ATOM 184 C ILE A 12 -17.560 -18.108 -10.479 1.00 61.23 C ATOM 185 O ILE A 12 -16.490 -18.241 -9.885 1.00 14.51 O ATOM 186 CB ILE A 12 -17.219 -17.428 -12.857 1.00 33.44 C ATOM 187 CG1 ILE A 12 -17.450 -16.336 -13.902 1.00 42.32 C ATOM 188 CG2 ILE A 12 -17.882 -18.729 -13.287 1.00 51.33 C ATOM 189 CD1 ILE A 12 -16.544 -16.452 -15.108 1.00 61.34 C ATOM 0 H ILE A 12 -16.126 -15.685 -11.274 1.00 41.55 H new ATOM 0 HA ILE A 12 -18.824 -16.765 -11.578 1.00 41.44 H new ATOM 0 HB ILE A 12 -16.146 -17.599 -12.770 1.00 33.44 H new ATOM 0 HG12 ILE A 12 -18.488 -16.374 -14.232 1.00 42.32 H new ATOM 0 HG13 ILE A 12 -17.299 -15.362 -13.437 1.00 42.32 H new ATOM 0 HG21 ILE A 12 -17.490 -19.033 -14.258 1.00 51.33 H new ATOM 0 HG22 ILE A 12 -17.672 -19.505 -12.551 1.00 51.33 H new ATOM 0 HG23 ILE A 12 -18.959 -18.581 -13.361 1.00 51.33 H new ATOM 0 HD11 ILE A 12 -16.764 -15.645 -15.807 1.00 61.34 H new ATOM 0 HD12 ILE A 12 -15.504 -16.383 -14.790 1.00 61.34 H new ATOM 0 HD13 ILE A 12 -16.711 -17.412 -15.597 1.00 61.34 H new ATOM 201 N TYR A 13 -18.595 -18.919 -10.296 1.00 31.35 N ATOM 202 CA TYR A 13 -18.534 -20.038 -9.361 1.00 43.41 C ATOM 203 C TYR A 13 -19.264 -21.255 -9.919 1.00 60.20 C ATOM 204 O TYR A 13 -20.406 -21.158 -10.367 1.00 72.44 O ATOM 205 CB TYR A 13 -19.140 -19.637 -8.015 1.00 32.22 C ATOM 206 CG TYR A 13 -19.321 -20.798 -7.064 1.00 14.13 C ATOM 207 CD1 TYR A 13 -18.252 -21.617 -6.725 1.00 24.32 C ATOM 208 CD2 TYR A 13 -20.562 -21.077 -6.504 1.00 55.15 C ATOM 209 CE1 TYR A 13 -18.412 -22.679 -5.857 1.00 35.23 C ATOM 210 CE2 TYR A 13 -20.733 -22.136 -5.634 1.00 24.21 C ATOM 211 CZ TYR A 13 -19.655 -22.934 -5.313 1.00 21.22 C ATOM 212 OH TYR A 13 -19.820 -23.992 -4.448 1.00 52.30 O ATOM 0 H TYR A 13 -19.487 -18.824 -10.782 1.00 31.35 H new ATOM 0 HA TYR A 13 -17.486 -20.302 -9.216 1.00 43.41 H new ATOM 0 HB2 TYR A 13 -18.500 -18.890 -7.546 1.00 32.22 H new ATOM 0 HB3 TYR A 13 -20.107 -19.165 -8.187 1.00 32.22 H new ATOM 0 HD1 TYR A 13 -17.278 -21.420 -7.148 1.00 24.32 H new ATOM 0 HD2 TYR A 13 -21.408 -20.454 -6.754 1.00 55.15 H new ATOM 0 HE1 TYR A 13 -17.570 -23.306 -5.605 1.00 35.23 H new ATOM 0 HE2 TYR A 13 -21.705 -22.338 -5.208 1.00 24.21 H new ATOM 0 HH TYR A 13 -20.754 -24.032 -4.155 1.00 52.30 H new ATOM 222 N LYS A 14 -18.596 -22.403 -9.888 1.00 64.04 N ATOM 223 CA LYS A 14 -19.179 -23.642 -10.388 1.00 20.43 C ATOM 224 C LYS A 14 -20.133 -24.247 -9.362 1.00 42.03 C ATOM 225 O LYS A 14 -19.998 -24.041 -8.156 1.00 71.30 O ATOM 226 CB LYS A 14 -18.077 -24.647 -10.730 1.00 11.25 C ATOM 227 CG LYS A 14 -17.438 -25.288 -9.509 1.00 51.22 C ATOM 228 CD LYS A 14 -16.290 -26.204 -9.897 1.00 44.03 C ATOM 229 CE LYS A 14 -16.790 -27.456 -10.602 1.00 63.22 C ATOM 230 NZ LYS A 14 -15.762 -28.534 -10.616 1.00 11.43 N ATOM 0 H LYS A 14 -17.649 -22.501 -9.521 1.00 64.04 H new ATOM 0 HA LYS A 14 -19.744 -23.410 -11.291 1.00 20.43 H new ATOM 0 HB2 LYS A 14 -18.494 -25.429 -11.364 1.00 11.25 H new ATOM 0 HB3 LYS A 14 -17.305 -24.143 -11.311 1.00 11.25 H new ATOM 0 HG2 LYS A 14 -17.073 -24.511 -8.838 1.00 51.22 H new ATOM 0 HG3 LYS A 14 -18.189 -25.857 -8.960 1.00 51.22 H new ATOM 0 HD2 LYS A 14 -15.600 -25.669 -10.550 1.00 44.03 H new ATOM 0 HD3 LYS A 14 -15.731 -26.486 -9.005 1.00 44.03 H new ATOM 0 HE2 LYS A 14 -17.689 -27.818 -10.104 1.00 63.22 H new ATOM 0 HE3 LYS A 14 -17.070 -27.209 -11.626 1.00 63.22 H new ATOM 0 HZ1 LYS A 14 -16.142 -29.370 -11.105 1.00 11.43 H new ATOM 0 HZ2 LYS A 14 -14.913 -28.198 -11.114 1.00 11.43 H new ATOM 0 HZ3 LYS A 14 -15.513 -28.789 -9.639 1.00 11.43 H new ATOM 244 N PRO A 15 -21.121 -25.012 -9.851 1.00 5.14 N ATOM 245 CA PRO A 15 -22.114 -25.664 -8.993 1.00 61.50 C ATOM 246 C PRO A 15 -21.514 -26.795 -8.167 1.00 21.35 C ATOM 247 O PRO A 15 -20.476 -27.353 -8.522 1.00 2.12 O ATOM 248 CB PRO A 15 -23.137 -26.215 -9.991 1.00 63.42 C ATOM 249 CG PRO A 15 -22.371 -26.396 -11.256 1.00 75.03 C ATOM 250 CD PRO A 15 -21.342 -25.301 -11.278 1.00 4.53 C ATOM 0 HA PRO A 15 -22.538 -24.974 -8.263 1.00 61.50 H new ATOM 0 HB2 PRO A 15 -23.559 -27.159 -9.645 1.00 63.42 H new ATOM 0 HB3 PRO A 15 -23.969 -25.524 -10.127 1.00 63.42 H new ATOM 0 HG2 PRO A 15 -21.897 -27.377 -11.288 1.00 75.03 H new ATOM 0 HG3 PRO A 15 -23.029 -26.331 -12.123 1.00 75.03 H new ATOM 0 HD2 PRO A 15 -20.424 -25.622 -11.770 1.00 4.53 H new ATOM 0 HD3 PRO A 15 -21.701 -24.423 -11.815 1.00 4.53 H new ATOM 258 N ALA A 16 -22.174 -27.130 -7.062 1.00 3.11 N ATOM 259 CA ALA A 16 -21.705 -28.197 -6.186 1.00 55.21 C ATOM 260 C ALA A 16 -21.819 -29.556 -6.867 1.00 73.43 C ATOM 261 O ALA A 16 -22.537 -29.709 -7.856 1.00 42.23 O ATOM 262 CB ALA A 16 -22.490 -28.191 -4.882 1.00 45.34 C ATOM 0 H ALA A 16 -23.034 -26.678 -6.753 1.00 3.11 H new ATOM 0 HA ALA A 16 -20.653 -28.017 -5.966 1.00 55.21 H new ATOM 0 HB1 ALA A 16 -22.130 -28.992 -4.237 1.00 45.34 H new ATOM 0 HB2 ALA A 16 -22.355 -27.233 -4.380 1.00 45.34 H new ATOM 0 HB3 ALA A 16 -23.548 -28.343 -5.094 1.00 45.34 H new ATOM 268 N LYS A 17 -21.106 -30.542 -6.334 1.00 73.10 N ATOM 269 CA LYS A 17 -21.126 -31.890 -6.889 1.00 73.10 C ATOM 270 C LYS A 17 -22.383 -32.639 -6.455 1.00 4.42 C ATOM 271 O LYS A 17 -22.946 -33.421 -7.219 1.00 62.02 O ATOM 272 CB LYS A 17 -19.882 -32.663 -6.451 1.00 23.04 C ATOM 273 CG LYS A 17 -19.816 -32.912 -4.953 1.00 43.35 C ATOM 274 CD LYS A 17 -18.510 -33.581 -4.556 1.00 74.42 C ATOM 275 CE LYS A 17 -18.312 -33.562 -3.048 1.00 64.00 C ATOM 276 NZ LYS A 17 -17.673 -32.298 -2.589 1.00 71.10 N ATOM 0 H LYS A 17 -20.506 -30.432 -5.517 1.00 73.10 H new ATOM 0 HA LYS A 17 -21.130 -31.808 -7.976 1.00 73.10 H new ATOM 0 HB2 LYS A 17 -19.858 -33.620 -6.971 1.00 23.04 H new ATOM 0 HB3 LYS A 17 -18.994 -32.110 -6.758 1.00 23.04 H new ATOM 0 HG2 LYS A 17 -19.918 -31.966 -4.421 1.00 43.35 H new ATOM 0 HG3 LYS A 17 -20.654 -33.540 -4.650 1.00 43.35 H new ATOM 0 HD2 LYS A 17 -18.504 -34.611 -4.912 1.00 74.42 H new ATOM 0 HD3 LYS A 17 -17.677 -33.072 -5.040 1.00 74.42 H new ATOM 0 HE2 LYS A 17 -19.276 -33.682 -2.554 1.00 64.00 H new ATOM 0 HE3 LYS A 17 -17.694 -34.410 -2.752 1.00 64.00 H new ATOM 0 HZ1 LYS A 17 -17.555 -32.324 -1.556 1.00 71.10 H new ATOM 0 HZ2 LYS A 17 -16.742 -32.196 -3.041 1.00 71.10 H new ATOM 0 HZ3 LYS A 17 -18.275 -31.491 -2.849 1.00 71.10 H new ATOM 290 N SER A 18 -22.817 -32.392 -5.223 1.00 13.23 N ATOM 291 CA SER A 18 -24.005 -33.044 -4.686 1.00 73.23 C ATOM 292 C SER A 18 -25.164 -32.057 -4.574 1.00 4.11 C ATOM 293 O SER A 18 -25.429 -31.511 -3.503 1.00 34.23 O ATOM 294 CB SER A 18 -23.704 -33.652 -3.315 1.00 40.40 C ATOM 295 OG SER A 18 -24.777 -34.462 -2.869 1.00 30.32 O ATOM 0 H SER A 18 -22.363 -31.745 -4.578 1.00 13.23 H new ATOM 0 HA SER A 18 -24.293 -33.840 -5.373 1.00 73.23 H new ATOM 0 HB2 SER A 18 -22.793 -34.248 -3.370 1.00 40.40 H new ATOM 0 HB3 SER A 18 -23.521 -32.856 -2.593 1.00 40.40 H new ATOM 0 HG SER A 18 -24.559 -34.840 -1.991 1.00 30.32 H new ATOM 301 N THR A 19 -25.850 -31.832 -5.690 1.00 33.31 N ATOM 302 CA THR A 19 -26.979 -30.911 -5.719 1.00 53.01 C ATOM 303 C THR A 19 -28.304 -31.661 -5.634 1.00 34.45 C ATOM 304 O THR A 19 -29.294 -31.262 -6.245 1.00 72.21 O ATOM 305 CB THR A 19 -26.971 -30.052 -6.997 1.00 25.54 C ATOM 306 OG1 THR A 19 -27.995 -29.055 -6.925 1.00 53.21 O ATOM 307 CG2 THR A 19 -27.183 -30.916 -8.231 1.00 73.53 C ATOM 0 H THR A 19 -25.643 -32.275 -6.585 1.00 33.31 H new ATOM 0 HA THR A 19 -26.877 -30.260 -4.851 1.00 53.01 H new ATOM 0 HB THR A 19 -25.998 -29.567 -7.075 1.00 25.54 H new ATOM 0 HG1 THR A 19 -28.861 -29.486 -6.767 1.00 53.21 H new ATOM 0 HG21 THR A 19 -27.174 -30.287 -9.121 1.00 73.53 H new ATOM 0 HG22 THR A 19 -26.384 -31.654 -8.300 1.00 73.53 H new ATOM 0 HG23 THR A 19 -28.143 -31.426 -8.157 1.00 73.53 H new ATOM 315 N MET A 20 -28.315 -32.749 -4.869 1.00 44.14 N ATOM 316 CA MET A 20 -29.519 -33.554 -4.703 1.00 41.41 C ATOM 317 C MET A 20 -30.194 -33.252 -3.368 1.00 62.22 C ATOM 318 O MET A 20 -30.282 -34.117 -2.498 1.00 64.42 O ATOM 319 CB MET A 20 -29.180 -35.043 -4.791 1.00 50.34 C ATOM 320 CG MET A 20 -28.922 -35.524 -6.209 1.00 54.33 C ATOM 321 SD MET A 20 -28.034 -37.093 -6.260 1.00 30.02 S ATOM 322 CE MET A 20 -26.530 -36.605 -7.101 1.00 53.40 C ATOM 0 H MET A 20 -27.504 -33.092 -4.355 1.00 44.14 H new ATOM 0 HA MET A 20 -30.210 -33.299 -5.506 1.00 41.41 H new ATOM 0 HB2 MET A 20 -28.298 -35.243 -4.182 1.00 50.34 H new ATOM 0 HB3 MET A 20 -30.000 -35.620 -4.364 1.00 50.34 H new ATOM 0 HG2 MET A 20 -29.873 -35.632 -6.730 1.00 54.33 H new ATOM 0 HG3 MET A 20 -28.348 -34.769 -6.746 1.00 54.33 H new ATOM 0 HE1 MET A 20 -25.876 -37.470 -7.208 1.00 53.40 H new ATOM 0 HE2 MET A 20 -26.776 -36.212 -8.087 1.00 53.40 H new ATOM 0 HE3 MET A 20 -26.021 -35.836 -6.520 1.00 53.40 H new ATOM 332 N GLN A 21 -30.668 -32.019 -3.215 1.00 33.55 N ATOM 333 CA GLN A 21 -31.334 -31.605 -1.986 1.00 31.32 C ATOM 334 C GLN A 21 -32.843 -31.518 -2.187 1.00 72.24 C ATOM 335 O GLN A 21 -33.615 -32.105 -1.428 1.00 71.31 O ATOM 336 CB GLN A 21 -30.791 -30.254 -1.518 1.00 40.35 C ATOM 337 CG GLN A 21 -29.281 -30.232 -1.342 1.00 35.32 C ATOM 338 CD GLN A 21 -28.782 -31.350 -0.448 1.00 31.33 C ATOM 339 OE1 GLN A 21 -28.269 -32.361 -0.927 1.00 21.44 O ATOM 340 NE2 GLN A 21 -28.932 -31.175 0.860 1.00 43.21 N ATOM 0 H GLN A 21 -30.603 -31.291 -3.926 1.00 33.55 H new ATOM 0 HA GLN A 21 -31.131 -32.355 -1.222 1.00 31.32 H new ATOM 0 HB2 GLN A 21 -31.075 -29.488 -2.240 1.00 40.35 H new ATOM 0 HB3 GLN A 21 -31.263 -29.991 -0.571 1.00 40.35 H new ATOM 0 HG2 GLN A 21 -28.804 -30.312 -2.319 1.00 35.32 H new ATOM 0 HG3 GLN A 21 -28.982 -29.273 -0.919 1.00 35.32 H new ATOM 0 HE21 GLN A 21 -29.363 -30.321 1.214 1.00 43.21 H new ATOM 0 HE22 GLN A 21 -28.616 -31.895 1.510 1.00 43.21 H new ATOM 349 N SER A 22 -33.257 -30.783 -3.213 1.00 52.13 N ATOM 350 CA SER A 22 -34.675 -30.616 -3.512 1.00 44.40 C ATOM 351 C SER A 22 -35.028 -31.255 -4.852 1.00 3.33 C ATOM 352 O SER A 22 -35.666 -32.305 -4.903 1.00 13.34 O ATOM 353 CB SER A 22 -35.043 -29.130 -3.530 1.00 21.05 C ATOM 354 OG SER A 22 -35.112 -28.606 -2.215 1.00 34.22 O ATOM 0 H SER A 22 -32.631 -30.293 -3.852 1.00 52.13 H new ATOM 0 HA SER A 22 -35.246 -31.116 -2.730 1.00 44.40 H new ATOM 0 HB2 SER A 22 -34.303 -28.576 -4.107 1.00 21.05 H new ATOM 0 HB3 SER A 22 -36.003 -28.996 -4.029 1.00 21.05 H new ATOM 0 HG SER A 22 -35.347 -27.655 -2.254 1.00 34.22 H new ATOM 360 N GLY A 23 -34.604 -30.612 -5.936 1.00 12.33 N ATOM 361 CA GLY A 23 -34.884 -31.131 -7.262 1.00 21.15 C ATOM 362 C GLY A 23 -33.938 -30.582 -8.311 1.00 51.00 C ATOM 363 O GLY A 23 -32.932 -29.952 -7.982 1.00 32.43 O ATOM 0 H GLY A 23 -34.072 -29.742 -5.919 1.00 12.33 H new ATOM 0 HA2 GLY A 23 -34.812 -32.219 -7.246 1.00 21.15 H new ATOM 0 HA3 GLY A 23 -35.909 -30.883 -7.537 1.00 21.15 H new ATOM 367 N HIS A 24 -34.258 -30.822 -9.579 1.00 55.15 N ATOM 368 CA HIS A 24 -33.429 -30.346 -10.680 1.00 22.53 C ATOM 369 C HIS A 24 -34.249 -29.511 -11.658 1.00 71.41 C ATOM 370 O HIS A 24 -35.396 -29.840 -11.960 1.00 73.12 O ATOM 371 CB HIS A 24 -32.790 -31.528 -11.412 1.00 15.41 C ATOM 372 CG HIS A 24 -31.753 -32.243 -10.603 1.00 0.12 C ATOM 373 ND1 HIS A 24 -31.886 -33.556 -10.199 1.00 51.51 N ATOM 374 CD2 HIS A 24 -30.559 -31.823 -10.123 1.00 71.32 C ATOM 375 CE1 HIS A 24 -30.820 -33.910 -9.505 1.00 45.21 C ATOM 376 NE2 HIS A 24 -29.998 -32.877 -9.444 1.00 74.03 N ATOM 0 H HIS A 24 -35.085 -31.343 -9.869 1.00 55.15 H new ATOM 0 HA HIS A 24 -32.643 -29.716 -10.264 1.00 22.53 H new ATOM 0 HB2 HIS A 24 -33.570 -32.235 -11.694 1.00 15.41 H new ATOM 0 HB3 HIS A 24 -32.335 -31.170 -12.336 1.00 15.41 H new ATOM 0 HD1 HIS A 24 -32.683 -34.159 -10.404 1.00 51.51 H new ATOM 0 HD2 HIS A 24 -30.127 -30.841 -10.250 1.00 71.32 H new ATOM 0 HE1 HIS A 24 -30.649 -34.880 -9.062 1.00 45.21 H new ATOM 384 N SER A 25 -33.654 -28.428 -12.148 1.00 12.31 N ATOM 385 CA SER A 25 -34.332 -27.543 -13.088 1.00 43.30 C ATOM 386 C SER A 25 -33.390 -27.123 -14.213 1.00 55.44 C ATOM 387 O SER A 25 -32.231 -27.533 -14.255 1.00 21.40 O ATOM 388 CB SER A 25 -34.863 -26.305 -12.363 1.00 52.14 C ATOM 389 OG SER A 25 -35.883 -26.652 -11.443 1.00 73.33 O ATOM 0 H SER A 25 -32.704 -28.142 -11.910 1.00 12.31 H new ATOM 0 HA SER A 25 -35.170 -28.088 -13.523 1.00 43.30 H new ATOM 0 HB2 SER A 25 -34.047 -25.810 -11.837 1.00 52.14 H new ATOM 0 HB3 SER A 25 -35.252 -25.592 -13.090 1.00 52.14 H new ATOM 0 HG SER A 25 -36.205 -25.844 -10.991 1.00 73.33 H new ATOM 395 N LYS A 26 -33.899 -26.300 -15.125 1.00 12.33 N ATOM 396 CA LYS A 26 -33.106 -25.821 -16.250 1.00 51.31 C ATOM 397 C LYS A 26 -33.164 -24.299 -16.349 1.00 32.55 C ATOM 398 O LYS A 26 -33.304 -23.743 -17.438 1.00 50.13 O ATOM 399 CB LYS A 26 -33.604 -26.446 -17.554 1.00 64.30 C ATOM 400 CG LYS A 26 -33.428 -27.953 -17.612 1.00 23.42 C ATOM 401 CD LYS A 26 -33.887 -28.518 -18.947 1.00 33.03 C ATOM 402 CE LYS A 26 -34.383 -29.949 -18.805 1.00 51.45 C ATOM 403 NZ LYS A 26 -33.263 -30.903 -18.571 1.00 74.20 N ATOM 0 H LYS A 26 -34.857 -25.951 -15.106 1.00 12.33 H new ATOM 0 HA LYS A 26 -32.070 -26.117 -16.084 1.00 51.31 H new ATOM 0 HB2 LYS A 26 -34.660 -26.207 -17.682 1.00 64.30 H new ATOM 0 HB3 LYS A 26 -33.071 -25.994 -18.391 1.00 64.30 H new ATOM 0 HG2 LYS A 26 -32.380 -28.204 -17.451 1.00 23.42 H new ATOM 0 HG3 LYS A 26 -33.995 -28.418 -16.805 1.00 23.42 H new ATOM 0 HD2 LYS A 26 -34.683 -27.894 -19.353 1.00 33.03 H new ATOM 0 HD3 LYS A 26 -33.063 -28.486 -19.660 1.00 33.03 H new ATOM 0 HE2 LYS A 26 -35.090 -30.008 -17.977 1.00 51.45 H new ATOM 0 HE3 LYS A 26 -34.923 -30.237 -19.707 1.00 51.45 H new ATOM 0 HZ1 LYS A 26 -33.642 -31.867 -18.480 1.00 74.20 H new ATOM 0 HZ2 LYS A 26 -32.602 -30.865 -19.373 1.00 74.20 H new ATOM 0 HZ3 LYS A 26 -32.763 -30.643 -17.697 1.00 74.20 H new ATOM 417 N LEU A 27 -33.056 -23.632 -15.204 1.00 64.34 N ATOM 418 CA LEU A 27 -33.094 -22.174 -15.162 1.00 33.32 C ATOM 419 C LEU A 27 -31.691 -21.597 -15.007 1.00 13.24 C ATOM 420 O LEU A 27 -31.415 -20.481 -15.447 1.00 71.34 O ATOM 421 CB LEU A 27 -33.984 -21.702 -14.011 1.00 24.31 C ATOM 422 CG LEU A 27 -35.474 -22.020 -14.140 1.00 20.25 C ATOM 423 CD1 LEU A 27 -36.144 -21.998 -12.774 1.00 72.05 C ATOM 424 CD2 LEU A 27 -36.150 -21.036 -15.084 1.00 32.45 C ATOM 0 H LEU A 27 -32.942 -24.077 -14.294 1.00 64.34 H new ATOM 0 HA LEU A 27 -33.510 -21.817 -16.104 1.00 33.32 H new ATOM 0 HB2 LEU A 27 -33.616 -22.149 -13.087 1.00 24.31 H new ATOM 0 HB3 LEU A 27 -33.871 -20.623 -13.910 1.00 24.31 H new ATOM 0 HG LEU A 27 -35.578 -23.022 -14.557 1.00 20.25 H new ATOM 0 HD11 LEU A 27 -37.204 -22.226 -12.885 1.00 72.05 H new ATOM 0 HD12 LEU A 27 -35.678 -22.742 -12.128 1.00 72.05 H new ATOM 0 HD13 LEU A 27 -36.031 -21.009 -12.329 1.00 72.05 H new ATOM 0 HD21 LEU A 27 -37.210 -21.278 -15.164 1.00 32.45 H new ATOM 0 HD22 LEU A 27 -36.037 -20.024 -14.696 1.00 32.45 H new ATOM 0 HD23 LEU A 27 -35.688 -21.101 -16.069 1.00 32.45 H new ATOM 436 N LYS A 28 -30.807 -22.364 -14.378 1.00 32.31 N ATOM 437 CA LYS A 28 -29.432 -21.932 -14.167 1.00 4.52 C ATOM 438 C LYS A 28 -28.604 -23.042 -13.528 1.00 2.55 C ATOM 439 O LYS A 28 -29.137 -23.899 -12.824 1.00 50.21 O ATOM 440 CB LYS A 28 -29.398 -20.683 -13.284 1.00 2.45 C ATOM 441 CG LYS A 28 -30.080 -20.869 -11.939 1.00 20.41 C ATOM 442 CD LYS A 28 -29.105 -21.359 -10.882 1.00 13.21 C ATOM 443 CE LYS A 28 -29.474 -20.839 -9.500 1.00 61.11 C ATOM 444 NZ LYS A 28 -28.930 -21.706 -8.418 1.00 61.43 N ATOM 0 H LYS A 28 -31.020 -23.289 -14.005 1.00 32.31 H new ATOM 0 HA LYS A 28 -28.999 -21.694 -15.139 1.00 4.52 H new ATOM 0 HB2 LYS A 28 -28.360 -20.394 -13.119 1.00 2.45 H new ATOM 0 HB3 LYS A 28 -29.878 -19.860 -13.814 1.00 2.45 H new ATOM 0 HG2 LYS A 28 -30.520 -19.924 -11.619 1.00 20.41 H new ATOM 0 HG3 LYS A 28 -30.897 -21.583 -12.040 1.00 20.41 H new ATOM 0 HD2 LYS A 28 -29.096 -22.449 -10.871 1.00 13.21 H new ATOM 0 HD3 LYS A 28 -28.096 -21.034 -11.137 1.00 13.21 H new ATOM 0 HE2 LYS A 28 -29.092 -19.825 -9.380 1.00 61.11 H new ATOM 0 HE3 LYS A 28 -30.559 -20.784 -9.410 1.00 61.11 H new ATOM 0 HZ1 LYS A 28 -29.203 -21.318 -7.492 1.00 61.43 H new ATOM 0 HZ2 LYS A 28 -29.314 -22.667 -8.518 1.00 61.43 H new ATOM 0 HZ3 LYS A 28 -27.893 -21.738 -8.488 1.00 61.43 H new ATOM 458 N ALA A 29 -27.298 -23.019 -13.776 1.00 11.41 N ATOM 459 CA ALA A 29 -26.398 -24.021 -13.221 1.00 23.42 C ATOM 460 C ALA A 29 -25.175 -23.368 -12.584 1.00 32.35 C ATOM 461 O ALA A 29 -24.764 -23.741 -11.485 1.00 51.13 O ATOM 462 CB ALA A 29 -25.971 -25.003 -14.302 1.00 64.12 C ATOM 0 H ALA A 29 -26.841 -22.317 -14.358 1.00 11.41 H new ATOM 0 HA ALA A 29 -26.934 -24.564 -12.443 1.00 23.42 H new ATOM 0 HB1 ALA A 29 -25.299 -25.746 -13.873 1.00 64.12 H new ATOM 0 HB2 ALA A 29 -26.851 -25.501 -14.709 1.00 64.12 H new ATOM 0 HB3 ALA A 29 -25.457 -24.466 -15.099 1.00 64.12 H new ATOM 468 N TRP A 30 -24.599 -22.396 -13.281 1.00 34.35 N ATOM 469 CA TRP A 30 -23.423 -21.693 -12.782 1.00 44.43 C ATOM 470 C TRP A 30 -23.817 -20.383 -12.108 1.00 2.24 C ATOM 471 O TRP A 30 -24.883 -19.829 -12.379 1.00 25.23 O ATOM 472 CB TRP A 30 -22.445 -21.417 -13.927 1.00 34.21 C ATOM 473 CG TRP A 30 -21.589 -22.597 -14.273 1.00 63.00 C ATOM 474 CD1 TRP A 30 -21.990 -23.749 -14.889 1.00 41.34 C ATOM 475 CD2 TRP A 30 -20.188 -22.742 -14.022 1.00 4.41 C ATOM 476 NE1 TRP A 30 -20.921 -24.600 -15.036 1.00 74.21 N ATOM 477 CE2 TRP A 30 -19.804 -24.005 -14.512 1.00 34.50 C ATOM 478 CE3 TRP A 30 -19.218 -21.927 -13.431 1.00 32.21 C ATOM 479 CZ2 TRP A 30 -18.494 -24.470 -14.429 1.00 74.11 C ATOM 480 CZ3 TRP A 30 -17.919 -22.390 -13.349 1.00 65.10 C ATOM 481 CH2 TRP A 30 -17.565 -23.651 -13.846 1.00 73.21 C ATOM 0 H TRP A 30 -24.927 -22.077 -14.193 1.00 34.35 H new ATOM 0 HA TRP A 30 -22.937 -22.329 -12.042 1.00 44.43 H new ATOM 0 HB2 TRP A 30 -23.007 -21.113 -14.810 1.00 34.21 H new ATOM 0 HB3 TRP A 30 -21.803 -20.579 -13.654 1.00 34.21 H new ATOM 0 HD1 TRP A 30 -22.999 -23.960 -15.213 1.00 41.34 H new ATOM 0 HE1 TRP A 30 -20.954 -25.525 -15.466 1.00 74.21 H new ATOM 0 HE3 TRP A 30 -19.480 -20.953 -13.045 1.00 32.21 H new ATOM 0 HZ2 TRP A 30 -18.221 -25.442 -14.811 1.00 74.11 H new ATOM 0 HZ3 TRP A 30 -17.162 -21.768 -12.893 1.00 65.10 H new ATOM 0 HH2 TRP A 30 -16.540 -23.983 -13.768 1.00 73.21 H new ATOM 492 N LYS A 31 -22.951 -19.892 -11.227 1.00 31.44 N ATOM 493 CA LYS A 31 -23.208 -18.648 -10.514 1.00 45.51 C ATOM 494 C LYS A 31 -22.252 -17.550 -10.974 1.00 52.11 C ATOM 495 O LYS A 31 -21.064 -17.797 -11.186 1.00 54.44 O ATOM 496 CB LYS A 31 -23.066 -18.861 -9.005 1.00 71.32 C ATOM 497 CG LYS A 31 -24.283 -19.510 -8.366 1.00 23.20 C ATOM 498 CD LYS A 31 -24.173 -21.026 -8.371 1.00 52.02 C ATOM 499 CE LYS A 31 -24.948 -21.644 -7.218 1.00 33.12 C ATOM 500 NZ LYS A 31 -24.885 -23.132 -7.242 1.00 74.13 N ATOM 0 H LYS A 31 -22.065 -20.338 -10.990 1.00 31.44 H new ATOM 0 HA LYS A 31 -24.228 -18.336 -10.736 1.00 45.51 H new ATOM 0 HB2 LYS A 31 -22.191 -19.483 -8.815 1.00 71.32 H new ATOM 0 HB3 LYS A 31 -22.884 -17.899 -8.526 1.00 71.32 H new ATOM 0 HG2 LYS A 31 -24.390 -19.155 -7.341 1.00 23.20 H new ATOM 0 HG3 LYS A 31 -25.182 -19.208 -8.903 1.00 23.20 H new ATOM 0 HD2 LYS A 31 -24.551 -21.416 -9.316 1.00 52.02 H new ATOM 0 HD3 LYS A 31 -23.125 -21.316 -8.303 1.00 52.02 H new ATOM 0 HE2 LYS A 31 -24.546 -21.279 -6.273 1.00 33.12 H new ATOM 0 HE3 LYS A 31 -25.989 -21.324 -7.267 1.00 33.12 H new ATOM 0 HZ1 LYS A 31 -25.425 -23.515 -6.440 1.00 74.13 H new ATOM 0 HZ2 LYS A 31 -25.292 -23.482 -8.133 1.00 74.13 H new ATOM 0 HZ3 LYS A 31 -23.894 -23.439 -7.170 1.00 74.13 H new ATOM 514 N LEU A 32 -22.778 -16.340 -11.124 1.00 74.43 N ATOM 515 CA LEU A 32 -21.972 -15.204 -11.558 1.00 3.41 C ATOM 516 C LEU A 32 -22.280 -13.967 -10.722 1.00 54.51 C ATOM 517 O LEU A 32 -23.441 -13.598 -10.546 1.00 41.04 O ATOM 518 CB LEU A 32 -22.225 -14.909 -13.038 1.00 1.54 C ATOM 519 CG LEU A 32 -21.262 -13.922 -13.699 1.00 63.04 C ATOM 520 CD1 LEU A 32 -21.590 -12.496 -13.284 1.00 34.31 C ATOM 521 CD2 LEU A 32 -19.822 -14.264 -13.346 1.00 43.21 C ATOM 0 H LEU A 32 -23.759 -16.120 -10.952 1.00 74.43 H new ATOM 0 HA LEU A 32 -20.922 -15.462 -11.419 1.00 3.41 H new ATOM 0 HB2 LEU A 32 -22.184 -15.849 -13.588 1.00 1.54 H new ATOM 0 HB3 LEU A 32 -23.239 -14.522 -13.143 1.00 1.54 H new ATOM 0 HG LEU A 32 -21.379 -14.000 -14.780 1.00 63.04 H new ATOM 0 HD11 LEU A 32 -20.894 -11.808 -13.764 1.00 34.31 H new ATOM 0 HD12 LEU A 32 -22.608 -12.254 -13.588 1.00 34.31 H new ATOM 0 HD13 LEU A 32 -21.503 -12.403 -12.201 1.00 34.31 H new ATOM 0 HD21 LEU A 32 -19.151 -13.551 -13.825 1.00 43.21 H new ATOM 0 HD22 LEU A 32 -19.691 -14.216 -12.265 1.00 43.21 H new ATOM 0 HD23 LEU A 32 -19.591 -15.271 -13.695 1.00 43.21 H new ATOM 533 N GLU A 33 -21.231 -13.329 -10.209 1.00 72.33 N ATOM 534 CA GLU A 33 -21.392 -12.132 -9.391 1.00 41.44 C ATOM 535 C GLU A 33 -20.522 -10.994 -9.918 1.00 53.22 C ATOM 536 O GLU A 33 -19.309 -10.977 -9.710 1.00 21.11 O ATOM 537 CB GLU A 33 -21.033 -12.430 -7.934 1.00 23.23 C ATOM 538 CG GLU A 33 -21.626 -13.730 -7.416 1.00 11.33 C ATOM 539 CD GLU A 33 -23.140 -13.691 -7.341 1.00 14.41 C ATOM 540 OE1 GLU A 33 -23.675 -12.876 -6.561 1.00 2.53 O ATOM 541 OE2 GLU A 33 -23.789 -14.476 -8.063 1.00 12.15 O ATOM 0 H GLU A 33 -20.263 -13.621 -10.345 1.00 72.33 H new ATOM 0 HA GLU A 33 -22.436 -11.824 -9.444 1.00 41.44 H new ATOM 0 HB2 GLU A 33 -19.948 -12.471 -7.837 1.00 23.23 H new ATOM 0 HB3 GLU A 33 -21.378 -11.608 -7.308 1.00 23.23 H new ATOM 0 HG2 GLU A 33 -21.319 -14.549 -8.066 1.00 11.33 H new ATOM 0 HG3 GLU A 33 -21.222 -13.940 -6.426 1.00 11.33 H new ATOM 548 N PHE A 34 -21.151 -10.043 -10.602 1.00 20.23 N ATOM 549 CA PHE A 34 -20.436 -8.902 -11.160 1.00 23.22 C ATOM 550 C PHE A 34 -20.597 -7.672 -10.272 1.00 53.43 C ATOM 551 O PHE A 34 -21.702 -7.346 -9.841 1.00 72.44 O ATOM 552 CB PHE A 34 -20.942 -8.597 -12.571 1.00 60.12 C ATOM 553 CG PHE A 34 -22.357 -8.093 -12.605 1.00 1.14 C ATOM 554 CD1 PHE A 34 -23.418 -8.976 -12.720 1.00 71.21 C ATOM 555 CD2 PHE A 34 -22.625 -6.736 -12.521 1.00 42.03 C ATOM 556 CE1 PHE A 34 -24.721 -8.516 -12.751 1.00 13.45 C ATOM 557 CE2 PHE A 34 -23.926 -6.270 -12.551 1.00 65.52 C ATOM 558 CZ PHE A 34 -24.975 -7.161 -12.667 1.00 2.11 C ATOM 0 H PHE A 34 -22.155 -10.041 -10.783 1.00 20.23 H new ATOM 0 HA PHE A 34 -19.377 -9.157 -11.209 1.00 23.22 H new ATOM 0 HB2 PHE A 34 -20.289 -7.854 -13.030 1.00 60.12 H new ATOM 0 HB3 PHE A 34 -20.872 -9.501 -13.177 1.00 60.12 H new ATOM 0 HD1 PHE A 34 -23.225 -10.037 -12.786 1.00 71.21 H new ATOM 0 HD2 PHE A 34 -21.808 -6.035 -12.431 1.00 42.03 H new ATOM 0 HE1 PHE A 34 -25.539 -9.215 -12.841 1.00 13.45 H new ATOM 0 HE2 PHE A 34 -24.122 -5.210 -12.484 1.00 65.52 H new ATOM 0 HZ PHE A 34 -25.992 -6.799 -12.692 1.00 2.11 H new ATOM 568 N GLU A 35 -19.485 -6.994 -10.003 1.00 75.22 N ATOM 569 CA GLU A 35 -19.505 -5.800 -9.165 1.00 4.12 C ATOM 570 C GLU A 35 -20.317 -4.688 -9.821 1.00 41.30 C ATOM 571 O GLU A 35 -20.552 -4.686 -11.029 1.00 75.24 O ATOM 572 CB GLU A 35 -18.078 -5.315 -8.898 1.00 3.23 C ATOM 573 CG GLU A 35 -17.469 -5.885 -7.628 1.00 14.31 C ATOM 574 CD GLU A 35 -17.673 -7.382 -7.504 1.00 10.34 C ATOM 575 OE1 GLU A 35 -17.422 -8.099 -8.494 1.00 20.55 O ATOM 576 OE2 GLU A 35 -18.082 -7.837 -6.414 1.00 55.43 O ATOM 0 H GLU A 35 -18.561 -7.250 -10.352 1.00 75.22 H new ATOM 0 HA GLU A 35 -19.977 -6.060 -8.217 1.00 4.12 H new ATOM 0 HB2 GLU A 35 -17.447 -5.584 -9.746 1.00 3.23 H new ATOM 0 HB3 GLU A 35 -18.079 -4.227 -8.834 1.00 3.23 H new ATOM 0 HG2 GLU A 35 -16.402 -5.665 -7.611 1.00 14.31 H new ATOM 0 HG3 GLU A 35 -17.911 -5.389 -6.764 1.00 14.31 H new ATOM 583 N PRO A 36 -20.757 -3.718 -9.005 1.00 71.20 N ATOM 584 CA PRO A 36 -21.551 -2.582 -9.482 1.00 44.55 C ATOM 585 C PRO A 36 -20.732 -1.623 -10.341 1.00 20.12 C ATOM 586 O PRO A 36 -19.514 -1.529 -10.193 1.00 50.40 O ATOM 587 CB PRO A 36 -21.998 -1.893 -8.191 1.00 25.10 C ATOM 588 CG PRO A 36 -20.967 -2.270 -7.184 1.00 23.45 C ATOM 589 CD PRO A 36 -20.514 -3.656 -7.554 1.00 0.42 C ATOM 0 HA PRO A 36 -22.376 -2.901 -10.118 1.00 44.55 H new ATOM 0 HB2 PRO A 36 -22.051 -0.812 -8.317 1.00 25.10 H new ATOM 0 HB3 PRO A 36 -22.990 -2.228 -7.887 1.00 25.10 H new ATOM 0 HG2 PRO A 36 -20.132 -1.569 -7.199 1.00 23.45 H new ATOM 0 HG3 PRO A 36 -21.381 -2.251 -6.176 1.00 23.45 H new ATOM 0 HD2 PRO A 36 -19.462 -3.812 -7.316 1.00 0.42 H new ATOM 0 HD3 PRO A 36 -21.079 -4.420 -7.019 1.00 0.42 H new ATOM 597 N SER A 37 -21.409 -0.914 -11.238 1.00 54.10 N ATOM 598 CA SER A 37 -20.743 0.035 -12.123 1.00 52.54 C ATOM 599 C SER A 37 -21.425 1.399 -12.067 1.00 64.35 C ATOM 600 O SER A 37 -20.859 2.368 -11.558 1.00 32.01 O ATOM 601 CB SER A 37 -20.742 -0.489 -13.560 1.00 72.22 C ATOM 602 OG SER A 37 -21.884 -1.290 -13.812 1.00 11.32 O ATOM 0 H SER A 37 -22.418 -0.978 -11.371 1.00 54.10 H new ATOM 0 HA SER A 37 -19.713 0.148 -11.785 1.00 52.54 H new ATOM 0 HB2 SER A 37 -20.721 0.350 -14.256 1.00 72.22 H new ATOM 0 HB3 SER A 37 -19.838 -1.072 -13.737 1.00 72.22 H new ATOM 0 HG SER A 37 -21.861 -1.611 -14.738 1.00 11.32 H new ATOM 608 N CYS A 38 -22.641 1.467 -12.595 1.00 53.54 N ATOM 609 CA CYS A 38 -23.401 2.713 -12.607 1.00 64.33 C ATOM 610 C CYS A 38 -24.900 2.434 -12.607 1.00 54.33 C ATOM 611 O CYS A 38 -25.334 1.297 -12.791 1.00 4.04 O ATOM 612 CB CYS A 38 -23.026 3.551 -13.831 1.00 72.20 C ATOM 613 SG CYS A 38 -21.576 4.602 -13.589 1.00 44.51 S ATOM 0 H CYS A 38 -23.123 0.675 -13.021 1.00 53.54 H new ATOM 0 HA CYS A 38 -23.153 3.271 -11.704 1.00 64.33 H new ATOM 0 HB2 CYS A 38 -22.841 2.883 -14.672 1.00 72.20 H new ATOM 0 HB3 CYS A 38 -23.875 4.178 -14.103 1.00 72.20 H new ATOM 0 HG CYS A 38 -20.788 4.058 -12.710 1.00 44.51 H new ATOM 619 N THR A 39 -25.691 3.482 -12.396 1.00 53.41 N ATOM 620 CA THR A 39 -27.143 3.352 -12.367 1.00 5.21 C ATOM 621 C THR A 39 -27.718 3.300 -13.778 1.00 41.42 C ATOM 622 O THR A 39 -27.482 4.199 -14.586 1.00 51.20 O ATOM 623 CB THR A 39 -27.797 4.516 -11.600 1.00 32.04 C ATOM 624 OG1 THR A 39 -29.224 4.409 -11.671 1.00 43.41 O ATOM 625 CG2 THR A 39 -27.354 5.855 -12.169 1.00 50.04 C ATOM 0 H THR A 39 -25.350 4.431 -12.243 1.00 53.41 H new ATOM 0 HA THR A 39 -27.366 2.418 -11.852 1.00 5.21 H new ATOM 0 HB THR A 39 -27.481 4.460 -10.558 1.00 32.04 H new ATOM 0 HG1 THR A 39 -29.633 5.152 -11.179 1.00 43.41 H new ATOM 0 HG21 THR A 39 -27.829 6.662 -11.611 1.00 50.04 H new ATOM 0 HG22 THR A 39 -26.271 5.945 -12.086 1.00 50.04 H new ATOM 0 HG23 THR A 39 -27.644 5.919 -13.218 1.00 50.04 H new ATOM 633 N GLN A 40 -28.473 2.246 -14.066 1.00 73.05 N ATOM 634 CA GLN A 40 -29.082 2.079 -15.381 1.00 50.45 C ATOM 635 C GLN A 40 -30.457 1.429 -15.266 1.00 43.30 C ATOM 636 O GLN A 40 -30.817 0.899 -14.215 1.00 72.10 O ATOM 637 CB GLN A 40 -28.179 1.234 -16.281 1.00 24.54 C ATOM 638 CG GLN A 40 -26.774 1.793 -16.431 1.00 42.30 C ATOM 639 CD GLN A 40 -25.895 0.934 -17.319 1.00 4.54 C ATOM 640 OE1 GLN A 40 -25.956 -0.295 -17.269 1.00 4.50 O ATOM 641 NE2 GLN A 40 -25.071 1.577 -18.138 1.00 0.31 N ATOM 0 H GLN A 40 -28.678 1.495 -13.407 1.00 73.05 H new ATOM 0 HA GLN A 40 -29.204 3.067 -15.825 1.00 50.45 H new ATOM 0 HB2 GLN A 40 -28.118 0.224 -15.875 1.00 24.54 H new ATOM 0 HB3 GLN A 40 -28.636 1.154 -17.267 1.00 24.54 H new ATOM 0 HG2 GLN A 40 -26.830 2.799 -16.846 1.00 42.30 H new ATOM 0 HG3 GLN A 40 -26.315 1.880 -15.446 1.00 42.30 H new ATOM 0 HE21 GLN A 40 -25.053 2.597 -18.146 1.00 0.31 H new ATOM 0 HE22 GLN A 40 -24.456 1.051 -18.759 1.00 0.31 H new ATOM 650 N TYR A 41 -31.221 1.476 -16.351 1.00 44.13 N ATOM 651 CA TYR A 41 -32.557 0.894 -16.371 1.00 44.35 C ATOM 652 C TYR A 41 -32.722 -0.052 -17.557 1.00 12.05 C ATOM 653 O TYR A 41 -33.159 0.354 -18.635 1.00 23.23 O ATOM 654 CB TYR A 41 -33.615 1.998 -16.434 1.00 2.24 C ATOM 655 CG TYR A 41 -33.871 2.667 -15.103 1.00 34.20 C ATOM 656 CD1 TYR A 41 -33.015 3.650 -14.621 1.00 32.50 C ATOM 657 CD2 TYR A 41 -34.969 2.315 -14.326 1.00 2.32 C ATOM 658 CE1 TYR A 41 -33.245 4.264 -13.406 1.00 12.04 C ATOM 659 CE2 TYR A 41 -35.207 2.925 -13.110 1.00 3.25 C ATOM 660 CZ TYR A 41 -34.343 3.899 -12.654 1.00 4.14 C ATOM 661 OH TYR A 41 -34.576 4.507 -11.441 1.00 0.31 O ATOM 0 H TYR A 41 -30.938 1.911 -17.229 1.00 44.13 H new ATOM 0 HA TYR A 41 -32.691 0.322 -15.453 1.00 44.35 H new ATOM 0 HB2 TYR A 41 -33.299 2.752 -17.155 1.00 2.24 H new ATOM 0 HB3 TYR A 41 -34.549 1.574 -16.804 1.00 2.24 H new ATOM 0 HD1 TYR A 41 -32.155 3.939 -15.207 1.00 32.50 H new ATOM 0 HD2 TYR A 41 -35.647 1.552 -14.679 1.00 2.32 H new ATOM 0 HE1 TYR A 41 -32.569 5.026 -13.046 1.00 12.04 H new ATOM 0 HE2 TYR A 41 -36.065 2.641 -12.519 1.00 3.25 H new ATOM 0 HH TYR A 41 -35.390 4.136 -11.040 1.00 0.31 H new ATOM 671 N THR A 42 -32.369 -1.317 -17.349 1.00 72.33 N ATOM 672 CA THR A 42 -32.477 -2.322 -18.399 1.00 43.24 C ATOM 673 C THR A 42 -33.677 -3.233 -18.167 1.00 52.02 C ATOM 674 O THR A 42 -33.813 -4.271 -18.813 1.00 21.52 O ATOM 675 CB THR A 42 -31.203 -3.183 -18.485 1.00 4.12 C ATOM 676 OG1 THR A 42 -31.182 -4.136 -17.417 1.00 13.33 O ATOM 677 CG2 THR A 42 -29.957 -2.314 -18.419 1.00 44.31 C ATOM 0 H THR A 42 -32.006 -1.669 -16.463 1.00 72.33 H new ATOM 0 HA THR A 42 -32.608 -1.785 -19.338 1.00 43.24 H new ATOM 0 HB THR A 42 -31.211 -3.708 -19.440 1.00 4.12 H new ATOM 0 HG1 THR A 42 -30.370 -4.680 -17.480 1.00 13.33 H new ATOM 0 HG21 THR A 42 -29.070 -2.944 -18.482 1.00 44.31 H new ATOM 0 HG22 THR A 42 -29.961 -1.609 -19.250 1.00 44.31 H new ATOM 0 HG23 THR A 42 -29.946 -1.765 -17.478 1.00 44.31 H new ATOM 685 N GLU A 43 -34.546 -2.836 -17.243 1.00 41.40 N ATOM 686 CA GLU A 43 -35.736 -3.618 -16.927 1.00 43.32 C ATOM 687 C GLU A 43 -36.674 -3.690 -18.129 1.00 11.34 C ATOM 688 O GLU A 43 -36.906 -2.703 -18.827 1.00 75.31 O ATOM 689 CB GLU A 43 -36.469 -3.011 -15.729 1.00 53.34 C ATOM 690 CG GLU A 43 -37.788 -3.695 -15.412 1.00 61.13 C ATOM 691 CD GLU A 43 -38.605 -2.939 -14.382 1.00 2.15 C ATOM 692 OE1 GLU A 43 -38.162 -1.851 -13.956 1.00 62.43 O ATOM 693 OE2 GLU A 43 -39.685 -3.435 -14.000 1.00 21.33 O ATOM 0 H GLU A 43 -34.449 -1.978 -16.700 1.00 41.40 H new ATOM 0 HA GLU A 43 -35.419 -4.630 -16.674 1.00 43.32 H new ATOM 0 HB2 GLU A 43 -35.822 -3.064 -14.853 1.00 53.34 H new ATOM 0 HB3 GLU A 43 -36.655 -1.955 -15.925 1.00 53.34 H new ATOM 0 HG2 GLU A 43 -38.370 -3.796 -16.328 1.00 61.13 H new ATOM 0 HG3 GLU A 43 -37.592 -4.703 -15.046 1.00 61.13 H new ATOM 700 N PRO A 44 -37.226 -4.887 -18.376 1.00 42.43 N ATOM 701 CA PRO A 44 -38.147 -5.118 -19.492 1.00 53.14 C ATOM 702 C PRO A 44 -39.493 -4.431 -19.285 1.00 43.54 C ATOM 703 O PRO A 44 -39.955 -4.277 -18.154 1.00 34.30 O ATOM 704 CB PRO A 44 -38.319 -6.638 -19.501 1.00 33.44 C ATOM 705 CG PRO A 44 -38.035 -7.061 -18.101 1.00 12.22 C ATOM 706 CD PRO A 44 -36.994 -6.107 -17.585 1.00 21.12 C ATOM 0 HA PRO A 44 -37.762 -4.713 -20.428 1.00 53.14 H new ATOM 0 HB2 PRO A 44 -39.328 -6.920 -19.803 1.00 33.44 H new ATOM 0 HB3 PRO A 44 -37.632 -7.110 -20.204 1.00 33.44 H new ATOM 0 HG2 PRO A 44 -38.937 -7.022 -17.491 1.00 12.22 H new ATOM 0 HG3 PRO A 44 -37.673 -8.089 -18.069 1.00 12.22 H new ATOM 0 HD2 PRO A 44 -37.113 -5.922 -16.517 1.00 21.12 H new ATOM 0 HD3 PRO A 44 -35.986 -6.495 -17.731 1.00 21.12 H new ATOM 714 N LEU A 45 -40.117 -4.019 -20.384 1.00 11.22 N ATOM 715 CA LEU A 45 -41.411 -3.348 -20.322 1.00 44.32 C ATOM 716 C LEU A 45 -42.483 -4.167 -21.032 1.00 71.30 C ATOM 717 O LEU A 45 -43.456 -3.619 -21.548 1.00 70.34 O ATOM 718 CB LEU A 45 -41.315 -1.957 -20.951 1.00 75.14 C ATOM 719 CG LEU A 45 -40.602 -1.877 -22.300 1.00 63.14 C ATOM 720 CD1 LEU A 45 -41.485 -2.435 -23.406 1.00 51.41 C ATOM 721 CD2 LEU A 45 -40.200 -0.442 -22.609 1.00 35.24 C ATOM 0 H LEU A 45 -39.748 -4.138 -21.327 1.00 11.22 H new ATOM 0 HA LEU A 45 -41.692 -3.248 -19.274 1.00 44.32 H new ATOM 0 HB2 LEU A 45 -42.325 -1.565 -21.073 1.00 75.14 H new ATOM 0 HB3 LEU A 45 -40.800 -1.299 -20.251 1.00 75.14 H new ATOM 0 HG LEU A 45 -39.697 -2.482 -22.246 1.00 63.14 H new ATOM 0 HD11 LEU A 45 -40.960 -2.369 -24.359 1.00 51.41 H new ATOM 0 HD12 LEU A 45 -41.720 -3.478 -23.193 1.00 51.41 H new ATOM 0 HD13 LEU A 45 -42.408 -1.858 -23.460 1.00 51.41 H new ATOM 0 HD21 LEU A 45 -39.694 -0.406 -23.574 1.00 35.24 H new ATOM 0 HD22 LEU A 45 -41.090 0.186 -22.643 1.00 35.24 H new ATOM 0 HD23 LEU A 45 -39.528 -0.077 -21.832 1.00 35.24 H new ATOM 733 N MET A 46 -42.299 -5.483 -21.052 1.00 11.23 N ATOM 734 CA MET A 46 -43.253 -6.379 -21.696 1.00 11.05 C ATOM 735 C MET A 46 -43.877 -7.329 -20.679 1.00 20.12 C ATOM 736 O MET A 46 -44.269 -8.446 -21.018 1.00 2.43 O ATOM 737 CB MET A 46 -42.566 -7.179 -22.804 1.00 51.43 C ATOM 738 CG MET A 46 -41.597 -8.228 -22.285 1.00 25.15 C ATOM 739 SD MET A 46 -40.261 -8.574 -23.445 1.00 70.41 S ATOM 740 CE MET A 46 -39.112 -9.451 -22.387 1.00 22.12 C ATOM 0 H MET A 46 -41.498 -5.953 -20.630 1.00 11.23 H new ATOM 0 HA MET A 46 -44.045 -5.772 -22.134 1.00 11.05 H new ATOM 0 HB2 MET A 46 -43.327 -7.668 -23.412 1.00 51.43 H new ATOM 0 HB3 MET A 46 -42.029 -6.492 -23.457 1.00 51.43 H new ATOM 0 HG2 MET A 46 -41.173 -7.889 -21.339 1.00 25.15 H new ATOM 0 HG3 MET A 46 -42.141 -9.149 -22.079 1.00 25.15 H new ATOM 0 HE1 MET A 46 -38.230 -9.733 -22.962 1.00 22.12 H new ATOM 0 HE2 MET A 46 -38.815 -8.807 -21.560 1.00 22.12 H new ATOM 0 HE3 MET A 46 -39.591 -10.348 -21.994 1.00 22.12 H new ATOM 750 N ASN A 47 -43.967 -6.879 -19.431 1.00 43.30 N ATOM 751 CA ASN A 47 -44.543 -7.691 -18.365 1.00 51.43 C ATOM 752 C ASN A 47 -46.020 -7.361 -18.169 1.00 32.52 C ATOM 753 O ASN A 47 -46.420 -6.865 -17.116 1.00 34.31 O ATOM 754 CB ASN A 47 -43.781 -7.468 -17.057 1.00 42.13 C ATOM 755 CG ASN A 47 -44.233 -8.409 -15.957 1.00 51.22 C ATOM 756 OD1 ASN A 47 -44.540 -9.575 -16.210 1.00 52.44 O ATOM 757 ND2 ASN A 47 -44.275 -7.907 -14.730 1.00 15.51 N ATOM 0 H ASN A 47 -43.648 -5.957 -19.133 1.00 43.30 H new ATOM 0 HA ASN A 47 -44.458 -8.739 -18.653 1.00 51.43 H new ATOM 0 HB2 ASN A 47 -42.714 -7.605 -17.233 1.00 42.13 H new ATOM 0 HB3 ASN A 47 -43.920 -6.438 -16.730 1.00 42.13 H new ATOM 0 HD21 ASN A 47 -44.571 -8.493 -13.949 1.00 15.51 H new ATOM 0 HD22 ASN A 47 -44.012 -6.935 -14.567 1.00 15.51 H new ATOM 764 N TRP A 48 -46.823 -7.641 -19.188 1.00 75.30 N ATOM 765 CA TRP A 48 -48.256 -7.374 -19.127 1.00 61.54 C ATOM 766 C TRP A 48 -48.873 -7.995 -17.879 1.00 60.30 C ATOM 767 O TRP A 48 -49.547 -7.317 -17.103 1.00 23.12 O ATOM 768 CB TRP A 48 -48.950 -7.917 -20.377 1.00 72.44 C ATOM 769 CG TRP A 48 -50.307 -7.324 -20.609 1.00 64.13 C ATOM 770 CD1 TRP A 48 -51.513 -7.927 -20.397 1.00 25.42 C ATOM 771 CD2 TRP A 48 -50.594 -6.010 -21.100 1.00 50.50 C ATOM 772 NE1 TRP A 48 -52.533 -7.068 -20.726 1.00 34.21 N ATOM 773 CE2 TRP A 48 -51.996 -5.885 -21.159 1.00 73.25 C ATOM 774 CE3 TRP A 48 -49.805 -4.925 -21.493 1.00 31.35 C ATOM 775 CZ2 TRP A 48 -52.621 -4.720 -21.596 1.00 71.22 C ATOM 776 CZ3 TRP A 48 -50.427 -3.770 -21.926 1.00 24.41 C ATOM 777 CH2 TRP A 48 -51.824 -3.674 -21.975 1.00 21.03 C ATOM 0 H TRP A 48 -46.507 -8.053 -20.066 1.00 75.30 H new ATOM 0 HA TRP A 48 -48.397 -6.294 -19.081 1.00 61.54 H new ATOM 0 HB2 TRP A 48 -48.322 -7.721 -21.246 1.00 72.44 H new ATOM 0 HB3 TRP A 48 -49.045 -8.999 -20.290 1.00 72.44 H new ATOM 0 HD1 TRP A 48 -51.646 -8.932 -20.025 1.00 25.42 H new ATOM 0 HE1 TRP A 48 -53.529 -7.277 -20.659 1.00 34.21 H new ATOM 0 HE3 TRP A 48 -48.727 -4.989 -21.459 1.00 31.35 H new ATOM 0 HZ2 TRP A 48 -53.698 -4.644 -21.635 1.00 71.22 H new ATOM 0 HZ3 TRP A 48 -49.826 -2.926 -22.232 1.00 24.41 H new ATOM 0 HH2 TRP A 48 -52.280 -2.757 -22.318 1.00 21.03 H new ATOM 788 N THR A 49 -48.638 -9.291 -17.689 1.00 52.33 N ATOM 789 CA THR A 49 -49.171 -10.003 -16.535 1.00 61.54 C ATOM 790 C THR A 49 -48.261 -9.846 -15.323 1.00 3.52 C ATOM 791 O THR A 49 -47.259 -10.548 -15.191 1.00 73.51 O ATOM 792 CB THR A 49 -49.352 -11.503 -16.835 1.00 53.01 C ATOM 793 OG1 THR A 49 -49.849 -11.679 -18.167 1.00 11.13 O ATOM 794 CG2 THR A 49 -50.311 -12.141 -15.842 1.00 72.33 C ATOM 0 H THR A 49 -48.082 -9.868 -18.320 1.00 52.33 H new ATOM 0 HA THR A 49 -50.144 -9.563 -16.315 1.00 61.54 H new ATOM 0 HB THR A 49 -48.381 -11.990 -16.742 1.00 53.01 H new ATOM 0 HG1 THR A 49 -49.960 -12.635 -18.351 1.00 11.13 H new ATOM 0 HG21 THR A 49 -50.423 -13.200 -16.074 1.00 72.33 H new ATOM 0 HG22 THR A 49 -49.916 -12.030 -14.832 1.00 72.33 H new ATOM 0 HG23 THR A 49 -51.282 -11.650 -15.907 1.00 72.33 H new ATOM 802 N GLY A 50 -48.615 -8.918 -14.438 1.00 21.13 N ATOM 803 CA GLY A 50 -47.819 -8.686 -13.248 1.00 10.43 C ATOM 804 C GLY A 50 -47.553 -7.213 -13.006 1.00 60.31 C ATOM 805 O GLY A 50 -47.358 -6.448 -13.950 1.00 44.14 O ATOM 0 H GLY A 50 -49.439 -8.323 -14.525 1.00 21.13 H new ATOM 0 HA2 GLY A 50 -48.333 -9.106 -12.383 1.00 10.43 H new ATOM 0 HA3 GLY A 50 -46.869 -9.213 -13.341 1.00 10.43 H new ATOM 809 N SER A 51 -47.546 -6.815 -11.738 1.00 74.30 N ATOM 810 CA SER A 51 -47.308 -5.423 -11.376 1.00 14.12 C ATOM 811 C SER A 51 -45.853 -5.037 -11.628 1.00 54.15 C ATOM 812 O SER A 51 -45.010 -5.893 -11.898 1.00 53.44 O ATOM 813 CB SER A 51 -47.661 -5.189 -9.905 1.00 63.13 C ATOM 814 OG SER A 51 -46.587 -5.556 -9.058 1.00 23.34 O ATOM 0 H SER A 51 -47.702 -7.437 -10.945 1.00 74.30 H new ATOM 0 HA SER A 51 -47.946 -4.797 -12.000 1.00 14.12 H new ATOM 0 HB2 SER A 51 -47.908 -4.139 -9.750 1.00 63.13 H new ATOM 0 HB3 SER A 51 -48.548 -5.767 -9.644 1.00 63.13 H new ATOM 0 HG SER A 51 -46.837 -5.395 -8.124 1.00 23.34 H new ATOM 820 N HIS A 52 -45.568 -3.742 -11.540 1.00 40.21 N ATOM 821 CA HIS A 52 -44.216 -3.241 -11.759 1.00 44.44 C ATOM 822 C HIS A 52 -43.289 -3.664 -10.624 1.00 15.01 C ATOM 823 O HIS A 52 -43.604 -3.473 -9.449 1.00 22.33 O ATOM 824 CB HIS A 52 -44.228 -1.716 -11.881 1.00 23.43 C ATOM 825 CG HIS A 52 -44.837 -1.222 -13.157 1.00 3.04 C ATOM 826 ND1 HIS A 52 -45.253 0.080 -13.337 1.00 62.45 N ATOM 827 CD2 HIS A 52 -45.097 -1.864 -14.320 1.00 41.11 C ATOM 828 CE1 HIS A 52 -45.745 0.218 -14.556 1.00 22.13 C ATOM 829 NE2 HIS A 52 -45.661 -0.948 -15.173 1.00 64.14 N ATOM 0 H HIS A 52 -46.255 -3.021 -11.319 1.00 40.21 H new ATOM 0 HA HIS A 52 -43.843 -3.670 -12.689 1.00 44.44 H new ATOM 0 HB2 HIS A 52 -44.779 -1.297 -11.039 1.00 23.43 H new ATOM 0 HB3 HIS A 52 -43.205 -1.346 -11.809 1.00 23.43 H new ATOM 0 HD2 HIS A 52 -44.898 -2.903 -14.537 1.00 41.11 H new ATOM 0 HE1 HIS A 52 -46.147 1.128 -14.976 1.00 22.13 H new ATOM 0 HE2 HIS A 52 -45.966 -1.137 -16.128 1.00 64.14 H new ATOM 837 N ASP A 53 -42.147 -4.241 -10.982 1.00 64.24 N ATOM 838 CA ASP A 53 -41.175 -4.692 -9.994 1.00 42.24 C ATOM 839 C ASP A 53 -40.208 -3.569 -9.631 1.00 43.41 C ATOM 840 O ASP A 53 -40.122 -3.158 -8.474 1.00 15.53 O ATOM 841 CB ASP A 53 -40.399 -5.898 -10.524 1.00 3.12 C ATOM 842 CG ASP A 53 -41.271 -7.129 -10.672 1.00 43.45 C ATOM 843 OD1 ASP A 53 -42.471 -6.971 -10.979 1.00 73.50 O ATOM 844 OD2 ASP A 53 -40.754 -8.249 -10.482 1.00 22.33 O ATOM 0 H ASP A 53 -41.872 -4.407 -11.950 1.00 64.24 H new ATOM 0 HA ASP A 53 -41.717 -4.985 -9.095 1.00 42.24 H new ATOM 0 HB2 ASP A 53 -39.961 -5.648 -11.491 1.00 3.12 H new ATOM 0 HB3 ASP A 53 -39.573 -6.121 -9.848 1.00 3.12 H new ATOM 849 N THR A 54 -39.480 -3.076 -10.629 1.00 11.34 N ATOM 850 CA THR A 54 -38.517 -2.003 -10.415 1.00 40.30 C ATOM 851 C THR A 54 -37.509 -2.376 -9.335 1.00 13.43 C ATOM 852 O THR A 54 -37.171 -1.559 -8.477 1.00 3.21 O ATOM 853 CB THR A 54 -39.219 -0.691 -10.015 1.00 12.53 C ATOM 854 OG1 THR A 54 -40.464 -0.568 -10.712 1.00 24.22 O ATOM 855 CG2 THR A 54 -38.338 0.511 -10.325 1.00 31.34 C ATOM 0 H THR A 54 -39.539 -3.403 -11.593 1.00 11.34 H new ATOM 0 HA THR A 54 -37.994 -1.854 -11.360 1.00 40.30 H new ATOM 0 HB THR A 54 -39.406 -0.718 -8.941 1.00 12.53 H new ATOM 0 HG1 THR A 54 -40.904 0.268 -10.451 1.00 24.22 H new ATOM 0 HG21 THR A 54 -38.855 1.426 -10.034 1.00 31.34 H new ATOM 0 HG22 THR A 54 -37.403 0.430 -9.770 1.00 31.34 H new ATOM 0 HG23 THR A 54 -38.124 0.539 -11.393 1.00 31.34 H new ATOM 863 N LYS A 55 -37.030 -3.614 -9.380 1.00 32.42 N ATOM 864 CA LYS A 55 -36.057 -4.096 -8.407 1.00 33.44 C ATOM 865 C LYS A 55 -34.864 -4.741 -9.103 1.00 70.13 C ATOM 866 O LYS A 55 -35.030 -5.556 -10.011 1.00 53.34 O ATOM 867 CB LYS A 55 -36.712 -5.102 -7.457 1.00 41.02 C ATOM 868 CG LYS A 55 -35.763 -5.652 -6.406 1.00 64.32 C ATOM 869 CD LYS A 55 -36.518 -6.233 -5.223 1.00 33.45 C ATOM 870 CE LYS A 55 -36.897 -7.687 -5.461 1.00 24.21 C ATOM 871 NZ LYS A 55 -36.980 -8.455 -4.188 1.00 43.04 N ATOM 0 H LYS A 55 -37.300 -4.303 -10.081 1.00 32.42 H new ATOM 0 HA LYS A 55 -35.700 -3.241 -7.833 1.00 33.44 H new ATOM 0 HB2 LYS A 55 -37.555 -4.623 -6.959 1.00 41.02 H new ATOM 0 HB3 LYS A 55 -37.115 -5.930 -8.040 1.00 41.02 H new ATOM 0 HG2 LYS A 55 -35.133 -6.422 -6.851 1.00 64.32 H new ATOM 0 HG3 LYS A 55 -35.100 -4.858 -6.062 1.00 64.32 H new ATOM 0 HD2 LYS A 55 -35.903 -6.159 -4.326 1.00 33.45 H new ATOM 0 HD3 LYS A 55 -37.419 -5.646 -5.042 1.00 33.45 H new ATOM 0 HE2 LYS A 55 -37.857 -7.732 -5.976 1.00 24.21 H new ATOM 0 HE3 LYS A 55 -36.161 -8.151 -6.118 1.00 24.21 H new ATOM 0 HZ1 LYS A 55 -37.241 -9.441 -4.394 1.00 43.04 H new ATOM 0 HZ2 LYS A 55 -36.057 -8.434 -3.709 1.00 43.04 H new ATOM 0 HZ3 LYS A 55 -37.700 -8.028 -3.571 1.00 43.04 H new ATOM 885 N GLN A 56 -33.662 -4.373 -8.673 1.00 13.34 N ATOM 886 CA GLN A 56 -32.442 -4.917 -9.255 1.00 21.10 C ATOM 887 C GLN A 56 -31.816 -5.960 -8.334 1.00 72.44 C ATOM 888 O GLN A 56 -32.291 -6.181 -7.220 1.00 64.24 O ATOM 889 CB GLN A 56 -31.438 -3.795 -9.529 1.00 11.02 C ATOM 890 CG GLN A 56 -31.879 -2.840 -10.627 1.00 2.42 C ATOM 891 CD GLN A 56 -30.972 -1.630 -10.746 1.00 32.10 C ATOM 892 OE1 GLN A 56 -29.968 -1.661 -11.458 1.00 13.14 O ATOM 893 NE2 GLN A 56 -31.323 -0.556 -10.049 1.00 35.23 N ATOM 0 H GLN A 56 -33.507 -3.700 -7.923 1.00 13.34 H new ATOM 0 HA GLN A 56 -32.704 -5.400 -10.196 1.00 21.10 H new ATOM 0 HB2 GLN A 56 -31.277 -3.230 -8.611 1.00 11.02 H new ATOM 0 HB3 GLN A 56 -30.480 -4.235 -9.805 1.00 11.02 H new ATOM 0 HG2 GLN A 56 -31.898 -3.370 -11.579 1.00 2.42 H new ATOM 0 HG3 GLN A 56 -32.898 -2.508 -10.427 1.00 2.42 H new ATOM 0 HE21 GLN A 56 -32.164 -0.575 -9.472 1.00 35.23 H new ATOM 0 HE22 GLN A 56 -30.752 0.288 -10.091 1.00 35.23 H new ATOM 902 N GLN A 57 -30.752 -6.599 -8.808 1.00 53.42 N ATOM 903 CA GLN A 57 -30.064 -7.619 -8.028 1.00 30.34 C ATOM 904 C GLN A 57 -28.575 -7.650 -8.362 1.00 54.44 C ATOM 905 O GLN A 57 -28.147 -7.109 -9.381 1.00 23.04 O ATOM 906 CB GLN A 57 -30.685 -8.994 -8.285 1.00 5.45 C ATOM 907 CG GLN A 57 -30.407 -9.534 -9.679 1.00 31.43 C ATOM 908 CD GLN A 57 -31.409 -10.590 -10.104 1.00 61.45 C ATOM 909 OE1 GLN A 57 -32.208 -10.372 -11.016 1.00 11.14 O ATOM 910 NE2 GLN A 57 -31.371 -11.743 -9.446 1.00 50.42 N ATOM 0 H GLN A 57 -30.348 -6.428 -9.729 1.00 53.42 H new ATOM 0 HA GLN A 57 -30.176 -7.369 -6.973 1.00 30.34 H new ATOM 0 HB2 GLN A 57 -30.303 -9.700 -7.548 1.00 5.45 H new ATOM 0 HB3 GLN A 57 -31.763 -8.930 -8.137 1.00 5.45 H new ATOM 0 HG2 GLN A 57 -30.426 -8.711 -10.394 1.00 31.43 H new ATOM 0 HG3 GLN A 57 -29.403 -9.958 -9.707 1.00 31.43 H new ATOM 0 HE21 GLN A 57 -30.692 -11.881 -8.697 1.00 50.42 H new ATOM 0 HE22 GLN A 57 -32.020 -12.491 -9.690 1.00 50.42 H new ATOM 919 N VAL A 58 -27.792 -8.286 -7.496 1.00 52.42 N ATOM 920 CA VAL A 58 -26.352 -8.387 -7.700 1.00 71.22 C ATOM 921 C VAL A 58 -25.955 -9.799 -8.115 1.00 44.01 C ATOM 922 O VAL A 58 -24.999 -9.989 -8.869 1.00 4.11 O ATOM 923 CB VAL A 58 -25.577 -8.000 -6.426 1.00 62.23 C ATOM 924 CG1 VAL A 58 -25.766 -9.054 -5.346 1.00 12.32 C ATOM 925 CG2 VAL A 58 -24.102 -7.805 -6.741 1.00 5.24 C ATOM 0 H VAL A 58 -28.131 -8.739 -6.647 1.00 52.42 H new ATOM 0 HA VAL A 58 -26.094 -7.691 -8.498 1.00 71.22 H new ATOM 0 HB VAL A 58 -25.973 -7.056 -6.051 1.00 62.23 H new ATOM 0 HG11 VAL A 58 -25.211 -8.764 -4.454 1.00 12.32 H new ATOM 0 HG12 VAL A 58 -26.825 -9.140 -5.103 1.00 12.32 H new ATOM 0 HG13 VAL A 58 -25.397 -10.014 -5.706 1.00 12.32 H new ATOM 0 HG21 VAL A 58 -23.569 -7.532 -5.831 1.00 5.24 H new ATOM 0 HG22 VAL A 58 -23.689 -8.732 -7.139 1.00 5.24 H new ATOM 0 HG23 VAL A 58 -23.989 -7.011 -7.479 1.00 5.24 H new ATOM 935 N CYS A 59 -26.693 -10.785 -7.619 1.00 64.42 N ATOM 936 CA CYS A 59 -26.417 -12.181 -7.939 1.00 22.11 C ATOM 937 C CYS A 59 -27.062 -12.574 -9.264 1.00 23.04 C ATOM 938 O CYS A 59 -28.285 -12.545 -9.404 1.00 72.22 O ATOM 939 CB CYS A 59 -26.925 -13.093 -6.821 1.00 14.30 C ATOM 940 SG CYS A 59 -26.425 -12.576 -5.162 1.00 5.45 S ATOM 0 H CYS A 59 -27.487 -10.644 -6.994 1.00 64.42 H new ATOM 0 HA CYS A 59 -25.337 -12.299 -8.032 1.00 22.11 H new ATOM 0 HB2 CYS A 59 -28.013 -13.132 -6.865 1.00 14.30 H new ATOM 0 HB3 CYS A 59 -26.562 -14.105 -6.999 1.00 14.30 H new ATOM 0 HG CYS A 59 -25.128 -12.505 -5.102 1.00 5.45 H new ATOM 946 N LEU A 60 -26.231 -12.939 -10.235 1.00 34.33 N ATOM 947 CA LEU A 60 -26.721 -13.336 -11.550 1.00 62.03 C ATOM 948 C LEU A 60 -26.346 -14.782 -11.858 1.00 23.35 C ATOM 949 O LEU A 60 -25.176 -15.160 -11.785 1.00 54.54 O ATOM 950 CB LEU A 60 -26.154 -12.411 -12.628 1.00 42.51 C ATOM 951 CG LEU A 60 -26.223 -12.930 -14.064 1.00 64.22 C ATOM 952 CD1 LEU A 60 -27.663 -13.218 -14.459 1.00 22.00 C ATOM 953 CD2 LEU A 60 -25.594 -11.931 -15.024 1.00 63.52 C ATOM 0 H LEU A 60 -25.216 -12.968 -10.136 1.00 34.33 H new ATOM 0 HA LEU A 60 -27.808 -13.255 -11.544 1.00 62.03 H new ATOM 0 HB2 LEU A 60 -26.687 -11.462 -12.580 1.00 42.51 H new ATOM 0 HB3 LEU A 60 -25.111 -12.203 -12.388 1.00 42.51 H new ATOM 0 HG LEU A 60 -25.659 -13.861 -14.120 1.00 64.22 H new ATOM 0 HD11 LEU A 60 -27.692 -13.587 -15.484 1.00 22.00 H new ATOM 0 HD12 LEU A 60 -28.080 -13.971 -13.791 1.00 22.00 H new ATOM 0 HD13 LEU A 60 -28.250 -12.303 -14.386 1.00 22.00 H new ATOM 0 HD21 LEU A 60 -25.652 -12.318 -16.041 1.00 63.52 H new ATOM 0 HD22 LEU A 60 -26.129 -10.983 -14.965 1.00 63.52 H new ATOM 0 HD23 LEU A 60 -24.549 -11.775 -14.754 1.00 63.52 H new ATOM 965 N SER A 61 -27.345 -15.587 -12.202 1.00 33.43 N ATOM 966 CA SER A 61 -27.120 -16.993 -12.519 1.00 14.22 C ATOM 967 C SER A 61 -27.022 -17.201 -14.027 1.00 32.04 C ATOM 968 O SER A 61 -27.582 -16.432 -14.809 1.00 62.50 O ATOM 969 CB SER A 61 -28.249 -17.854 -11.947 1.00 52.01 C ATOM 970 OG SER A 61 -28.665 -17.373 -10.680 1.00 62.20 O ATOM 0 H SER A 61 -28.319 -15.290 -12.269 1.00 33.43 H new ATOM 0 HA SER A 61 -26.176 -17.295 -12.065 1.00 14.22 H new ATOM 0 HB2 SER A 61 -29.095 -17.855 -12.635 1.00 52.01 H new ATOM 0 HB3 SER A 61 -27.912 -18.887 -11.855 1.00 52.01 H new ATOM 0 HG SER A 61 -29.486 -17.834 -10.409 1.00 62.20 H new ATOM 976 N PHE A 62 -26.306 -18.246 -14.428 1.00 45.42 N ATOM 977 CA PHE A 62 -26.132 -18.556 -15.842 1.00 43.32 C ATOM 978 C PHE A 62 -26.270 -20.055 -16.092 1.00 54.22 C ATOM 979 O PHE A 62 -26.096 -20.867 -15.182 1.00 64.15 O ATOM 980 CB PHE A 62 -24.764 -18.071 -16.328 1.00 71.12 C ATOM 981 CG PHE A 62 -24.745 -16.620 -16.713 1.00 42.05 C ATOM 982 CD1 PHE A 62 -25.502 -16.162 -17.780 1.00 43.13 C ATOM 983 CD2 PHE A 62 -23.970 -15.712 -16.009 1.00 22.11 C ATOM 984 CE1 PHE A 62 -25.487 -14.827 -18.138 1.00 12.43 C ATOM 985 CE2 PHE A 62 -23.951 -14.376 -16.362 1.00 2.23 C ATOM 986 CZ PHE A 62 -24.709 -13.933 -17.427 1.00 63.14 C ATOM 0 H PHE A 62 -25.837 -18.892 -13.794 1.00 45.42 H new ATOM 0 HA PHE A 62 -26.913 -18.039 -16.400 1.00 43.32 H new ATOM 0 HB2 PHE A 62 -24.027 -18.240 -15.543 1.00 71.12 H new ATOM 0 HB3 PHE A 62 -24.459 -18.670 -17.186 1.00 71.12 H new ATOM 0 HD1 PHE A 62 -26.111 -16.857 -18.339 1.00 43.13 H new ATOM 0 HD2 PHE A 62 -23.374 -16.052 -15.175 1.00 22.11 H new ATOM 0 HE1 PHE A 62 -26.082 -14.483 -18.971 1.00 12.43 H new ATOM 0 HE2 PHE A 62 -23.343 -13.679 -15.805 1.00 2.23 H new ATOM 0 HZ PHE A 62 -24.694 -12.889 -17.704 1.00 63.14 H new ATOM 996 N THR A 63 -26.587 -20.416 -17.332 1.00 4.52 N ATOM 997 CA THR A 63 -26.751 -21.816 -17.702 1.00 42.12 C ATOM 998 C THR A 63 -25.440 -22.581 -17.557 1.00 42.23 C ATOM 999 O THR A 63 -25.378 -23.606 -16.878 1.00 14.44 O ATOM 1000 CB THR A 63 -27.257 -21.959 -19.149 1.00 51.23 C ATOM 1001 OG1 THR A 63 -27.969 -20.779 -19.538 1.00 2.41 O ATOM 1002 CG2 THR A 63 -28.164 -23.173 -19.288 1.00 45.50 C ATOM 0 H THR A 63 -26.735 -19.758 -18.097 1.00 4.52 H new ATOM 0 HA THR A 63 -27.492 -22.237 -17.022 1.00 42.12 H new ATOM 0 HB THR A 63 -26.394 -22.094 -19.800 1.00 51.23 H new ATOM 0 HG1 THR A 63 -28.286 -20.877 -20.460 1.00 2.41 H new ATOM 0 HG21 THR A 63 -28.509 -23.253 -20.319 1.00 45.50 H new ATOM 0 HG22 THR A 63 -27.611 -24.073 -19.019 1.00 45.50 H new ATOM 0 HG23 THR A 63 -29.023 -23.063 -18.626 1.00 45.50 H new ATOM 1010 N THR A 64 -24.391 -22.075 -18.199 1.00 62.33 N ATOM 1011 CA THR A 64 -23.080 -22.711 -18.141 1.00 60.24 C ATOM 1012 C THR A 64 -21.974 -21.676 -17.977 1.00 1.43 C ATOM 1013 O THR A 64 -22.201 -20.477 -18.146 1.00 72.24 O ATOM 1014 CB THR A 64 -22.804 -23.543 -19.408 1.00 21.14 C ATOM 1015 OG1 THR A 64 -22.949 -22.724 -20.574 1.00 20.24 O ATOM 1016 CG2 THR A 64 -23.753 -24.729 -19.494 1.00 51.11 C ATOM 0 H THR A 64 -24.424 -21.227 -18.765 1.00 62.33 H new ATOM 0 HA THR A 64 -23.087 -23.372 -17.274 1.00 60.24 H new ATOM 0 HB THR A 64 -21.782 -23.919 -19.353 1.00 21.14 H new ATOM 0 HG1 THR A 64 -22.770 -23.260 -21.375 1.00 20.24 H new ATOM 0 HG21 THR A 64 -23.539 -25.301 -20.397 1.00 51.11 H new ATOM 0 HG22 THR A 64 -23.619 -25.366 -18.620 1.00 51.11 H new ATOM 0 HG23 THR A 64 -24.782 -24.370 -19.527 1.00 51.11 H new ATOM 1024 N ARG A 65 -20.776 -22.144 -17.645 1.00 63.41 N ATOM 1025 CA ARG A 65 -19.633 -21.259 -17.457 1.00 62.13 C ATOM 1026 C ARG A 65 -19.431 -20.365 -18.677 1.00 72.03 C ATOM 1027 O ARG A 65 -19.145 -19.175 -18.547 1.00 31.22 O ATOM 1028 CB ARG A 65 -18.366 -22.074 -17.193 1.00 22.02 C ATOM 1029 CG ARG A 65 -18.189 -23.249 -18.141 1.00 35.23 C ATOM 1030 CD ARG A 65 -16.832 -23.911 -17.961 1.00 13.02 C ATOM 1031 NE ARG A 65 -16.893 -25.040 -17.036 1.00 24.40 N ATOM 1032 CZ ARG A 65 -17.391 -26.228 -17.359 1.00 15.23 C ATOM 1033 NH1 ARG A 65 -17.871 -26.441 -18.577 1.00 24.34 N ATOM 1034 NH2 ARG A 65 -17.411 -27.207 -16.462 1.00 44.11 N ATOM 0 H ARG A 65 -20.571 -23.133 -17.500 1.00 63.41 H new ATOM 0 HA ARG A 65 -19.835 -20.626 -16.593 1.00 62.13 H new ATOM 0 HB2 ARG A 65 -17.499 -21.418 -17.275 1.00 22.02 H new ATOM 0 HB3 ARG A 65 -18.390 -22.445 -16.168 1.00 22.02 H new ATOM 0 HG2 ARG A 65 -18.978 -23.981 -17.966 1.00 35.23 H new ATOM 0 HG3 ARG A 65 -18.294 -22.906 -19.170 1.00 35.23 H new ATOM 0 HD2 ARG A 65 -16.465 -24.254 -18.928 1.00 13.02 H new ATOM 0 HD3 ARG A 65 -16.117 -23.177 -17.590 1.00 13.02 H new ATOM 0 HE ARG A 65 -16.534 -24.909 -16.091 1.00 24.40 H new ATOM 0 HH11 ARG A 65 -17.858 -25.691 -19.269 1.00 24.34 H new ATOM 0 HH12 ARG A 65 -18.253 -27.355 -18.822 1.00 24.34 H new ATOM 0 HH21 ARG A 65 -17.044 -27.047 -15.524 1.00 44.11 H new ATOM 0 HH22 ARG A 65 -17.794 -28.119 -16.711 1.00 44.11 H new ATOM 1048 N GLU A 66 -19.580 -20.949 -19.863 1.00 41.11 N ATOM 1049 CA GLU A 66 -19.412 -20.205 -21.106 1.00 34.31 C ATOM 1050 C GLU A 66 -20.259 -18.936 -21.099 1.00 42.52 C ATOM 1051 O GLU A 66 -19.855 -17.903 -21.635 1.00 2.32 O ATOM 1052 CB GLU A 66 -19.793 -21.079 -22.304 1.00 42.43 C ATOM 1053 CG GLU A 66 -18.725 -22.091 -22.682 1.00 40.10 C ATOM 1054 CD GLU A 66 -19.159 -23.001 -23.814 1.00 4.33 C ATOM 1055 OE1 GLU A 66 -20.373 -23.053 -24.102 1.00 20.33 O ATOM 1056 OE2 GLU A 66 -18.284 -23.661 -24.413 1.00 1.32 O ATOM 0 H GLU A 66 -19.816 -21.933 -19.989 1.00 41.11 H new ATOM 0 HA GLU A 66 -18.363 -19.921 -21.191 1.00 34.31 H new ATOM 0 HB2 GLU A 66 -20.719 -21.608 -22.078 1.00 42.43 H new ATOM 0 HB3 GLU A 66 -19.994 -20.437 -23.162 1.00 42.43 H new ATOM 0 HG2 GLU A 66 -17.817 -21.564 -22.973 1.00 40.10 H new ATOM 0 HG3 GLU A 66 -18.477 -22.695 -21.809 1.00 40.10 H new ATOM 1063 N LEU A 67 -21.437 -19.019 -20.489 1.00 25.41 N ATOM 1064 CA LEU A 67 -22.341 -17.879 -20.412 1.00 53.14 C ATOM 1065 C LEU A 67 -21.760 -16.780 -19.527 1.00 31.54 C ATOM 1066 O LEU A 67 -21.895 -15.594 -19.823 1.00 23.03 O ATOM 1067 CB LEU A 67 -23.703 -18.318 -19.872 1.00 14.45 C ATOM 1068 CG LEU A 67 -24.909 -18.010 -20.759 1.00 63.44 C ATOM 1069 CD1 LEU A 67 -24.920 -16.542 -21.155 1.00 14.43 C ATOM 1070 CD2 LEU A 67 -24.902 -18.896 -21.996 1.00 24.10 C ATOM 0 H LEU A 67 -21.787 -19.865 -20.041 1.00 25.41 H new ATOM 0 HA LEU A 67 -22.468 -17.480 -21.418 1.00 53.14 H new ATOM 0 HB2 LEU A 67 -23.672 -19.393 -19.696 1.00 14.45 H new ATOM 0 HB3 LEU A 67 -23.858 -17.841 -18.904 1.00 14.45 H new ATOM 0 HG LEU A 67 -25.815 -18.219 -20.191 1.00 63.44 H new ATOM 0 HD11 LEU A 67 -25.786 -16.342 -21.786 1.00 14.43 H new ATOM 0 HD12 LEU A 67 -24.974 -15.924 -20.259 1.00 14.43 H new ATOM 0 HD13 LEU A 67 -24.008 -16.306 -21.704 1.00 14.43 H new ATOM 0 HD21 LEU A 67 -25.768 -18.663 -22.616 1.00 24.10 H new ATOM 0 HD22 LEU A 67 -23.990 -18.718 -22.566 1.00 24.10 H new ATOM 0 HD23 LEU A 67 -24.943 -19.943 -21.694 1.00 24.10 H new ATOM 1082 N ALA A 68 -21.113 -17.187 -18.439 1.00 50.41 N ATOM 1083 CA ALA A 68 -20.507 -16.238 -17.512 1.00 71.15 C ATOM 1084 C ALA A 68 -19.347 -15.495 -18.167 1.00 34.42 C ATOM 1085 O ALA A 68 -19.372 -14.270 -18.288 1.00 3.04 O ATOM 1086 CB ALA A 68 -20.036 -16.955 -16.256 1.00 24.22 C ATOM 0 H ALA A 68 -20.995 -18.166 -18.178 1.00 50.41 H new ATOM 0 HA ALA A 68 -21.264 -15.504 -17.235 1.00 71.15 H new ATOM 0 HB1 ALA A 68 -19.586 -16.235 -15.573 1.00 24.22 H new ATOM 0 HB2 ALA A 68 -20.886 -17.434 -15.770 1.00 24.22 H new ATOM 0 HB3 ALA A 68 -19.298 -17.711 -16.524 1.00 24.22 H new ATOM 1092 N ILE A 69 -18.333 -16.245 -18.587 1.00 2.21 N ATOM 1093 CA ILE A 69 -17.164 -15.657 -19.229 1.00 21.03 C ATOM 1094 C ILE A 69 -17.565 -14.813 -20.434 1.00 64.21 C ATOM 1095 O ILE A 69 -16.958 -13.779 -20.710 1.00 2.11 O ATOM 1096 CB ILE A 69 -16.168 -16.739 -19.683 1.00 24.20 C ATOM 1097 CG1 ILE A 69 -15.681 -17.552 -18.482 1.00 2.33 C ATOM 1098 CG2 ILE A 69 -14.991 -16.105 -20.412 1.00 74.34 C ATOM 1099 CD1 ILE A 69 -16.261 -18.948 -18.421 1.00 24.23 C ATOM 0 H ILE A 69 -18.298 -17.260 -18.494 1.00 2.21 H new ATOM 0 HA ILE A 69 -16.683 -15.020 -18.487 1.00 21.03 H new ATOM 0 HB ILE A 69 -16.677 -17.413 -20.372 1.00 24.20 H new ATOM 0 HG12 ILE A 69 -14.594 -17.620 -18.517 1.00 2.33 H new ATOM 0 HG13 ILE A 69 -15.938 -17.020 -17.566 1.00 2.33 H new ATOM 0 HG21 ILE A 69 -14.296 -16.883 -20.727 1.00 74.34 H new ATOM 0 HG22 ILE A 69 -15.353 -15.566 -21.288 1.00 74.34 H new ATOM 0 HG23 ILE A 69 -14.481 -15.411 -19.744 1.00 74.34 H new ATOM 0 HD11 ILE A 69 -15.872 -19.466 -17.544 1.00 24.23 H new ATOM 0 HD12 ILE A 69 -17.347 -18.888 -18.354 1.00 24.23 H new ATOM 0 HD13 ILE A 69 -15.982 -19.497 -19.320 1.00 24.23 H new ATOM 1111 N ALA A 70 -18.593 -15.261 -21.147 1.00 50.23 N ATOM 1112 CA ALA A 70 -19.078 -14.545 -22.321 1.00 33.02 C ATOM 1113 C ALA A 70 -19.711 -13.214 -21.929 1.00 44.31 C ATOM 1114 O ALA A 70 -19.771 -12.284 -22.734 1.00 13.12 O ATOM 1115 CB ALA A 70 -20.077 -15.401 -23.085 1.00 63.43 C ATOM 0 H ALA A 70 -19.106 -16.116 -20.932 1.00 50.23 H new ATOM 0 HA ALA A 70 -18.225 -14.336 -22.967 1.00 33.02 H new ATOM 0 HB1 ALA A 70 -20.431 -14.854 -23.959 1.00 63.43 H new ATOM 0 HB2 ALA A 70 -19.595 -16.324 -23.405 1.00 63.43 H new ATOM 0 HB3 ALA A 70 -20.922 -15.638 -22.439 1.00 63.43 H new ATOM 1121 N TYR A 71 -20.180 -13.130 -20.689 1.00 73.32 N ATOM 1122 CA TYR A 71 -20.812 -11.913 -20.192 1.00 61.31 C ATOM 1123 C TYR A 71 -19.763 -10.880 -19.792 1.00 24.14 C ATOM 1124 O TYR A 71 -19.865 -9.707 -20.145 1.00 42.45 O ATOM 1125 CB TYR A 71 -21.712 -12.232 -18.998 1.00 12.23 C ATOM 1126 CG TYR A 71 -22.333 -11.008 -18.364 1.00 71.44 C ATOM 1127 CD1 TYR A 71 -23.527 -10.483 -18.845 1.00 73.30 C ATOM 1128 CD2 TYR A 71 -21.727 -10.375 -17.286 1.00 61.21 C ATOM 1129 CE1 TYR A 71 -24.098 -9.364 -18.270 1.00 11.42 C ATOM 1130 CE2 TYR A 71 -22.291 -9.257 -16.704 1.00 33.32 C ATOM 1131 CZ TYR A 71 -23.477 -8.755 -17.199 1.00 12.33 C ATOM 1132 OH TYR A 71 -24.042 -7.641 -16.622 1.00 54.35 O ATOM 0 H TYR A 71 -20.135 -13.890 -20.010 1.00 73.32 H new ATOM 0 HA TYR A 71 -21.420 -11.495 -20.994 1.00 61.31 H new ATOM 0 HB2 TYR A 71 -22.506 -12.905 -19.322 1.00 12.23 H new ATOM 0 HB3 TYR A 71 -21.129 -12.764 -18.246 1.00 12.23 H new ATOM 0 HD1 TYR A 71 -24.017 -10.958 -19.682 1.00 73.30 H new ATOM 0 HD2 TYR A 71 -20.798 -10.764 -16.896 1.00 61.21 H new ATOM 0 HE1 TYR A 71 -25.025 -8.968 -18.657 1.00 11.42 H new ATOM 0 HE2 TYR A 71 -21.806 -8.778 -15.866 1.00 33.32 H new ATOM 0 HH TYR A 71 -23.479 -7.336 -15.880 1.00 54.35 H new ATOM 1142 N ALA A 72 -18.754 -11.328 -19.052 1.00 35.04 N ATOM 1143 CA ALA A 72 -17.684 -10.444 -18.603 1.00 63.52 C ATOM 1144 C ALA A 72 -16.842 -9.963 -19.780 1.00 53.43 C ATOM 1145 O ALA A 72 -16.679 -8.761 -19.989 1.00 74.12 O ATOM 1146 CB ALA A 72 -16.809 -11.152 -17.580 1.00 42.22 C ATOM 0 H ALA A 72 -18.655 -12.297 -18.751 1.00 35.04 H new ATOM 0 HA ALA A 72 -18.138 -9.572 -18.133 1.00 63.52 H new ATOM 0 HB1 ALA A 72 -16.015 -10.481 -17.254 1.00 42.22 H new ATOM 0 HB2 ALA A 72 -17.415 -11.442 -16.721 1.00 42.22 H new ATOM 0 HB3 ALA A 72 -16.370 -12.042 -18.031 1.00 42.22 H new ATOM 1152 N VAL A 73 -16.307 -10.909 -20.546 1.00 14.51 N ATOM 1153 CA VAL A 73 -15.481 -10.580 -21.702 1.00 33.13 C ATOM 1154 C VAL A 73 -16.192 -9.596 -22.623 1.00 53.11 C ATOM 1155 O VAL A 73 -15.556 -8.762 -23.267 1.00 40.13 O ATOM 1156 CB VAL A 73 -15.113 -11.842 -22.505 1.00 3.14 C ATOM 1157 CG1 VAL A 73 -14.282 -11.475 -23.724 1.00 24.04 C ATOM 1158 CG2 VAL A 73 -14.372 -12.836 -21.623 1.00 64.41 C ATOM 0 H VAL A 73 -16.431 -11.909 -20.387 1.00 14.51 H new ATOM 0 HA VAL A 73 -14.569 -10.122 -21.320 1.00 33.13 H new ATOM 0 HB VAL A 73 -16.033 -12.313 -22.851 1.00 3.14 H new ATOM 0 HG11 VAL A 73 -14.031 -12.379 -24.279 1.00 24.04 H new ATOM 0 HG12 VAL A 73 -14.853 -10.802 -24.364 1.00 24.04 H new ATOM 0 HG13 VAL A 73 -13.365 -10.980 -23.404 1.00 24.04 H new ATOM 0 HG21 VAL A 73 -14.119 -13.722 -22.206 1.00 64.41 H new ATOM 0 HG22 VAL A 73 -13.458 -12.377 -21.246 1.00 64.41 H new ATOM 0 HG23 VAL A 73 -15.007 -13.122 -20.785 1.00 64.41 H new ATOM 1168 N ALA A 74 -17.516 -9.696 -22.680 1.00 34.22 N ATOM 1169 CA ALA A 74 -18.315 -8.813 -23.521 1.00 2.23 C ATOM 1170 C ALA A 74 -17.975 -7.350 -23.256 1.00 42.23 C ATOM 1171 O ALA A 74 -18.075 -6.508 -24.150 1.00 4.12 O ATOM 1172 CB ALA A 74 -19.797 -9.062 -23.289 1.00 11.11 C ATOM 0 H ALA A 74 -18.058 -10.380 -22.153 1.00 34.22 H new ATOM 0 HA ALA A 74 -18.080 -9.032 -24.563 1.00 2.23 H new ATOM 0 HB1 ALA A 74 -20.382 -8.396 -23.923 1.00 11.11 H new ATOM 0 HB2 ALA A 74 -20.035 -10.097 -23.534 1.00 11.11 H new ATOM 0 HB3 ALA A 74 -20.039 -8.872 -22.243 1.00 11.11 H new ATOM 1178 N HIS A 75 -17.572 -7.053 -22.025 1.00 11.54 N ATOM 1179 CA HIS A 75 -17.217 -5.691 -21.644 1.00 53.41 C ATOM 1180 C HIS A 75 -15.786 -5.629 -21.119 1.00 53.42 C ATOM 1181 O HIS A 75 -15.433 -4.734 -20.350 1.00 71.34 O ATOM 1182 CB HIS A 75 -18.185 -5.167 -20.582 1.00 40.12 C ATOM 1183 CG HIS A 75 -19.483 -4.674 -21.146 1.00 64.51 C ATOM 1184 ND1 HIS A 75 -20.534 -5.510 -21.457 1.00 21.14 N ATOM 1185 CD2 HIS A 75 -19.896 -3.422 -21.453 1.00 1.02 C ATOM 1186 CE1 HIS A 75 -21.537 -4.794 -21.932 1.00 73.43 C ATOM 1187 NE2 HIS A 75 -21.176 -3.524 -21.940 1.00 63.12 N ATOM 0 H HIS A 75 -17.483 -7.738 -21.274 1.00 11.54 H new ATOM 0 HA HIS A 75 -17.287 -5.062 -22.531 1.00 53.41 H new ATOM 0 HB2 HIS A 75 -18.389 -5.961 -19.864 1.00 40.12 H new ATOM 0 HB3 HIS A 75 -17.705 -4.356 -20.033 1.00 40.12 H new ATOM 0 HD2 HIS A 75 -19.325 -2.512 -21.337 1.00 1.02 H new ATOM 0 HE1 HIS A 75 -22.491 -5.182 -22.259 1.00 73.43 H new ATOM 0 HE2 HIS A 75 -21.754 -2.745 -22.256 1.00 63.12 H new ATOM 1195 N LYS A 76 -14.965 -6.586 -21.538 1.00 72.33 N ATOM 1196 CA LYS A 76 -13.572 -6.641 -21.111 1.00 74.11 C ATOM 1197 C LYS A 76 -13.466 -6.574 -19.591 1.00 0.43 C ATOM 1198 O LYS A 76 -12.778 -5.709 -19.046 1.00 21.42 O ATOM 1199 CB LYS A 76 -12.779 -5.493 -21.740 1.00 33.31 C ATOM 1200 CG LYS A 76 -12.451 -5.713 -23.207 1.00 40.20 C ATOM 1201 CD LYS A 76 -11.115 -6.414 -23.380 1.00 5.41 C ATOM 1202 CE LYS A 76 -11.283 -7.924 -23.455 1.00 32.33 C ATOM 1203 NZ LYS A 76 -10.172 -8.570 -24.209 1.00 41.15 N ATOM 0 H LYS A 76 -15.241 -7.335 -22.173 1.00 72.33 H new ATOM 0 HA LYS A 76 -13.152 -7.590 -21.445 1.00 74.11 H new ATOM 0 HB2 LYS A 76 -13.350 -4.570 -21.638 1.00 33.31 H new ATOM 0 HB3 LYS A 76 -11.851 -5.357 -21.185 1.00 33.31 H new ATOM 0 HG2 LYS A 76 -13.238 -6.307 -23.672 1.00 40.20 H new ATOM 0 HG3 LYS A 76 -12.429 -4.754 -23.724 1.00 40.20 H new ATOM 0 HD2 LYS A 76 -10.630 -6.055 -24.288 1.00 5.41 H new ATOM 0 HD3 LYS A 76 -10.460 -6.161 -22.547 1.00 5.41 H new ATOM 0 HE2 LYS A 76 -11.324 -8.335 -22.446 1.00 32.33 H new ATOM 0 HE3 LYS A 76 -12.233 -8.160 -23.935 1.00 32.33 H new ATOM 0 HZ1 LYS A 76 -10.324 -9.598 -24.237 1.00 41.15 H new ATOM 0 HZ2 LYS A 76 -10.148 -8.197 -25.179 1.00 41.15 H new ATOM 0 HZ3 LYS A 76 -9.268 -8.366 -23.737 1.00 41.15 H new ATOM 1217 N ILE A 77 -14.149 -7.490 -18.913 1.00 61.32 N ATOM 1218 CA ILE A 77 -14.128 -7.535 -17.456 1.00 71.25 C ATOM 1219 C ILE A 77 -13.336 -8.738 -16.955 1.00 31.21 C ATOM 1220 O ILE A 77 -13.383 -9.817 -17.548 1.00 11.51 O ATOM 1221 CB ILE A 77 -15.552 -7.593 -16.875 1.00 73.52 C ATOM 1222 CG1 ILE A 77 -16.370 -6.391 -17.349 1.00 63.34 C ATOM 1223 CG2 ILE A 77 -15.503 -7.642 -15.355 1.00 43.53 C ATOM 1224 CD1 ILE A 77 -17.860 -6.554 -17.145 1.00 13.21 C ATOM 0 H ILE A 77 -14.724 -8.211 -19.349 1.00 61.32 H new ATOM 0 HA ILE A 77 -13.644 -6.619 -17.118 1.00 71.25 H new ATOM 0 HB ILE A 77 -16.037 -8.501 -17.233 1.00 73.52 H new ATOM 0 HG12 ILE A 77 -16.034 -5.501 -16.817 1.00 63.34 H new ATOM 0 HG13 ILE A 77 -16.173 -6.223 -18.408 1.00 63.34 H new ATOM 0 HG21 ILE A 77 -16.518 -7.683 -14.959 1.00 43.53 H new ATOM 0 HG22 ILE A 77 -14.954 -8.528 -15.037 1.00 43.53 H new ATOM 0 HG23 ILE A 77 -15.002 -6.750 -14.978 1.00 43.53 H new ATOM 0 HD11 ILE A 77 -18.376 -5.663 -17.504 1.00 13.21 H new ATOM 0 HD12 ILE A 77 -18.210 -7.425 -17.700 1.00 13.21 H new ATOM 0 HD13 ILE A 77 -18.069 -6.692 -16.084 1.00 13.21 H new ATOM 1236 N ASP A 78 -12.611 -8.547 -15.858 1.00 64.54 N ATOM 1237 CA ASP A 78 -11.811 -9.617 -15.275 1.00 42.25 C ATOM 1238 C ASP A 78 -12.702 -10.659 -14.605 1.00 52.54 C ATOM 1239 O ASP A 78 -13.232 -10.428 -13.518 1.00 33.41 O ATOM 1240 CB ASP A 78 -10.820 -9.046 -14.260 1.00 3.42 C ATOM 1241 CG ASP A 78 -9.589 -8.457 -14.919 1.00 44.34 C ATOM 1242 OD1 ASP A 78 -8.906 -9.191 -15.665 1.00 71.25 O ATOM 1243 OD2 ASP A 78 -9.308 -7.262 -14.692 1.00 72.10 O ATOM 0 H ASP A 78 -12.561 -7.661 -15.355 1.00 64.54 H new ATOM 0 HA ASP A 78 -11.257 -10.102 -16.078 1.00 42.25 H new ATOM 0 HB2 ASP A 78 -11.315 -8.276 -13.668 1.00 3.42 H new ATOM 0 HB3 ASP A 78 -10.517 -9.834 -13.570 1.00 3.42 H new ATOM 1248 N TYR A 79 -12.863 -11.801 -15.261 1.00 24.33 N ATOM 1249 CA TYR A 79 -13.692 -12.877 -14.730 1.00 54.32 C ATOM 1250 C TYR A 79 -12.835 -13.957 -14.080 1.00 25.11 C ATOM 1251 O TYR A 79 -11.859 -14.430 -14.666 1.00 41.53 O ATOM 1252 CB TYR A 79 -14.545 -13.488 -15.843 1.00 62.24 C ATOM 1253 CG TYR A 79 -13.733 -14.060 -16.983 1.00 22.24 C ATOM 1254 CD1 TYR A 79 -13.371 -13.273 -18.069 1.00 54.11 C ATOM 1255 CD2 TYR A 79 -13.328 -15.390 -16.975 1.00 53.11 C ATOM 1256 CE1 TYR A 79 -12.630 -13.792 -19.112 1.00 65.12 C ATOM 1257 CE2 TYR A 79 -12.586 -15.916 -18.013 1.00 24.35 C ATOM 1258 CZ TYR A 79 -12.239 -15.114 -19.080 1.00 73.34 C ATOM 1259 OH TYR A 79 -11.500 -15.636 -20.118 1.00 12.53 O ATOM 0 H TYR A 79 -12.431 -12.007 -16.162 1.00 24.33 H new ATOM 0 HA TYR A 79 -14.347 -12.454 -13.969 1.00 54.32 H new ATOM 0 HB2 TYR A 79 -15.168 -14.276 -15.421 1.00 62.24 H new ATOM 0 HB3 TYR A 79 -15.218 -12.725 -16.234 1.00 62.24 H new ATOM 0 HD1 TYR A 79 -13.675 -12.237 -18.098 1.00 54.11 H new ATOM 0 HD2 TYR A 79 -13.599 -16.022 -16.142 1.00 53.11 H new ATOM 0 HE1 TYR A 79 -12.358 -13.166 -19.949 1.00 65.12 H new ATOM 0 HE2 TYR A 79 -12.278 -16.951 -17.990 1.00 24.35 H new ATOM 0 HH TYR A 79 -11.306 -16.580 -19.939 1.00 12.53 H new ATOM 1269 N THR A 80 -13.204 -14.346 -12.864 1.00 73.40 N ATOM 1270 CA THR A 80 -12.470 -15.370 -12.132 1.00 63.12 C ATOM 1271 C THR A 80 -13.316 -16.623 -11.940 1.00 34.52 C ATOM 1272 O THR A 80 -14.426 -16.560 -11.410 1.00 41.33 O ATOM 1273 CB THR A 80 -12.013 -14.858 -10.754 1.00 14.50 C ATOM 1274 OG1 THR A 80 -11.349 -15.904 -10.037 1.00 11.51 O ATOM 1275 CG2 THR A 80 -13.199 -14.354 -9.943 1.00 31.33 C ATOM 0 H THR A 80 -14.008 -13.966 -12.365 1.00 73.40 H new ATOM 0 HA THR A 80 -11.592 -15.616 -12.730 1.00 63.12 H new ATOM 0 HB THR A 80 -11.321 -14.030 -10.910 1.00 14.50 H new ATOM 0 HG1 THR A 80 -11.060 -15.569 -9.162 1.00 11.51 H new ATOM 0 HG21 THR A 80 -12.852 -13.997 -8.973 1.00 31.33 H new ATOM 0 HG22 THR A 80 -13.684 -13.537 -10.477 1.00 31.33 H new ATOM 0 HG23 THR A 80 -13.911 -15.166 -9.797 1.00 31.33 H new ATOM 1283 N VAL A 81 -12.786 -17.762 -12.374 1.00 60.31 N ATOM 1284 CA VAL A 81 -13.494 -19.031 -12.249 1.00 5.40 C ATOM 1285 C VAL A 81 -13.209 -19.688 -10.903 1.00 5.43 C ATOM 1286 O VAL A 81 -12.076 -20.080 -10.618 1.00 3.51 O ATOM 1287 CB VAL A 81 -13.103 -20.006 -13.376 1.00 50.42 C ATOM 1288 CG1 VAL A 81 -13.936 -21.276 -13.297 1.00 12.13 C ATOM 1289 CG2 VAL A 81 -13.260 -19.338 -14.734 1.00 2.13 C ATOM 0 H VAL A 81 -11.869 -17.832 -12.815 1.00 60.31 H new ATOM 0 HA VAL A 81 -14.558 -18.808 -12.324 1.00 5.40 H new ATOM 0 HB VAL A 81 -12.056 -20.280 -13.250 1.00 50.42 H new ATOM 0 HG11 VAL A 81 -13.646 -21.952 -14.101 1.00 12.13 H new ATOM 0 HG12 VAL A 81 -13.768 -21.762 -12.336 1.00 12.13 H new ATOM 0 HG13 VAL A 81 -14.992 -21.025 -13.398 1.00 12.13 H new ATOM 0 HG21 VAL A 81 -12.980 -20.040 -15.519 1.00 2.13 H new ATOM 0 HG22 VAL A 81 -14.298 -19.034 -14.872 1.00 2.13 H new ATOM 0 HG23 VAL A 81 -12.615 -18.461 -14.785 1.00 2.13 H new ATOM 1299 N LEU A 82 -14.243 -19.807 -10.078 1.00 60.42 N ATOM 1300 CA LEU A 82 -14.105 -20.418 -8.760 1.00 71.25 C ATOM 1301 C LEU A 82 -14.589 -21.864 -8.778 1.00 0.13 C ATOM 1302 O LEU A 82 -15.760 -22.133 -9.043 1.00 11.44 O ATOM 1303 CB LEU A 82 -14.892 -19.617 -7.721 1.00 3.34 C ATOM 1304 CG LEU A 82 -14.267 -19.531 -6.328 1.00 33.14 C ATOM 1305 CD1 LEU A 82 -14.838 -18.350 -5.558 1.00 73.35 C ATOM 1306 CD2 LEU A 82 -14.491 -20.827 -5.562 1.00 23.40 C ATOM 0 H LEU A 82 -15.187 -19.488 -10.298 1.00 60.42 H new ATOM 0 HA LEU A 82 -13.049 -20.411 -8.491 1.00 71.25 H new ATOM 0 HB2 LEU A 82 -15.029 -18.604 -8.099 1.00 3.34 H new ATOM 0 HB3 LEU A 82 -15.884 -20.058 -7.626 1.00 3.34 H new ATOM 0 HG LEU A 82 -13.194 -19.380 -6.442 1.00 33.14 H new ATOM 0 HD11 LEU A 82 -14.381 -18.305 -4.569 1.00 73.35 H new ATOM 0 HD12 LEU A 82 -14.626 -17.427 -6.098 1.00 73.35 H new ATOM 0 HD13 LEU A 82 -15.916 -18.470 -5.454 1.00 73.35 H new ATOM 0 HD21 LEU A 82 -14.040 -20.748 -4.573 1.00 23.40 H new ATOM 0 HD22 LEU A 82 -15.561 -21.009 -5.459 1.00 23.40 H new ATOM 0 HD23 LEU A 82 -14.033 -21.654 -6.105 1.00 23.40 H new ATOM 1318 N GLN A 83 -13.680 -22.790 -8.491 1.00 24.33 N ATOM 1319 CA GLN A 83 -14.015 -24.209 -8.471 1.00 43.15 C ATOM 1320 C GLN A 83 -13.634 -24.841 -7.137 1.00 55.45 C ATOM 1321 O GLN A 83 -12.605 -24.504 -6.551 1.00 20.52 O ATOM 1322 CB GLN A 83 -13.306 -24.938 -9.615 1.00 10.21 C ATOM 1323 CG GLN A 83 -11.808 -24.684 -9.661 1.00 43.52 C ATOM 1324 CD GLN A 83 -11.098 -25.561 -10.673 1.00 42.35 C ATOM 1325 OE1 GLN A 83 -10.752 -26.707 -10.386 1.00 11.22 O ATOM 1326 NE2 GLN A 83 -10.877 -25.026 -11.869 1.00 51.33 N ATOM 0 H GLN A 83 -12.706 -22.583 -8.269 1.00 24.33 H new ATOM 0 HA GLN A 83 -15.093 -24.303 -8.601 1.00 43.15 H new ATOM 0 HB2 GLN A 83 -13.482 -26.009 -9.517 1.00 10.21 H new ATOM 0 HB3 GLN A 83 -13.748 -24.628 -10.562 1.00 10.21 H new ATOM 0 HG2 GLN A 83 -11.628 -23.637 -9.904 1.00 43.52 H new ATOM 0 HG3 GLN A 83 -11.383 -24.859 -8.673 1.00 43.52 H new ATOM 0 HE21 GLN A 83 -11.180 -24.072 -12.065 1.00 51.33 H new ATOM 0 HE22 GLN A 83 -10.404 -25.569 -12.591 1.00 51.33 H new ATOM 1335 N ASP A 84 -14.471 -25.756 -6.662 1.00 32.34 N ATOM 1336 CA ASP A 84 -14.223 -26.435 -5.395 1.00 4.33 C ATOM 1337 C ASP A 84 -13.643 -27.827 -5.630 1.00 1.11 C ATOM 1338 O ASP A 84 -14.007 -28.509 -6.587 1.00 40.32 O ATOM 1339 CB ASP A 84 -15.515 -26.538 -4.585 1.00 11.52 C ATOM 1340 CG ASP A 84 -15.257 -26.664 -3.096 1.00 31.15 C ATOM 1341 OD1 ASP A 84 -14.493 -25.838 -2.554 1.00 60.03 O ATOM 1342 OD2 ASP A 84 -15.818 -27.589 -2.472 1.00 73.15 O ATOM 0 H ASP A 84 -15.327 -26.045 -7.135 1.00 32.34 H new ATOM 0 HA ASP A 84 -13.497 -25.848 -4.832 1.00 4.33 H new ATOM 0 HB2 ASP A 84 -16.128 -25.656 -4.771 1.00 11.52 H new ATOM 0 HB3 ASP A 84 -16.086 -27.401 -4.926 1.00 11.52 H new ATOM 1347 N ASN A 85 -12.737 -28.241 -4.749 1.00 60.54 N ATOM 1348 CA ASN A 85 -12.105 -29.550 -4.862 1.00 30.55 C ATOM 1349 C ASN A 85 -11.374 -29.689 -6.194 1.00 73.23 C ATOM 1350 O ASN A 85 -11.788 -30.434 -7.083 1.00 2.41 O ATOM 1351 CB ASN A 85 -13.151 -30.658 -4.723 1.00 22.21 C ATOM 1352 CG ASN A 85 -12.523 -32.025 -4.536 1.00 34.24 C ATOM 1353 OD1 ASN A 85 -11.310 -32.146 -4.364 1.00 21.20 O ATOM 1354 ND2 ASN A 85 -13.350 -33.066 -4.566 1.00 50.43 N ATOM 0 H ASN A 85 -12.425 -27.689 -3.950 1.00 60.54 H new ATOM 0 HA ASN A 85 -11.376 -29.644 -4.057 1.00 30.55 H new ATOM 0 HB2 ASN A 85 -13.798 -30.439 -3.873 1.00 22.21 H new ATOM 0 HB3 ASN A 85 -13.784 -30.670 -5.610 1.00 22.21 H new ATOM 0 HD21 ASN A 85 -12.985 -34.011 -4.444 1.00 50.43 H new ATOM 0 HD22 ASN A 85 -14.349 -32.920 -4.711 1.00 50.43 H new ATOM 1361 N PRO A 86 -10.260 -28.955 -6.337 1.00 31.42 N ATOM 1362 CA PRO A 86 -9.447 -28.980 -7.557 1.00 34.32 C ATOM 1363 C PRO A 86 -8.715 -30.306 -7.739 1.00 40.31 C ATOM 1364 O PRO A 86 -8.276 -30.921 -6.768 1.00 14.14 O ATOM 1365 CB PRO A 86 -8.447 -27.842 -7.339 1.00 61.25 C ATOM 1366 CG PRO A 86 -8.348 -27.703 -5.859 1.00 45.33 C ATOM 1367 CD PRO A 86 -9.709 -28.046 -5.319 1.00 41.14 C ATOM 0 HA PRO A 86 -10.055 -28.866 -8.455 1.00 34.32 H new ATOM 0 HB2 PRO A 86 -7.478 -28.076 -7.780 1.00 61.25 H new ATOM 0 HB3 PRO A 86 -8.793 -26.917 -7.801 1.00 61.25 H new ATOM 0 HG2 PRO A 86 -7.588 -28.371 -5.454 1.00 45.33 H new ATOM 0 HG3 PRO A 86 -8.062 -26.689 -5.581 1.00 45.33 H new ATOM 0 HD2 PRO A 86 -9.645 -28.527 -4.343 1.00 41.14 H new ATOM 0 HD3 PRO A 86 -10.328 -27.157 -5.196 1.00 41.14 H new ATOM 1375 N ARG A 87 -8.586 -30.738 -8.988 1.00 74.42 N ATOM 1376 CA ARG A 87 -7.908 -31.992 -9.296 1.00 64.25 C ATOM 1377 C ARG A 87 -6.851 -31.786 -10.377 1.00 4.51 C ATOM 1378 O ARG A 87 -7.146 -31.292 -11.466 1.00 53.14 O ATOM 1379 CB ARG A 87 -8.919 -33.045 -9.752 1.00 72.35 C ATOM 1380 CG ARG A 87 -9.906 -33.451 -8.671 1.00 54.42 C ATOM 1381 CD ARG A 87 -9.199 -34.054 -7.468 1.00 25.42 C ATOM 1382 NE ARG A 87 -8.416 -35.234 -7.829 1.00 44.43 N ATOM 1383 CZ ARG A 87 -7.428 -35.716 -7.084 1.00 1.12 C ATOM 1384 NH1 ARG A 87 -7.104 -35.125 -5.942 1.00 33.30 N ATOM 1385 NH2 ARG A 87 -6.762 -36.794 -7.480 1.00 11.20 N ATOM 0 H ARG A 87 -8.942 -30.239 -9.803 1.00 74.42 H new ATOM 0 HA ARG A 87 -7.414 -32.341 -8.389 1.00 64.25 H new ATOM 0 HB2 ARG A 87 -9.471 -32.659 -10.609 1.00 72.35 H new ATOM 0 HB3 ARG A 87 -8.381 -33.930 -10.091 1.00 72.35 H new ATOM 0 HG2 ARG A 87 -10.482 -32.580 -8.357 1.00 54.42 H new ATOM 0 HG3 ARG A 87 -10.615 -34.173 -9.077 1.00 54.42 H new ATOM 0 HD2 ARG A 87 -8.544 -33.307 -7.020 1.00 25.42 H new ATOM 0 HD3 ARG A 87 -9.936 -34.325 -6.712 1.00 25.42 H new ATOM 0 HE ARG A 87 -8.641 -35.714 -8.701 1.00 44.43 H new ATOM 0 HH11 ARG A 87 -7.614 -34.297 -5.633 1.00 33.30 H new ATOM 0 HH12 ARG A 87 -6.345 -35.498 -5.372 1.00 33.30 H new ATOM 0 HH21 ARG A 87 -7.009 -37.253 -8.357 1.00 11.20 H new ATOM 0 HH22 ARG A 87 -6.003 -37.164 -6.907 1.00 11.20 H new ATOM 1399 N THR A 88 -5.614 -32.166 -10.069 1.00 15.43 N ATOM 1400 CA THR A 88 -4.512 -32.021 -11.011 1.00 51.40 C ATOM 1401 C THR A 88 -4.567 -33.096 -12.090 1.00 20.51 C ATOM 1402 O THR A 88 -4.278 -34.265 -11.830 1.00 54.12 O ATOM 1403 CB THR A 88 -3.149 -32.096 -10.296 1.00 62.14 C ATOM 1404 OG1 THR A 88 -3.086 -31.111 -9.258 1.00 25.20 O ATOM 1405 CG2 THR A 88 -2.010 -31.876 -11.281 1.00 70.44 C ATOM 0 H THR A 88 -5.351 -32.577 -9.173 1.00 15.43 H new ATOM 0 HA THR A 88 -4.618 -31.040 -11.474 1.00 51.40 H new ATOM 0 HB THR A 88 -3.045 -33.090 -9.860 1.00 62.14 H new ATOM 0 HG1 THR A 88 -2.218 -31.166 -8.807 1.00 25.20 H new ATOM 0 HG21 THR A 88 -1.057 -31.933 -10.754 1.00 70.44 H new ATOM 0 HG22 THR A 88 -2.044 -32.644 -12.054 1.00 70.44 H new ATOM 0 HG23 THR A 88 -2.112 -30.893 -11.741 1.00 70.44 H new ATOM 1413 N ILE A 89 -4.938 -32.694 -13.300 1.00 60.14 N ATOM 1414 CA ILE A 89 -5.029 -33.623 -14.420 1.00 32.35 C ATOM 1415 C ILE A 89 -3.852 -33.451 -15.374 1.00 72.32 C ATOM 1416 O ILE A 89 -3.074 -32.504 -15.253 1.00 22.44 O ATOM 1417 CB ILE A 89 -6.343 -33.437 -15.201 1.00 44.13 C ATOM 1418 CG1 ILE A 89 -6.491 -31.982 -15.651 1.00 71.54 C ATOM 1419 CG2 ILE A 89 -7.530 -33.858 -14.350 1.00 75.11 C ATOM 1420 CD1 ILE A 89 -7.649 -31.758 -16.599 1.00 60.33 C ATOM 0 H ILE A 89 -5.181 -31.731 -13.531 1.00 60.14 H new ATOM 0 HA ILE A 89 -5.007 -34.628 -13.999 1.00 32.35 H new ATOM 0 HB ILE A 89 -6.315 -34.071 -16.087 1.00 44.13 H new ATOM 0 HG12 ILE A 89 -6.623 -31.350 -14.773 1.00 71.54 H new ATOM 0 HG13 ILE A 89 -5.568 -31.664 -16.136 1.00 71.54 H new ATOM 0 HG21 ILE A 89 -8.451 -33.720 -14.917 1.00 75.11 H new ATOM 0 HG22 ILE A 89 -7.427 -34.908 -14.075 1.00 75.11 H new ATOM 0 HG23 ILE A 89 -7.565 -33.248 -13.447 1.00 75.11 H new ATOM 0 HD11 ILE A 89 -7.694 -30.705 -16.876 1.00 60.33 H new ATOM 0 HD12 ILE A 89 -7.509 -32.363 -17.494 1.00 60.33 H new ATOM 0 HD13 ILE A 89 -8.580 -32.044 -16.110 1.00 60.33 H new ATOM 1432 N VAL A 90 -3.730 -34.371 -16.326 1.00 64.04 N ATOM 1433 CA VAL A 90 -2.651 -34.319 -17.306 1.00 4.45 C ATOM 1434 C VAL A 90 -3.179 -34.539 -18.718 1.00 20.41 C ATOM 1435 O VAL A 90 -3.056 -35.623 -19.291 1.00 53.34 O ATOM 1436 CB VAL A 90 -1.569 -35.372 -17.003 1.00 25.11 C ATOM 1437 CG1 VAL A 90 -2.191 -36.753 -16.861 1.00 52.10 C ATOM 1438 CG2 VAL A 90 -0.503 -35.368 -18.089 1.00 74.23 C ATOM 0 H VAL A 90 -4.365 -35.161 -16.439 1.00 64.04 H new ATOM 0 HA VAL A 90 -2.209 -33.325 -17.239 1.00 4.45 H new ATOM 0 HB VAL A 90 -1.093 -35.116 -16.057 1.00 25.11 H new ATOM 0 HG11 VAL A 90 -1.411 -37.483 -16.647 1.00 52.10 H new ATOM 0 HG12 VAL A 90 -2.914 -36.744 -16.045 1.00 52.10 H new ATOM 0 HG13 VAL A 90 -2.695 -37.022 -17.789 1.00 52.10 H new ATOM 0 HG21 VAL A 90 0.254 -36.118 -17.859 1.00 74.23 H new ATOM 0 HG22 VAL A 90 -0.962 -35.599 -19.050 1.00 74.23 H new ATOM 0 HG23 VAL A 90 -0.036 -34.384 -18.137 1.00 74.23 H new ATOM 1448 N PRO A 91 -3.782 -33.490 -19.296 1.00 10.42 N ATOM 1449 CA PRO A 91 -4.340 -33.543 -20.650 1.00 3.22 C ATOM 1450 C PRO A 91 -3.258 -33.635 -21.720 1.00 10.32 C ATOM 1451 O PRO A 91 -2.626 -32.637 -22.065 1.00 63.12 O ATOM 1452 CB PRO A 91 -5.102 -32.221 -20.772 1.00 43.22 C ATOM 1453 CG PRO A 91 -4.426 -31.304 -19.811 1.00 34.40 C ATOM 1454 CD PRO A 91 -3.964 -32.169 -18.671 1.00 2.11 C ATOM 0 HA PRO A 91 -4.963 -34.425 -20.800 1.00 3.22 H new ATOM 0 HB2 PRO A 91 -5.058 -31.831 -21.789 1.00 43.22 H new ATOM 0 HB3 PRO A 91 -6.156 -32.347 -20.524 1.00 43.22 H new ATOM 0 HG2 PRO A 91 -3.584 -30.796 -20.282 1.00 34.40 H new ATOM 0 HG3 PRO A 91 -5.110 -30.531 -19.462 1.00 34.40 H new ATOM 0 HD2 PRO A 91 -3.035 -31.799 -18.237 1.00 2.11 H new ATOM 0 HD3 PRO A 91 -4.700 -32.203 -17.868 1.00 2.11 H new ATOM 1462 N LYS A 92 -3.048 -34.839 -22.241 1.00 71.13 N ATOM 1463 CA LYS A 92 -2.044 -35.063 -23.274 1.00 42.43 C ATOM 1464 C LYS A 92 -2.295 -34.164 -24.481 1.00 72.11 C ATOM 1465 O LYS A 92 -3.442 -33.923 -24.860 1.00 2.45 O ATOM 1466 CB LYS A 92 -2.046 -36.529 -23.708 1.00 20.31 C ATOM 1467 CG LYS A 92 -3.410 -37.032 -24.149 1.00 4.52 C ATOM 1468 CD LYS A 92 -3.431 -38.545 -24.280 1.00 33.52 C ATOM 1469 CE LYS A 92 -4.539 -39.009 -25.213 1.00 11.41 C ATOM 1470 NZ LYS A 92 -4.239 -40.337 -25.814 1.00 22.32 N ATOM 0 H LYS A 92 -3.561 -35.676 -21.964 1.00 71.13 H new ATOM 0 HA LYS A 92 -1.068 -34.816 -22.856 1.00 42.43 H new ATOM 0 HB2 LYS A 92 -1.339 -36.657 -24.527 1.00 20.31 H new ATOM 0 HB3 LYS A 92 -1.691 -37.144 -22.881 1.00 20.31 H new ATOM 0 HG2 LYS A 92 -4.165 -36.718 -23.428 1.00 4.52 H new ATOM 0 HG3 LYS A 92 -3.674 -36.580 -25.105 1.00 4.52 H new ATOM 0 HD2 LYS A 92 -2.468 -38.892 -24.656 1.00 33.52 H new ATOM 0 HD3 LYS A 92 -3.570 -38.994 -23.297 1.00 33.52 H new ATOM 0 HE2 LYS A 92 -5.478 -39.064 -24.662 1.00 11.41 H new ATOM 0 HE3 LYS A 92 -4.677 -38.274 -26.006 1.00 11.41 H new ATOM 0 HZ1 LYS A 92 -5.018 -40.617 -26.443 1.00 22.32 H new ATOM 0 HZ2 LYS A 92 -3.356 -40.279 -26.361 1.00 22.32 H new ATOM 0 HZ3 LYS A 92 -4.133 -41.044 -25.059 1.00 22.32 H new ATOM 1484 N SER A 93 -1.217 -33.672 -25.082 1.00 24.50 N ATOM 1485 CA SER A 93 -1.321 -32.799 -26.246 1.00 44.21 C ATOM 1486 C SER A 93 -1.575 -33.610 -27.513 1.00 74.10 C ATOM 1487 O SER A 93 -1.041 -34.707 -27.679 1.00 71.15 O ATOM 1488 CB SER A 93 -0.044 -31.971 -26.404 1.00 40.41 C ATOM 1489 OG SER A 93 1.003 -32.749 -26.958 1.00 34.11 O ATOM 0 H SER A 93 -0.261 -33.863 -24.782 1.00 24.50 H new ATOM 0 HA SER A 93 -2.165 -32.127 -26.091 1.00 44.21 H new ATOM 0 HB2 SER A 93 -0.241 -31.112 -27.045 1.00 40.41 H new ATOM 0 HB3 SER A 93 0.263 -31.581 -25.433 1.00 40.41 H new ATOM 0 HG SER A 93 1.807 -32.197 -27.050 1.00 34.11 H new ATOM 1495 N TYR A 94 -2.395 -33.061 -28.403 1.00 61.41 N ATOM 1496 CA TYR A 94 -2.723 -33.734 -29.654 1.00 63.15 C ATOM 1497 C TYR A 94 -3.403 -32.775 -30.626 1.00 54.42 C ATOM 1498 O TYR A 94 -4.381 -32.112 -30.280 1.00 55.12 O ATOM 1499 CB TYR A 94 -3.630 -34.936 -29.390 1.00 33.11 C ATOM 1500 CG TYR A 94 -3.556 -36.000 -30.462 1.00 0.42 C ATOM 1501 CD1 TYR A 94 -2.455 -36.843 -30.556 1.00 61.13 C ATOM 1502 CD2 TYR A 94 -4.584 -36.160 -31.382 1.00 2.02 C ATOM 1503 CE1 TYR A 94 -2.382 -37.816 -31.535 1.00 11.54 C ATOM 1504 CE2 TYR A 94 -4.520 -37.131 -32.363 1.00 22.04 C ATOM 1505 CZ TYR A 94 -3.417 -37.955 -32.435 1.00 72.31 C ATOM 1506 OH TYR A 94 -3.349 -38.922 -33.412 1.00 30.42 O ATOM 0 H TYR A 94 -2.844 -32.153 -28.281 1.00 61.41 H new ATOM 0 HA TYR A 94 -1.793 -34.081 -30.104 1.00 63.15 H new ATOM 0 HB2 TYR A 94 -3.361 -35.379 -28.431 1.00 33.11 H new ATOM 0 HB3 TYR A 94 -4.660 -34.591 -29.304 1.00 33.11 H new ATOM 0 HD1 TYR A 94 -1.643 -36.736 -29.852 1.00 61.13 H new ATOM 0 HD2 TYR A 94 -5.448 -35.514 -31.330 1.00 2.02 H new ATOM 0 HE1 TYR A 94 -1.520 -38.463 -31.595 1.00 11.54 H new ATOM 0 HE2 TYR A 94 -5.329 -37.244 -33.069 1.00 22.04 H new ATOM 0 HH TYR A 94 -4.159 -38.888 -33.963 1.00 30.42 H new ATOM 1516 N ALA A 95 -2.878 -32.706 -31.845 1.00 42.14 N ATOM 1517 CA ALA A 95 -3.435 -31.830 -32.869 1.00 11.30 C ATOM 1518 C ALA A 95 -4.381 -32.593 -33.789 1.00 33.53 C ATOM 1519 O ALA A 95 -4.189 -33.782 -34.045 1.00 13.32 O ATOM 1520 CB ALA A 95 -2.319 -31.184 -33.675 1.00 2.01 C ATOM 0 H ALA A 95 -2.068 -33.246 -32.148 1.00 42.14 H new ATOM 0 HA ALA A 95 -4.008 -31.048 -32.370 1.00 11.30 H new ATOM 0 HB1 ALA A 95 -2.750 -30.533 -34.436 1.00 2.01 H new ATOM 0 HB2 ALA A 95 -1.684 -30.597 -33.012 1.00 2.01 H new ATOM 0 HB3 ALA A 95 -1.722 -31.959 -34.156 1.00 2.01 H new ATOM 1526 N ASP A 96 -5.404 -31.903 -34.283 1.00 64.12 N ATOM 1527 CA ASP A 96 -6.380 -32.517 -35.176 1.00 44.23 C ATOM 1528 C ASP A 96 -6.998 -31.476 -36.104 1.00 2.31 C ATOM 1529 O ASP A 96 -7.183 -30.321 -35.721 1.00 32.21 O ATOM 1530 CB ASP A 96 -7.476 -33.212 -34.367 1.00 53.42 C ATOM 1531 CG ASP A 96 -8.119 -34.356 -35.125 1.00 64.31 C ATOM 1532 OD1 ASP A 96 -8.879 -34.084 -36.078 1.00 41.55 O ATOM 1533 OD2 ASP A 96 -7.862 -35.525 -34.767 1.00 51.31 O ATOM 0 H ASP A 96 -5.579 -30.919 -34.080 1.00 64.12 H new ATOM 0 HA ASP A 96 -5.863 -33.259 -35.785 1.00 44.23 H new ATOM 0 HB2 ASP A 96 -7.052 -33.590 -33.436 1.00 53.42 H new ATOM 0 HB3 ASP A 96 -8.241 -32.484 -34.097 1.00 53.42 H new ATOM 1538 N ASN A 97 -7.312 -31.892 -37.326 1.00 60.21 N ATOM 1539 CA ASN A 97 -7.907 -30.995 -38.310 1.00 64.23 C ATOM 1540 C ASN A 97 -9.313 -30.580 -37.888 1.00 10.22 C ATOM 1541 O ASN A 97 -10.244 -31.385 -37.917 1.00 61.01 O ATOM 1542 CB ASN A 97 -7.952 -31.667 -39.683 1.00 23.44 C ATOM 1543 CG ASN A 97 -6.604 -31.655 -40.379 1.00 12.32 C ATOM 1544 OD1 ASN A 97 -5.711 -30.892 -40.009 1.00 62.44 O ATOM 1545 ND2 ASN A 97 -6.452 -32.501 -41.390 1.00 60.13 N ATOM 0 H ASN A 97 -7.164 -32.845 -37.659 1.00 60.21 H new ATOM 0 HA ASN A 97 -7.286 -30.101 -38.371 1.00 64.23 H new ATOM 0 HB2 ASN A 97 -8.290 -32.697 -39.569 1.00 23.44 H new ATOM 0 HB3 ASN A 97 -8.685 -31.159 -40.309 1.00 23.44 H new ATOM 0 HD21 ASN A 97 -5.567 -32.538 -41.896 1.00 60.13 H new ATOM 0 HD22 ASN A 97 -7.220 -33.115 -41.661 1.00 60.13 H new ATOM 1552 N PHE A 98 -9.459 -29.319 -37.496 1.00 74.40 N ATOM 1553 CA PHE A 98 -10.752 -28.798 -37.067 1.00 43.42 C ATOM 1554 C PHE A 98 -11.710 -28.678 -38.249 1.00 51.14 C ATOM 1555 O PHE A 98 -11.394 -28.048 -39.259 1.00 25.02 O ATOM 1556 CB PHE A 98 -10.579 -27.432 -36.398 1.00 4.22 C ATOM 1557 CG PHE A 98 -11.805 -26.961 -35.670 1.00 0.03 C ATOM 1558 CD1 PHE A 98 -12.165 -27.524 -34.456 1.00 75.53 C ATOM 1559 CD2 PHE A 98 -12.597 -25.955 -36.199 1.00 20.11 C ATOM 1560 CE1 PHE A 98 -13.294 -27.093 -33.784 1.00 43.22 C ATOM 1561 CE2 PHE A 98 -13.725 -25.519 -35.532 1.00 15.23 C ATOM 1562 CZ PHE A 98 -14.075 -26.089 -34.322 1.00 51.23 C ATOM 0 H PHE A 98 -8.699 -28.639 -37.466 1.00 74.40 H new ATOM 0 HA PHE A 98 -11.176 -29.498 -36.347 1.00 43.42 H new ATOM 0 HB2 PHE A 98 -9.747 -27.483 -35.696 1.00 4.22 H new ATOM 0 HB3 PHE A 98 -10.312 -26.696 -37.156 1.00 4.22 H new ATOM 0 HD1 PHE A 98 -11.557 -28.308 -34.030 1.00 75.53 H new ATOM 0 HD2 PHE A 98 -12.329 -25.506 -37.144 1.00 20.11 H new ATOM 0 HE1 PHE A 98 -13.565 -27.541 -32.839 1.00 43.22 H new ATOM 0 HE2 PHE A 98 -14.333 -24.733 -35.955 1.00 15.23 H new ATOM 0 HZ PHE A 98 -14.957 -25.750 -33.799 1.00 51.23 H new ATOM 1572 N THR A 99 -12.884 -29.289 -38.116 1.00 65.02 N ATOM 1573 CA THR A 99 -13.887 -29.254 -39.172 1.00 23.35 C ATOM 1574 C THR A 99 -14.307 -27.822 -39.484 1.00 63.11 C ATOM 1575 O THR A 99 -14.741 -27.084 -38.598 1.00 64.34 O ATOM 1576 CB THR A 99 -15.135 -30.071 -38.788 1.00 40.10 C ATOM 1577 OG1 THR A 99 -15.508 -29.790 -37.435 1.00 3.43 O ATOM 1578 CG2 THR A 99 -14.877 -31.561 -38.949 1.00 21.41 C ATOM 0 H THR A 99 -13.163 -29.814 -37.287 1.00 65.02 H new ATOM 0 HA THR A 99 -13.430 -29.697 -40.057 1.00 23.35 H new ATOM 0 HB THR A 99 -15.948 -29.785 -39.455 1.00 40.10 H new ATOM 0 HG1 THR A 99 -15.399 -28.832 -37.258 1.00 3.43 H new ATOM 0 HG21 THR A 99 -15.772 -32.117 -38.672 1.00 21.41 H new ATOM 0 HG22 THR A 99 -14.623 -31.776 -39.987 1.00 21.41 H new ATOM 0 HG23 THR A 99 -14.051 -31.859 -38.304 1.00 21.41 H new ATOM 1586 N LYS A 100 -14.177 -27.434 -40.749 1.00 34.25 N ATOM 1587 CA LYS A 100 -14.545 -26.091 -41.178 1.00 72.12 C ATOM 1588 C LYS A 100 -15.550 -26.143 -42.325 1.00 21.32 C ATOM 1589 O LYS A 100 -15.241 -25.808 -43.469 1.00 24.22 O ATOM 1590 CB LYS A 100 -13.301 -25.313 -41.613 1.00 13.45 C ATOM 1591 CG LYS A 100 -13.522 -23.814 -41.705 1.00 15.43 C ATOM 1592 CD LYS A 100 -12.225 -23.074 -41.987 1.00 64.34 C ATOM 1593 CE LYS A 100 -11.780 -23.263 -43.429 1.00 65.13 C ATOM 1594 NZ LYS A 100 -10.952 -24.489 -43.598 1.00 60.31 N ATOM 0 H LYS A 100 -13.819 -28.032 -41.494 1.00 34.25 H new ATOM 0 HA LYS A 100 -15.008 -25.581 -40.333 1.00 72.12 H new ATOM 0 HB2 LYS A 100 -12.494 -25.510 -40.907 1.00 13.45 H new ATOM 0 HB3 LYS A 100 -12.972 -25.683 -42.584 1.00 13.45 H new ATOM 0 HG2 LYS A 100 -14.243 -23.600 -42.494 1.00 15.43 H new ATOM 0 HG3 LYS A 100 -13.953 -23.451 -40.772 1.00 15.43 H new ATOM 0 HD2 LYS A 100 -12.359 -22.012 -41.782 1.00 64.34 H new ATOM 0 HD3 LYS A 100 -11.446 -23.433 -41.314 1.00 64.34 H new ATOM 0 HE2 LYS A 100 -12.656 -23.325 -44.074 1.00 65.13 H new ATOM 0 HE3 LYS A 100 -11.209 -22.392 -43.750 1.00 65.13 H new ATOM 0 HZ1 LYS A 100 -10.013 -24.226 -43.959 1.00 60.31 H new ATOM 0 HZ2 LYS A 100 -10.849 -24.968 -42.680 1.00 60.31 H new ATOM 0 HZ3 LYS A 100 -11.415 -25.130 -44.273 1.00 60.31 H new ATOM 1608 N PRO A 101 -16.783 -26.571 -42.013 1.00 63.33 N ATOM 1609 CA PRO A 101 -17.858 -26.675 -43.004 1.00 40.12 C ATOM 1610 C PRO A 101 -18.346 -25.309 -43.476 1.00 10.42 C ATOM 1611 O PRO A 101 -17.990 -24.280 -42.901 1.00 31.35 O ATOM 1612 CB PRO A 101 -18.969 -27.407 -42.246 1.00 43.34 C ATOM 1613 CG PRO A 101 -18.714 -27.099 -40.811 1.00 23.51 C ATOM 1614 CD PRO A 101 -17.221 -26.986 -40.670 1.00 44.12 C ATOM 0 HA PRO A 101 -17.530 -27.188 -43.908 1.00 40.12 H new ATOM 0 HB2 PRO A 101 -19.955 -27.060 -42.556 1.00 43.34 H new ATOM 0 HB3 PRO A 101 -18.935 -28.480 -42.433 1.00 43.34 H new ATOM 0 HG2 PRO A 101 -19.205 -26.171 -40.518 1.00 23.51 H new ATOM 0 HG3 PRO A 101 -19.108 -27.885 -40.167 1.00 23.51 H new ATOM 0 HD2 PRO A 101 -16.943 -26.253 -39.912 1.00 44.12 H new ATOM 0 HD3 PRO A 101 -16.772 -27.935 -40.376 1.00 44.12 H new ATOM 1622 N ARG A 102 -19.161 -25.307 -44.526 1.00 11.14 N ATOM 1623 CA ARG A 102 -19.696 -24.067 -45.075 1.00 2.04 C ATOM 1624 C ARG A 102 -21.216 -24.028 -44.948 1.00 11.45 C ATOM 1625 O ARG A 102 -21.917 -24.878 -45.496 1.00 14.31 O ATOM 1626 CB ARG A 102 -19.293 -23.918 -46.543 1.00 0.44 C ATOM 1627 CG ARG A 102 -19.494 -22.515 -47.090 1.00 41.44 C ATOM 1628 CD ARG A 102 -18.608 -22.256 -48.300 1.00 22.33 C ATOM 1629 NE ARG A 102 -18.737 -20.886 -48.789 1.00 22.42 N ATOM 1630 CZ ARG A 102 -17.994 -20.383 -49.769 1.00 23.33 C ATOM 1631 NH1 ARG A 102 -17.075 -21.134 -50.361 1.00 11.34 N ATOM 1632 NH2 ARG A 102 -18.169 -19.127 -50.159 1.00 35.32 N ATOM 0 H ARG A 102 -19.465 -26.150 -45.013 1.00 11.14 H new ATOM 0 HA ARG A 102 -19.279 -23.237 -44.505 1.00 2.04 H new ATOM 0 HB2 ARG A 102 -18.245 -24.195 -46.653 1.00 0.44 H new ATOM 0 HB3 ARG A 102 -19.873 -24.619 -47.143 1.00 0.44 H new ATOM 0 HG2 ARG A 102 -20.539 -22.378 -47.367 1.00 41.44 H new ATOM 0 HG3 ARG A 102 -19.272 -21.785 -46.312 1.00 41.44 H new ATOM 0 HD2 ARG A 102 -17.568 -22.451 -48.036 1.00 22.33 H new ATOM 0 HD3 ARG A 102 -18.870 -22.952 -49.097 1.00 22.33 H new ATOM 0 HE ARG A 102 -19.435 -20.283 -48.355 1.00 22.42 H new ATOM 0 HH11 ARG A 102 -16.937 -22.100 -50.064 1.00 11.34 H new ATOM 0 HH12 ARG A 102 -16.506 -20.745 -51.113 1.00 11.34 H new ATOM 0 HH21 ARG A 102 -18.875 -18.546 -49.706 1.00 35.32 H new ATOM 0 HH22 ARG A 102 -17.598 -18.742 -50.911 1.00 35.32 H new ATOM 1646 N ASP A 103 -21.718 -23.036 -44.221 1.00 11.45 N ATOM 1647 CA ASP A 103 -23.155 -22.884 -44.021 1.00 31.51 C ATOM 1648 C ASP A 103 -23.489 -21.482 -43.523 1.00 75.31 C ATOM 1649 O ASP A 103 -22.878 -20.986 -42.577 1.00 50.02 O ATOM 1650 CB ASP A 103 -23.665 -23.929 -43.027 1.00 53.02 C ATOM 1651 CG ASP A 103 -25.106 -24.321 -43.289 1.00 34.24 C ATOM 1652 OD1 ASP A 103 -25.385 -24.865 -44.378 1.00 41.40 O ATOM 1653 OD2 ASP A 103 -25.957 -24.084 -42.404 1.00 63.10 O ATOM 0 H ASP A 103 -21.151 -22.324 -43.760 1.00 11.45 H new ATOM 0 HA ASP A 103 -23.650 -23.035 -44.980 1.00 31.51 H new ATOM 0 HB2 ASP A 103 -23.034 -24.816 -43.081 1.00 53.02 H new ATOM 0 HB3 ASP A 103 -23.576 -23.537 -42.014 1.00 53.02 H new ATOM 1658 N MET A 104 -24.465 -20.848 -44.166 1.00 61.30 N ATOM 1659 CA MET A 104 -24.882 -19.504 -43.787 1.00 42.44 C ATOM 1660 C MET A 104 -23.736 -18.511 -43.959 1.00 43.15 C ATOM 1661 O MET A 104 -23.475 -17.688 -43.081 1.00 30.32 O ATOM 1662 CB MET A 104 -25.372 -19.487 -42.338 1.00 44.12 C ATOM 1663 CG MET A 104 -26.351 -20.604 -42.016 1.00 10.11 C ATOM 1664 SD MET A 104 -27.286 -20.293 -40.505 1.00 63.43 S ATOM 1665 CE MET A 104 -28.909 -19.945 -41.178 1.00 31.53 C ATOM 0 H MET A 104 -24.981 -21.244 -44.952 1.00 61.30 H new ATOM 0 HA MET A 104 -25.700 -19.207 -44.443 1.00 42.44 H new ATOM 0 HB2 MET A 104 -24.513 -19.564 -41.671 1.00 44.12 H new ATOM 0 HB3 MET A 104 -25.848 -18.528 -42.135 1.00 44.12 H new ATOM 0 HG2 MET A 104 -27.044 -20.726 -42.849 1.00 10.11 H new ATOM 0 HG3 MET A 104 -25.805 -21.542 -41.915 1.00 10.11 H new ATOM 0 HE1 MET A 104 -29.602 -19.732 -40.364 1.00 31.53 H new ATOM 0 HE2 MET A 104 -28.851 -19.081 -41.840 1.00 31.53 H new ATOM 0 HE3 MET A 104 -29.263 -20.810 -41.740 1.00 31.53 H new TER 1675 MET A 104