USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 LYS NZ :NH3+ -179:sc= 0.907 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= -2.26! C(o=-1.4!,f=-4.7!) USER MOD Set 2.1: A 90 GLN : amide:sc= 0.0509 X(o=-1.7,f=-1.3) USER MOD Set 2.2: A 94 HIS : no HE2:sc= -1.77 X(o=-1.7,f=-2.2) USER MOD Set 3.1: A 74 SER OG : rot -124:sc= 0.613 USER MOD Set 3.2: A 85 GLN :FLIP amide:sc= 0.554 F(o=-0.13!,f=1.2) USER MOD Set 4.1: A 44 ASN : amide:sc= -2.85! C(o=-2.3!,f=-3.7!) USER MOD Set 4.2: A 47 LYS NZ :NH3+ 160:sc= 0.553 (180deg=0.394) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -111:sc= 1.33 (180deg=-0.587) USER MOD Set 5.2: A 31 SER OG : rot 180:sc= 0.523 USER MOD Set 6.1: A 21 SER OG : rot 103:sc= 0.223 USER MOD Set 6.2: A 24 LYS NZ :NH3+ -106:sc= 0.131 (180deg=0) USER MOD Set 7.1: A 10 HIS : no HE2:sc= -0.507 K(o=-0.00056,f=-1.1) USER MOD Set 7.2: A 11 GLN : amide:sc= 0.506 K(o=-0.00056,f=-0.98) USER MOD Single : A 16 MET CE :methyl 164:sc= 0 (180deg=-0.506) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -1.56 (180deg=-2.08!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.657 K(o=0.66,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= -2.27! (180deg=-2.3!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -96:sc= 0.144 (180deg=-1.14) USER MOD Single : A 59 HIS : no HD1:sc= -11.9! C(o=-12!,f=-26!) USER MOD Single : A 64 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.24) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.852 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 1.02 (180deg=0.795) USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.811! (180deg=-0.935) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.85 F(o=-3.1!,f=-0.85) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.17) USER MOD Single : A 86 GLN : amide:sc=-0.00641 K(o=-0.0064,f=-0.53) USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= 0.0492 (180deg=-1.21!) USER MOD Single : A 107 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 22.691 -8.222 -14.018 1.00 1.70 N ATOM 2 CA HIS A 10 22.288 -9.528 -14.545 1.00 1.73 C ATOM 3 C HIS A 10 23.247 -10.622 -14.080 1.00 1.58 C ATOM 4 O HIS A 10 22.818 -11.692 -13.642 1.00 1.52 O ATOM 5 CB HIS A 10 22.204 -9.487 -16.079 1.00 2.04 C ATOM 6 CG HIS A 10 23.252 -10.300 -16.778 1.00 2.54 C ATOM 7 ND1 HIS A 10 23.043 -11.575 -17.255 1.00 3.19 N ATOM 8 CD2 HIS A 10 24.538 -9.992 -17.082 1.00 3.29 C ATOM 9 CE1 HIS A 10 24.183 -11.993 -17.820 1.00 4.01 C ATOM 10 NE2 HIS A 10 25.121 -11.069 -17.743 1.00 4.11 N ATOM 0 HA HIS A 10 21.298 -9.764 -14.155 1.00 1.73 H new ATOM 0 HB2 HIS A 10 21.221 -9.842 -16.387 1.00 2.04 H new ATOM 0 HB3 HIS A 10 22.286 -8.451 -16.408 1.00 2.04 H new ATOM 0 HD1 HIS A 10 22.175 -12.106 -17.190 1.00 3.19 H new ATOM 0 HD2 HIS A 10 25.031 -9.060 -16.848 1.00 3.29 H new ATOM 0 HE1 HIS A 10 24.317 -12.961 -18.279 1.00 4.01 H new ATOM 18 N GLN A 11 24.545 -10.350 -14.172 1.00 1.60 N ATOM 19 CA GLN A 11 25.552 -11.311 -13.749 1.00 1.56 C ATOM 20 C GLN A 11 25.392 -11.611 -12.265 1.00 1.29 C ATOM 21 O GLN A 11 25.543 -12.754 -11.835 1.00 1.26 O ATOM 22 CB GLN A 11 26.962 -10.782 -14.030 1.00 1.75 C ATOM 23 CG GLN A 11 27.634 -11.437 -15.231 1.00 2.28 C ATOM 24 CD GLN A 11 28.439 -10.454 -16.059 1.00 3.08 C ATOM 25 OE1 GLN A 11 29.581 -10.132 -15.730 1.00 3.64 O ATOM 26 NE2 GLN A 11 27.848 -9.975 -17.147 1.00 3.73 N ATOM 0 H GLN A 11 24.921 -9.474 -14.535 1.00 1.60 H new ATOM 0 HA GLN A 11 25.412 -12.230 -14.318 1.00 1.56 H new ATOM 0 HB2 GLN A 11 26.910 -9.706 -14.196 1.00 1.75 H new ATOM 0 HB3 GLN A 11 27.582 -10.939 -13.147 1.00 1.75 H new ATOM 0 HG2 GLN A 11 28.289 -12.236 -14.884 1.00 2.28 H new ATOM 0 HG3 GLN A 11 26.874 -11.899 -15.861 1.00 2.28 H new ATOM 0 HE21 GLN A 11 26.900 -10.268 -17.383 1.00 3.73 H new ATOM 0 HE22 GLN A 11 28.342 -9.314 -17.747 1.00 3.73 H new ATOM 35 N PHE A 12 25.074 -10.579 -11.486 1.00 1.14 N ATOM 36 CA PHE A 12 24.890 -10.745 -10.052 1.00 0.98 C ATOM 37 C PHE A 12 23.927 -11.889 -9.779 1.00 0.94 C ATOM 38 O PHE A 12 24.215 -12.770 -8.981 1.00 0.91 O ATOM 39 CB PHE A 12 24.362 -9.458 -9.410 1.00 0.98 C ATOM 40 CG PHE A 12 23.947 -9.648 -7.978 1.00 0.86 C ATOM 41 CD1 PHE A 12 24.883 -9.606 -6.957 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.616 -9.848 -7.652 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.501 -9.764 -5.640 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.228 -10.005 -6.336 1.00 0.82 C ATOM 45 CZ PHE A 12 23.189 -10.034 -5.334 1.00 0.76 C ATOM 0 H PHE A 12 24.940 -9.626 -11.824 1.00 1.14 H new ATOM 0 HA PHE A 12 25.860 -10.975 -9.611 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.133 -8.689 -9.461 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.511 -9.094 -9.985 1.00 0.98 H new ATOM 0 HD1 PHE A 12 25.925 -9.448 -7.195 1.00 0.83 H new ATOM 0 HD2 PHE A 12 21.873 -9.882 -8.435 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.233 -9.675 -4.851 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.182 -10.105 -6.087 1.00 0.82 H new ATOM 0 HZ PHE A 12 22.906 -10.268 -4.318 1.00 0.76 H new ATOM 55 N PHE A 13 22.784 -11.879 -10.458 1.00 1.03 N ATOM 56 CA PHE A 13 21.790 -12.931 -10.279 1.00 1.16 C ATOM 57 C PHE A 13 22.444 -14.308 -10.375 1.00 1.12 C ATOM 58 O PHE A 13 22.304 -15.137 -9.472 1.00 1.08 O ATOM 59 CB PHE A 13 20.672 -12.801 -11.321 1.00 1.42 C ATOM 60 CG PHE A 13 19.295 -12.880 -10.726 1.00 1.67 C ATOM 61 CD1 PHE A 13 18.793 -14.089 -10.270 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.507 -11.746 -10.611 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.531 -14.164 -9.710 1.00 2.70 C ATOM 64 CE2 PHE A 13 17.245 -11.816 -10.054 1.00 2.42 C ATOM 65 CZ PHE A 13 16.756 -13.026 -9.603 1.00 2.77 C ATOM 0 H PHE A 13 22.524 -11.159 -11.133 1.00 1.03 H new ATOM 0 HA PHE A 13 21.353 -12.822 -9.286 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.781 -11.851 -11.844 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.785 -13.589 -12.065 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.394 -14.982 -10.353 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.884 -10.796 -10.961 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.152 -15.112 -9.357 1.00 2.70 H new ATOM 0 HE2 PHE A 13 16.641 -10.925 -9.971 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.769 -13.082 -9.167 1.00 2.77 H new ATOM 75 N ARG A 14 23.170 -14.542 -11.467 1.00 1.21 N ATOM 76 CA ARG A 14 23.852 -15.820 -11.662 1.00 1.30 C ATOM 77 C ARG A 14 24.836 -16.077 -10.526 1.00 1.14 C ATOM 78 O ARG A 14 24.864 -17.165 -9.954 1.00 1.12 O ATOM 79 CB ARG A 14 24.576 -15.857 -13.013 1.00 1.55 C ATOM 80 CG ARG A 14 25.036 -17.251 -13.421 1.00 1.71 C ATOM 81 CD ARG A 14 23.887 -18.253 -13.414 1.00 2.48 C ATOM 82 NE ARG A 14 23.807 -18.994 -12.154 1.00 2.80 N ATOM 83 CZ ARG A 14 24.729 -19.861 -11.742 1.00 3.53 C ATOM 84 NH1 ARG A 14 25.800 -20.100 -12.486 1.00 3.79 N ATOM 85 NH2 ARG A 14 24.581 -20.489 -10.582 1.00 4.35 N ATOM 0 H ARG A 14 23.300 -13.870 -12.224 1.00 1.21 H new ATOM 0 HA ARG A 14 23.099 -16.608 -11.659 1.00 1.30 H new ATOM 0 HB2 ARG A 14 23.912 -15.463 -13.782 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.442 -15.196 -12.970 1.00 1.55 H new ATOM 0 HG2 ARG A 14 25.477 -17.211 -14.417 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.817 -17.589 -12.740 1.00 1.71 H new ATOM 0 HD2 ARG A 14 22.948 -17.727 -13.585 1.00 2.48 H new ATOM 0 HD3 ARG A 14 24.014 -18.954 -14.239 1.00 2.48 H new ATOM 0 HE ARG A 14 22.996 -18.836 -11.556 1.00 2.80 H new ATOM 0 HH11 ARG A 14 25.919 -19.619 -13.377 1.00 3.79 H new ATOM 0 HH12 ARG A 14 26.504 -20.765 -12.167 1.00 3.79 H new ATOM 0 HH21 ARG A 14 23.760 -20.307 -10.005 1.00 4.35 H new ATOM 0 HH22 ARG A 14 25.288 -21.153 -10.268 1.00 4.35 H new ATOM 99 N ASP A 15 25.637 -15.066 -10.200 1.00 1.12 N ATOM 100 CA ASP A 15 26.616 -15.180 -9.122 1.00 1.14 C ATOM 101 C ASP A 15 25.927 -15.593 -7.822 1.00 1.00 C ATOM 102 O ASP A 15 26.390 -16.493 -7.124 1.00 1.05 O ATOM 103 CB ASP A 15 27.372 -13.850 -8.949 1.00 1.29 C ATOM 104 CG ASP A 15 28.057 -13.374 -10.218 1.00 1.49 C ATOM 105 OD1 ASP A 15 29.183 -13.836 -10.496 1.00 1.84 O ATOM 106 OD2 ASP A 15 27.467 -12.538 -10.932 1.00 2.10 O ATOM 0 H ASP A 15 25.628 -14.159 -10.666 1.00 1.12 H new ATOM 0 HA ASP A 15 27.340 -15.952 -9.381 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.672 -13.084 -8.614 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.119 -13.965 -8.163 1.00 1.29 H new ATOM 111 N MET A 16 24.805 -14.943 -7.513 1.00 0.93 N ATOM 112 CA MET A 16 24.046 -15.256 -6.308 1.00 0.98 C ATOM 113 C MET A 16 23.723 -16.743 -6.276 1.00 0.88 C ATOM 114 O MET A 16 24.043 -17.439 -5.313 1.00 0.88 O ATOM 115 CB MET A 16 22.753 -14.431 -6.253 1.00 1.15 C ATOM 116 CG MET A 16 22.571 -13.661 -4.953 1.00 1.45 C ATOM 117 SD MET A 16 21.228 -14.312 -3.942 1.00 1.92 S ATOM 118 CE MET A 16 22.022 -15.732 -3.187 1.00 2.23 C ATOM 0 H MET A 16 24.404 -14.197 -8.082 1.00 0.93 H new ATOM 0 HA MET A 16 24.650 -15.002 -5.437 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.746 -13.727 -7.085 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.902 -15.097 -6.392 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.499 -13.695 -4.382 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.374 -12.613 -5.180 1.00 1.45 H new ATOM 0 HE1 MET A 16 21.432 -16.068 -2.334 1.00 2.23 H new ATOM 0 HE2 MET A 16 22.097 -16.538 -3.917 1.00 2.23 H new ATOM 0 HE3 MET A 16 23.021 -15.454 -2.850 1.00 2.23 H new ATOM 128 N ASP A 17 23.104 -17.227 -7.352 1.00 0.91 N ATOM 129 CA ASP A 17 22.759 -18.638 -7.459 1.00 0.97 C ATOM 130 C ASP A 17 24.005 -19.489 -7.245 1.00 0.88 C ATOM 131 O ASP A 17 24.008 -20.398 -6.425 1.00 0.86 O ATOM 132 CB ASP A 17 22.143 -18.938 -8.831 1.00 1.19 C ATOM 133 CG ASP A 17 21.691 -20.384 -8.974 1.00 1.80 C ATOM 134 OD1 ASP A 17 22.485 -21.295 -8.649 1.00 2.44 O ATOM 135 OD2 ASP A 17 20.546 -20.603 -9.418 1.00 2.46 O ATOM 0 H ASP A 17 22.833 -16.663 -8.157 1.00 0.91 H new ATOM 0 HA ASP A 17 22.023 -18.880 -6.692 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.290 -18.278 -8.993 1.00 1.19 H new ATOM 0 HB3 ASP A 17 22.873 -18.712 -9.609 1.00 1.19 H new ATOM 140 N ASP A 18 25.063 -19.174 -7.986 1.00 0.95 N ATOM 141 CA ASP A 18 26.323 -19.900 -7.874 1.00 1.09 C ATOM 142 C ASP A 18 26.737 -20.026 -6.411 1.00 1.01 C ATOM 143 O ASP A 18 27.119 -21.104 -5.955 1.00 1.05 O ATOM 144 CB ASP A 18 27.419 -19.186 -8.680 1.00 1.33 C ATOM 145 CG ASP A 18 27.580 -19.740 -10.086 1.00 1.90 C ATOM 146 OD1 ASP A 18 27.364 -20.956 -10.280 1.00 2.49 O ATOM 147 OD2 ASP A 18 27.925 -18.956 -10.996 1.00 2.48 O ATOM 0 H ASP A 18 25.072 -18.419 -8.672 1.00 0.95 H new ATOM 0 HA ASP A 18 26.185 -20.902 -8.281 1.00 1.09 H new ATOM 0 HB2 ASP A 18 27.184 -18.123 -8.739 1.00 1.33 H new ATOM 0 HB3 ASP A 18 28.367 -19.274 -8.150 1.00 1.33 H new ATOM 152 N GLU A 19 26.638 -18.925 -5.673 1.00 1.02 N ATOM 153 CA GLU A 19 26.983 -18.931 -4.258 1.00 1.12 C ATOM 154 C GLU A 19 26.020 -19.839 -3.496 1.00 0.89 C ATOM 155 O GLU A 19 26.430 -20.831 -2.894 1.00 0.88 O ATOM 156 CB GLU A 19 26.955 -17.509 -3.691 1.00 1.38 C ATOM 157 CG GLU A 19 27.716 -17.370 -2.383 1.00 2.04 C ATOM 158 CD GLU A 19 29.217 -17.269 -2.576 1.00 2.53 C ATOM 159 OE1 GLU A 19 29.680 -16.245 -3.117 1.00 3.02 O ATOM 160 OE2 GLU A 19 29.931 -18.212 -2.170 1.00 3.07 O ATOM 0 H GLU A 19 26.323 -18.023 -6.030 1.00 1.02 H new ATOM 0 HA GLU A 19 27.995 -19.318 -4.141 1.00 1.12 H new ATOM 0 HB2 GLU A 19 27.379 -16.824 -4.425 1.00 1.38 H new ATOM 0 HB3 GLU A 19 25.919 -17.208 -3.535 1.00 1.38 H new ATOM 0 HG2 GLU A 19 27.363 -16.483 -1.857 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.494 -18.227 -1.748 1.00 2.04 H new ATOM 167 N GLU A 20 24.728 -19.513 -3.546 1.00 0.84 N ATOM 168 CA GLU A 20 23.716 -20.332 -2.883 1.00 0.84 C ATOM 169 C GLU A 20 23.941 -21.806 -3.220 1.00 0.73 C ATOM 170 O GLU A 20 23.700 -22.691 -2.399 1.00 0.78 O ATOM 171 CB GLU A 20 22.308 -19.901 -3.309 1.00 1.03 C ATOM 172 CG GLU A 20 21.195 -20.512 -2.465 1.00 1.61 C ATOM 173 CD GLU A 20 20.797 -19.640 -1.287 1.00 1.98 C ATOM 174 OE1 GLU A 20 21.698 -19.115 -0.603 1.00 2.50 O ATOM 175 OE2 GLU A 20 19.581 -19.487 -1.045 1.00 2.49 O ATOM 0 H GLU A 20 24.361 -18.696 -4.034 1.00 0.84 H new ATOM 0 HA GLU A 20 23.805 -20.193 -1.806 1.00 0.84 H new ATOM 0 HB2 GLU A 20 22.238 -18.815 -3.254 1.00 1.03 H new ATOM 0 HB3 GLU A 20 22.154 -20.177 -4.352 1.00 1.03 H new ATOM 0 HG2 GLU A 20 20.322 -20.684 -3.094 1.00 1.61 H new ATOM 0 HG3 GLU A 20 21.519 -21.485 -2.096 1.00 1.61 H new ATOM 182 N SER A 21 24.425 -22.058 -4.438 1.00 0.75 N ATOM 183 CA SER A 21 24.709 -23.412 -4.888 1.00 0.89 C ATOM 184 C SER A 21 25.845 -24.002 -4.063 1.00 0.84 C ATOM 185 O SER A 21 25.766 -25.150 -3.632 1.00 0.91 O ATOM 186 CB SER A 21 25.052 -23.416 -6.380 1.00 1.14 C ATOM 187 OG SER A 21 23.914 -23.746 -7.159 1.00 1.59 O ATOM 0 H SER A 21 24.627 -21.335 -5.129 1.00 0.75 H new ATOM 0 HA SER A 21 23.823 -24.031 -4.747 1.00 0.89 H new ATOM 0 HB2 SER A 21 25.427 -22.436 -6.674 1.00 1.14 H new ATOM 0 HB3 SER A 21 25.850 -24.133 -6.572 1.00 1.14 H new ATOM 0 HG SER A 21 23.551 -22.933 -7.569 1.00 1.59 H new ATOM 193 N TRP A 22 26.886 -23.202 -3.801 1.00 0.91 N ATOM 194 CA TRP A 22 28.005 -23.673 -2.983 1.00 1.05 C ATOM 195 C TRP A 22 27.456 -24.336 -1.726 1.00 0.87 C ATOM 196 O TRP A 22 27.869 -25.434 -1.356 1.00 0.92 O ATOM 197 CB TRP A 22 28.953 -22.531 -2.586 1.00 1.38 C ATOM 198 CG TRP A 22 29.876 -22.932 -1.477 1.00 1.53 C ATOM 199 CD1 TRP A 22 31.149 -23.400 -1.593 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.573 -22.944 -0.079 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.648 -23.696 -0.350 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.703 -23.426 0.588 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.457 -22.587 0.672 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.751 -23.571 1.966 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.503 -22.732 2.040 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.644 -23.222 2.674 1.00 2.11 C ATOM 0 H TRP A 22 26.975 -22.243 -4.137 1.00 0.91 H new ATOM 0 HA TRP A 22 28.579 -24.385 -3.576 1.00 1.05 H new ATOM 0 HB2 TRP A 22 29.538 -22.227 -3.454 1.00 1.38 H new ATOM 0 HB3 TRP A 22 28.368 -21.665 -2.276 1.00 1.38 H new ATOM 0 HD1 TRP A 22 31.685 -23.520 -2.523 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.581 -24.061 -0.160 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.570 -22.203 0.190 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.635 -23.947 2.459 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 27.641 -22.462 2.632 1.00 2.24 H new ATOM 0 HH2 TRP A 22 29.649 -23.326 3.749 1.00 2.11 H new ATOM 217 N ILE A 23 26.514 -23.656 -1.073 1.00 0.80 N ATOM 218 CA ILE A 23 25.887 -24.187 0.130 1.00 0.90 C ATOM 219 C ILE A 23 25.423 -25.610 -0.138 1.00 0.87 C ATOM 220 O ILE A 23 25.818 -26.547 0.547 1.00 0.95 O ATOM 221 CB ILE A 23 24.674 -23.332 0.580 1.00 1.16 C ATOM 222 CG1 ILE A 23 25.041 -21.842 0.647 1.00 1.34 C ATOM 223 CG2 ILE A 23 24.158 -23.812 1.932 1.00 1.46 C ATOM 224 CD1 ILE A 23 23.901 -20.956 1.109 1.00 1.92 C ATOM 0 H ILE A 23 26.171 -22.739 -1.358 1.00 0.80 H new ATOM 0 HA ILE A 23 26.626 -24.164 0.931 1.00 0.90 H new ATOM 0 HB ILE A 23 23.884 -23.452 -0.161 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.886 -21.715 1.324 1.00 1.34 H new ATOM 0 HG13 ILE A 23 25.369 -21.513 -0.339 1.00 1.34 H new ATOM 0 HG21 ILE A 23 23.307 -23.202 2.234 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.848 -24.854 1.854 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.950 -23.724 2.676 1.00 1.46 H new ATOM 0 HD11 ILE A 23 24.233 -19.918 1.132 1.00 1.92 H new ATOM 0 HD12 ILE A 23 23.062 -21.053 0.420 1.00 1.92 H new ATOM 0 HD13 ILE A 23 23.587 -21.259 2.108 1.00 1.92 H new ATOM 236 N LYS A 24 24.601 -25.753 -1.167 1.00 0.92 N ATOM 237 CA LYS A 24 24.080 -27.050 -1.578 1.00 1.18 C ATOM 238 C LYS A 24 25.200 -28.092 -1.673 1.00 1.21 C ATOM 239 O LYS A 24 25.065 -29.210 -1.177 1.00 1.38 O ATOM 240 CB LYS A 24 23.378 -26.906 -2.934 1.00 1.40 C ATOM 241 CG LYS A 24 21.881 -27.171 -2.892 1.00 2.00 C ATOM 242 CD LYS A 24 21.217 -26.832 -4.221 1.00 2.68 C ATOM 243 CE LYS A 24 21.153 -25.328 -4.456 1.00 3.24 C ATOM 244 NZ LYS A 24 21.224 -24.985 -5.905 1.00 3.58 N ATOM 0 H LYS A 24 24.276 -24.975 -1.741 1.00 0.92 H new ATOM 0 HA LYS A 24 23.368 -27.394 -0.828 1.00 1.18 H new ATOM 0 HB2 LYS A 24 23.547 -25.898 -3.313 1.00 1.40 H new ATOM 0 HB3 LYS A 24 23.838 -27.594 -3.643 1.00 1.40 H new ATOM 0 HG2 LYS A 24 21.702 -28.219 -2.652 1.00 2.00 H new ATOM 0 HG3 LYS A 24 21.428 -26.580 -2.096 1.00 2.00 H new ATOM 0 HD2 LYS A 24 21.770 -27.303 -5.034 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.209 -27.246 -4.239 1.00 2.68 H new ATOM 0 HE2 LYS A 24 20.228 -24.935 -4.035 1.00 3.24 H new ATOM 0 HE3 LYS A 24 21.974 -24.843 -3.928 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 22.162 -24.594 -6.124 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 21.065 -25.842 -6.473 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 20.494 -24.280 -6.131 1.00 3.58 H new ATOM 258 N GLU A 25 26.302 -27.710 -2.318 1.00 1.18 N ATOM 259 CA GLU A 25 27.448 -28.604 -2.488 1.00 1.40 C ATOM 260 C GLU A 25 28.001 -29.054 -1.142 1.00 1.37 C ATOM 261 O GLU A 25 28.188 -30.249 -0.904 1.00 1.59 O ATOM 262 CB GLU A 25 28.547 -27.911 -3.306 1.00 1.58 C ATOM 263 CG GLU A 25 29.926 -28.559 -3.184 1.00 2.34 C ATOM 264 CD GLU A 25 30.237 -29.551 -4.298 1.00 2.86 C ATOM 265 OE1 GLU A 25 29.293 -30.033 -4.960 1.00 3.26 O ATOM 266 OE2 GLU A 25 31.433 -29.853 -4.507 1.00 3.45 O ATOM 0 H GLU A 25 26.426 -26.786 -2.732 1.00 1.18 H new ATOM 0 HA GLU A 25 27.107 -29.488 -3.027 1.00 1.40 H new ATOM 0 HB2 GLU A 25 28.253 -27.905 -4.356 1.00 1.58 H new ATOM 0 HB3 GLU A 25 28.618 -26.871 -2.989 1.00 1.58 H new ATOM 0 HG2 GLU A 25 30.686 -27.778 -3.183 1.00 2.34 H new ATOM 0 HG3 GLU A 25 29.993 -29.071 -2.224 1.00 2.34 H new ATOM 273 N LYS A 26 28.270 -28.095 -0.265 1.00 1.19 N ATOM 274 CA LYS A 26 28.803 -28.409 1.049 1.00 1.29 C ATOM 275 C LYS A 26 27.795 -29.239 1.837 1.00 1.31 C ATOM 276 O LYS A 26 28.164 -30.211 2.495 1.00 1.49 O ATOM 277 CB LYS A 26 29.177 -27.123 1.793 1.00 1.34 C ATOM 278 CG LYS A 26 29.649 -27.350 3.222 1.00 1.63 C ATOM 279 CD LYS A 26 30.977 -28.097 3.264 1.00 2.01 C ATOM 280 CE LYS A 26 32.075 -27.339 2.526 1.00 2.27 C ATOM 281 NZ LYS A 26 32.183 -27.753 1.097 1.00 2.77 N ATOM 0 H LYS A 26 28.128 -27.100 -0.441 1.00 1.19 H new ATOM 0 HA LYS A 26 29.711 -29.001 0.936 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.963 -26.610 1.239 1.00 1.34 H new ATOM 0 HB3 LYS A 26 28.312 -26.459 1.808 1.00 1.34 H new ATOM 0 HG2 LYS A 26 29.755 -26.390 3.727 1.00 1.63 H new ATOM 0 HG3 LYS A 26 28.895 -27.916 3.769 1.00 1.63 H new ATOM 0 HD2 LYS A 26 31.275 -28.251 4.301 1.00 2.01 H new ATOM 0 HD3 LYS A 26 30.853 -29.084 2.818 1.00 2.01 H new ATOM 0 HE2 LYS A 26 31.874 -26.269 2.578 1.00 2.27 H new ATOM 0 HE3 LYS A 26 33.029 -27.508 3.025 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 32.721 -27.037 0.568 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 32.673 -28.668 1.037 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 31.231 -27.843 0.689 1.00 2.77 H new ATOM 295 N LYS A 27 26.518 -28.874 1.740 1.00 1.25 N ATOM 296 CA LYS A 27 25.461 -29.607 2.423 1.00 1.48 C ATOM 297 C LYS A 27 25.548 -31.093 2.085 1.00 1.65 C ATOM 298 O LYS A 27 25.473 -31.947 2.968 1.00 1.84 O ATOM 299 CB LYS A 27 24.089 -29.053 2.027 1.00 1.61 C ATOM 300 CG LYS A 27 22.964 -29.465 2.968 1.00 2.10 C ATOM 301 CD LYS A 27 22.195 -30.668 2.436 1.00 2.50 C ATOM 302 CE LYS A 27 21.841 -31.648 3.544 1.00 3.05 C ATOM 303 NZ LYS A 27 23.054 -32.221 4.192 1.00 3.62 N ATOM 0 H LYS A 27 26.193 -28.075 1.195 1.00 1.25 H new ATOM 0 HA LYS A 27 25.589 -29.484 3.498 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.143 -27.965 1.995 1.00 1.61 H new ATOM 0 HB3 LYS A 27 23.849 -29.390 1.019 1.00 1.61 H new ATOM 0 HG2 LYS A 27 23.378 -29.702 3.948 1.00 2.10 H new ATOM 0 HG3 LYS A 27 22.280 -28.628 3.105 1.00 2.10 H new ATOM 0 HD2 LYS A 27 21.282 -30.328 1.946 1.00 2.50 H new ATOM 0 HD3 LYS A 27 22.793 -31.176 1.679 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.234 -31.142 4.295 1.00 3.05 H new ATOM 0 HE3 LYS A 27 21.234 -32.455 3.134 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 23.133 -33.230 3.951 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 23.899 -31.717 3.854 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 22.978 -32.117 5.224 1.00 3.62 H new ATOM 317 N LEU A 28 25.719 -31.397 0.797 1.00 1.65 N ATOM 318 CA LEU A 28 25.830 -32.781 0.350 1.00 1.92 C ATOM 319 C LEU A 28 26.970 -33.485 1.082 1.00 1.96 C ATOM 320 O LEU A 28 26.816 -34.610 1.557 1.00 2.16 O ATOM 321 CB LEU A 28 26.061 -32.840 -1.165 1.00 2.05 C ATOM 322 CG LEU A 28 25.718 -34.180 -1.832 1.00 2.51 C ATOM 323 CD1 LEU A 28 26.750 -35.241 -1.473 1.00 2.78 C ATOM 324 CD2 LEU A 28 24.316 -34.635 -1.444 1.00 3.19 C ATOM 0 H LEU A 28 25.783 -30.705 0.050 1.00 1.65 H new ATOM 0 HA LEU A 28 24.895 -33.292 0.580 1.00 1.92 H new ATOM 0 HB2 LEU A 28 25.468 -32.056 -1.637 1.00 2.05 H new ATOM 0 HB3 LEU A 28 27.108 -32.611 -1.365 1.00 2.05 H new ATOM 0 HG LEU A 28 25.740 -34.037 -2.912 1.00 2.51 H new ATOM 0 HD11 LEU A 28 26.487 -36.182 -1.956 1.00 2.78 H new ATOM 0 HD12 LEU A 28 27.735 -34.921 -1.813 1.00 2.78 H new ATOM 0 HD13 LEU A 28 26.767 -35.381 -0.392 1.00 2.78 H new ATOM 0 HD21 LEU A 28 24.095 -35.586 -1.928 1.00 3.19 H new ATOM 0 HD22 LEU A 28 24.259 -34.757 -0.362 1.00 3.19 H new ATOM 0 HD23 LEU A 28 23.590 -33.888 -1.764 1.00 3.19 H new ATOM 336 N LEU A 29 28.114 -32.809 1.171 1.00 1.84 N ATOM 337 CA LEU A 29 29.281 -33.363 1.851 1.00 2.00 C ATOM 338 C LEU A 29 28.945 -33.697 3.301 1.00 2.03 C ATOM 339 O LEU A 29 29.288 -34.771 3.800 1.00 2.24 O ATOM 340 CB LEU A 29 30.449 -32.376 1.792 1.00 2.00 C ATOM 341 CG LEU A 29 31.814 -32.999 1.472 1.00 2.43 C ATOM 342 CD1 LEU A 29 32.806 -31.923 1.048 1.00 3.02 C ATOM 343 CD2 LEU A 29 32.344 -33.781 2.667 1.00 3.08 C ATOM 0 H LEU A 29 28.257 -31.877 0.781 1.00 1.84 H new ATOM 0 HA LEU A 29 29.573 -34.282 1.342 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.227 -31.620 1.039 1.00 2.00 H new ATOM 0 HB3 LEU A 29 30.518 -31.861 2.750 1.00 2.00 H new ATOM 0 HG LEU A 29 31.687 -33.694 0.642 1.00 2.43 H new ATOM 0 HD11 LEU A 29 33.769 -32.383 0.825 1.00 3.02 H new ATOM 0 HD12 LEU A 29 32.433 -31.414 0.160 1.00 3.02 H new ATOM 0 HD13 LEU A 29 32.927 -31.201 1.856 1.00 3.02 H new ATOM 0 HD21 LEU A 29 33.313 -34.214 2.418 1.00 3.08 H new ATOM 0 HD22 LEU A 29 32.455 -33.111 3.520 1.00 3.08 H new ATOM 0 HD23 LEU A 29 31.645 -34.578 2.920 1.00 3.08 H new ATOM 355 N VAL A 30 28.257 -32.774 3.966 1.00 1.90 N ATOM 356 CA VAL A 30 27.856 -32.971 5.354 1.00 2.05 C ATOM 357 C VAL A 30 27.083 -34.277 5.495 1.00 2.27 C ATOM 358 O VAL A 30 27.297 -35.039 6.437 1.00 2.48 O ATOM 359 CB VAL A 30 26.985 -31.804 5.870 1.00 2.03 C ATOM 360 CG1 VAL A 30 26.700 -31.960 7.358 1.00 2.35 C ATOM 361 CG2 VAL A 30 27.655 -30.464 5.591 1.00 2.26 C ATOM 0 H VAL A 30 27.966 -31.882 3.566 1.00 1.90 H new ATOM 0 HA VAL A 30 28.765 -33.009 5.954 1.00 2.05 H new ATOM 0 HB VAL A 30 26.036 -31.829 5.335 1.00 2.03 H new ATOM 0 HG11 VAL A 30 26.085 -31.127 7.700 1.00 2.35 H new ATOM 0 HG12 VAL A 30 26.170 -32.897 7.531 1.00 2.35 H new ATOM 0 HG13 VAL A 30 27.640 -31.968 7.910 1.00 2.35 H new ATOM 0 HG21 VAL A 30 27.024 -29.657 5.963 1.00 2.26 H new ATOM 0 HG22 VAL A 30 28.622 -30.429 6.093 1.00 2.26 H new ATOM 0 HG23 VAL A 30 27.799 -30.346 4.517 1.00 2.26 H new ATOM 371 N SER A 31 26.193 -34.528 4.536 1.00 2.30 N ATOM 372 CA SER A 31 25.392 -35.749 4.528 1.00 2.61 C ATOM 373 C SER A 31 26.296 -36.975 4.568 1.00 2.74 C ATOM 374 O SER A 31 25.999 -37.959 5.245 1.00 3.01 O ATOM 375 CB SER A 31 24.499 -35.795 3.285 1.00 2.70 C ATOM 376 OG SER A 31 24.220 -34.491 2.806 1.00 2.71 O ATOM 0 H SER A 31 26.009 -33.900 3.754 1.00 2.30 H new ATOM 0 HA SER A 31 24.757 -35.751 5.414 1.00 2.61 H new ATOM 0 HB2 SER A 31 24.989 -36.375 2.503 1.00 2.70 H new ATOM 0 HB3 SER A 31 23.566 -36.305 3.523 1.00 2.70 H new ATOM 0 HG SER A 31 23.650 -34.550 2.011 1.00 2.71 H new ATOM 382 N SER A 32 27.408 -36.896 3.842 1.00 2.63 N ATOM 383 CA SER A 32 28.376 -37.986 3.797 1.00 2.85 C ATOM 384 C SER A 32 29.025 -38.165 5.163 1.00 2.93 C ATOM 385 O SER A 32 28.956 -39.244 5.749 1.00 3.19 O ATOM 386 CB SER A 32 29.445 -37.704 2.737 1.00 2.84 C ATOM 387 OG SER A 32 29.819 -38.891 2.061 1.00 3.16 O ATOM 0 H SER A 32 27.661 -36.086 3.276 1.00 2.63 H new ATOM 0 HA SER A 32 27.856 -38.906 3.531 1.00 2.85 H new ATOM 0 HB2 SER A 32 29.066 -36.977 2.019 1.00 2.84 H new ATOM 0 HB3 SER A 32 30.321 -37.259 3.209 1.00 2.84 H new ATOM 0 HG SER A 32 30.501 -38.683 1.389 1.00 3.16 H new ATOM 393 N GLU A 33 29.637 -37.078 5.643 1.00 2.79 N ATOM 394 CA GLU A 33 30.322 -37.019 6.942 1.00 2.95 C ATOM 395 C GLU A 33 31.657 -36.300 6.799 1.00 3.13 C ATOM 396 O GLU A 33 31.970 -35.395 7.571 1.00 3.53 O ATOM 397 CB GLU A 33 30.556 -38.404 7.561 1.00 3.57 C ATOM 398 CG GLU A 33 29.388 -38.901 8.404 1.00 3.89 C ATOM 399 CD GLU A 33 29.324 -38.230 9.764 1.00 3.97 C ATOM 400 OE1 GLU A 33 30.087 -38.637 10.664 1.00 4.37 O ATOM 401 OE2 GLU A 33 28.512 -37.293 9.928 1.00 4.15 O ATOM 0 H GLU A 33 29.672 -36.196 5.131 1.00 2.79 H new ATOM 0 HA GLU A 33 29.663 -36.469 7.614 1.00 2.95 H new ATOM 0 HB2 GLU A 33 30.749 -39.121 6.763 1.00 3.57 H new ATOM 0 HB3 GLU A 33 31.452 -38.369 8.181 1.00 3.57 H new ATOM 0 HG2 GLU A 33 28.456 -38.720 7.869 1.00 3.89 H new ATOM 0 HG3 GLU A 33 29.474 -39.979 8.538 1.00 3.89 H new ATOM 408 N ASP A 34 32.441 -36.712 5.806 1.00 3.39 N ATOM 409 CA ASP A 34 33.748 -36.106 5.559 1.00 4.20 C ATOM 410 C ASP A 34 34.288 -36.505 4.192 1.00 4.34 C ATOM 411 O ASP A 34 33.915 -37.544 3.644 1.00 4.57 O ATOM 412 CB ASP A 34 34.747 -36.520 6.644 1.00 4.70 C ATOM 413 CG ASP A 34 34.181 -37.574 7.581 1.00 4.63 C ATOM 414 OD1 ASP A 34 33.695 -38.611 7.083 1.00 4.85 O ATOM 415 OD2 ASP A 34 34.219 -37.358 8.810 1.00 4.83 O ATOM 0 H ASP A 34 32.195 -37.462 5.160 1.00 3.39 H new ATOM 0 HA ASP A 34 33.619 -35.024 5.582 1.00 4.20 H new ATOM 0 HB2 ASP A 34 35.652 -36.904 6.173 1.00 4.70 H new ATOM 0 HB3 ASP A 34 35.036 -35.642 7.222 1.00 4.70 H new ATOM 420 N TYR A 35 35.183 -35.677 3.654 1.00 4.62 N ATOM 421 CA TYR A 35 35.791 -35.940 2.355 1.00 5.01 C ATOM 422 C TYR A 35 36.463 -37.310 2.347 1.00 4.75 C ATOM 423 O TYR A 35 37.476 -37.519 3.017 1.00 5.05 O ATOM 424 CB TYR A 35 36.813 -34.852 2.016 1.00 5.66 C ATOM 425 CG TYR A 35 36.827 -34.481 0.549 1.00 6.44 C ATOM 426 CD1 TYR A 35 35.981 -33.499 0.051 1.00 6.97 C ATOM 427 CD2 TYR A 35 37.697 -35.108 -0.334 1.00 6.95 C ATOM 428 CE1 TYR A 35 35.999 -33.154 -1.287 1.00 7.94 C ATOM 429 CE2 TYR A 35 37.723 -34.767 -1.674 1.00 7.93 C ATOM 430 CZ TYR A 35 36.836 -33.809 -2.149 1.00 8.40 C ATOM 431 OH TYR A 35 36.892 -33.448 -3.478 1.00 9.52 O ATOM 0 H TYR A 35 35.502 -34.817 4.101 1.00 4.62 H new ATOM 0 HA TYR A 35 35.005 -35.932 1.600 1.00 5.01 H new ATOM 0 HB2 TYR A 35 36.596 -33.962 2.607 1.00 5.66 H new ATOM 0 HB3 TYR A 35 37.807 -35.193 2.307 1.00 5.66 H new ATOM 0 HD1 TYR A 35 35.298 -32.997 0.720 1.00 6.97 H new ATOM 0 HD2 TYR A 35 38.364 -35.874 0.032 1.00 6.95 H new ATOM 0 HE1 TYR A 35 35.354 -32.369 -1.652 1.00 7.94 H new ATOM 0 HE2 TYR A 35 38.425 -35.240 -2.344 1.00 7.93 H new ATOM 0 HH TYR A 35 37.540 -34.017 -3.944 1.00 9.52 H new ATOM 441 N GLY A 36 35.890 -38.244 1.591 1.00 4.65 N ATOM 442 CA GLY A 36 36.447 -39.583 1.521 1.00 4.85 C ATOM 443 C GLY A 36 36.610 -40.210 2.894 1.00 4.72 C ATOM 444 O GLY A 36 37.703 -40.642 3.260 1.00 4.78 O ATOM 0 H GLY A 36 35.052 -38.097 1.028 1.00 4.65 H new ATOM 0 HA2 GLY A 36 35.799 -40.212 0.911 1.00 4.85 H new ATOM 0 HA3 GLY A 36 37.416 -39.546 1.023 1.00 4.85 H new ATOM 448 N ARG A 37 35.519 -40.249 3.655 1.00 4.88 N ATOM 449 CA ARG A 37 35.536 -40.821 4.998 1.00 4.91 C ATOM 450 C ARG A 37 35.983 -42.276 4.968 1.00 4.57 C ATOM 451 O ARG A 37 35.507 -43.068 4.152 1.00 4.62 O ATOM 452 CB ARG A 37 34.150 -40.720 5.643 1.00 5.47 C ATOM 453 CG ARG A 37 34.036 -41.458 6.973 1.00 5.76 C ATOM 454 CD ARG A 37 33.484 -42.869 6.792 1.00 5.57 C ATOM 455 NE ARG A 37 32.111 -42.860 6.293 1.00 6.10 N ATOM 456 CZ ARG A 37 31.062 -42.479 7.015 1.00 6.73 C ATOM 457 NH1 ARG A 37 31.222 -42.098 8.275 1.00 7.28 N ATOM 458 NH2 ARG A 37 29.850 -42.481 6.479 1.00 7.03 N ATOM 0 H ARG A 37 34.610 -39.890 3.363 1.00 4.88 H new ATOM 0 HA ARG A 37 36.250 -40.250 5.592 1.00 4.91 H new ATOM 0 HB2 ARG A 37 33.908 -39.669 5.799 1.00 5.47 H new ATOM 0 HB3 ARG A 37 33.408 -41.119 4.952 1.00 5.47 H new ATOM 0 HG2 ARG A 37 35.017 -41.509 7.446 1.00 5.76 H new ATOM 0 HG3 ARG A 37 33.387 -40.897 7.646 1.00 5.76 H new ATOM 0 HD2 ARG A 37 34.118 -43.420 6.098 1.00 5.57 H new ATOM 0 HD3 ARG A 37 33.520 -43.397 7.745 1.00 5.57 H new ATOM 0 HE ARG A 37 31.948 -43.164 5.333 1.00 6.10 H new ATOM 0 HH11 ARG A 37 32.152 -42.097 8.693 1.00 7.28 H new ATOM 0 HH12 ARG A 37 30.415 -41.806 8.826 1.00 7.28 H new ATOM 0 HH21 ARG A 37 29.721 -42.775 5.511 1.00 7.03 H new ATOM 0 HH22 ARG A 37 29.046 -42.188 7.035 1.00 7.03 H new ATOM 472 N ASP A 38 36.891 -42.616 5.874 1.00 4.69 N ATOM 473 CA ASP A 38 37.413 -43.975 5.984 1.00 4.86 C ATOM 474 C ASP A 38 37.018 -44.579 7.329 1.00 4.66 C ATOM 475 O ASP A 38 37.249 -45.762 7.577 1.00 4.86 O ATOM 476 CB ASP A 38 38.935 -43.970 5.832 1.00 5.43 C ATOM 477 CG ASP A 38 39.442 -45.172 5.057 1.00 5.48 C ATOM 478 OD1 ASP A 38 39.358 -46.304 5.587 1.00 5.43 O ATOM 479 OD2 ASP A 38 39.920 -44.983 3.922 1.00 5.96 O ATOM 0 H ASP A 38 37.286 -41.963 6.551 1.00 4.69 H new ATOM 0 HA ASP A 38 36.985 -44.583 5.187 1.00 4.86 H new ATOM 0 HB2 ASP A 38 39.244 -43.057 5.324 1.00 5.43 H new ATOM 0 HB3 ASP A 38 39.396 -43.957 6.820 1.00 5.43 H new ATOM 484 N LEU A 39 36.420 -43.742 8.183 1.00 4.60 N ATOM 485 CA LEU A 39 35.970 -44.141 9.516 1.00 4.67 C ATOM 486 C LEU A 39 37.077 -43.968 10.550 1.00 4.33 C ATOM 487 O LEU A 39 37.267 -44.814 11.426 1.00 4.41 O ATOM 488 CB LEU A 39 35.438 -45.580 9.525 1.00 4.84 C ATOM 489 CG LEU A 39 34.509 -45.914 10.701 1.00 5.16 C ATOM 490 CD1 LEU A 39 33.194 -46.492 10.196 1.00 5.47 C ATOM 491 CD2 LEU A 39 35.182 -46.877 11.671 1.00 5.40 C ATOM 0 H LEU A 39 36.234 -42.763 7.965 1.00 4.60 H new ATOM 0 HA LEU A 39 35.147 -43.480 9.788 1.00 4.67 H new ATOM 0 HB2 LEU A 39 34.901 -45.760 8.593 1.00 4.84 H new ATOM 0 HB3 LEU A 39 36.285 -46.266 9.543 1.00 4.84 H new ATOM 0 HG LEU A 39 34.296 -44.989 11.238 1.00 5.16 H new ATOM 0 HD11 LEU A 39 32.549 -46.723 11.044 1.00 5.47 H new ATOM 0 HD12 LEU A 39 32.701 -45.765 9.551 1.00 5.47 H new ATOM 0 HD13 LEU A 39 33.390 -47.403 9.631 1.00 5.47 H new ATOM 0 HD21 LEU A 39 34.503 -47.097 12.495 1.00 5.40 H new ATOM 0 HD22 LEU A 39 35.433 -47.801 11.151 1.00 5.40 H new ATOM 0 HD23 LEU A 39 36.092 -46.422 12.063 1.00 5.40 H new ATOM 503 N THR A 40 37.790 -42.849 10.455 1.00 4.12 N ATOM 504 CA THR A 40 38.863 -42.530 11.399 1.00 3.95 C ATOM 505 C THR A 40 38.717 -41.083 11.863 1.00 3.81 C ATOM 506 O THR A 40 38.843 -40.151 11.072 1.00 3.56 O ATOM 507 CB THR A 40 40.243 -42.768 10.770 1.00 3.89 C ATOM 508 OG1 THR A 40 41.210 -43.020 11.774 1.00 4.22 O ATOM 509 CG2 THR A 40 40.747 -41.608 9.937 1.00 3.59 C ATOM 0 H THR A 40 37.645 -42.144 9.732 1.00 4.12 H new ATOM 0 HA THR A 40 38.782 -43.191 12.262 1.00 3.95 H new ATOM 0 HB THR A 40 40.108 -43.627 10.113 1.00 3.89 H new ATOM 0 HG1 THR A 40 42.084 -43.171 11.356 1.00 4.22 H new ATOM 0 HG21 THR A 40 41.727 -41.853 9.527 1.00 3.59 H new ATOM 0 HG22 THR A 40 40.050 -41.416 9.121 1.00 3.59 H new ATOM 0 HG23 THR A 40 40.827 -40.719 10.562 1.00 3.59 H new ATOM 517 N GLY A 41 38.408 -40.906 13.142 1.00 4.04 N ATOM 518 CA GLY A 41 38.208 -39.573 13.687 1.00 4.02 C ATOM 519 C GLY A 41 39.351 -38.610 13.414 1.00 3.78 C ATOM 520 O GLY A 41 39.150 -37.569 12.793 1.00 3.57 O ATOM 0 H GLY A 41 38.292 -41.664 13.815 1.00 4.04 H new ATOM 0 HA2 GLY A 41 37.290 -39.157 13.272 1.00 4.02 H new ATOM 0 HA3 GLY A 41 38.063 -39.651 14.765 1.00 4.02 H new ATOM 524 N VAL A 42 40.541 -38.938 13.902 1.00 3.86 N ATOM 525 CA VAL A 42 41.710 -38.069 13.743 1.00 3.76 C ATOM 526 C VAL A 42 41.998 -37.686 12.289 1.00 3.39 C ATOM 527 O VAL A 42 41.998 -36.503 11.947 1.00 3.25 O ATOM 528 CB VAL A 42 42.973 -38.710 14.359 1.00 3.99 C ATOM 529 CG1 VAL A 42 42.882 -38.703 15.879 1.00 4.39 C ATOM 530 CG2 VAL A 42 43.180 -40.127 13.837 1.00 4.39 C ATOM 0 H VAL A 42 40.726 -39.801 14.413 1.00 3.86 H new ATOM 0 HA VAL A 42 41.459 -37.153 14.278 1.00 3.76 H new ATOM 0 HB VAL A 42 43.837 -38.116 14.060 1.00 3.99 H new ATOM 0 HG11 VAL A 42 43.779 -39.158 16.299 1.00 4.39 H new ATOM 0 HG12 VAL A 42 42.796 -37.676 16.234 1.00 4.39 H new ATOM 0 HG13 VAL A 42 42.006 -39.270 16.194 1.00 4.39 H new ATOM 0 HG21 VAL A 42 44.076 -40.553 14.288 1.00 4.39 H new ATOM 0 HG22 VAL A 42 42.317 -40.740 14.096 1.00 4.39 H new ATOM 0 HG23 VAL A 42 43.295 -40.102 12.753 1.00 4.39 H new ATOM 540 N GLN A 43 42.266 -38.670 11.438 1.00 3.28 N ATOM 541 CA GLN A 43 42.579 -38.389 10.040 1.00 3.01 C ATOM 542 C GLN A 43 41.442 -37.642 9.350 1.00 2.82 C ATOM 543 O GLN A 43 41.683 -36.686 8.612 1.00 2.61 O ATOM 544 CB GLN A 43 42.903 -39.679 9.281 1.00 3.07 C ATOM 545 CG GLN A 43 44.097 -39.554 8.346 1.00 3.47 C ATOM 546 CD GLN A 43 45.425 -39.675 9.070 1.00 3.77 C ATOM 547 OE1 GLN A 43 45.849 -38.758 9.772 1.00 4.06 O ATOM 548 NE2 GLN A 43 46.089 -40.813 8.902 1.00 4.24 N ATOM 0 H GLN A 43 42.273 -39.659 11.687 1.00 3.28 H new ATOM 0 HA GLN A 43 43.460 -37.747 10.029 1.00 3.01 H new ATOM 0 HB2 GLN A 43 43.098 -40.474 10.000 1.00 3.07 H new ATOM 0 HB3 GLN A 43 42.029 -39.979 8.702 1.00 3.07 H new ATOM 0 HG2 GLN A 43 44.035 -40.326 7.579 1.00 3.47 H new ATOM 0 HG3 GLN A 43 44.053 -38.592 7.835 1.00 3.47 H new ATOM 0 HE21 GLN A 43 45.700 -41.548 8.311 1.00 4.24 H new ATOM 0 HE22 GLN A 43 46.987 -40.952 9.364 1.00 4.24 H new ATOM 557 N ASN A 44 40.203 -38.066 9.592 1.00 2.97 N ATOM 558 CA ASN A 44 39.053 -37.408 8.976 1.00 2.93 C ATOM 559 C ASN A 44 38.921 -35.976 9.481 1.00 2.82 C ATOM 560 O ASN A 44 38.540 -35.083 8.730 1.00 2.66 O ATOM 561 CB ASN A 44 37.757 -38.185 9.234 1.00 3.26 C ATOM 562 CG ASN A 44 37.625 -39.404 8.337 1.00 3.37 C ATOM 563 OD1 ASN A 44 37.324 -40.504 8.799 1.00 3.42 O ATOM 564 ND2 ASN A 44 37.838 -39.210 7.042 1.00 3.83 N ATOM 0 H ASN A 44 39.971 -38.851 10.201 1.00 2.97 H new ATOM 0 HA ASN A 44 39.222 -37.387 7.899 1.00 2.93 H new ATOM 0 HB2 ASN A 44 37.727 -38.500 10.277 1.00 3.26 H new ATOM 0 HB3 ASN A 44 36.904 -37.526 9.075 1.00 3.26 H new ATOM 0 HD21 ASN A 44 37.754 -39.989 6.389 1.00 3.83 H new ATOM 0 HD22 ASN A 44 38.086 -38.282 6.699 1.00 3.83 H new ATOM 571 N LEU A 45 39.248 -35.758 10.756 1.00 3.00 N ATOM 572 CA LEU A 45 39.175 -34.424 11.334 1.00 3.01 C ATOM 573 C LEU A 45 40.162 -33.506 10.628 1.00 2.73 C ATOM 574 O LEU A 45 39.794 -32.439 10.142 1.00 2.57 O ATOM 575 CB LEU A 45 39.475 -34.466 12.836 1.00 3.36 C ATOM 576 CG LEU A 45 38.909 -33.294 13.647 1.00 3.84 C ATOM 577 CD1 LEU A 45 38.612 -33.727 15.077 1.00 4.23 C ATOM 578 CD2 LEU A 45 39.874 -32.116 13.632 1.00 4.27 C ATOM 0 H LEU A 45 39.563 -36.484 11.400 1.00 3.00 H new ATOM 0 HA LEU A 45 38.164 -34.039 11.199 1.00 3.01 H new ATOM 0 HB2 LEU A 45 39.077 -35.395 13.244 1.00 3.36 H new ATOM 0 HB3 LEU A 45 40.556 -34.494 12.974 1.00 3.36 H new ATOM 0 HG LEU A 45 37.975 -32.976 13.184 1.00 3.84 H new ATOM 0 HD11 LEU A 45 38.211 -32.882 15.637 1.00 4.23 H new ATOM 0 HD12 LEU A 45 37.881 -34.536 15.068 1.00 4.23 H new ATOM 0 HD13 LEU A 45 39.531 -34.073 15.551 1.00 4.23 H new ATOM 0 HD21 LEU A 45 39.454 -31.295 14.213 1.00 4.27 H new ATOM 0 HD22 LEU A 45 40.826 -32.420 14.068 1.00 4.27 H new ATOM 0 HD23 LEU A 45 40.034 -31.789 12.604 1.00 4.27 H new ATOM 590 N ARG A 46 41.420 -33.937 10.568 1.00 2.73 N ATOM 591 CA ARG A 46 42.470 -33.162 9.914 1.00 2.59 C ATOM 592 C ARG A 46 42.047 -32.770 8.500 1.00 2.28 C ATOM 593 O ARG A 46 42.297 -31.650 8.054 1.00 2.17 O ATOM 594 CB ARG A 46 43.770 -33.970 9.867 1.00 2.76 C ATOM 595 CG ARG A 46 45.024 -33.132 10.081 1.00 2.97 C ATOM 596 CD ARG A 46 45.853 -33.646 11.249 1.00 3.51 C ATOM 597 NE ARG A 46 46.085 -35.087 11.167 1.00 4.06 N ATOM 598 CZ ARG A 46 46.776 -35.777 12.069 1.00 4.80 C ATOM 599 NH1 ARG A 46 47.309 -35.161 13.116 1.00 5.15 N ATOM 600 NH2 ARG A 46 46.935 -37.086 11.924 1.00 5.49 N ATOM 0 H ARG A 46 41.737 -34.821 10.966 1.00 2.73 H new ATOM 0 HA ARG A 46 42.637 -32.252 10.491 1.00 2.59 H new ATOM 0 HB2 ARG A 46 43.730 -34.749 10.629 1.00 2.76 H new ATOM 0 HB3 ARG A 46 43.840 -34.472 8.902 1.00 2.76 H new ATOM 0 HG2 ARG A 46 45.628 -33.143 9.174 1.00 2.97 H new ATOM 0 HG3 ARG A 46 44.742 -32.095 10.264 1.00 2.97 H new ATOM 0 HD2 ARG A 46 46.811 -33.126 11.270 1.00 3.51 H new ATOM 0 HD3 ARG A 46 45.344 -33.414 12.184 1.00 3.51 H new ATOM 0 HE ARG A 46 45.694 -35.592 10.372 1.00 4.06 H new ATOM 0 HH11 ARG A 46 47.189 -34.155 13.231 1.00 5.15 H new ATOM 0 HH12 ARG A 46 47.839 -35.694 13.806 1.00 5.15 H new ATOM 0 HH21 ARG A 46 46.527 -37.563 11.120 1.00 5.49 H new ATOM 0 HH22 ARG A 46 47.465 -37.615 12.616 1.00 5.49 H new ATOM 614 N LYS A 47 41.405 -33.704 7.804 1.00 2.24 N ATOM 615 CA LYS A 47 40.941 -33.464 6.442 1.00 2.12 C ATOM 616 C LYS A 47 39.832 -32.420 6.429 1.00 2.02 C ATOM 617 O LYS A 47 39.837 -31.501 5.609 1.00 1.89 O ATOM 618 CB LYS A 47 40.436 -34.767 5.811 1.00 2.32 C ATOM 619 CG LYS A 47 41.542 -35.762 5.483 1.00 2.70 C ATOM 620 CD LYS A 47 41.038 -36.893 4.599 1.00 3.12 C ATOM 621 CE LYS A 47 40.158 -37.869 5.368 1.00 3.66 C ATOM 622 NZ LYS A 47 39.623 -38.945 4.488 1.00 4.30 N ATOM 0 H LYS A 47 41.194 -34.636 8.162 1.00 2.24 H new ATOM 0 HA LYS A 47 41.782 -33.090 5.858 1.00 2.12 H new ATOM 0 HB2 LYS A 47 39.727 -35.238 6.492 1.00 2.32 H new ATOM 0 HB3 LYS A 47 39.891 -34.530 4.897 1.00 2.32 H new ATOM 0 HG2 LYS A 47 42.360 -35.245 4.981 1.00 2.70 H new ATOM 0 HG3 LYS A 47 41.946 -36.175 6.407 1.00 2.70 H new ATOM 0 HD2 LYS A 47 40.474 -36.477 3.764 1.00 3.12 H new ATOM 0 HD3 LYS A 47 41.888 -37.428 4.175 1.00 3.12 H new ATOM 0 HE2 LYS A 47 40.733 -38.316 6.179 1.00 3.66 H new ATOM 0 HE3 LYS A 47 39.329 -37.328 5.825 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 39.326 -39.754 5.070 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 38.806 -38.584 3.955 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 40.363 -39.250 3.823 1.00 4.30 H new ATOM 636 N LYS A 48 38.883 -32.567 7.349 1.00 2.17 N ATOM 637 CA LYS A 48 37.766 -31.635 7.452 1.00 2.20 C ATOM 638 C LYS A 48 38.269 -30.245 7.811 1.00 2.02 C ATOM 639 O LYS A 48 37.745 -29.243 7.336 1.00 1.90 O ATOM 640 CB LYS A 48 36.764 -32.116 8.506 1.00 2.54 C ATOM 641 CG LYS A 48 35.343 -31.619 8.272 1.00 3.02 C ATOM 642 CD LYS A 48 34.458 -31.853 9.491 1.00 3.19 C ATOM 643 CE LYS A 48 33.539 -33.052 9.303 1.00 3.73 C ATOM 644 NZ LYS A 48 34.254 -34.221 8.721 1.00 4.17 N ATOM 0 H LYS A 48 38.866 -33.323 8.034 1.00 2.17 H new ATOM 0 HA LYS A 48 37.265 -31.590 6.485 1.00 2.20 H new ATOM 0 HB2 LYS A 48 36.760 -33.206 8.520 1.00 2.54 H new ATOM 0 HB3 LYS A 48 37.098 -31.785 9.489 1.00 2.54 H new ATOM 0 HG2 LYS A 48 35.363 -30.555 8.036 1.00 3.02 H new ATOM 0 HG3 LYS A 48 34.916 -32.129 7.409 1.00 3.02 H new ATOM 0 HD2 LYS A 48 35.084 -32.010 10.370 1.00 3.19 H new ATOM 0 HD3 LYS A 48 33.859 -30.963 9.681 1.00 3.19 H new ATOM 0 HE2 LYS A 48 33.109 -33.333 10.264 1.00 3.73 H new ATOM 0 HE3 LYS A 48 32.710 -32.774 8.652 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 33.583 -35.003 8.579 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 34.672 -33.953 7.807 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 35.008 -34.525 9.370 1.00 4.17 H new ATOM 658 N HIS A 49 39.294 -30.202 8.654 1.00 2.10 N ATOM 659 CA HIS A 49 39.884 -28.946 9.087 1.00 2.10 C ATOM 660 C HIS A 49 40.489 -28.201 7.902 1.00 1.82 C ATOM 661 O HIS A 49 40.173 -27.036 7.665 1.00 1.72 O ATOM 662 CB HIS A 49 40.958 -29.203 10.150 1.00 2.37 C ATOM 663 CG HIS A 49 40.985 -28.171 11.232 1.00 2.66 C ATOM 664 ND1 HIS A 49 41.469 -26.894 11.062 1.00 2.97 N ATOM 665 CD2 HIS A 49 40.561 -28.242 12.520 1.00 3.22 C ATOM 666 CE1 HIS A 49 41.329 -26.242 12.224 1.00 3.47 C ATOM 667 NE2 HIS A 49 40.781 -27.016 13.142 1.00 3.60 N ATOM 0 H HIS A 49 39.735 -31.031 9.053 1.00 2.10 H new ATOM 0 HA HIS A 49 39.098 -28.328 9.521 1.00 2.10 H new ATOM 0 HB2 HIS A 49 40.788 -30.182 10.597 1.00 2.37 H new ATOM 0 HB3 HIS A 49 41.935 -29.238 9.667 1.00 2.37 H new ATOM 0 HD2 HIS A 49 40.123 -29.111 12.988 1.00 3.22 H new ATOM 0 HE1 HIS A 49 41.626 -25.217 12.388 1.00 3.47 H new ATOM 0 HE2 HIS A 49 40.564 -26.767 14.107 1.00 3.60 H new ATOM 675 N LYS A 50 41.359 -28.883 7.158 1.00 1.76 N ATOM 676 CA LYS A 50 42.008 -28.281 5.998 1.00 1.67 C ATOM 677 C LYS A 50 40.976 -27.764 5.003 1.00 1.49 C ATOM 678 O LYS A 50 41.129 -26.678 4.443 1.00 1.46 O ATOM 679 CB LYS A 50 42.931 -29.293 5.315 1.00 1.79 C ATOM 680 CG LYS A 50 44.192 -29.609 6.109 1.00 2.13 C ATOM 681 CD LYS A 50 45.435 -29.014 5.457 1.00 2.64 C ATOM 682 CE LYS A 50 45.666 -27.572 5.891 1.00 3.07 C ATOM 683 NZ LYS A 50 44.839 -26.613 5.105 1.00 3.17 N ATOM 0 H LYS A 50 41.629 -29.850 7.338 1.00 1.76 H new ATOM 0 HA LYS A 50 42.604 -27.438 6.347 1.00 1.67 H new ATOM 0 HB2 LYS A 50 42.379 -30.217 5.145 1.00 1.79 H new ATOM 0 HB3 LYS A 50 43.216 -28.908 4.336 1.00 1.79 H new ATOM 0 HG2 LYS A 50 44.091 -29.219 7.122 1.00 2.13 H new ATOM 0 HG3 LYS A 50 44.307 -30.690 6.193 1.00 2.13 H new ATOM 0 HD2 LYS A 50 46.306 -29.616 5.717 1.00 2.64 H new ATOM 0 HD3 LYS A 50 45.332 -29.055 4.373 1.00 2.64 H new ATOM 0 HE2 LYS A 50 45.431 -27.470 6.950 1.00 3.07 H new ATOM 0 HE3 LYS A 50 46.721 -27.322 5.773 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 45.404 -26.230 4.320 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 44.006 -27.105 4.724 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 44.530 -25.835 5.722 1.00 3.17 H new ATOM 697 N ARG A 51 39.921 -28.547 4.788 1.00 1.50 N ATOM 698 CA ARG A 51 38.867 -28.157 3.862 1.00 1.50 C ATOM 699 C ARG A 51 38.140 -26.926 4.384 1.00 1.38 C ATOM 700 O ARG A 51 37.918 -25.968 3.649 1.00 1.27 O ATOM 701 CB ARG A 51 37.881 -29.315 3.660 1.00 1.77 C ATOM 702 CG ARG A 51 36.655 -28.953 2.826 1.00 2.17 C ATOM 703 CD ARG A 51 36.865 -29.253 1.347 1.00 2.52 C ATOM 704 NE ARG A 51 36.129 -28.321 0.492 1.00 2.87 N ATOM 705 CZ ARG A 51 35.024 -28.637 -0.184 1.00 3.47 C ATOM 706 NH1 ARG A 51 34.516 -29.859 -0.114 1.00 4.13 N ATOM 707 NH2 ARG A 51 34.421 -27.722 -0.929 1.00 3.79 N ATOM 0 H ARG A 51 39.776 -29.449 5.241 1.00 1.50 H new ATOM 0 HA ARG A 51 39.317 -27.914 2.900 1.00 1.50 H new ATOM 0 HB2 ARG A 51 38.403 -30.142 3.179 1.00 1.77 H new ATOM 0 HB3 ARG A 51 37.551 -29.671 4.636 1.00 1.77 H new ATOM 0 HG2 ARG A 51 35.791 -29.509 3.190 1.00 2.17 H new ATOM 0 HG3 ARG A 51 36.429 -27.894 2.953 1.00 2.17 H new ATOM 0 HD2 ARG A 51 37.928 -29.198 1.113 1.00 2.52 H new ATOM 0 HD3 ARG A 51 36.544 -30.273 1.134 1.00 2.52 H new ATOM 0 HE ARG A 51 36.484 -27.369 0.408 1.00 2.87 H new ATOM 0 HH11 ARG A 51 34.971 -30.568 0.461 1.00 4.13 H new ATOM 0 HH12 ARG A 51 33.670 -30.090 -0.635 1.00 4.13 H new ATOM 0 HH21 ARG A 51 34.802 -26.778 -0.985 1.00 3.79 H new ATOM 0 HH22 ARG A 51 33.576 -27.962 -1.447 1.00 3.79 H new ATOM 721 N LEU A 52 37.784 -26.958 5.665 1.00 1.51 N ATOM 722 CA LEU A 52 37.089 -25.842 6.295 1.00 1.55 C ATOM 723 C LEU A 52 37.902 -24.561 6.167 1.00 1.33 C ATOM 724 O LEU A 52 37.369 -23.513 5.812 1.00 1.22 O ATOM 725 CB LEU A 52 36.815 -26.144 7.773 1.00 1.88 C ATOM 726 CG LEU A 52 35.657 -27.113 8.034 1.00 2.21 C ATOM 727 CD1 LEU A 52 35.756 -27.701 9.436 1.00 2.90 C ATOM 728 CD2 LEU A 52 34.318 -26.412 7.837 1.00 2.58 C ATOM 0 H LEU A 52 37.966 -27.746 6.287 1.00 1.51 H new ATOM 0 HA LEU A 52 36.137 -25.703 5.783 1.00 1.55 H new ATOM 0 HB2 LEU A 52 37.721 -26.556 8.218 1.00 1.88 H new ATOM 0 HB3 LEU A 52 36.606 -25.206 8.287 1.00 1.88 H new ATOM 0 HG LEU A 52 35.724 -27.930 7.316 1.00 2.21 H new ATOM 0 HD11 LEU A 52 34.925 -28.387 9.603 1.00 2.90 H new ATOM 0 HD12 LEU A 52 36.698 -28.240 9.539 1.00 2.90 H new ATOM 0 HD13 LEU A 52 35.716 -26.897 10.171 1.00 2.90 H new ATOM 0 HD21 LEU A 52 33.508 -27.116 8.027 1.00 2.58 H new ATOM 0 HD22 LEU A 52 34.241 -25.574 8.530 1.00 2.58 H new ATOM 0 HD23 LEU A 52 34.247 -26.044 6.813 1.00 2.58 H new ATOM 740 N GLU A 53 39.196 -24.652 6.454 1.00 1.38 N ATOM 741 CA GLU A 53 40.079 -23.496 6.370 1.00 1.39 C ATOM 742 C GLU A 53 40.039 -22.879 4.977 1.00 1.16 C ATOM 743 O GLU A 53 39.826 -21.675 4.831 1.00 1.13 O ATOM 744 CB GLU A 53 41.513 -23.901 6.729 1.00 1.66 C ATOM 745 CG GLU A 53 42.451 -22.722 6.944 1.00 2.20 C ATOM 746 CD GLU A 53 43.863 -23.155 7.298 1.00 2.62 C ATOM 747 OE1 GLU A 53 44.343 -24.153 6.716 1.00 3.08 O ATOM 748 OE2 GLU A 53 44.487 -22.499 8.158 1.00 3.17 O ATOM 0 H GLU A 53 39.656 -25.514 6.747 1.00 1.38 H new ATOM 0 HA GLU A 53 39.731 -22.748 7.083 1.00 1.39 H new ATOM 0 HB2 GLU A 53 41.493 -24.507 7.635 1.00 1.66 H new ATOM 0 HB3 GLU A 53 41.912 -24.530 5.934 1.00 1.66 H new ATOM 0 HG2 GLU A 53 42.477 -22.114 6.040 1.00 2.20 H new ATOM 0 HG3 GLU A 53 42.058 -22.091 7.741 1.00 2.20 H new ATOM 755 N ALA A 54 40.233 -23.704 3.953 1.00 1.13 N ATOM 756 CA ALA A 54 40.200 -23.214 2.581 1.00 1.16 C ATOM 757 C ALA A 54 38.828 -22.635 2.265 1.00 0.99 C ATOM 758 O ALA A 54 38.708 -21.594 1.618 1.00 1.03 O ATOM 759 CB ALA A 54 40.550 -24.332 1.610 1.00 1.35 C ATOM 0 H ALA A 54 40.413 -24.704 4.046 1.00 1.13 H new ATOM 0 HA ALA A 54 40.942 -22.423 2.471 1.00 1.16 H new ATOM 0 HB1 ALA A 54 40.521 -23.950 0.590 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.550 -24.705 1.830 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.830 -25.143 1.714 1.00 1.35 H new ATOM 765 N GLU A 55 37.799 -23.320 2.746 1.00 0.99 N ATOM 766 CA GLU A 55 36.423 -22.898 2.540 1.00 1.06 C ATOM 767 C GLU A 55 36.181 -21.496 3.089 1.00 0.88 C ATOM 768 O GLU A 55 35.682 -20.632 2.380 1.00 0.90 O ATOM 769 CB GLU A 55 35.464 -23.883 3.214 1.00 1.35 C ATOM 770 CG GLU A 55 34.285 -24.283 2.341 1.00 1.84 C ATOM 771 CD GLU A 55 34.678 -25.178 1.179 1.00 1.93 C ATOM 772 OE1 GLU A 55 35.843 -25.628 1.132 1.00 2.60 O ATOM 773 OE2 GLU A 55 33.817 -25.429 0.314 1.00 2.20 O ATOM 0 H GLU A 55 37.895 -24.179 3.287 1.00 0.99 H new ATOM 0 HA GLU A 55 36.239 -22.882 1.466 1.00 1.06 H new ATOM 0 HB2 GLU A 55 36.017 -24.779 3.496 1.00 1.35 H new ATOM 0 HB3 GLU A 55 35.088 -23.438 4.135 1.00 1.35 H new ATOM 0 HG2 GLU A 55 33.545 -24.798 2.954 1.00 1.84 H new ATOM 0 HG3 GLU A 55 33.807 -23.384 1.953 1.00 1.84 H new ATOM 780 N LEU A 56 36.518 -21.285 4.360 1.00 0.90 N ATOM 781 CA LEU A 56 36.311 -19.990 5.002 1.00 0.98 C ATOM 782 C LEU A 56 37.110 -18.885 4.324 1.00 0.91 C ATOM 783 O LEU A 56 36.639 -17.753 4.203 1.00 0.99 O ATOM 784 CB LEU A 56 36.662 -20.075 6.496 1.00 1.26 C ATOM 785 CG LEU A 56 38.120 -19.761 6.865 1.00 2.02 C ATOM 786 CD1 LEU A 56 38.290 -18.280 7.183 1.00 2.67 C ATOM 787 CD2 LEU A 56 38.565 -20.612 8.047 1.00 2.55 C ATOM 0 H LEU A 56 36.935 -21.993 4.964 1.00 0.90 H new ATOM 0 HA LEU A 56 35.256 -19.735 4.899 1.00 0.98 H new ATOM 0 HB2 LEU A 56 36.014 -19.388 7.041 1.00 1.26 H new ATOM 0 HB3 LEU A 56 36.428 -21.080 6.847 1.00 1.26 H new ATOM 0 HG LEU A 56 38.748 -20.001 6.007 1.00 2.02 H new ATOM 0 HD11 LEU A 56 39.330 -18.080 7.442 1.00 2.67 H new ATOM 0 HD12 LEU A 56 38.012 -17.687 6.312 1.00 2.67 H new ATOM 0 HD13 LEU A 56 37.649 -18.012 8.023 1.00 2.67 H new ATOM 0 HD21 LEU A 56 39.600 -20.377 8.295 1.00 2.55 H new ATOM 0 HD22 LEU A 56 37.929 -20.402 8.907 1.00 2.55 H new ATOM 0 HD23 LEU A 56 38.485 -21.667 7.786 1.00 2.55 H new ATOM 799 N ALA A 57 38.321 -19.209 3.897 1.00 0.92 N ATOM 800 CA ALA A 57 39.183 -18.237 3.246 1.00 1.14 C ATOM 801 C ALA A 57 38.539 -17.658 1.990 1.00 1.08 C ATOM 802 O ALA A 57 38.543 -16.446 1.783 1.00 1.22 O ATOM 803 CB ALA A 57 40.517 -18.878 2.911 1.00 1.37 C ATOM 0 H ALA A 57 38.729 -20.139 3.990 1.00 0.92 H new ATOM 0 HA ALA A 57 39.341 -17.410 3.938 1.00 1.14 H new ATOM 0 HB1 ALA A 57 41.160 -18.146 2.423 1.00 1.37 H new ATOM 0 HB2 ALA A 57 40.994 -19.226 3.827 1.00 1.37 H new ATOM 0 HB3 ALA A 57 40.357 -19.723 2.242 1.00 1.37 H new ATOM 809 N ALA A 58 38.007 -18.532 1.145 1.00 1.03 N ATOM 810 CA ALA A 58 37.381 -18.110 -0.103 1.00 1.19 C ATOM 811 C ALA A 58 35.960 -17.583 0.101 1.00 1.03 C ATOM 812 O ALA A 58 35.533 -16.670 -0.602 1.00 1.17 O ATOM 813 CB ALA A 58 37.368 -19.270 -1.086 1.00 1.43 C ATOM 0 H ALA A 58 37.996 -19.540 1.301 1.00 1.03 H new ATOM 0 HA ALA A 58 37.973 -17.286 -0.502 1.00 1.19 H new ATOM 0 HB1 ALA A 58 36.900 -18.952 -2.018 1.00 1.43 H new ATOM 0 HB2 ALA A 58 38.391 -19.590 -1.285 1.00 1.43 H new ATOM 0 HB3 ALA A 58 36.804 -20.100 -0.661 1.00 1.43 H new ATOM 819 N HIS A 59 35.222 -18.172 1.039 1.00 0.87 N ATOM 820 CA HIS A 59 33.847 -17.775 1.290 1.00 0.90 C ATOM 821 C HIS A 59 33.729 -16.361 1.840 1.00 0.80 C ATOM 822 O HIS A 59 32.752 -15.672 1.555 1.00 0.89 O ATOM 823 CB HIS A 59 33.171 -18.767 2.233 1.00 1.13 C ATOM 824 CG HIS A 59 32.046 -19.498 1.583 1.00 1.46 C ATOM 825 ND1 HIS A 59 31.878 -19.582 0.218 1.00 2.16 N ATOM 826 CD2 HIS A 59 30.999 -20.152 2.133 1.00 1.68 C ATOM 827 CE1 HIS A 59 30.753 -20.259 -0.016 1.00 2.61 C ATOM 828 NE2 HIS A 59 30.181 -20.628 1.115 1.00 2.36 N ATOM 0 H HIS A 59 35.558 -18.927 1.637 1.00 0.87 H new ATOM 0 HA HIS A 59 33.338 -17.782 0.326 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.909 -19.486 2.589 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.797 -18.235 3.107 1.00 1.13 H new ATOM 0 HD2 HIS A 59 30.826 -20.283 3.191 1.00 1.68 H new ATOM 0 HE1 HIS A 59 30.362 -20.476 -0.999 1.00 2.61 H new ATOM 0 HE2 HIS A 59 29.314 -21.156 1.221 1.00 2.36 H new ATOM 836 N GLU A 60 34.696 -15.921 2.636 1.00 0.87 N ATOM 837 CA GLU A 60 34.615 -14.581 3.193 1.00 1.09 C ATOM 838 C GLU A 60 34.567 -13.545 2.069 1.00 1.11 C ATOM 839 O GLU A 60 33.569 -12.847 1.918 1.00 1.12 O ATOM 840 CB GLU A 60 35.781 -14.314 4.154 1.00 1.39 C ATOM 841 CG GLU A 60 35.387 -14.398 5.620 1.00 1.92 C ATOM 842 CD GLU A 60 35.048 -15.815 6.050 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.008 -16.341 5.599 1.00 3.01 O ATOM 844 OE2 GLU A 60 35.824 -16.398 6.835 1.00 2.70 O ATOM 0 H GLU A 60 35.522 -16.456 2.903 1.00 0.87 H new ATOM 0 HA GLU A 60 33.694 -14.498 3.770 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.576 -15.033 3.957 1.00 1.39 H new ATOM 0 HB3 GLU A 60 36.190 -13.324 3.951 1.00 1.39 H new ATOM 0 HG2 GLU A 60 36.204 -14.021 6.235 1.00 1.92 H new ATOM 0 HG3 GLU A 60 34.528 -13.752 5.800 1.00 1.92 H new ATOM 851 N PRO A 61 35.626 -13.444 1.241 1.00 1.23 N ATOM 852 CA PRO A 61 35.656 -12.496 0.123 1.00 1.42 C ATOM 853 C PRO A 61 34.582 -12.795 -0.920 1.00 1.32 C ATOM 854 O PRO A 61 33.942 -11.885 -1.446 1.00 1.44 O ATOM 855 CB PRO A 61 37.050 -12.695 -0.489 1.00 1.60 C ATOM 856 CG PRO A 61 37.845 -13.376 0.569 1.00 1.59 C ATOM 857 CD PRO A 61 36.869 -14.234 1.315 1.00 1.29 C ATOM 0 HA PRO A 61 35.463 -11.477 0.458 1.00 1.42 H new ATOM 0 HB2 PRO A 61 37.000 -13.299 -1.395 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.498 -11.741 -0.766 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.643 -13.977 0.134 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.317 -12.651 1.232 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.755 -15.214 0.852 1.00 1.29 H new ATOM 0 HD3 PRO A 61 37.182 -14.402 2.345 1.00 1.29 H new ATOM 865 N ALA A 62 34.407 -14.080 -1.224 1.00 1.18 N ATOM 866 CA ALA A 62 33.429 -14.514 -2.226 1.00 1.22 C ATOM 867 C ALA A 62 32.003 -14.133 -1.852 1.00 1.00 C ATOM 868 O ALA A 62 31.303 -13.487 -2.631 1.00 1.06 O ATOM 869 CB ALA A 62 33.521 -16.019 -2.450 1.00 1.31 C ATOM 0 H ALA A 62 34.930 -14.842 -0.791 1.00 1.18 H new ATOM 0 HA ALA A 62 33.676 -13.993 -3.151 1.00 1.22 H new ATOM 0 HB1 ALA A 62 32.787 -16.321 -3.197 1.00 1.31 H new ATOM 0 HB2 ALA A 62 34.521 -16.274 -2.800 1.00 1.31 H new ATOM 0 HB3 ALA A 62 33.321 -16.539 -1.513 1.00 1.31 H new ATOM 875 N ILE A 63 31.564 -14.551 -0.671 1.00 0.82 N ATOM 876 CA ILE A 63 30.208 -14.262 -0.223 1.00 0.73 C ATOM 877 C ILE A 63 30.025 -12.770 0.046 1.00 0.73 C ATOM 878 O ILE A 63 29.037 -12.177 -0.389 1.00 0.73 O ATOM 879 CB ILE A 63 29.830 -15.093 1.023 1.00 0.79 C ATOM 880 CG1 ILE A 63 29.809 -16.587 0.661 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.476 -14.658 1.573 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.458 -17.495 1.817 1.00 0.67 C ATOM 0 H ILE A 63 32.124 -15.088 -0.009 1.00 0.82 H new ATOM 0 HA ILE A 63 29.533 -14.549 -1.029 1.00 0.73 H new ATOM 0 HB ILE A 63 30.577 -14.924 1.798 1.00 0.79 H new ATOM 0 HG12 ILE A 63 29.090 -16.745 -0.143 1.00 1.08 H new ATOM 0 HG13 ILE A 63 30.788 -16.870 0.274 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.230 -15.257 2.450 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.518 -13.605 1.852 1.00 0.96 H new ATOM 0 HG23 ILE A 63 27.711 -14.801 0.810 1.00 0.96 H new ATOM 0 HD11 ILE A 63 29.464 -18.532 1.480 1.00 0.67 H new ATOM 0 HD12 ILE A 63 30.190 -17.368 2.615 1.00 0.67 H new ATOM 0 HD13 ILE A 63 28.466 -17.241 2.191 1.00 0.67 H new ATOM 894 N GLN A 64 30.985 -12.154 0.737 1.00 0.83 N ATOM 895 CA GLN A 64 30.911 -10.722 1.021 1.00 0.95 C ATOM 896 C GLN A 64 30.699 -9.947 -0.274 1.00 0.95 C ATOM 897 O GLN A 64 29.774 -9.143 -0.379 1.00 0.92 O ATOM 898 CB GLN A 64 32.184 -10.243 1.723 1.00 1.17 C ATOM 899 CG GLN A 64 32.200 -10.534 3.217 1.00 1.62 C ATOM 900 CD GLN A 64 33.603 -10.568 3.794 1.00 2.58 C ATOM 901 OE1 GLN A 64 34.403 -9.662 3.563 1.00 3.24 O ATOM 902 NE2 GLN A 64 33.907 -11.617 4.548 1.00 3.27 N ATOM 0 H GLN A 64 31.814 -12.619 1.107 1.00 0.83 H new ATOM 0 HA GLN A 64 30.066 -10.542 1.686 1.00 0.95 H new ATOM 0 HB2 GLN A 64 33.047 -10.720 1.259 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.292 -9.169 1.569 1.00 1.17 H new ATOM 0 HG2 GLN A 64 31.617 -9.774 3.737 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.713 -11.491 3.401 1.00 1.62 H new ATOM 0 HE21 GLN A 64 33.212 -12.345 4.713 1.00 3.27 H new ATOM 0 HE22 GLN A 64 34.836 -11.695 4.963 1.00 3.27 H new ATOM 911 N GLY A 65 31.553 -10.208 -1.267 1.00 1.05 N ATOM 912 CA GLY A 65 31.424 -9.540 -2.549 1.00 1.14 C ATOM 913 C GLY A 65 29.993 -9.558 -3.042 1.00 0.94 C ATOM 914 O GLY A 65 29.469 -8.537 -3.484 1.00 0.94 O ATOM 0 H GLY A 65 32.328 -10.868 -1.203 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.766 -8.509 -2.459 1.00 1.14 H new ATOM 0 HA3 GLY A 65 32.068 -10.027 -3.281 1.00 1.14 H new ATOM 918 N VAL A 66 29.354 -10.724 -2.945 1.00 0.83 N ATOM 919 CA VAL A 66 27.966 -10.871 -3.366 1.00 0.72 C ATOM 920 C VAL A 66 27.086 -9.882 -2.614 1.00 0.59 C ATOM 921 O VAL A 66 26.418 -9.043 -3.216 1.00 0.56 O ATOM 922 CB VAL A 66 27.443 -12.310 -3.123 1.00 0.77 C ATOM 923 CG1 VAL A 66 26.050 -12.488 -3.718 1.00 1.22 C ATOM 924 CG2 VAL A 66 28.411 -13.338 -3.693 1.00 1.46 C ATOM 0 H VAL A 66 29.777 -11.577 -2.579 1.00 0.83 H new ATOM 0 HA VAL A 66 27.924 -10.668 -4.436 1.00 0.72 H new ATOM 0 HB VAL A 66 27.373 -12.469 -2.047 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.704 -13.505 -3.535 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.363 -11.781 -3.253 1.00 1.22 H new ATOM 0 HG13 VAL A 66 26.087 -12.305 -4.792 1.00 1.22 H new ATOM 0 HG21 VAL A 66 28.025 -14.341 -3.512 1.00 1.46 H new ATOM 0 HG22 VAL A 66 28.520 -13.180 -4.766 1.00 1.46 H new ATOM 0 HG23 VAL A 66 29.382 -13.230 -3.210 1.00 1.46 H new ATOM 934 N LEU A 67 27.110 -9.973 -1.289 1.00 0.58 N ATOM 935 CA LEU A 67 26.328 -9.074 -0.447 1.00 0.62 C ATOM 936 C LEU A 67 26.551 -7.625 -0.868 1.00 0.69 C ATOM 937 O LEU A 67 25.600 -6.874 -1.086 1.00 0.71 O ATOM 938 CB LEU A 67 26.699 -9.264 1.029 1.00 0.74 C ATOM 939 CG LEU A 67 25.536 -9.649 1.951 1.00 1.29 C ATOM 940 CD1 LEU A 67 24.393 -8.647 1.829 1.00 2.13 C ATOM 941 CD2 LEU A 67 25.052 -11.061 1.641 1.00 1.90 C ATOM 0 H LEU A 67 27.662 -10.659 -0.775 1.00 0.58 H new ATOM 0 HA LEU A 67 25.272 -9.314 -0.572 1.00 0.62 H new ATOM 0 HB2 LEU A 67 27.466 -10.035 1.098 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.143 -8.339 1.397 1.00 0.74 H new ATOM 0 HG LEU A 67 25.895 -9.628 2.980 1.00 1.29 H new ATOM 0 HD11 LEU A 67 23.579 -8.941 2.492 1.00 2.13 H new ATOM 0 HD12 LEU A 67 24.748 -7.655 2.107 1.00 2.13 H new ATOM 0 HD13 LEU A 67 24.034 -8.628 0.800 1.00 2.13 H new ATOM 0 HD21 LEU A 67 24.226 -11.317 2.305 1.00 1.90 H new ATOM 0 HD22 LEU A 67 24.714 -11.111 0.606 1.00 1.90 H new ATOM 0 HD23 LEU A 67 25.869 -11.767 1.790 1.00 1.90 H new ATOM 953 N ASP A 68 27.820 -7.247 -0.990 1.00 0.79 N ATOM 954 CA ASP A 68 28.188 -5.895 -1.394 1.00 0.94 C ATOM 955 C ASP A 68 27.486 -5.509 -2.694 1.00 0.86 C ATOM 956 O ASP A 68 26.807 -4.484 -2.760 1.00 0.91 O ATOM 957 CB ASP A 68 29.711 -5.790 -1.560 1.00 1.12 C ATOM 958 CG ASP A 68 30.117 -4.924 -2.741 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.189 -3.688 -2.575 1.00 2.04 O ATOM 960 OD2 ASP A 68 30.355 -5.482 -3.836 1.00 2.24 O ATOM 0 H ASP A 68 28.614 -7.862 -0.814 1.00 0.79 H new ATOM 0 HA ASP A 68 27.869 -5.203 -0.615 1.00 0.94 H new ATOM 0 HB2 ASP A 68 30.144 -5.379 -0.648 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.128 -6.789 -1.688 1.00 1.12 H new ATOM 965 N THR A 69 27.653 -6.335 -3.724 1.00 0.80 N ATOM 966 CA THR A 69 27.032 -6.070 -5.013 1.00 0.80 C ATOM 967 C THR A 69 25.523 -5.925 -4.849 1.00 0.67 C ATOM 968 O THR A 69 24.919 -4.998 -5.385 1.00 0.73 O ATOM 969 CB THR A 69 27.359 -7.188 -6.006 1.00 0.86 C ATOM 970 OG1 THR A 69 28.744 -7.491 -5.979 1.00 1.02 O ATOM 971 CG2 THR A 69 26.991 -6.850 -7.435 1.00 0.94 C ATOM 0 H THR A 69 28.211 -7.188 -3.689 1.00 0.80 H new ATOM 0 HA THR A 69 27.431 -5.135 -5.407 1.00 0.80 H new ATOM 0 HB THR A 69 26.760 -8.041 -5.688 1.00 0.86 H new ATOM 0 HG1 THR A 69 28.952 -7.998 -5.166 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.250 -7.686 -8.085 1.00 0.94 H new ATOM 0 HG22 THR A 69 25.920 -6.659 -7.499 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.538 -5.962 -7.751 1.00 0.94 H new ATOM 979 N GLY A 70 24.920 -6.846 -4.098 1.00 0.57 N ATOM 980 CA GLY A 70 23.488 -6.795 -3.866 1.00 0.59 C ATOM 981 C GLY A 70 23.042 -5.433 -3.368 1.00 0.69 C ATOM 982 O GLY A 70 22.057 -4.876 -3.855 1.00 0.79 O ATOM 0 H GLY A 70 25.399 -7.625 -3.647 1.00 0.57 H new ATOM 0 HA2 GLY A 70 22.962 -7.033 -4.791 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.211 -7.556 -3.137 1.00 0.59 H new ATOM 986 N LYS A 71 23.774 -4.884 -2.399 1.00 0.76 N ATOM 987 CA LYS A 71 23.439 -3.573 -1.858 1.00 0.94 C ATOM 988 C LYS A 71 23.374 -2.549 -2.985 1.00 0.99 C ATOM 989 O LYS A 71 22.454 -1.732 -3.050 1.00 1.12 O ATOM 990 CB LYS A 71 24.467 -3.139 -0.805 1.00 1.05 C ATOM 991 CG LYS A 71 23.848 -2.475 0.418 1.00 1.35 C ATOM 992 CD LYS A 71 23.065 -1.221 0.051 1.00 1.91 C ATOM 993 CE LYS A 71 23.964 -0.151 -0.552 1.00 2.53 C ATOM 994 NZ LYS A 71 23.262 1.154 -0.683 1.00 3.25 N ATOM 0 H LYS A 71 24.593 -5.323 -1.978 1.00 0.76 H new ATOM 0 HA LYS A 71 22.464 -3.636 -1.375 1.00 0.94 H new ATOM 0 HB2 LYS A 71 25.036 -4.012 -0.485 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.174 -2.448 -1.264 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.186 -3.182 0.919 1.00 1.35 H new ATOM 0 HG3 LYS A 71 24.634 -2.217 1.127 1.00 1.35 H new ATOM 0 HD2 LYS A 71 22.279 -1.478 -0.659 1.00 1.91 H new ATOM 0 HD3 LYS A 71 22.575 -0.825 0.940 1.00 1.91 H new ATOM 0 HE2 LYS A 71 24.849 -0.026 0.072 1.00 2.53 H new ATOM 0 HE3 LYS A 71 24.309 -0.478 -1.533 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 23.843 1.806 -1.248 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 22.346 1.010 -1.155 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 23.105 1.560 0.261 1.00 3.25 H new ATOM 1008 N LYS A 72 24.349 -2.616 -3.888 1.00 0.95 N ATOM 1009 CA LYS A 72 24.390 -1.710 -5.029 1.00 1.08 C ATOM 1010 C LYS A 72 23.154 -1.922 -5.897 1.00 1.06 C ATOM 1011 O LYS A 72 22.449 -0.973 -6.236 1.00 1.26 O ATOM 1012 CB LYS A 72 25.661 -1.935 -5.852 1.00 1.14 C ATOM 1013 CG LYS A 72 26.026 -0.759 -6.746 1.00 1.49 C ATOM 1014 CD LYS A 72 26.892 -1.194 -7.920 1.00 2.07 C ATOM 1015 CE LYS A 72 26.051 -1.534 -9.141 1.00 2.89 C ATOM 1016 NZ LYS A 72 25.405 -0.328 -9.727 1.00 3.71 N ATOM 0 H LYS A 72 25.117 -3.286 -3.851 1.00 0.95 H new ATOM 0 HA LYS A 72 24.399 -0.683 -4.663 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.491 -2.137 -5.175 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.531 -2.823 -6.470 1.00 1.14 H new ATOM 0 HG2 LYS A 72 25.116 -0.289 -7.119 1.00 1.49 H new ATOM 0 HG3 LYS A 72 26.556 -0.008 -6.161 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.593 -0.398 -8.171 1.00 2.07 H new ATOM 0 HD3 LYS A 72 27.485 -2.062 -7.633 1.00 2.07 H new ATOM 0 HE2 LYS A 72 26.680 -2.010 -9.893 1.00 2.89 H new ATOM 0 HE3 LYS A 72 25.284 -2.257 -8.863 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 25.043 -0.554 -10.675 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 24.617 -0.026 -9.119 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 26.103 0.440 -9.797 1.00 3.71 H new ATOM 1030 N LEU A 73 22.889 -3.184 -6.228 1.00 0.89 N ATOM 1031 CA LEU A 73 21.727 -3.546 -7.035 1.00 0.98 C ATOM 1032 C LEU A 73 20.482 -2.832 -6.523 1.00 1.14 C ATOM 1033 O LEU A 73 19.651 -2.367 -7.303 1.00 1.32 O ATOM 1034 CB LEU A 73 21.502 -5.061 -6.994 1.00 0.97 C ATOM 1035 CG LEU A 73 22.039 -5.838 -8.197 1.00 0.92 C ATOM 1036 CD1 LEU A 73 23.550 -5.995 -8.101 1.00 1.52 C ATOM 1037 CD2 LEU A 73 21.360 -7.197 -8.296 1.00 0.96 C ATOM 0 H LEU A 73 23.467 -3.976 -5.948 1.00 0.89 H new ATOM 0 HA LEU A 73 21.916 -3.240 -8.064 1.00 0.98 H new ATOM 0 HB2 LEU A 73 21.968 -5.456 -6.091 1.00 0.97 H new ATOM 0 HB3 LEU A 73 20.432 -5.250 -6.910 1.00 0.97 H new ATOM 0 HG LEU A 73 21.813 -5.275 -9.103 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.914 -6.550 -8.966 1.00 1.52 H new ATOM 0 HD12 LEU A 73 24.017 -5.011 -8.079 1.00 1.52 H new ATOM 0 HD13 LEU A 73 23.802 -6.537 -7.189 1.00 1.52 H new ATOM 0 HD21 LEU A 73 21.753 -7.738 -9.157 1.00 0.96 H new ATOM 0 HD22 LEU A 73 21.555 -7.768 -7.388 1.00 0.96 H new ATOM 0 HD23 LEU A 73 20.285 -7.059 -8.414 1.00 0.96 H new ATOM 1049 N SER A 74 20.360 -2.759 -5.202 1.00 1.13 N ATOM 1050 CA SER A 74 19.219 -2.108 -4.572 1.00 1.36 C ATOM 1051 C SER A 74 19.116 -0.650 -5.005 1.00 1.52 C ATOM 1052 O SER A 74 18.068 -0.201 -5.466 1.00 1.76 O ATOM 1053 CB SER A 74 19.331 -2.193 -3.046 1.00 1.37 C ATOM 1054 OG SER A 74 19.787 -3.471 -2.636 1.00 1.67 O ATOM 0 H SER A 74 21.040 -3.144 -4.546 1.00 1.13 H new ATOM 0 HA SER A 74 18.316 -2.628 -4.892 1.00 1.36 H new ATOM 0 HB2 SER A 74 20.017 -1.426 -2.686 1.00 1.37 H new ATOM 0 HB3 SER A 74 18.360 -1.989 -2.595 1.00 1.37 H new ATOM 0 HG SER A 74 19.143 -3.863 -2.010 1.00 1.67 H new ATOM 1060 N ASP A 75 20.210 0.086 -4.842 1.00 1.47 N ATOM 1061 CA ASP A 75 20.249 1.499 -5.205 1.00 1.71 C ATOM 1062 C ASP A 75 19.886 1.703 -6.675 1.00 1.86 C ATOM 1063 O ASP A 75 19.271 2.705 -7.039 1.00 2.14 O ATOM 1064 CB ASP A 75 21.641 2.079 -4.928 1.00 1.72 C ATOM 1065 CG ASP A 75 22.237 1.585 -3.620 1.00 1.79 C ATOM 1066 OD1 ASP A 75 21.462 1.321 -2.674 1.00 2.15 O ATOM 1067 OD2 ASP A 75 23.478 1.462 -3.539 1.00 2.34 O ATOM 0 H ASP A 75 21.085 -0.274 -4.460 1.00 1.47 H new ATOM 0 HA ASP A 75 19.512 2.022 -4.595 1.00 1.71 H new ATOM 0 HB2 ASP A 75 22.309 1.816 -5.748 1.00 1.72 H new ATOM 0 HB3 ASP A 75 21.578 3.167 -4.905 1.00 1.72 H new ATOM 1072 N ASP A 76 20.287 0.753 -7.515 1.00 1.77 N ATOM 1073 CA ASP A 76 20.017 0.832 -8.949 1.00 2.01 C ATOM 1074 C ASP A 76 18.548 0.550 -9.261 1.00 1.98 C ATOM 1075 O ASP A 76 17.972 1.153 -10.168 1.00 2.28 O ATOM 1076 CB ASP A 76 20.903 -0.158 -9.715 1.00 2.20 C ATOM 1077 CG ASP A 76 22.350 -0.126 -9.259 1.00 2.36 C ATOM 1078 OD1 ASP A 76 22.922 0.981 -9.165 1.00 2.64 O ATOM 1079 OD2 ASP A 76 22.915 -1.209 -8.999 1.00 2.89 O ATOM 0 H ASP A 76 20.800 -0.081 -7.228 1.00 1.77 H new ATOM 0 HA ASP A 76 20.246 1.849 -9.268 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.509 -1.166 -9.587 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.857 0.069 -10.780 1.00 2.20 H new ATOM 1084 N ASN A 77 17.954 -0.386 -8.524 1.00 1.87 N ATOM 1085 CA ASN A 77 16.558 -0.766 -8.742 1.00 2.13 C ATOM 1086 C ASN A 77 15.592 0.167 -8.018 1.00 1.92 C ATOM 1087 O ASN A 77 15.955 0.830 -7.045 1.00 2.30 O ATOM 1088 CB ASN A 77 16.323 -2.207 -8.287 1.00 3.00 C ATOM 1089 CG ASN A 77 15.096 -2.822 -8.934 1.00 3.68 C ATOM 1090 OD1 ASN A 77 13.972 -2.782 -8.230 1.00 3.93 O flip ATOM 1091 ND2 ASN A 77 15.156 -3.316 -10.058 1.00 4.42 N flip ATOM 0 H ASN A 77 18.416 -0.896 -7.771 1.00 1.87 H new ATOM 0 HA ASN A 77 16.364 -0.684 -9.811 1.00 2.13 H new ATOM 0 HB2 ASN A 77 17.199 -2.809 -8.528 1.00 3.00 H new ATOM 0 HB3 ASN A 77 16.209 -2.230 -7.203 1.00 3.00 H new ATOM 0 HD21 ASN A 77 16.041 -3.326 -10.564 1.00 4.42 H new ATOM 0 HD22 ASN A 77 14.320 -3.716 -10.484 1.00 4.42 H new ATOM 1098 N THR A 78 14.352 0.205 -8.505 1.00 2.42 N ATOM 1099 CA THR A 78 13.311 1.046 -7.918 1.00 3.13 C ATOM 1100 C THR A 78 12.715 0.396 -6.671 1.00 3.07 C ATOM 1101 O THR A 78 12.867 0.908 -5.561 1.00 3.33 O ATOM 1102 CB THR A 78 12.208 1.307 -8.947 1.00 4.02 C ATOM 1103 OG1 THR A 78 11.869 0.112 -9.633 1.00 4.29 O ATOM 1104 CG2 THR A 78 12.590 2.341 -9.985 1.00 4.87 C ATOM 0 H THR A 78 14.043 -0.341 -9.310 1.00 2.42 H new ATOM 0 HA THR A 78 13.765 1.993 -7.625 1.00 3.13 H new ATOM 0 HB THR A 78 11.362 1.687 -8.374 1.00 4.02 H new ATOM 0 HG1 THR A 78 11.162 0.299 -10.285 1.00 4.29 H new ATOM 0 HG21 THR A 78 11.764 2.478 -10.683 1.00 4.87 H new ATOM 0 HG22 THR A 78 12.809 3.288 -9.492 1.00 4.87 H new ATOM 0 HG23 THR A 78 13.472 2.002 -10.528 1.00 4.87 H new ATOM 1112 N ILE A 79 12.030 -0.733 -6.864 1.00 3.06 N ATOM 1113 CA ILE A 79 11.398 -1.457 -5.758 1.00 3.21 C ATOM 1114 C ILE A 79 11.879 -2.905 -5.683 1.00 2.90 C ATOM 1115 O ILE A 79 12.276 -3.372 -4.620 1.00 3.08 O ATOM 1116 CB ILE A 79 9.857 -1.444 -5.879 1.00 3.81 C ATOM 1117 CG1 ILE A 79 9.426 -1.483 -7.351 1.00 4.11 C ATOM 1118 CG2 ILE A 79 9.283 -0.215 -5.186 1.00 4.49 C ATOM 1119 CD1 ILE A 79 7.972 -1.852 -7.551 1.00 4.56 C ATOM 0 H ILE A 79 11.898 -1.167 -7.778 1.00 3.06 H new ATOM 0 HA ILE A 79 11.690 -0.938 -4.845 1.00 3.21 H new ATOM 0 HB ILE A 79 9.466 -2.335 -5.388 1.00 3.81 H new ATOM 0 HG12 ILE A 79 9.609 -0.506 -7.800 1.00 4.11 H new ATOM 0 HG13 ILE A 79 10.050 -2.200 -7.884 1.00 4.11 H new ATOM 0 HG21 ILE A 79 8.197 -0.219 -5.279 1.00 4.49 H new ATOM 0 HG22 ILE A 79 9.557 -0.231 -4.131 1.00 4.49 H new ATOM 0 HG23 ILE A 79 9.684 0.686 -5.651 1.00 4.49 H new ATOM 0 HD11 ILE A 79 7.742 -1.859 -8.616 1.00 4.56 H new ATOM 0 HD12 ILE A 79 7.787 -2.842 -7.133 1.00 4.56 H new ATOM 0 HD13 ILE A 79 7.339 -1.122 -7.048 1.00 4.56 H new ATOM 1131 N GLY A 80 11.844 -3.602 -6.821 1.00 2.87 N ATOM 1132 CA GLY A 80 12.275 -5.000 -6.890 1.00 2.77 C ATOM 1133 C GLY A 80 13.385 -5.368 -5.914 1.00 2.49 C ATOM 1134 O GLY A 80 13.446 -6.503 -5.438 1.00 2.38 O ATOM 0 H GLY A 80 11.521 -3.220 -7.710 1.00 2.87 H new ATOM 0 HA2 GLY A 80 11.415 -5.642 -6.701 1.00 2.77 H new ATOM 0 HA3 GLY A 80 12.615 -5.213 -7.904 1.00 2.77 H new ATOM 1138 N LYS A 81 14.266 -4.416 -5.617 1.00 2.47 N ATOM 1139 CA LYS A 81 15.377 -4.655 -4.696 1.00 2.30 C ATOM 1140 C LYS A 81 14.913 -5.327 -3.403 1.00 2.13 C ATOM 1141 O LYS A 81 15.650 -6.114 -2.816 1.00 1.92 O ATOM 1142 CB LYS A 81 16.098 -3.345 -4.375 1.00 2.45 C ATOM 1143 CG LYS A 81 15.229 -2.319 -3.662 1.00 2.98 C ATOM 1144 CD LYS A 81 15.139 -1.017 -4.445 1.00 3.54 C ATOM 1145 CE LYS A 81 15.161 0.195 -3.527 1.00 4.27 C ATOM 1146 NZ LYS A 81 13.828 0.452 -2.919 1.00 4.40 N ATOM 0 H LYS A 81 14.233 -3.471 -6.000 1.00 2.47 H new ATOM 0 HA LYS A 81 16.069 -5.334 -5.194 1.00 2.30 H new ATOM 0 HB2 LYS A 81 16.968 -3.563 -3.755 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.469 -2.910 -5.303 1.00 2.45 H new ATOM 0 HG2 LYS A 81 14.229 -2.727 -3.518 1.00 2.98 H new ATOM 0 HG3 LYS A 81 15.638 -2.121 -2.671 1.00 2.98 H new ATOM 0 HD2 LYS A 81 15.971 -0.957 -5.147 1.00 3.54 H new ATOM 0 HD3 LYS A 81 14.222 -1.010 -5.035 1.00 3.54 H new ATOM 0 HE2 LYS A 81 15.897 0.040 -2.738 1.00 4.27 H new ATOM 0 HE3 LYS A 81 15.479 1.072 -4.091 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 13.919 1.174 -2.176 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 13.172 0.790 -3.652 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 13.460 -0.428 -2.504 1.00 4.40 H new ATOM 1160 N GLU A 82 13.692 -5.024 -2.968 1.00 2.24 N ATOM 1161 CA GLU A 82 13.146 -5.613 -1.749 1.00 2.14 C ATOM 1162 C GLU A 82 13.300 -7.134 -1.770 1.00 1.94 C ATOM 1163 O GLU A 82 13.803 -7.730 -0.815 1.00 1.76 O ATOM 1164 CB GLU A 82 11.670 -5.231 -1.588 1.00 2.37 C ATOM 1165 CG GLU A 82 11.450 -3.900 -0.882 1.00 2.74 C ATOM 1166 CD GLU A 82 11.426 -2.721 -1.837 1.00 2.68 C ATOM 1167 OE1 GLU A 82 10.344 -2.420 -2.385 1.00 3.00 O ATOM 1168 OE2 GLU A 82 12.488 -2.097 -2.040 1.00 2.89 O ATOM 0 H GLU A 82 13.063 -4.375 -3.441 1.00 2.24 H new ATOM 0 HA GLU A 82 13.704 -5.222 -0.898 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.206 -5.189 -2.574 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.161 -6.016 -1.029 1.00 2.37 H new ATOM 0 HG2 GLU A 82 10.508 -3.936 -0.334 1.00 2.74 H new ATOM 0 HG3 GLU A 82 12.241 -3.749 -0.147 1.00 2.74 H new ATOM 1175 N GLU A 83 12.879 -7.754 -2.870 1.00 2.03 N ATOM 1176 CA GLU A 83 12.986 -9.202 -3.020 1.00 1.94 C ATOM 1177 C GLU A 83 14.444 -9.634 -2.896 1.00 1.73 C ATOM 1178 O GLU A 83 14.771 -10.566 -2.161 1.00 1.57 O ATOM 1179 CB GLU A 83 12.414 -9.644 -4.373 1.00 2.17 C ATOM 1180 CG GLU A 83 12.906 -11.009 -4.840 1.00 2.39 C ATOM 1181 CD GLU A 83 14.176 -10.926 -5.673 1.00 2.51 C ATOM 1182 OE1 GLU A 83 14.201 -10.140 -6.644 1.00 2.93 O ATOM 1183 OE2 GLU A 83 15.142 -11.652 -5.358 1.00 2.94 O ATOM 0 H GLU A 83 12.461 -7.277 -3.669 1.00 2.03 H new ATOM 0 HA GLU A 83 12.408 -9.679 -2.228 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.326 -9.665 -4.306 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.673 -8.899 -5.126 1.00 2.17 H new ATOM 0 HG2 GLU A 83 13.088 -11.641 -3.971 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.124 -11.491 -5.426 1.00 2.39 H new ATOM 1190 N ILE A 84 15.315 -8.943 -3.622 1.00 1.75 N ATOM 1191 CA ILE A 84 16.740 -9.243 -3.595 1.00 1.60 C ATOM 1192 C ILE A 84 17.265 -9.222 -2.162 1.00 1.38 C ATOM 1193 O ILE A 84 17.987 -10.124 -1.742 1.00 1.22 O ATOM 1194 CB ILE A 84 17.544 -8.241 -4.453 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.023 -8.231 -5.895 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.030 -8.577 -4.420 1.00 1.57 C ATOM 1197 CD1 ILE A 84 17.439 -9.442 -6.705 1.00 2.47 C ATOM 0 H ILE A 84 15.058 -8.171 -4.237 1.00 1.75 H new ATOM 0 HA ILE A 84 16.871 -10.241 -4.014 1.00 1.60 H new ATOM 0 HB ILE A 84 17.411 -7.244 -4.033 1.00 1.73 H new ATOM 0 HG12 ILE A 84 15.935 -8.174 -5.878 1.00 2.03 H new ATOM 0 HG13 ILE A 84 17.382 -7.331 -6.395 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.579 -7.860 -5.030 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.391 -8.530 -3.393 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.185 -9.582 -4.814 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.032 -9.363 -7.713 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.527 -9.490 -6.755 1.00 2.47 H new ATOM 0 HD13 ILE A 84 17.057 -10.346 -6.230 1.00 2.47 H new ATOM 1209 N GLN A 85 16.886 -8.191 -1.415 1.00 1.45 N ATOM 1210 CA GLN A 85 17.311 -8.052 -0.026 1.00 1.35 C ATOM 1211 C GLN A 85 16.940 -9.289 0.779 1.00 1.19 C ATOM 1212 O GLN A 85 17.769 -9.842 1.500 1.00 1.05 O ATOM 1213 CB GLN A 85 16.684 -6.806 0.606 1.00 1.56 C ATOM 1214 CG GLN A 85 17.679 -5.946 1.375 1.00 1.77 C ATOM 1215 CD GLN A 85 18.509 -5.049 0.474 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.411 -5.260 -0.835 1.00 2.80 O flip ATOM 1217 NE2 GLN A 85 19.234 -4.175 0.949 1.00 3.13 N flip ATOM 0 H GLN A 85 16.284 -7.438 -1.748 1.00 1.45 H new ATOM 0 HA GLN A 85 18.396 -7.944 -0.014 1.00 1.35 H new ATOM 0 HB2 GLN A 85 16.225 -6.203 -0.178 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.885 -7.114 1.281 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.139 -5.330 2.094 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.344 -6.593 1.947 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.281 -4.045 1.960 1.00 3.13 H new ATOM 0 HE22 GLN A 85 19.788 -3.581 0.332 1.00 3.13 H new ATOM 1226 N GLN A 86 15.692 -9.727 0.647 1.00 1.26 N ATOM 1227 CA GLN A 86 15.224 -10.909 1.358 1.00 1.18 C ATOM 1228 C GLN A 86 16.052 -12.123 0.959 1.00 1.03 C ATOM 1229 O GLN A 86 16.465 -12.912 1.809 1.00 0.90 O ATOM 1230 CB GLN A 86 13.743 -11.162 1.066 1.00 1.37 C ATOM 1231 CG GLN A 86 12.819 -10.095 1.631 1.00 1.47 C ATOM 1232 CD GLN A 86 11.428 -10.152 1.029 1.00 2.31 C ATOM 1233 OE1 GLN A 86 11.165 -9.549 -0.011 1.00 2.90 O ATOM 1234 NE2 GLN A 86 10.531 -10.882 1.681 1.00 3.09 N ATOM 0 H GLN A 86 14.990 -9.282 0.056 1.00 1.26 H new ATOM 0 HA GLN A 86 15.341 -10.737 2.428 1.00 1.18 H new ATOM 0 HB2 GLN A 86 13.599 -11.221 -0.013 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.460 -12.131 1.478 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.749 -10.216 2.712 1.00 1.47 H new ATOM 0 HG3 GLN A 86 13.251 -9.111 1.447 1.00 1.47 H new ATOM 0 HE21 GLN A 86 10.794 -11.365 2.540 1.00 3.09 H new ATOM 0 HE22 GLN A 86 9.579 -10.960 1.323 1.00 3.09 H new ATOM 1243 N ARG A 87 16.293 -12.263 -0.342 1.00 1.11 N ATOM 1244 CA ARG A 87 17.077 -13.377 -0.862 1.00 1.09 C ATOM 1245 C ARG A 87 18.481 -13.378 -0.264 1.00 0.91 C ATOM 1246 O ARG A 87 18.944 -14.394 0.253 1.00 0.87 O ATOM 1247 CB ARG A 87 17.157 -13.307 -2.389 1.00 1.29 C ATOM 1248 CG ARG A 87 17.817 -14.528 -3.017 1.00 1.78 C ATOM 1249 CD ARG A 87 17.163 -14.905 -4.336 1.00 2.22 C ATOM 1250 NE ARG A 87 17.137 -13.786 -5.276 1.00 2.81 N ATOM 1251 CZ ARG A 87 18.046 -13.590 -6.227 1.00 3.73 C ATOM 1252 NH1 ARG A 87 19.066 -14.427 -6.345 1.00 4.21 N ATOM 1253 NH2 ARG A 87 17.930 -12.568 -7.066 1.00 4.43 N ATOM 0 H ARG A 87 15.955 -11.617 -1.056 1.00 1.11 H new ATOM 0 HA ARG A 87 16.579 -14.304 -0.577 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.151 -13.199 -2.794 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.713 -12.415 -2.676 1.00 1.29 H new ATOM 0 HG2 ARG A 87 18.876 -14.326 -3.180 1.00 1.78 H new ATOM 0 HG3 ARG A 87 17.756 -15.370 -2.327 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.703 -15.740 -4.782 1.00 2.22 H new ATOM 0 HD3 ARG A 87 16.144 -15.246 -4.151 1.00 2.22 H new ATOM 0 HE ARG A 87 16.374 -13.113 -5.198 1.00 2.81 H new ATOM 0 HH11 ARG A 87 19.152 -15.219 -5.708 1.00 4.21 H new ATOM 0 HH12 ARG A 87 19.765 -14.280 -7.073 1.00 4.21 H new ATOM 0 HH21 ARG A 87 17.140 -11.928 -6.984 1.00 4.43 H new ATOM 0 HH22 ARG A 87 18.630 -12.423 -7.793 1.00 4.43 H new ATOM 1267 N LEU A 88 19.163 -12.237 -0.341 1.00 0.87 N ATOM 1268 CA LEU A 88 20.511 -12.123 0.199 1.00 0.78 C ATOM 1269 C LEU A 88 20.513 -12.455 1.689 1.00 0.71 C ATOM 1270 O LEU A 88 21.374 -13.193 2.170 1.00 0.67 O ATOM 1271 CB LEU A 88 21.066 -10.712 -0.031 1.00 0.86 C ATOM 1272 CG LEU A 88 21.875 -10.527 -1.322 1.00 1.04 C ATOM 1273 CD1 LEU A 88 23.092 -11.444 -1.327 1.00 1.15 C ATOM 1274 CD2 LEU A 88 21.006 -10.782 -2.546 1.00 1.90 C ATOM 0 H LEU A 88 18.804 -11.384 -0.770 1.00 0.87 H new ATOM 0 HA LEU A 88 21.152 -12.835 -0.320 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.233 -10.009 -0.040 1.00 0.86 H new ATOM 0 HB3 LEU A 88 21.699 -10.446 0.816 1.00 0.86 H new ATOM 0 HG LEU A 88 22.222 -9.495 -1.361 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.653 -11.299 -2.250 1.00 1.15 H new ATOM 0 HD12 LEU A 88 23.729 -11.208 -0.474 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.766 -12.482 -1.260 1.00 1.15 H new ATOM 0 HD21 LEU A 88 21.601 -10.645 -3.449 1.00 1.90 H new ATOM 0 HD22 LEU A 88 20.624 -11.802 -2.515 1.00 1.90 H new ATOM 0 HD23 LEU A 88 20.171 -10.082 -2.552 1.00 1.90 H new ATOM 1286 N ALA A 89 19.532 -11.920 2.413 1.00 0.77 N ATOM 1287 CA ALA A 89 19.414 -12.176 3.843 1.00 0.81 C ATOM 1288 C ALA A 89 19.160 -13.655 4.094 1.00 0.74 C ATOM 1289 O ALA A 89 19.612 -14.214 5.093 1.00 0.77 O ATOM 1290 CB ALA A 89 18.300 -11.334 4.446 1.00 0.97 C ATOM 0 H ALA A 89 18.810 -11.308 2.032 1.00 0.77 H new ATOM 0 HA ALA A 89 20.352 -11.898 4.324 1.00 0.81 H new ATOM 0 HB1 ALA A 89 18.227 -11.539 5.514 1.00 0.97 H new ATOM 0 HB2 ALA A 89 18.519 -10.277 4.293 1.00 0.97 H new ATOM 0 HB3 ALA A 89 17.355 -11.582 3.963 1.00 0.97 H new ATOM 1296 N GLN A 90 18.444 -14.283 3.168 1.00 0.73 N ATOM 1297 CA GLN A 90 18.135 -15.702 3.269 1.00 0.79 C ATOM 1298 C GLN A 90 19.418 -16.512 3.191 1.00 0.73 C ATOM 1299 O GLN A 90 19.652 -17.411 3.996 1.00 0.79 O ATOM 1300 CB GLN A 90 17.176 -16.122 2.152 1.00 0.90 C ATOM 1301 CG GLN A 90 15.762 -16.403 2.634 1.00 1.35 C ATOM 1302 CD GLN A 90 14.881 -16.966 1.537 1.00 1.96 C ATOM 1303 OE1 GLN A 90 13.997 -16.281 1.022 1.00 2.38 O ATOM 1304 NE2 GLN A 90 15.123 -18.219 1.172 1.00 2.72 N ATOM 0 H GLN A 90 18.066 -13.829 2.337 1.00 0.73 H new ATOM 0 HA GLN A 90 17.650 -15.890 4.227 1.00 0.79 H new ATOM 0 HB2 GLN A 90 17.144 -15.335 1.398 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.568 -17.015 1.665 1.00 0.90 H new ATOM 0 HG2 GLN A 90 15.797 -17.107 3.466 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.321 -15.482 3.014 1.00 1.35 H new ATOM 0 HE21 GLN A 90 15.867 -18.748 1.627 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.565 -18.653 0.436 1.00 2.72 H new ATOM 1313 N PHE A 91 20.252 -16.177 2.211 1.00 0.66 N ATOM 1314 CA PHE A 91 21.523 -16.860 2.017 1.00 0.67 C ATOM 1315 C PHE A 91 22.279 -16.945 3.334 1.00 0.67 C ATOM 1316 O PHE A 91 22.721 -18.020 3.739 1.00 0.74 O ATOM 1317 CB PHE A 91 22.364 -16.125 0.963 1.00 0.65 C ATOM 1318 CG PHE A 91 23.739 -16.698 0.771 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.688 -16.585 1.772 1.00 1.03 C ATOM 1320 CD2 PHE A 91 24.088 -17.342 -0.408 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.954 -17.102 1.607 1.00 1.19 C ATOM 1322 CE2 PHE A 91 25.356 -17.861 -0.581 1.00 0.92 C ATOM 1323 CZ PHE A 91 26.275 -17.771 0.404 1.00 0.90 C ATOM 0 H PHE A 91 20.068 -15.434 1.537 1.00 0.66 H new ATOM 0 HA PHE A 91 21.328 -17.872 1.662 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.835 -16.149 0.010 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.455 -15.078 1.251 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.433 -16.085 2.695 1.00 1.03 H new ATOM 0 HD2 PHE A 91 23.359 -17.438 -1.199 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.693 -16.997 2.388 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.615 -18.343 -1.512 1.00 0.92 H new ATOM 0 HZ PHE A 91 27.253 -18.209 0.273 1.00 0.90 H new ATOM 1333 N VAL A 92 22.417 -15.808 4.008 1.00 0.64 N ATOM 1334 CA VAL A 92 23.117 -15.766 5.284 1.00 0.72 C ATOM 1335 C VAL A 92 22.531 -16.789 6.246 1.00 0.77 C ATOM 1336 O VAL A 92 23.243 -17.657 6.754 1.00 0.86 O ATOM 1337 CB VAL A 92 23.051 -14.364 5.928 1.00 0.77 C ATOM 1338 CG1 VAL A 92 24.168 -14.190 6.948 1.00 0.86 C ATOM 1339 CG2 VAL A 92 23.118 -13.278 4.862 1.00 1.37 C ATOM 0 H VAL A 92 22.055 -14.908 3.693 1.00 0.64 H new ATOM 0 HA VAL A 92 24.162 -16.004 5.085 1.00 0.72 H new ATOM 0 HB VAL A 92 22.097 -14.270 6.448 1.00 0.77 H new ATOM 0 HG11 VAL A 92 24.105 -13.196 7.391 1.00 0.86 H new ATOM 0 HG12 VAL A 92 24.067 -14.943 7.730 1.00 0.86 H new ATOM 0 HG13 VAL A 92 25.133 -14.307 6.454 1.00 0.86 H new ATOM 0 HG21 VAL A 92 23.070 -12.298 5.337 1.00 1.37 H new ATOM 0 HG22 VAL A 92 24.053 -13.368 4.309 1.00 1.37 H new ATOM 0 HG23 VAL A 92 22.279 -13.390 4.175 1.00 1.37 H new ATOM 1349 N ASP A 93 21.224 -16.696 6.485 1.00 0.77 N ATOM 1350 CA ASP A 93 20.551 -17.630 7.377 1.00 0.86 C ATOM 1351 C ASP A 93 20.911 -19.059 6.996 1.00 0.91 C ATOM 1352 O ASP A 93 21.310 -19.855 7.841 1.00 1.00 O ATOM 1353 CB ASP A 93 19.030 -17.438 7.333 1.00 0.90 C ATOM 1354 CG ASP A 93 18.268 -18.750 7.392 1.00 1.10 C ATOM 1355 OD1 ASP A 93 18.789 -19.764 6.882 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.148 -18.761 7.943 1.00 1.55 O ATOM 0 H ASP A 93 20.616 -15.987 6.075 1.00 0.77 H new ATOM 0 HA ASP A 93 20.886 -17.433 8.395 1.00 0.86 H new ATOM 0 HB2 ASP A 93 18.724 -16.808 8.168 1.00 0.90 H new ATOM 0 HB3 ASP A 93 18.762 -16.908 6.419 1.00 0.90 H new ATOM 1361 N HIS A 94 20.791 -19.369 5.709 1.00 0.89 N ATOM 1362 CA HIS A 94 21.114 -20.701 5.209 1.00 0.98 C ATOM 1363 C HIS A 94 22.508 -21.123 5.658 1.00 1.00 C ATOM 1364 O HIS A 94 22.666 -22.140 6.332 1.00 1.12 O ATOM 1365 CB HIS A 94 21.036 -20.734 3.679 1.00 1.00 C ATOM 1366 CG HIS A 94 19.726 -20.268 3.117 1.00 1.35 C ATOM 1367 ND1 HIS A 94 19.554 -19.852 1.815 1.00 2.17 N ATOM 1368 CD2 HIS A 94 18.503 -20.167 3.703 1.00 1.73 C ATOM 1369 CE1 HIS A 94 18.266 -19.521 1.652 1.00 2.46 C ATOM 1370 NE2 HIS A 94 17.584 -19.694 2.767 1.00 2.14 N ATOM 0 H HIS A 94 20.472 -18.716 4.993 1.00 0.89 H new ATOM 0 HA HIS A 94 20.384 -21.399 5.619 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.834 -20.112 3.273 1.00 1.00 H new ATOM 0 HB3 HIS A 94 21.222 -21.753 3.339 1.00 1.00 H new ATOM 0 HD1 HIS A 94 20.280 -19.804 1.100 1.00 2.17 H new ATOM 0 HD2 HIS A 94 18.279 -20.414 4.730 1.00 1.73 H new ATOM 0 HE1 HIS A 94 17.841 -19.159 0.727 1.00 2.46 H new ATOM 1378 N TRP A 95 23.516 -20.330 5.292 1.00 0.93 N ATOM 1379 CA TRP A 95 24.895 -20.636 5.662 1.00 1.00 C ATOM 1380 C TRP A 95 25.025 -20.828 7.167 1.00 1.06 C ATOM 1381 O TRP A 95 25.740 -21.714 7.628 1.00 1.16 O ATOM 1382 CB TRP A 95 25.847 -19.530 5.197 1.00 0.97 C ATOM 1383 CG TRP A 95 27.291 -19.944 5.232 1.00 1.09 C ATOM 1384 CD1 TRP A 95 27.797 -21.162 4.885 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.410 -19.151 5.644 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.158 -21.169 5.051 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.557 -19.947 5.514 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.552 -17.845 6.104 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 30.828 -19.480 5.831 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 29.812 -17.379 6.422 1.00 2.64 C ATOM 1391 CH2 TRP A 95 30.937 -18.196 6.284 1.00 2.05 C ATOM 0 H TRP A 95 23.403 -19.477 4.744 1.00 0.93 H new ATOM 0 HA TRP A 95 25.169 -21.566 5.164 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.584 -19.235 4.181 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.711 -18.652 5.829 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.212 -21.998 4.531 1.00 2.01 H new ATOM 0 HE1 TRP A 95 29.774 -21.959 4.860 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.689 -17.205 6.211 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 31.698 -20.110 5.723 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 29.930 -16.368 6.783 1.00 2.64 H new ATOM 0 HH2 TRP A 95 31.911 -17.805 6.540 1.00 2.05 H new ATOM 1402 N LYS A 96 24.334 -19.987 7.930 1.00 1.03 N ATOM 1403 CA LYS A 96 24.380 -20.070 9.383 1.00 1.12 C ATOM 1404 C LYS A 96 23.968 -21.465 9.861 1.00 1.21 C ATOM 1405 O LYS A 96 24.675 -22.091 10.653 1.00 1.32 O ATOM 1406 CB LYS A 96 23.503 -18.972 10.016 1.00 1.12 C ATOM 1407 CG LYS A 96 22.223 -19.472 10.674 1.00 1.49 C ATOM 1408 CD LYS A 96 21.325 -18.317 11.102 1.00 1.83 C ATOM 1409 CE LYS A 96 19.861 -18.596 10.793 1.00 2.36 C ATOM 1410 NZ LYS A 96 19.228 -19.458 11.830 1.00 2.86 N ATOM 0 H LYS A 96 23.738 -19.243 7.567 1.00 1.03 H new ATOM 0 HA LYS A 96 25.407 -19.903 9.708 1.00 1.12 H new ATOM 0 HB2 LYS A 96 24.094 -18.441 10.762 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.239 -18.249 9.244 1.00 1.12 H new ATOM 0 HG2 LYS A 96 21.683 -20.115 9.979 1.00 1.49 H new ATOM 0 HG3 LYS A 96 22.473 -20.081 11.543 1.00 1.49 H new ATOM 0 HD2 LYS A 96 21.444 -18.141 12.171 1.00 1.83 H new ATOM 0 HD3 LYS A 96 21.637 -17.406 10.592 1.00 1.83 H new ATOM 0 HE2 LYS A 96 19.319 -17.653 10.724 1.00 2.36 H new ATOM 0 HE3 LYS A 96 19.782 -19.081 9.820 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 18.362 -19.886 11.444 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 19.891 -20.209 12.109 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 18.988 -18.881 12.662 1.00 2.86 H new ATOM 1424 N GLU A 97 22.838 -21.963 9.362 1.00 1.20 N ATOM 1425 CA GLU A 97 22.367 -23.287 9.741 1.00 1.32 C ATOM 1426 C GLU A 97 23.360 -24.351 9.294 1.00 1.36 C ATOM 1427 O GLU A 97 23.622 -25.316 10.013 1.00 1.47 O ATOM 1428 CB GLU A 97 20.991 -23.560 9.131 1.00 1.36 C ATOM 1429 CG GLU A 97 19.983 -22.441 9.358 1.00 1.86 C ATOM 1430 CD GLU A 97 19.651 -22.231 10.825 1.00 2.35 C ATOM 1431 OE1 GLU A 97 20.563 -21.863 11.596 1.00 3.03 O ATOM 1432 OE2 GLU A 97 18.477 -22.424 11.203 1.00 2.68 O ATOM 0 H GLU A 97 22.238 -21.471 8.700 1.00 1.20 H new ATOM 0 HA GLU A 97 22.280 -23.324 10.827 1.00 1.32 H new ATOM 0 HB2 GLU A 97 21.105 -23.721 8.059 1.00 1.36 H new ATOM 0 HB3 GLU A 97 20.595 -24.484 9.552 1.00 1.36 H new ATOM 0 HG2 GLU A 97 20.379 -21.513 8.944 1.00 1.86 H new ATOM 0 HG3 GLU A 97 19.067 -22.668 8.813 1.00 1.86 H new ATOM 1439 N LEU A 98 23.915 -24.161 8.103 1.00 1.31 N ATOM 1440 CA LEU A 98 24.886 -25.098 7.553 1.00 1.37 C ATOM 1441 C LEU A 98 26.085 -25.225 8.483 1.00 1.42 C ATOM 1442 O LEU A 98 26.545 -26.328 8.771 1.00 1.54 O ATOM 1443 CB LEU A 98 25.341 -24.644 6.162 1.00 1.31 C ATOM 1444 CG LEU A 98 26.217 -25.649 5.404 1.00 1.61 C ATOM 1445 CD1 LEU A 98 25.356 -26.712 4.733 1.00 2.38 C ATOM 1446 CD2 LEU A 98 27.087 -24.936 4.378 1.00 2.07 C ATOM 0 H LEU A 98 23.709 -23.365 7.499 1.00 1.31 H new ATOM 0 HA LEU A 98 24.409 -26.074 7.461 1.00 1.37 H new ATOM 0 HB2 LEU A 98 24.458 -24.429 5.560 1.00 1.31 H new ATOM 0 HB3 LEU A 98 25.893 -23.709 6.264 1.00 1.31 H new ATOM 0 HG LEU A 98 26.871 -26.143 6.122 1.00 1.61 H new ATOM 0 HD11 LEU A 98 25.996 -27.416 4.200 1.00 2.38 H new ATOM 0 HD12 LEU A 98 24.781 -27.246 5.490 1.00 2.38 H new ATOM 0 HD13 LEU A 98 24.674 -26.236 4.028 1.00 2.38 H new ATOM 0 HD21 LEU A 98 27.701 -25.666 3.851 1.00 2.07 H new ATOM 0 HD22 LEU A 98 26.452 -24.413 3.663 1.00 2.07 H new ATOM 0 HD23 LEU A 98 27.732 -24.218 4.884 1.00 2.07 H new ATOM 1458 N LYS A 99 26.580 -24.086 8.959 1.00 1.38 N ATOM 1459 CA LYS A 99 27.719 -24.071 9.867 1.00 1.47 C ATOM 1460 C LYS A 99 27.409 -24.905 11.104 1.00 1.60 C ATOM 1461 O LYS A 99 28.166 -25.806 11.464 1.00 1.74 O ATOM 1462 CB LYS A 99 28.069 -22.630 10.258 1.00 1.45 C ATOM 1463 CG LYS A 99 29.243 -22.518 11.221 1.00 1.90 C ATOM 1464 CD LYS A 99 28.793 -22.102 12.615 1.00 2.41 C ATOM 1465 CE LYS A 99 28.577 -20.598 12.710 1.00 3.14 C ATOM 1466 NZ LYS A 99 27.635 -20.238 13.805 1.00 4.07 N ATOM 0 H LYS A 99 26.210 -23.163 8.731 1.00 1.38 H new ATOM 0 HA LYS A 99 28.581 -24.506 9.362 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.298 -22.065 9.355 1.00 1.45 H new ATOM 0 HB3 LYS A 99 27.194 -22.165 10.712 1.00 1.45 H new ATOM 0 HG2 LYS A 99 29.760 -23.476 11.277 1.00 1.90 H new ATOM 0 HG3 LYS A 99 29.959 -21.791 10.838 1.00 1.90 H new ATOM 0 HD2 LYS A 99 27.868 -22.620 12.869 1.00 2.41 H new ATOM 0 HD3 LYS A 99 29.541 -22.409 13.346 1.00 2.41 H new ATOM 0 HE2 LYS A 99 29.534 -20.104 12.878 1.00 3.14 H new ATOM 0 HE3 LYS A 99 28.189 -20.227 11.761 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 27.503 -19.207 13.824 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 26.719 -20.702 13.641 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 28.025 -20.554 14.716 1.00 4.07 H new ATOM 1480 N GLN A 100 26.277 -24.613 11.740 1.00 1.58 N ATOM 1481 CA GLN A 100 25.856 -25.354 12.926 1.00 1.72 C ATOM 1482 C GLN A 100 25.843 -26.853 12.639 1.00 1.81 C ATOM 1483 O GLN A 100 26.456 -27.637 13.362 1.00 1.95 O ATOM 1484 CB GLN A 100 24.467 -24.895 13.380 1.00 1.71 C ATOM 1485 CG GLN A 100 24.490 -23.665 14.276 1.00 1.93 C ATOM 1486 CD GLN A 100 24.188 -22.387 13.519 1.00 2.66 C ATOM 1487 OE1 GLN A 100 25.029 -21.492 13.429 1.00 3.23 O ATOM 1488 NE2 GLN A 100 22.983 -22.295 12.971 1.00 3.33 N ATOM 0 H GLN A 100 25.637 -23.871 11.455 1.00 1.58 H new ATOM 0 HA GLN A 100 26.569 -25.155 13.726 1.00 1.72 H new ATOM 0 HB2 GLN A 100 23.860 -24.681 12.501 1.00 1.71 H new ATOM 0 HB3 GLN A 100 23.980 -25.712 13.913 1.00 1.71 H new ATOM 0 HG2 GLN A 100 23.761 -23.790 15.077 1.00 1.93 H new ATOM 0 HG3 GLN A 100 25.469 -23.581 14.747 1.00 1.93 H new ATOM 0 HE21 GLN A 100 22.317 -23.061 13.071 1.00 3.33 H new ATOM 0 HE22 GLN A 100 22.722 -21.458 12.450 1.00 3.33 H new ATOM 1497 N LEU A 101 25.145 -27.246 11.573 1.00 1.77 N ATOM 1498 CA LEU A 101 25.065 -28.653 11.192 1.00 1.89 C ATOM 1499 C LEU A 101 26.459 -29.267 11.092 1.00 1.96 C ATOM 1500 O LEU A 101 26.714 -30.343 11.633 1.00 2.12 O ATOM 1501 CB LEU A 101 24.325 -28.804 9.861 1.00 1.86 C ATOM 1502 CG LEU A 101 22.802 -28.665 9.946 1.00 2.09 C ATOM 1503 CD1 LEU A 101 22.223 -28.265 8.597 1.00 2.59 C ATOM 1504 CD2 LEU A 101 22.172 -29.961 10.435 1.00 2.56 C ATOM 0 H LEU A 101 24.630 -26.612 10.962 1.00 1.77 H new ATOM 0 HA LEU A 101 24.509 -29.184 11.965 1.00 1.89 H new ATOM 0 HB2 LEU A 101 24.704 -28.056 9.165 1.00 1.86 H new ATOM 0 HB3 LEU A 101 24.562 -29.781 9.440 1.00 1.86 H new ATOM 0 HG LEU A 101 22.571 -27.879 10.664 1.00 2.09 H new ATOM 0 HD11 LEU A 101 21.140 -28.172 8.679 1.00 2.59 H new ATOM 0 HD12 LEU A 101 22.647 -27.310 8.288 1.00 2.59 H new ATOM 0 HD13 LEU A 101 22.466 -29.027 7.856 1.00 2.59 H new ATOM 0 HD21 LEU A 101 21.090 -29.842 10.489 1.00 2.56 H new ATOM 0 HD22 LEU A 101 22.415 -30.767 9.743 1.00 2.56 H new ATOM 0 HD23 LEU A 101 22.560 -30.203 11.424 1.00 2.56 H new ATOM 1516 N ALA A 102 27.360 -28.573 10.398 1.00 1.86 N ATOM 1517 CA ALA A 102 28.731 -29.047 10.229 1.00 1.95 C ATOM 1518 C ALA A 102 29.389 -29.298 11.582 1.00 2.09 C ATOM 1519 O ALA A 102 30.017 -30.336 11.797 1.00 2.24 O ATOM 1520 CB ALA A 102 29.540 -28.043 9.422 1.00 1.85 C ATOM 0 H ALA A 102 27.164 -27.681 9.944 1.00 1.86 H new ATOM 0 HA ALA A 102 28.703 -29.991 9.685 1.00 1.95 H new ATOM 0 HB1 ALA A 102 30.560 -28.409 9.304 1.00 1.85 H new ATOM 0 HB2 ALA A 102 29.084 -27.914 8.440 1.00 1.85 H new ATOM 0 HB3 ALA A 102 29.556 -27.086 9.943 1.00 1.85 H new ATOM 1526 N ALA A 103 29.242 -28.339 12.490 1.00 2.07 N ATOM 1527 CA ALA A 103 29.816 -28.452 13.826 1.00 2.24 C ATOM 1528 C ALA A 103 29.322 -29.717 14.516 1.00 2.38 C ATOM 1529 O ALA A 103 30.101 -30.455 15.121 1.00 2.56 O ATOM 1530 CB ALA A 103 29.471 -27.222 14.656 1.00 2.21 C ATOM 0 H ALA A 103 28.729 -27.473 12.325 1.00 2.07 H new ATOM 0 HA ALA A 103 30.900 -28.514 13.732 1.00 2.24 H new ATOM 0 HB1 ALA A 103 29.906 -27.320 15.651 1.00 2.21 H new ATOM 0 HB2 ALA A 103 29.872 -26.332 14.171 1.00 2.21 H new ATOM 0 HB3 ALA A 103 28.388 -27.132 14.741 1.00 2.21 H new ATOM 1536 N ALA A 104 28.020 -29.963 14.414 1.00 2.34 N ATOM 1537 CA ALA A 104 27.415 -31.142 15.018 1.00 2.50 C ATOM 1538 C ALA A 104 28.088 -32.413 14.510 1.00 2.58 C ATOM 1539 O ALA A 104 28.487 -33.270 15.298 1.00 2.74 O ATOM 1540 CB ALA A 104 25.921 -31.176 14.730 1.00 2.48 C ATOM 0 H ALA A 104 27.364 -29.360 13.918 1.00 2.34 H new ATOM 0 HA ALA A 104 27.559 -31.089 16.097 1.00 2.50 H new ATOM 0 HB1 ALA A 104 25.482 -32.063 15.188 1.00 2.48 H new ATOM 0 HB2 ALA A 104 25.450 -30.284 15.143 1.00 2.48 H new ATOM 0 HB3 ALA A 104 25.759 -31.206 13.653 1.00 2.48 H new ATOM 1546 N ARG A 105 28.224 -32.526 13.188 1.00 2.50 N ATOM 1547 CA ARG A 105 28.865 -33.697 12.590 1.00 2.60 C ATOM 1548 C ARG A 105 30.197 -33.965 13.280 1.00 2.72 C ATOM 1549 O ARG A 105 30.514 -35.105 13.623 1.00 2.88 O ATOM 1550 CB ARG A 105 29.078 -33.506 11.083 1.00 2.49 C ATOM 1551 CG ARG A 105 27.821 -33.122 10.309 1.00 2.62 C ATOM 1552 CD ARG A 105 26.561 -33.748 10.897 1.00 2.76 C ATOM 1553 NE ARG A 105 26.597 -35.209 10.859 1.00 3.19 N ATOM 1554 CZ ARG A 105 25.677 -35.984 11.425 1.00 3.86 C ATOM 1555 NH1 ARG A 105 24.659 -35.445 12.080 1.00 4.39 N ATOM 1556 NH2 ARG A 105 25.776 -37.302 11.334 1.00 4.42 N ATOM 0 H ARG A 105 27.902 -31.828 12.517 1.00 2.50 H new ATOM 0 HA ARG A 105 28.207 -34.555 12.728 1.00 2.60 H new ATOM 0 HB2 ARG A 105 29.833 -32.734 10.931 1.00 2.49 H new ATOM 0 HB3 ARG A 105 29.478 -34.430 10.666 1.00 2.49 H new ATOM 0 HG2 ARG A 105 27.717 -32.037 10.306 1.00 2.62 H new ATOM 0 HG3 ARG A 105 27.928 -33.435 9.270 1.00 2.62 H new ATOM 0 HD2 ARG A 105 26.441 -33.417 11.928 1.00 2.76 H new ATOM 0 HD3 ARG A 105 25.690 -33.394 10.345 1.00 2.76 H new ATOM 0 HE ARG A 105 27.371 -35.659 10.371 1.00 3.19 H new ATOM 0 HH11 ARG A 105 24.578 -34.431 12.152 1.00 4.39 H new ATOM 0 HH12 ARG A 105 23.956 -36.044 12.512 1.00 4.39 H new ATOM 0 HH21 ARG A 105 26.558 -37.721 10.830 1.00 4.42 H new ATOM 0 HH22 ARG A 105 25.071 -37.898 11.768 1.00 4.42 H new ATOM 1570 N GLY A 106 30.965 -32.897 13.500 1.00 2.67 N ATOM 1571 CA GLY A 106 32.245 -33.030 14.176 1.00 2.83 C ATOM 1572 C GLY A 106 32.054 -33.519 15.596 1.00 3.06 C ATOM 1573 O GLY A 106 32.837 -34.328 16.098 1.00 3.27 O ATOM 0 H GLY A 106 30.723 -31.946 13.223 1.00 2.67 H new ATOM 0 HA2 GLY A 106 32.880 -33.727 13.629 1.00 2.83 H new ATOM 0 HA3 GLY A 106 32.759 -32.069 14.183 1.00 2.83 H new ATOM 1577 N GLN A 107 30.990 -33.034 16.231 1.00 3.06 N ATOM 1578 CA GLN A 107 30.653 -33.423 17.594 1.00 3.32 C ATOM 1579 C GLN A 107 30.368 -34.923 17.644 1.00 3.48 C ATOM 1580 O GLN A 107 30.573 -35.577 18.667 1.00 3.75 O ATOM 1581 CB GLN A 107 29.433 -32.622 18.078 1.00 3.32 C ATOM 1582 CG GLN A 107 28.221 -33.475 18.427 1.00 3.59 C ATOM 1583 CD GLN A 107 26.982 -32.642 18.691 1.00 3.56 C ATOM 1584 OE1 GLN A 107 26.827 -32.061 19.765 1.00 3.65 O ATOM 1585 NE2 GLN A 107 26.092 -32.578 17.708 1.00 4.07 N ATOM 0 H GLN A 107 30.342 -32.364 15.817 1.00 3.06 H new ATOM 0 HA GLN A 107 31.493 -33.205 18.254 1.00 3.32 H new ATOM 0 HB2 GLN A 107 29.719 -32.042 18.955 1.00 3.32 H new ATOM 0 HB3 GLN A 107 29.150 -31.910 17.303 1.00 3.32 H new ATOM 0 HG2 GLN A 107 28.021 -34.169 17.610 1.00 3.59 H new ATOM 0 HG3 GLN A 107 28.445 -34.076 19.308 1.00 3.59 H new ATOM 0 HE21 GLN A 107 26.261 -33.076 16.834 1.00 4.07 H new ATOM 0 HE22 GLN A 107 25.239 -32.031 17.827 1.00 4.07 H new TER 1594 GLN A 107