USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1096 hydrogens (48 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 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.65) USER MOD Set 2.1: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 65 GLN : amide:sc= -0.0056 X(o=-0.0056,f=-0.4) USER MOD Set 3.2: A 108 GLN : amide:sc= 0 X(o=-0.0056,f=-0.0056) USER MOD Set 4.1: A 29 TYR OH : rot 166:sc= 1.09 USER MOD Set 4.2: A 97 THR OG1 : rot 55:sc= 0.717 USER MOD Single : A 6 SER OG : rot 180:sc= 0.00507 USER MOD Single : A 9 SER OG : rot 180:sc= -0.269 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.934 K(o=-0.93,f=-3!) USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= -0.042 (180deg=-0.467) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-11!) USER MOD Single : A 38 SER OG : rot 91:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -39:sc= 1.43 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -105:sc= -0.373 USER MOD Single : A 59 GLN : amide:sc= -0.0848 K(o=-0.085,f=-1.6!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 80 ASN : amide:sc= -3.09! C(o=-3.1!,f=-4.6!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0635 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.249 USER MOD Single : A 89 HIS : no HD1:sc= -1.16! C(o=-0.48!,f=-4.2!) USER MOD Single : A 90 GLN : amide:sc= -0.432 K(o=-0.43,f=-1.4) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2.2!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.00928 USER MOD Single : A 124 ASN : amide:sc= -0.521 K(o=-0.52,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.2) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -0.0344 X(o=-0.034,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.564 -2.675 -3.702 1.00 13.00 N ATOM 2 CA GLY A 2 -2.262 -1.860 -2.726 1.00 45.03 C ATOM 3 C GLY A 2 -1.522 -0.577 -2.405 1.00 4.34 C ATOM 4 O GLY A 2 -1.295 -0.258 -1.237 1.00 34.25 O ATOM 0 HA2 GLY A 2 -3.255 -1.618 -3.104 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -2.400 -2.435 -1.810 1.00 45.03 H new ATOM 8 N ALA A 3 -1.142 0.161 -3.442 1.00 32.43 N ATOM 9 CA ALA A 3 -0.422 1.416 -3.265 1.00 32.40 C ATOM 10 C ALA A 3 -1.332 2.612 -3.527 1.00 52.02 C ATOM 11 O ALA A 3 -0.961 3.541 -4.244 1.00 10.51 O ATOM 12 CB ALA A 3 0.791 1.463 -4.182 1.00 4.33 C ATOM 0 H ALA A 3 -1.321 -0.089 -4.415 1.00 32.43 H new ATOM 0 HA ALA A 3 -0.083 1.469 -2.230 1.00 32.40 H new ATOM 0 HB1 ALA A 3 1.319 2.406 -4.039 1.00 4.33 H new ATOM 0 HB2 ALA A 3 1.458 0.634 -3.946 1.00 4.33 H new ATOM 0 HB3 ALA A 3 0.466 1.383 -5.219 1.00 4.33 H new ATOM 18 N ARG A 4 -2.525 2.581 -2.942 1.00 25.14 N ATOM 19 CA ARG A 4 -3.488 3.662 -3.114 1.00 21.03 C ATOM 20 C ARG A 4 -3.812 3.871 -4.590 1.00 71.33 C ATOM 21 O ARG A 4 -3.104 4.589 -5.295 1.00 22.04 O ATOM 22 CB ARG A 4 -2.945 4.959 -2.511 1.00 53.12 C ATOM 23 CG ARG A 4 -3.050 5.017 -0.996 1.00 71.21 C ATOM 24 CD ARG A 4 -1.800 4.467 -0.329 1.00 43.32 C ATOM 25 NE ARG A 4 -2.025 3.146 0.253 1.00 5.21 N ATOM 26 CZ ARG A 4 -2.685 2.947 1.388 1.00 60.24 C ATOM 27 NH1 ARG A 4 -3.183 3.976 2.059 1.00 64.44 N1+ ATOM 28 NH2 ARG A 4 -2.849 1.715 1.855 1.00 34.31 N ATOM 0 H ARG A 4 -2.848 1.819 -2.345 1.00 25.14 H new ATOM 0 HA ARG A 4 -4.405 3.384 -2.594 1.00 21.03 H new ATOM 0 HB2 ARG A 4 -1.900 5.074 -2.799 1.00 53.12 H new ATOM 0 HB3 ARG A 4 -3.488 5.803 -2.937 1.00 53.12 H new ATOM 0 HG2 ARG A 4 -3.208 6.048 -0.681 1.00 71.21 H new ATOM 0 HG3 ARG A 4 -3.919 4.447 -0.668 1.00 71.21 H new ATOM 0 HD2 ARG A 4 -0.995 4.408 -1.061 1.00 43.32 H new ATOM 0 HD3 ARG A 4 -1.472 5.155 0.450 1.00 43.32 H new ATOM 0 HE ARG A 4 -1.655 2.333 -0.239 1.00 5.21 H new ATOM 0 HH11 ARG A 4 -3.060 4.924 1.704 1.00 64.44 H new ATOM 0 HH12 ARG A 4 -3.689 3.820 2.930 1.00 64.44 H new ATOM 0 HH21 ARG A 4 -2.468 0.920 1.342 1.00 34.31 H new ATOM 0 HH22 ARG A 4 -3.356 1.563 2.727 1.00 34.31 H new ATOM 42 N ALA A 5 -4.887 3.240 -5.051 1.00 54.54 N ATOM 43 CA ALA A 5 -5.306 3.358 -6.442 1.00 4.31 C ATOM 44 C ALA A 5 -6.803 3.626 -6.543 1.00 33.12 C ATOM 45 O ALA A 5 -7.549 2.825 -7.108 1.00 40.12 O ATOM 46 CB ALA A 5 -4.939 2.099 -7.212 1.00 33.04 C ATOM 0 H ALA A 5 -5.484 2.641 -4.481 1.00 54.54 H new ATOM 0 HA ALA A 5 -4.782 4.206 -6.883 1.00 4.31 H new ATOM 0 HB1 ALA A 5 -5.258 2.201 -8.249 1.00 33.04 H new ATOM 0 HB2 ALA A 5 -3.859 1.953 -7.177 1.00 33.04 H new ATOM 0 HB3 ALA A 5 -5.436 1.240 -6.762 1.00 33.04 H new ATOM 52 N SER A 6 -7.237 4.755 -5.992 1.00 34.23 N ATOM 53 CA SER A 6 -8.647 5.125 -6.018 1.00 41.33 C ATOM 54 C SER A 6 -8.894 6.259 -7.009 1.00 55.41 C ATOM 55 O SER A 6 -8.496 7.400 -6.776 1.00 43.34 O ATOM 56 CB SER A 6 -9.111 5.543 -4.622 1.00 53.03 C ATOM 57 OG SER A 6 -8.030 6.040 -3.852 1.00 11.40 O ATOM 0 H SER A 6 -6.633 5.429 -5.522 1.00 34.23 H new ATOM 0 HA SER A 6 -9.220 4.255 -6.339 1.00 41.33 H new ATOM 0 HB2 SER A 6 -9.883 6.308 -4.706 1.00 53.03 H new ATOM 0 HB3 SER A 6 -9.561 4.690 -4.114 1.00 53.03 H new ATOM 0 HG SER A 6 -8.354 6.302 -2.965 1.00 11.40 H new ATOM 63 N VAL A 7 -9.552 5.935 -8.117 1.00 74.01 N ATOM 64 CA VAL A 7 -9.855 6.925 -9.144 1.00 3.44 C ATOM 65 C VAL A 7 -11.102 7.725 -8.787 1.00 3.25 C ATOM 66 O VAL A 7 -11.035 8.936 -8.570 1.00 73.31 O ATOM 67 CB VAL A 7 -10.059 6.262 -10.519 1.00 22.01 C ATOM 68 CG1 VAL A 7 -10.212 7.318 -11.603 1.00 14.22 C ATOM 69 CG2 VAL A 7 -8.903 5.325 -10.836 1.00 34.30 C ATOM 0 H VAL A 7 -9.886 4.994 -8.327 1.00 74.01 H new ATOM 0 HA VAL A 7 -8.999 7.598 -9.197 1.00 3.44 H new ATOM 0 HB VAL A 7 -10.975 5.673 -10.486 1.00 22.01 H new ATOM 0 HG11 VAL A 7 -10.355 6.831 -12.568 1.00 14.22 H new ATOM 0 HG12 VAL A 7 -11.076 7.945 -11.381 1.00 14.22 H new ATOM 0 HG13 VAL A 7 -9.315 7.936 -11.638 1.00 14.22 H new ATOM 0 HG21 VAL A 7 -9.064 4.865 -11.811 1.00 34.30 H new ATOM 0 HG22 VAL A 7 -7.971 5.889 -10.850 1.00 34.30 H new ATOM 0 HG23 VAL A 7 -8.845 4.548 -10.074 1.00 34.30 H new ATOM 79 N LEU A 8 -12.239 7.042 -8.726 1.00 13.41 N ATOM 80 CA LEU A 8 -13.504 7.688 -8.394 1.00 20.44 C ATOM 81 C LEU A 8 -14.081 7.123 -7.100 1.00 71.00 C ATOM 82 O LEU A 8 -14.363 5.930 -7.003 1.00 34.14 O ATOM 83 CB LEU A 8 -14.507 7.507 -9.534 1.00 22.44 C ATOM 84 CG LEU A 8 -14.120 8.135 -10.875 1.00 43.02 C ATOM 85 CD1 LEU A 8 -15.131 7.764 -11.950 1.00 43.53 C ATOM 86 CD2 LEU A 8 -14.009 9.647 -10.742 1.00 64.34 C ATOM 0 H LEU A 8 -12.311 6.040 -8.902 1.00 13.41 H new ATOM 0 HA LEU A 8 -13.313 8.752 -8.252 1.00 20.44 H new ATOM 0 HB2 LEU A 8 -14.664 6.439 -9.687 1.00 22.44 H new ATOM 0 HB3 LEU A 8 -15.463 7.928 -9.221 1.00 22.44 H new ATOM 0 HG LEU A 8 -13.147 7.744 -11.171 1.00 43.02 H new ATOM 0 HD11 LEU A 8 -14.839 8.219 -12.896 1.00 43.53 H new ATOM 0 HD12 LEU A 8 -15.161 6.680 -12.063 1.00 43.53 H new ATOM 0 HD13 LEU A 8 -16.118 8.126 -11.662 1.00 43.53 H new ATOM 0 HD21 LEU A 8 -13.733 10.078 -11.705 1.00 64.34 H new ATOM 0 HD22 LEU A 8 -14.968 10.056 -10.423 1.00 64.34 H new ATOM 0 HD23 LEU A 8 -13.246 9.892 -10.003 1.00 64.34 H new ATOM 98 N SER A 9 -14.255 7.991 -6.108 1.00 72.23 N ATOM 99 CA SER A 9 -14.798 7.578 -4.819 1.00 4.45 C ATOM 100 C SER A 9 -16.270 7.202 -4.944 1.00 73.33 C ATOM 101 O SER A 9 -16.808 7.114 -6.047 1.00 62.20 O ATOM 102 CB SER A 9 -14.631 8.699 -3.790 1.00 72.01 C ATOM 103 OG SER A 9 -15.576 9.732 -4.005 1.00 23.13 O ATOM 0 H SER A 9 -14.028 8.983 -6.172 1.00 72.23 H new ATOM 0 HA SER A 9 -14.245 6.700 -4.484 1.00 4.45 H new ATOM 0 HB2 SER A 9 -14.751 8.295 -2.785 1.00 72.01 H new ATOM 0 HB3 SER A 9 -13.622 9.106 -3.851 1.00 72.01 H new ATOM 0 HG SER A 9 -15.450 10.435 -3.334 1.00 23.13 H new ATOM 109 N GLY A 10 -16.918 6.980 -3.804 1.00 3.21 N ATOM 110 CA GLY A 10 -18.322 6.615 -3.807 1.00 3.00 C ATOM 111 C GLY A 10 -19.177 7.607 -4.570 1.00 63.20 C ATOM 112 O GLY A 10 -19.968 7.223 -5.430 1.00 34.02 O ATOM 0 H GLY A 10 -16.495 7.047 -2.878 1.00 3.21 H new ATOM 0 HA2 GLY A 10 -18.436 5.626 -4.250 1.00 3.00 H new ATOM 0 HA3 GLY A 10 -18.679 6.547 -2.779 1.00 3.00 H new ATOM 116 N GLY A 11 -19.019 8.889 -4.254 1.00 13.24 N ATOM 117 CA GLY A 11 -19.790 9.919 -4.925 1.00 70.33 C ATOM 118 C GLY A 11 -19.420 10.061 -6.387 1.00 22.42 C ATOM 119 O GLY A 11 -20.294 10.147 -7.250 1.00 52.41 O ATOM 0 H GLY A 11 -18.371 9.232 -3.545 1.00 13.24 H new ATOM 0 HA2 GLY A 11 -20.851 9.685 -4.843 1.00 70.33 H new ATOM 0 HA3 GLY A 11 -19.634 10.872 -4.420 1.00 70.33 H new ATOM 123 N GLU A 12 -18.120 10.088 -6.667 1.00 65.44 N ATOM 124 CA GLU A 12 -17.637 10.225 -8.036 1.00 61.43 C ATOM 125 C GLU A 12 -18.081 9.040 -8.890 1.00 4.24 C ATOM 126 O GLU A 12 -18.252 9.164 -10.104 1.00 51.31 O ATOM 127 CB GLU A 12 -16.112 10.338 -8.054 1.00 72.02 C ATOM 128 CG GLU A 12 -15.564 11.332 -7.044 1.00 42.24 C ATOM 129 CD GLU A 12 -14.068 11.539 -7.181 1.00 22.41 C ATOM 130 OE1 GLU A 12 -13.304 10.767 -6.565 1.00 55.02 O ATOM 131 OE2 GLU A 12 -13.662 12.472 -7.904 1.00 1.24 O1- ATOM 0 H GLU A 12 -17.384 10.017 -5.965 1.00 65.44 H new ATOM 0 HA GLU A 12 -18.066 11.135 -8.456 1.00 61.43 H new ATOM 0 HB2 GLU A 12 -15.681 9.357 -7.856 1.00 72.02 H new ATOM 0 HB3 GLU A 12 -15.790 10.632 -9.053 1.00 72.02 H new ATOM 0 HG2 GLU A 12 -16.072 12.288 -7.169 1.00 42.24 H new ATOM 0 HG3 GLU A 12 -15.788 10.981 -6.037 1.00 42.24 H new ATOM 138 N LEU A 13 -18.263 7.891 -8.247 1.00 65.41 N ATOM 139 CA LEU A 13 -18.685 6.683 -8.947 1.00 71.11 C ATOM 140 C LEU A 13 -20.103 6.834 -9.488 1.00 31.43 C ATOM 141 O LEU A 13 -20.346 6.643 -10.680 1.00 31.15 O ATOM 142 CB LEU A 13 -18.612 5.476 -8.010 1.00 63.02 C ATOM 143 CG LEU A 13 -18.686 4.102 -8.677 1.00 22.12 C ATOM 144 CD1 LEU A 13 -17.536 3.922 -9.656 1.00 73.03 C ATOM 145 CD2 LEU A 13 -18.676 2.998 -7.629 1.00 23.43 C ATOM 0 H LEU A 13 -18.125 7.771 -7.244 1.00 65.41 H new ATOM 0 HA LEU A 13 -18.010 6.525 -9.788 1.00 71.11 H new ATOM 0 HB2 LEU A 13 -17.681 5.534 -7.447 1.00 63.02 H new ATOM 0 HB3 LEU A 13 -19.426 5.552 -7.289 1.00 63.02 H new ATOM 0 HG LEU A 13 -19.622 4.039 -9.232 1.00 22.12 H new ATOM 0 HD11 LEU A 13 -17.605 2.939 -10.121 1.00 73.03 H new ATOM 0 HD12 LEU A 13 -17.589 4.692 -10.426 1.00 73.03 H new ATOM 0 HD13 LEU A 13 -16.589 4.006 -9.124 1.00 73.03 H new ATOM 0 HD21 LEU A 13 -18.729 2.028 -8.122 1.00 23.43 H new ATOM 0 HD22 LEU A 13 -17.757 3.059 -7.046 1.00 23.43 H new ATOM 0 HD23 LEU A 13 -19.534 3.116 -6.968 1.00 23.43 H new ATOM 157 N ASP A 14 -21.034 7.181 -8.607 1.00 1.12 N ATOM 158 CA ASP A 14 -22.427 7.363 -8.998 1.00 53.01 C ATOM 159 C ASP A 14 -22.539 8.314 -10.185 1.00 50.04 C ATOM 160 O ASP A 14 -23.179 7.999 -11.188 1.00 13.24 O ATOM 161 CB ASP A 14 -23.243 7.897 -7.820 1.00 60.03 C ATOM 162 CG ASP A 14 -24.382 6.972 -7.437 1.00 33.43 C ATOM 163 OD1 ASP A 14 -25.343 6.858 -8.225 1.00 34.21 O1- ATOM 164 OD2 ASP A 14 -24.311 6.363 -6.349 1.00 75.54 O ATOM 0 H ASP A 14 -20.850 7.342 -7.617 1.00 1.12 H new ATOM 0 HA ASP A 14 -22.825 6.393 -9.296 1.00 53.01 H new ATOM 0 HB2 ASP A 14 -22.587 8.036 -6.961 1.00 60.03 H new ATOM 0 HB3 ASP A 14 -23.645 8.877 -8.075 1.00 60.03 H new ATOM 169 N LYS A 15 -21.914 9.481 -10.062 1.00 74.43 N ATOM 170 CA LYS A 15 -21.944 10.479 -11.124 1.00 32.21 C ATOM 171 C LYS A 15 -21.291 9.943 -12.394 1.00 61.02 C ATOM 172 O LYS A 15 -21.763 10.199 -13.502 1.00 54.30 O ATOM 173 CB LYS A 15 -21.231 11.755 -10.672 1.00 4.40 C ATOM 174 CG LYS A 15 -21.973 12.514 -9.584 1.00 41.30 C ATOM 175 CD LYS A 15 -21.019 13.054 -8.532 1.00 63.44 C ATOM 176 CE LYS A 15 -20.485 14.426 -8.916 1.00 61.21 C ATOM 177 NZ LYS A 15 -20.464 15.358 -7.756 1.00 3.42 N1+ ATOM 0 H LYS A 15 -21.381 9.758 -9.238 1.00 74.43 H new ATOM 0 HA LYS A 15 -22.987 10.709 -11.342 1.00 32.21 H new ATOM 0 HB2 LYS A 15 -20.236 11.496 -10.309 1.00 4.40 H new ATOM 0 HB3 LYS A 15 -21.096 12.410 -11.533 1.00 4.40 H new ATOM 0 HG2 LYS A 15 -22.530 13.339 -10.029 1.00 41.30 H new ATOM 0 HG3 LYS A 15 -22.702 11.855 -9.112 1.00 41.30 H new ATOM 0 HD2 LYS A 15 -21.532 13.117 -7.572 1.00 63.44 H new ATOM 0 HD3 LYS A 15 -20.187 12.361 -8.404 1.00 63.44 H new ATOM 0 HE2 LYS A 15 -19.477 14.324 -9.318 1.00 61.21 H new ATOM 0 HE3 LYS A 15 -21.103 14.847 -9.709 1.00 61.21 H new ATOM 0 HZ1 LYS A 15 -20.094 16.281 -8.059 1.00 3.42 H new ATOM 0 HZ2 LYS A 15 -21.430 15.476 -7.388 1.00 3.42 H new ATOM 0 HZ3 LYS A 15 -19.854 14.969 -7.009 1.00 3.42 H new ATOM 191 N TRP A 16 -20.205 9.197 -12.225 1.00 23.43 N ATOM 192 CA TRP A 16 -19.488 8.623 -13.359 1.00 63.32 C ATOM 193 C TRP A 16 -20.401 7.719 -14.178 1.00 10.44 C ATOM 194 O TRP A 16 -20.604 7.944 -15.371 1.00 42.34 O ATOM 195 CB TRP A 16 -18.271 7.835 -12.873 1.00 45.32 C ATOM 196 CG TRP A 16 -17.527 7.149 -13.978 1.00 43.21 C ATOM 197 CD1 TRP A 16 -17.569 5.821 -14.292 1.00 33.05 C ATOM 198 CD2 TRP A 16 -16.630 7.758 -14.914 1.00 53.43 C ATOM 199 NE1 TRP A 16 -16.751 5.566 -15.368 1.00 44.51 N ATOM 200 CE2 TRP A 16 -16.165 6.739 -15.768 1.00 14.54 C ATOM 201 CE3 TRP A 16 -16.175 9.064 -15.115 1.00 72.12 C ATOM 202 CZ2 TRP A 16 -15.268 6.987 -16.803 1.00 30.12 C ATOM 203 CZ3 TRP A 16 -15.286 9.309 -16.143 1.00 1.40 C ATOM 204 CH2 TRP A 16 -14.839 8.275 -16.977 1.00 70.25 C ATOM 0 H TRP A 16 -19.802 8.975 -11.315 1.00 23.43 H new ATOM 0 HA TRP A 16 -19.151 9.441 -13.996 1.00 63.32 H new ATOM 0 HB2 TRP A 16 -17.593 8.512 -12.354 1.00 45.32 H new ATOM 0 HB3 TRP A 16 -18.596 7.090 -12.147 1.00 45.32 H new ATOM 0 HD1 TRP A 16 -18.158 5.080 -13.772 1.00 33.05 H new ATOM 0 HE1 TRP A 16 -16.604 4.653 -15.798 1.00 44.51 H new ATOM 0 HE3 TRP A 16 -16.513 9.868 -14.477 1.00 72.12 H new ATOM 0 HZ2 TRP A 16 -14.923 6.191 -17.446 1.00 30.12 H new ATOM 0 HZ3 TRP A 16 -14.929 10.315 -16.307 1.00 1.40 H new ATOM 0 HH2 TRP A 16 -14.143 8.499 -17.772 1.00 70.25 H new ATOM 215 N GLU A 17 -20.949 6.695 -13.530 1.00 23.23 N ATOM 216 CA GLU A 17 -21.840 5.756 -14.201 1.00 21.42 C ATOM 217 C GLU A 17 -23.013 6.487 -14.849 1.00 22.35 C ATOM 218 O GLU A 17 -23.597 6.009 -15.822 1.00 51.12 O ATOM 219 CB GLU A 17 -22.361 4.714 -13.209 1.00 2.12 C ATOM 220 CG GLU A 17 -21.298 3.730 -12.747 1.00 60.31 C ATOM 221 CD GLU A 17 -21.882 2.564 -11.973 1.00 5.24 C ATOM 222 OE1 GLU A 17 -22.912 2.016 -12.415 1.00 75.42 O ATOM 223 OE2 GLU A 17 -21.307 2.200 -10.926 1.00 10.42 O1- ATOM 0 H GLU A 17 -20.791 6.495 -12.542 1.00 23.23 H new ATOM 0 HA GLU A 17 -21.271 5.251 -14.982 1.00 21.42 H new ATOM 0 HB2 GLU A 17 -22.773 5.226 -12.339 1.00 2.12 H new ATOM 0 HB3 GLU A 17 -23.179 4.162 -13.671 1.00 2.12 H new ATOM 0 HG2 GLU A 17 -20.757 3.351 -13.614 1.00 60.31 H new ATOM 0 HG3 GLU A 17 -20.573 4.251 -12.121 1.00 60.31 H new ATOM 230 N LYS A 18 -23.352 7.649 -14.303 1.00 63.04 N ATOM 231 CA LYS A 18 -24.454 8.449 -14.825 1.00 61.33 C ATOM 232 C LYS A 18 -24.059 9.131 -16.131 1.00 21.12 C ATOM 233 O LYS A 18 -24.754 9.010 -17.140 1.00 62.13 O ATOM 234 CB LYS A 18 -24.882 9.500 -13.798 1.00 10.43 C ATOM 235 CG LYS A 18 -26.358 9.851 -13.866 1.00 41.30 C ATOM 236 CD LYS A 18 -26.649 10.820 -14.998 1.00 23.44 C ATOM 237 CE LYS A 18 -28.108 11.248 -15.005 1.00 62.23 C ATOM 238 NZ LYS A 18 -28.252 12.727 -15.111 1.00 40.43 N1+ ATOM 0 H LYS A 18 -22.879 8.059 -13.498 1.00 63.04 H new ATOM 0 HA LYS A 18 -25.293 7.781 -15.022 1.00 61.33 H new ATOM 0 HB2 LYS A 18 -24.650 9.134 -12.798 1.00 10.43 H new ATOM 0 HB3 LYS A 18 -24.294 10.405 -13.951 1.00 10.43 H new ATOM 0 HG2 LYS A 18 -26.943 8.942 -14.005 1.00 41.30 H new ATOM 0 HG3 LYS A 18 -26.672 10.291 -12.920 1.00 41.30 H new ATOM 0 HD2 LYS A 18 -26.012 11.699 -14.899 1.00 23.44 H new ATOM 0 HD3 LYS A 18 -26.401 10.352 -15.951 1.00 23.44 H new ATOM 0 HE2 LYS A 18 -28.622 10.772 -15.840 1.00 62.23 H new ATOM 0 HE3 LYS A 18 -28.593 10.900 -14.093 1.00 62.23 H new ATOM 0 HZ1 LYS A 18 -29.261 12.978 -15.113 1.00 40.43 H new ATOM 0 HZ2 LYS A 18 -27.784 13.180 -14.301 1.00 40.43 H new ATOM 0 HZ3 LYS A 18 -27.812 13.056 -15.994 1.00 40.43 H new ATOM 252 N ILE A 19 -22.939 9.846 -16.105 1.00 65.40 N ATOM 253 CA ILE A 19 -22.452 10.545 -17.288 1.00 51.34 C ATOM 254 C ILE A 19 -22.373 9.606 -18.488 1.00 61.15 C ATOM 255 O ILE A 19 -22.042 8.430 -18.347 1.00 15.44 O ATOM 256 CB ILE A 19 -21.063 11.164 -17.043 1.00 41.01 C ATOM 257 CG1 ILE A 19 -21.115 12.141 -15.867 1.00 54.35 C ATOM 258 CG2 ILE A 19 -20.567 11.865 -18.299 1.00 70.34 C ATOM 259 CD1 ILE A 19 -19.961 11.987 -14.902 1.00 2.13 C ATOM 0 H ILE A 19 -22.352 9.956 -15.278 1.00 65.40 H new ATOM 0 HA ILE A 19 -23.165 11.342 -17.500 1.00 51.34 H new ATOM 0 HB ILE A 19 -20.364 10.365 -16.796 1.00 41.01 H new ATOM 0 HG12 ILE A 19 -21.122 13.161 -16.252 1.00 54.35 H new ATOM 0 HG13 ILE A 19 -22.051 11.998 -15.327 1.00 54.35 H new ATOM 0 HG21 ILE A 19 -19.584 12.297 -18.110 1.00 70.34 H new ATOM 0 HG22 ILE A 19 -20.496 11.145 -19.114 1.00 70.34 H new ATOM 0 HG23 ILE A 19 -21.265 12.656 -18.574 1.00 70.34 H new ATOM 0 HD11 ILE A 19 -20.063 12.711 -14.094 1.00 2.13 H new ATOM 0 HD12 ILE A 19 -19.965 10.979 -14.488 1.00 2.13 H new ATOM 0 HD13 ILE A 19 -19.022 12.160 -15.427 1.00 2.13 H new ATOM 271 N ARG A 20 -22.680 10.137 -19.667 1.00 53.02 N ATOM 272 CA ARG A 20 -22.644 9.347 -20.892 1.00 40.44 C ATOM 273 C ARG A 20 -21.454 9.743 -21.760 1.00 62.42 C ATOM 274 O ARG A 20 -20.941 10.859 -21.658 1.00 65.13 O ATOM 275 CB ARG A 20 -23.945 9.526 -21.678 1.00 55.42 C ATOM 276 CG ARG A 20 -25.193 9.218 -20.868 1.00 53.15 C ATOM 277 CD ARG A 20 -26.104 10.432 -20.765 1.00 40.11 C ATOM 278 NE ARG A 20 -27.004 10.539 -21.910 1.00 0.52 N ATOM 279 CZ ARG A 20 -28.024 11.388 -21.966 1.00 73.15 C ATOM 280 NH1 ARG A 20 -28.272 12.200 -20.947 1.00 11.34 N1+ ATOM 281 NH2 ARG A 20 -28.798 11.427 -23.042 1.00 75.30 N ATOM 0 H ARG A 20 -22.956 11.110 -19.800 1.00 53.02 H new ATOM 0 HA ARG A 20 -22.536 8.298 -20.615 1.00 40.44 H new ATOM 0 HB2 ARG A 20 -24.002 10.552 -22.041 1.00 55.42 H new ATOM 0 HB3 ARG A 20 -23.922 8.878 -22.555 1.00 55.42 H new ATOM 0 HG2 ARG A 20 -25.735 8.394 -21.332 1.00 53.15 H new ATOM 0 HG3 ARG A 20 -24.908 8.890 -19.868 1.00 53.15 H new ATOM 0 HD2 ARG A 20 -26.690 10.369 -19.848 1.00 40.11 H new ATOM 0 HD3 ARG A 20 -25.498 11.335 -20.695 1.00 40.11 H new ATOM 0 HE ARG A 20 -26.840 9.928 -22.711 1.00 0.52 H new ATOM 0 HH11 ARG A 20 -27.679 12.173 -20.118 1.00 11.34 H new ATOM 0 HH12 ARG A 20 -29.056 12.851 -20.993 1.00 11.34 H new ATOM 0 HH21 ARG A 20 -28.610 10.805 -23.828 1.00 75.30 H new ATOM 0 HH22 ARG A 20 -29.581 12.079 -23.084 1.00 75.30 H new ATOM 295 N LEU A 21 -21.018 8.824 -22.614 1.00 73.11 N ATOM 296 CA LEU A 21 -19.888 9.078 -23.500 1.00 14.24 C ATOM 297 C LEU A 21 -20.260 10.086 -24.582 1.00 35.54 C ATOM 298 O LEU A 21 -19.399 10.792 -25.109 1.00 34.53 O ATOM 299 CB LEU A 21 -19.416 7.772 -24.144 1.00 72.33 C ATOM 300 CG LEU A 21 -19.166 6.605 -23.188 1.00 64.03 C ATOM 301 CD1 LEU A 21 -19.592 5.292 -23.826 1.00 50.31 C ATOM 302 CD2 LEU A 21 -17.700 6.552 -22.783 1.00 21.11 C ATOM 0 H LEU A 21 -21.430 7.896 -22.712 1.00 73.11 H new ATOM 0 HA LEU A 21 -19.077 9.496 -22.903 1.00 14.24 H new ATOM 0 HB2 LEU A 21 -20.160 7.462 -24.877 1.00 72.33 H new ATOM 0 HB3 LEU A 21 -18.494 7.972 -24.690 1.00 72.33 H new ATOM 0 HG LEU A 21 -19.765 6.761 -22.291 1.00 64.03 H new ATOM 0 HD11 LEU A 21 -19.407 4.473 -23.131 1.00 50.31 H new ATOM 0 HD12 LEU A 21 -20.655 5.332 -24.065 1.00 50.31 H new ATOM 0 HD13 LEU A 21 -19.020 5.129 -24.740 1.00 50.31 H new ATOM 0 HD21 LEU A 21 -17.541 5.716 -22.103 1.00 21.11 H new ATOM 0 HD22 LEU A 21 -17.082 6.420 -23.671 1.00 21.11 H new ATOM 0 HD23 LEU A 21 -17.426 7.482 -22.285 1.00 21.11 H new ATOM 314 N ARG A 22 -21.547 10.149 -24.909 1.00 45.03 N ATOM 315 CA ARG A 22 -22.033 11.072 -25.927 1.00 13.14 C ATOM 316 C ARG A 22 -23.399 11.634 -25.544 1.00 10.24 C ATOM 317 O ARG A 22 -24.123 11.069 -24.725 1.00 13.32 O ATOM 318 CB ARG A 22 -22.121 10.368 -27.283 1.00 3.20 C ATOM 319 CG ARG A 22 -20.839 10.448 -28.095 1.00 13.10 C ATOM 320 CD ARG A 22 -20.981 9.737 -29.432 1.00 43.13 C ATOM 321 NE ARG A 22 -19.947 8.726 -29.627 1.00 12.35 N ATOM 322 CZ ARG A 22 -19.620 8.229 -30.816 1.00 42.10 C ATOM 323 NH1 ARG A 22 -20.244 8.649 -31.908 1.00 42.44 N1+ ATOM 324 NH2 ARG A 22 -18.667 7.310 -30.913 1.00 63.33 N ATOM 0 H ARG A 22 -22.272 9.571 -24.483 1.00 45.03 H new ATOM 0 HA ARG A 22 -21.327 11.899 -25.999 1.00 13.14 H new ATOM 0 HB2 ARG A 22 -22.375 9.320 -27.123 1.00 3.20 H new ATOM 0 HB3 ARG A 22 -22.934 10.809 -27.860 1.00 3.20 H new ATOM 0 HG2 ARG A 22 -20.578 11.493 -28.263 1.00 13.10 H new ATOM 0 HG3 ARG A 22 -20.021 10.002 -27.530 1.00 13.10 H new ATOM 0 HD2 ARG A 22 -21.963 9.267 -29.490 1.00 43.13 H new ATOM 0 HD3 ARG A 22 -20.929 10.468 -30.239 1.00 43.13 H new ATOM 0 HE ARG A 22 -19.448 8.382 -28.807 1.00 12.35 H new ATOM 0 HH11 ARG A 22 -20.977 9.355 -31.837 1.00 42.44 H new ATOM 0 HH12 ARG A 22 -19.991 8.266 -32.819 1.00 42.44 H new ATOM 0 HH21 ARG A 22 -18.185 6.985 -30.075 1.00 63.33 H new ATOM 0 HH22 ARG A 22 -18.417 6.929 -31.826 1.00 63.33 H new ATOM 338 N PRO A 23 -23.761 12.775 -26.150 1.00 11.13 N ATOM 339 CA PRO A 23 -25.041 13.439 -25.888 1.00 63.32 C ATOM 340 C PRO A 23 -26.225 12.654 -26.443 1.00 41.12 C ATOM 341 O PRO A 23 -27.277 12.570 -25.812 1.00 65.12 O ATOM 342 CB PRO A 23 -24.901 14.779 -26.614 1.00 24.14 C ATOM 343 CG PRO A 23 -23.903 14.524 -27.692 1.00 71.24 C ATOM 344 CD PRO A 23 -22.947 13.504 -27.137 1.00 71.40 C ATOM 0 HA PRO A 23 -25.239 13.536 -24.820 1.00 63.32 H new ATOM 0 HB2 PRO A 23 -25.855 15.107 -27.027 1.00 24.14 H new ATOM 0 HB3 PRO A 23 -24.561 15.562 -25.937 1.00 24.14 H new ATOM 0 HG2 PRO A 23 -24.389 14.153 -28.594 1.00 71.24 H new ATOM 0 HG3 PRO A 23 -23.381 15.441 -27.965 1.00 71.24 H new ATOM 0 HD2 PRO A 23 -22.570 12.841 -27.916 1.00 71.40 H new ATOM 0 HD3 PRO A 23 -22.081 13.976 -26.674 1.00 71.40 H new ATOM 352 N GLY A 24 -26.044 12.080 -27.629 1.00 55.25 N ATOM 353 CA GLY A 24 -27.107 11.308 -28.248 1.00 24.42 C ATOM 354 C GLY A 24 -26.779 9.831 -28.330 1.00 2.44 C ATOM 355 O GLY A 24 -27.123 9.164 -29.305 1.00 64.22 O ATOM 0 H GLY A 24 -25.182 12.135 -28.172 1.00 55.25 H new ATOM 0 HA2 GLY A 24 -28.027 11.442 -27.679 1.00 24.42 H new ATOM 0 HA3 GLY A 24 -27.294 11.692 -29.251 1.00 24.42 H new ATOM 359 N GLY A 25 -26.109 9.317 -27.303 1.00 50.32 N ATOM 360 CA GLY A 25 -25.744 7.912 -27.283 1.00 62.12 C ATOM 361 C GLY A 25 -26.775 7.055 -26.576 1.00 52.42 C ATOM 362 O GLY A 25 -27.784 7.561 -26.085 1.00 21.52 O ATOM 0 H GLY A 25 -25.812 9.848 -26.484 1.00 50.32 H new ATOM 0 HA2 GLY A 25 -25.621 7.557 -28.306 1.00 62.12 H new ATOM 0 HA3 GLY A 25 -24.780 7.797 -26.788 1.00 62.12 H new ATOM 366 N LYS A 26 -26.523 5.752 -26.524 1.00 11.31 N ATOM 367 CA LYS A 26 -27.436 4.820 -25.873 1.00 41.13 C ATOM 368 C LYS A 26 -26.723 4.034 -24.778 1.00 13.41 C ATOM 369 O LYS A 26 -27.121 2.919 -24.439 1.00 64.21 O ATOM 370 CB LYS A 26 -28.034 3.856 -26.901 1.00 5.42 C ATOM 371 CG LYS A 26 -29.483 3.494 -26.624 1.00 5.21 C ATOM 372 CD LYS A 26 -30.064 2.634 -27.733 1.00 32.53 C ATOM 373 CE LYS A 26 -31.431 3.138 -28.171 1.00 4.05 C ATOM 374 NZ LYS A 26 -31.959 2.369 -29.332 1.00 24.52 N1+ ATOM 0 H LYS A 26 -25.693 5.317 -26.926 1.00 11.31 H new ATOM 0 HA LYS A 26 -28.239 5.398 -25.416 1.00 41.13 H new ATOM 0 HB2 LYS A 26 -27.963 4.305 -27.892 1.00 5.42 H new ATOM 0 HB3 LYS A 26 -27.438 2.944 -26.921 1.00 5.42 H new ATOM 0 HG2 LYS A 26 -29.551 2.961 -25.676 1.00 5.21 H new ATOM 0 HG3 LYS A 26 -30.073 4.405 -26.521 1.00 5.21 H new ATOM 0 HD2 LYS A 26 -29.386 2.631 -28.586 1.00 32.53 H new ATOM 0 HD3 LYS A 26 -30.148 1.603 -27.389 1.00 32.53 H new ATOM 0 HE2 LYS A 26 -32.130 3.063 -27.338 1.00 4.05 H new ATOM 0 HE3 LYS A 26 -31.362 4.193 -28.435 1.00 4.05 H new ATOM 0 HZ1 LYS A 26 -32.892 2.742 -29.600 1.00 24.52 H new ATOM 0 HZ2 LYS A 26 -31.305 2.461 -30.135 1.00 24.52 H new ATOM 0 HZ3 LYS A 26 -32.049 1.366 -29.072 1.00 24.52 H new ATOM 388 N LYS A 27 -25.666 4.621 -24.227 1.00 3.31 N ATOM 389 CA LYS A 27 -24.898 3.978 -23.168 1.00 1.43 C ATOM 390 C LYS A 27 -24.243 5.016 -22.262 1.00 73.22 C ATOM 391 O LYS A 27 -23.961 6.136 -22.689 1.00 53.15 O ATOM 392 CB LYS A 27 -23.826 3.065 -23.770 1.00 52.44 C ATOM 393 CG LYS A 27 -24.201 1.593 -23.749 1.00 75.42 C ATOM 394 CD LYS A 27 -23.684 0.868 -24.980 1.00 4.04 C ATOM 395 CE LYS A 27 -24.755 0.757 -26.054 1.00 13.00 C ATOM 396 NZ LYS A 27 -24.411 -0.269 -27.077 1.00 31.11 N1+ ATOM 0 H LYS A 27 -25.321 5.542 -24.497 1.00 3.31 H new ATOM 0 HA LYS A 27 -25.584 3.379 -22.569 1.00 1.43 H new ATOM 0 HB2 LYS A 27 -23.638 3.369 -24.800 1.00 52.44 H new ATOM 0 HB3 LYS A 27 -22.894 3.202 -23.222 1.00 52.44 H new ATOM 0 HG2 LYS A 27 -23.794 1.126 -22.853 1.00 75.42 H new ATOM 0 HG3 LYS A 27 -25.285 1.494 -23.696 1.00 75.42 H new ATOM 0 HD2 LYS A 27 -22.820 1.399 -25.380 1.00 4.04 H new ATOM 0 HD3 LYS A 27 -23.344 -0.129 -24.700 1.00 4.04 H new ATOM 0 HE2 LYS A 27 -25.708 0.503 -25.591 1.00 13.00 H new ATOM 0 HE3 LYS A 27 -24.884 1.724 -26.539 1.00 13.00 H new ATOM 0 HZ1 LYS A 27 -25.166 -0.314 -27.791 1.00 31.11 H new ATOM 0 HZ2 LYS A 27 -23.514 -0.013 -27.537 1.00 31.11 H new ATOM 0 HZ3 LYS A 27 -24.313 -1.197 -26.618 1.00 31.11 H new ATOM 410 N GLN A 28 -24.005 4.637 -21.010 1.00 12.25 N ATOM 411 CA GLN A 28 -23.384 5.536 -20.046 1.00 52.41 C ATOM 412 C GLN A 28 -21.910 5.194 -19.853 1.00 24.12 C ATOM 413 O GLN A 28 -21.355 4.365 -20.576 1.00 42.24 O ATOM 414 CB GLN A 28 -24.116 5.462 -18.704 1.00 24.13 C ATOM 415 CG GLN A 28 -25.630 5.500 -18.834 1.00 21.11 C ATOM 416 CD GLN A 28 -26.225 4.137 -19.122 1.00 32.23 C ATOM 417 OE1 GLN A 28 -25.601 3.107 -18.862 1.00 33.21 O ATOM 418 NE2 GLN A 28 -27.437 4.122 -19.663 1.00 74.54 N ATOM 0 H GLN A 28 -24.233 3.714 -20.641 1.00 12.25 H new ATOM 0 HA GLN A 28 -23.455 6.551 -20.436 1.00 52.41 H new ATOM 0 HB2 GLN A 28 -23.827 4.544 -18.192 1.00 24.13 H new ATOM 0 HB3 GLN A 28 -23.793 6.293 -18.077 1.00 24.13 H new ATOM 0 HG2 GLN A 28 -26.060 5.893 -17.913 1.00 21.11 H new ATOM 0 HG3 GLN A 28 -25.905 6.188 -19.633 1.00 21.11 H new ATOM 0 HE21 GLN A 28 -27.918 4.999 -19.862 1.00 74.54 H new ATOM 0 HE22 GLN A 28 -27.888 3.233 -19.880 1.00 74.54 H new ATOM 427 N TYR A 29 -21.281 5.838 -18.876 1.00 63.43 N ATOM 428 CA TYR A 29 -19.870 5.604 -18.591 1.00 64.11 C ATOM 429 C TYR A 29 -19.694 4.412 -17.655 1.00 31.32 C ATOM 430 O TYR A 29 -20.567 4.112 -16.841 1.00 32.15 O ATOM 431 CB TYR A 29 -19.241 6.852 -17.970 1.00 41.25 C ATOM 432 CG TYR A 29 -18.471 7.698 -18.958 1.00 5.13 C ATOM 433 CD1 TYR A 29 -17.188 7.340 -19.357 1.00 4.41 C ATOM 434 CD2 TYR A 29 -19.024 8.855 -19.492 1.00 32.40 C ATOM 435 CE1 TYR A 29 -16.480 8.111 -20.259 1.00 71.20 C ATOM 436 CE2 TYR A 29 -18.324 9.630 -20.397 1.00 50.21 C ATOM 437 CZ TYR A 29 -17.052 9.254 -20.777 1.00 61.14 C ATOM 438 OH TYR A 29 -16.351 10.025 -21.675 1.00 34.03 O ATOM 0 H TYR A 29 -21.726 6.526 -18.268 1.00 63.43 H new ATOM 0 HA TYR A 29 -19.367 5.381 -19.532 1.00 64.11 H new ATOM 0 HB2 TYR A 29 -20.027 7.459 -17.520 1.00 41.25 H new ATOM 0 HB3 TYR A 29 -18.572 6.549 -17.165 1.00 41.25 H new ATOM 0 HD1 TYR A 29 -16.737 6.444 -18.955 1.00 4.41 H new ATOM 0 HD2 TYR A 29 -20.018 9.154 -19.195 1.00 32.40 H new ATOM 0 HE1 TYR A 29 -15.484 7.820 -20.557 1.00 71.20 H new ATOM 0 HE2 TYR A 29 -18.770 10.525 -20.805 1.00 50.21 H new ATOM 0 HH TYR A 29 -16.962 10.654 -22.113 1.00 34.03 H new ATOM 448 N LYS A 30 -18.557 3.736 -17.779 1.00 41.25 N ATOM 449 CA LYS A 30 -18.262 2.577 -16.944 1.00 22.30 C ATOM 450 C LYS A 30 -16.760 2.433 -16.724 1.00 34.14 C ATOM 451 O LYS A 30 -15.960 3.108 -17.374 1.00 12.12 O ATOM 452 CB LYS A 30 -18.819 1.305 -17.586 1.00 34.32 C ATOM 453 CG LYS A 30 -19.771 0.536 -16.687 1.00 33.12 C ATOM 454 CD LYS A 30 -20.702 -0.356 -17.493 1.00 3.25 C ATOM 455 CE LYS A 30 -20.591 -1.811 -17.062 1.00 2.01 C ATOM 456 NZ LYS A 30 -19.201 -2.327 -17.205 1.00 60.15 N1+ ATOM 0 H LYS A 30 -17.825 3.970 -18.449 1.00 41.25 H new ATOM 0 HA LYS A 30 -18.740 2.727 -15.976 1.00 22.30 H new ATOM 0 HB2 LYS A 30 -19.337 1.570 -18.507 1.00 34.32 H new ATOM 0 HB3 LYS A 30 -17.989 0.655 -17.863 1.00 34.32 H new ATOM 0 HG2 LYS A 30 -19.199 -0.072 -15.986 1.00 33.12 H new ATOM 0 HG3 LYS A 30 -20.359 1.237 -16.095 1.00 33.12 H new ATOM 0 HD2 LYS A 30 -21.730 -0.016 -17.370 1.00 3.25 H new ATOM 0 HD3 LYS A 30 -20.463 -0.270 -18.553 1.00 3.25 H new ATOM 0 HE2 LYS A 30 -20.909 -1.908 -16.024 1.00 2.01 H new ATOM 0 HE3 LYS A 30 -21.268 -2.420 -17.661 1.00 2.01 H new ATOM 0 HZ1 LYS A 30 -19.227 -3.353 -17.371 1.00 60.15 H new ATOM 0 HZ2 LYS A 30 -18.738 -1.858 -18.009 1.00 60.15 H new ATOM 0 HZ3 LYS A 30 -18.666 -2.130 -16.335 1.00 60.15 H new ATOM 470 N LEU A 31 -16.382 1.548 -15.808 1.00 43.33 N ATOM 471 CA LEU A 31 -14.975 1.314 -15.505 1.00 12.43 C ATOM 472 C LEU A 31 -14.198 0.955 -16.767 1.00 31.33 C ATOM 473 O LEU A 31 -12.995 1.201 -16.861 1.00 1.44 O ATOM 474 CB LEU A 31 -14.835 0.195 -14.471 1.00 64.20 C ATOM 475 CG LEU A 31 -14.363 0.621 -13.080 1.00 5.02 C ATOM 476 CD1 LEU A 31 -15.355 1.588 -12.453 1.00 32.24 C ATOM 477 CD2 LEU A 31 -14.164 -0.595 -12.188 1.00 72.45 C ATOM 0 H LEU A 31 -17.031 0.981 -15.262 1.00 43.33 H new ATOM 0 HA LEU A 31 -14.560 2.234 -15.095 1.00 12.43 H new ATOM 0 HB2 LEU A 31 -15.800 -0.301 -14.369 1.00 64.20 H new ATOM 0 HB3 LEU A 31 -14.136 -0.545 -14.859 1.00 64.20 H new ATOM 0 HG LEU A 31 -13.405 1.131 -13.183 1.00 5.02 H new ATOM 0 HD11 LEU A 31 -15.003 1.880 -11.464 1.00 32.24 H new ATOM 0 HD12 LEU A 31 -15.447 2.474 -13.082 1.00 32.24 H new ATOM 0 HD13 LEU A 31 -16.328 1.104 -12.363 1.00 32.24 H new ATOM 0 HD21 LEU A 31 -13.828 -0.272 -11.203 1.00 72.45 H new ATOM 0 HD22 LEU A 31 -15.107 -1.134 -12.092 1.00 72.45 H new ATOM 0 HD23 LEU A 31 -13.414 -1.252 -12.630 1.00 72.45 H new ATOM 489 N LYS A 32 -14.894 0.375 -17.739 1.00 52.33 N ATOM 490 CA LYS A 32 -14.271 -0.015 -18.998 1.00 72.21 C ATOM 491 C LYS A 32 -13.507 1.153 -19.612 1.00 34.53 C ATOM 492 O LYS A 32 -12.470 0.964 -20.248 1.00 53.11 O ATOM 493 CB LYS A 32 -15.332 -0.518 -19.981 1.00 24.21 C ATOM 494 CG LYS A 32 -14.855 -1.663 -20.858 1.00 71.02 C ATOM 495 CD LYS A 32 -16.012 -2.328 -21.584 1.00 32.05 C ATOM 496 CE LYS A 32 -16.081 -3.816 -21.279 1.00 63.03 C ATOM 497 NZ LYS A 32 -17.374 -4.412 -21.712 1.00 72.53 N1+ ATOM 0 H LYS A 32 -15.890 0.165 -17.679 1.00 52.33 H new ATOM 0 HA LYS A 32 -13.565 -0.819 -18.792 1.00 72.21 H new ATOM 0 HB2 LYS A 32 -16.210 -0.841 -19.421 1.00 24.21 H new ATOM 0 HB3 LYS A 32 -15.647 0.309 -20.617 1.00 24.21 H new ATOM 0 HG2 LYS A 32 -14.134 -1.290 -21.585 1.00 71.02 H new ATOM 0 HG3 LYS A 32 -14.337 -2.400 -20.245 1.00 71.02 H new ATOM 0 HD2 LYS A 32 -16.948 -1.852 -21.292 1.00 32.05 H new ATOM 0 HD3 LYS A 32 -15.901 -2.181 -22.658 1.00 32.05 H new ATOM 0 HE2 LYS A 32 -15.259 -4.328 -21.780 1.00 63.03 H new ATOM 0 HE3 LYS A 32 -15.949 -3.974 -20.209 1.00 63.03 H new ATOM 0 HZ1 LYS A 32 -17.381 -5.427 -21.486 1.00 72.53 H new ATOM 0 HZ2 LYS A 32 -18.157 -3.941 -21.215 1.00 72.53 H new ATOM 0 HZ3 LYS A 32 -17.489 -4.285 -22.738 1.00 72.53 H new ATOM 511 N HIS A 33 -14.027 2.362 -19.418 1.00 11.33 N ATOM 512 CA HIS A 33 -13.392 3.562 -19.950 1.00 30.34 C ATOM 513 C HIS A 33 -12.265 4.031 -19.036 1.00 43.42 C ATOM 514 O HIS A 33 -11.294 4.574 -19.566 1.00 51.15 O ATOM 515 CB HIS A 33 -14.423 4.677 -20.122 1.00 44.35 C ATOM 516 CG HIS A 33 -15.686 4.228 -20.789 1.00 30.40 C ATOM 517 ND1 HIS A 33 -16.919 4.266 -20.172 1.00 20.44 N ATOM 518 CD2 HIS A 33 -15.903 3.728 -22.029 1.00 72.24 C ATOM 519 CE1 HIS A 33 -17.839 3.809 -21.004 1.00 42.13 C ATOM 520 NE2 HIS A 33 -17.248 3.477 -22.138 1.00 54.31 N ATOM 0 H HIS A 33 -14.886 2.536 -18.896 1.00 11.33 H new ATOM 0 HA HIS A 33 -12.968 3.317 -20.924 1.00 30.34 H new ATOM 0 HB2 HIS A 33 -14.666 5.090 -19.143 1.00 44.35 H new ATOM 0 HB3 HIS A 33 -13.980 5.483 -20.707 1.00 44.35 H new ATOM 0 HD2 HIS A 33 -15.156 3.558 -22.791 1.00 72.24 H new ATOM 0 HE1 HIS A 33 -18.895 3.722 -20.793 1.00 42.13 H new ATOM 0 HE2 HIS A 33 -17.715 3.096 -22.961 1.00 54.31 H new ATOM 528 N ILE A 34 -12.362 3.846 -17.724 1.00 54.35 N ATOM 529 CA ILE A 34 -11.311 4.276 -16.810 1.00 22.33 C ATOM 530 C ILE A 34 -10.074 3.394 -16.941 1.00 42.12 C ATOM 531 O ILE A 34 -8.944 3.873 -16.849 1.00 11.02 O ATOM 532 CB ILE A 34 -11.792 4.255 -15.348 1.00 50.11 C ATOM 533 CG1 ILE A 34 -13.139 4.967 -15.220 1.00 63.45 C ATOM 534 CG2 ILE A 34 -10.756 4.901 -14.440 1.00 50.34 C ATOM 535 CD1 ILE A 34 -13.715 4.926 -13.822 1.00 2.00 C ATOM 0 H ILE A 34 -13.159 3.400 -17.269 1.00 54.35 H new ATOM 0 HA ILE A 34 -11.055 5.300 -17.083 1.00 22.33 H new ATOM 0 HB ILE A 34 -11.921 3.218 -15.039 1.00 50.11 H new ATOM 0 HG12 ILE A 34 -13.021 6.007 -15.525 1.00 63.45 H new ATOM 0 HG13 ILE A 34 -13.849 4.511 -15.910 1.00 63.45 H new ATOM 0 HG21 ILE A 34 -11.111 4.878 -13.410 1.00 50.34 H new ATOM 0 HG22 ILE A 34 -9.817 4.353 -14.512 1.00 50.34 H new ATOM 0 HG23 ILE A 34 -10.598 5.935 -14.747 1.00 50.34 H new ATOM 0 HD11 ILE A 34 -14.670 5.450 -13.807 1.00 2.00 H new ATOM 0 HD12 ILE A 34 -13.865 3.889 -13.521 1.00 2.00 H new ATOM 0 HD13 ILE A 34 -13.025 5.409 -13.130 1.00 2.00 H new ATOM 547 N VAL A 35 -10.296 2.102 -17.156 1.00 74.23 N ATOM 548 CA VAL A 35 -9.200 1.151 -17.302 1.00 65.52 C ATOM 549 C VAL A 35 -8.550 1.270 -18.676 1.00 0.40 C ATOM 550 O VAL A 35 -7.326 1.222 -18.800 1.00 60.12 O ATOM 551 CB VAL A 35 -9.681 -0.297 -17.098 1.00 72.42 C ATOM 552 CG1 VAL A 35 -8.531 -1.274 -17.283 1.00 15.43 C ATOM 553 CG2 VAL A 35 -10.314 -0.459 -15.724 1.00 13.41 C ATOM 0 H VAL A 35 -11.225 1.689 -17.233 1.00 74.23 H new ATOM 0 HA VAL A 35 -8.467 1.393 -16.533 1.00 65.52 H new ATOM 0 HB VAL A 35 -10.438 -0.519 -17.850 1.00 72.42 H new ATOM 0 HG11 VAL A 35 -8.891 -2.292 -17.135 1.00 15.43 H new ATOM 0 HG12 VAL A 35 -8.128 -1.175 -18.291 1.00 15.43 H new ATOM 0 HG13 VAL A 35 -7.748 -1.057 -16.556 1.00 15.43 H new ATOM 0 HG21 VAL A 35 -10.648 -1.489 -15.597 1.00 13.41 H new ATOM 0 HG22 VAL A 35 -9.580 -0.218 -14.955 1.00 13.41 H new ATOM 0 HG23 VAL A 35 -11.167 0.213 -15.635 1.00 13.41 H new ATOM 563 N TRP A 36 -9.376 1.425 -19.704 1.00 21.31 N ATOM 564 CA TRP A 36 -8.880 1.551 -21.070 1.00 70.44 C ATOM 565 C TRP A 36 -7.915 2.725 -21.193 1.00 42.42 C ATOM 566 O TRP A 36 -6.862 2.611 -21.820 1.00 64.02 O ATOM 567 CB TRP A 36 -10.047 1.731 -22.043 1.00 24.02 C ATOM 568 CG TRP A 36 -9.610 1.959 -23.459 1.00 52.13 C ATOM 569 CD1 TRP A 36 -9.197 1.012 -24.351 1.00 15.04 C ATOM 570 CD2 TRP A 36 -9.542 3.215 -24.143 1.00 54.22 C ATOM 571 NE1 TRP A 36 -8.875 1.602 -25.549 1.00 24.21 N ATOM 572 CE2 TRP A 36 -9.079 2.953 -25.447 1.00 31.44 C ATOM 573 CE3 TRP A 36 -9.829 4.534 -23.781 1.00 12.03 C ATOM 574 CZ2 TRP A 36 -8.898 3.964 -26.388 1.00 11.55 C ATOM 575 CZ3 TRP A 36 -9.647 5.535 -24.717 1.00 42.34 C ATOM 576 CH2 TRP A 36 -9.186 5.245 -26.007 1.00 5.53 C ATOM 0 H TRP A 36 -10.392 1.466 -19.618 1.00 21.31 H new ATOM 0 HA TRP A 36 -8.343 0.636 -21.321 1.00 70.44 H new ATOM 0 HB2 TRP A 36 -10.683 0.846 -22.004 1.00 24.02 H new ATOM 0 HB3 TRP A 36 -10.655 2.575 -21.718 1.00 24.02 H new ATOM 0 HD1 TRP A 36 -9.133 -0.046 -24.145 1.00 15.04 H new ATOM 0 HE1 TRP A 36 -8.539 1.114 -26.379 1.00 24.21 H new ATOM 0 HE3 TRP A 36 -10.186 4.767 -22.789 1.00 12.03 H new ATOM 0 HZ2 TRP A 36 -8.543 3.744 -27.384 1.00 11.55 H new ATOM 0 HZ3 TRP A 36 -9.864 6.558 -24.449 1.00 42.34 H new ATOM 0 HH2 TRP A 36 -9.055 6.050 -26.715 1.00 5.53 H new ATOM 587 N ALA A 37 -8.279 3.851 -20.589 1.00 51.03 N ATOM 588 CA ALA A 37 -7.444 5.045 -20.630 1.00 11.53 C ATOM 589 C ALA A 37 -6.168 4.850 -19.816 1.00 54.15 C ATOM 590 O ALA A 37 -5.147 5.484 -20.081 1.00 62.44 O ATOM 591 CB ALA A 37 -8.219 6.250 -20.119 1.00 54.03 C ATOM 0 H ALA A 37 -9.147 3.961 -20.065 1.00 51.03 H new ATOM 0 HA ALA A 37 -7.160 5.224 -21.667 1.00 11.53 H new ATOM 0 HB1 ALA A 37 -7.583 7.134 -20.156 1.00 54.03 H new ATOM 0 HB2 ALA A 37 -9.098 6.409 -20.744 1.00 54.03 H new ATOM 0 HB3 ALA A 37 -8.533 6.071 -19.091 1.00 54.03 H new ATOM 597 N SER A 38 -6.235 3.968 -18.823 1.00 45.12 N ATOM 598 CA SER A 38 -5.088 3.694 -17.966 1.00 3.53 C ATOM 599 C SER A 38 -3.993 2.966 -18.741 1.00 35.02 C ATOM 600 O SER A 38 -2.812 3.291 -18.623 1.00 3.21 O ATOM 601 CB SER A 38 -5.514 2.858 -16.758 1.00 45.40 C ATOM 602 OG SER A 38 -6.475 3.545 -15.977 1.00 62.44 O ATOM 0 H SER A 38 -7.071 3.432 -18.593 1.00 45.12 H new ATOM 0 HA SER A 38 -4.691 4.647 -17.617 1.00 3.53 H new ATOM 0 HB2 SER A 38 -5.928 1.908 -17.097 1.00 45.40 H new ATOM 0 HB3 SER A 38 -4.642 2.626 -16.146 1.00 45.40 H new ATOM 0 HG SER A 38 -7.375 3.319 -16.292 1.00 62.44 H new ATOM 608 N ARG A 39 -4.396 1.979 -19.536 1.00 40.52 N ATOM 609 CA ARG A 39 -3.451 1.203 -20.330 1.00 45.04 C ATOM 610 C ARG A 39 -2.837 2.060 -21.432 1.00 3.12 C ATOM 611 O ARG A 39 -1.636 1.987 -21.691 1.00 13.32 O ATOM 612 CB ARG A 39 -4.146 -0.014 -20.942 1.00 63.13 C ATOM 613 CG ARG A 39 -3.512 -1.339 -20.551 1.00 44.14 C ATOM 614 CD ARG A 39 -3.347 -2.254 -21.753 1.00 11.42 C ATOM 615 NE ARG A 39 -4.526 -3.088 -21.973 1.00 53.10 N ATOM 616 CZ ARG A 39 -4.743 -3.775 -23.089 1.00 3.52 C ATOM 617 NH1 ARG A 39 -3.864 -3.729 -24.081 1.00 40.11 N1+ ATOM 618 NH2 ARG A 39 -5.839 -4.511 -23.214 1.00 20.23 N ATOM 0 H ARG A 39 -5.370 1.698 -19.647 1.00 40.52 H new ATOM 0 HA ARG A 39 -2.653 0.863 -19.671 1.00 45.04 H new ATOM 0 HB2 ARG A 39 -5.192 -0.017 -20.635 1.00 63.13 H new ATOM 0 HB3 ARG A 39 -4.133 0.079 -22.028 1.00 63.13 H new ATOM 0 HG2 ARG A 39 -2.539 -1.157 -20.095 1.00 44.14 H new ATOM 0 HG3 ARG A 39 -4.130 -1.831 -19.800 1.00 44.14 H new ATOM 0 HD2 ARG A 39 -3.157 -1.653 -22.642 1.00 11.42 H new ATOM 0 HD3 ARG A 39 -2.475 -2.891 -21.606 1.00 11.42 H new ATOM 0 HE ARG A 39 -5.221 -3.146 -21.229 1.00 53.10 H new ATOM 0 HH11 ARG A 39 -3.019 -3.165 -23.988 1.00 40.11 H new ATOM 0 HH12 ARG A 39 -4.033 -4.257 -24.937 1.00 40.11 H new ATOM 0 HH21 ARG A 39 -6.517 -4.550 -22.453 1.00 20.23 H new ATOM 0 HH22 ARG A 39 -6.004 -5.038 -24.072 1.00 20.23 H new ATOM 632 N GLU A 40 -3.669 2.870 -22.078 1.00 24.42 N ATOM 633 CA GLU A 40 -3.206 3.740 -23.154 1.00 11.10 C ATOM 634 C GLU A 40 -2.348 4.876 -22.605 1.00 23.31 C ATOM 635 O GLU A 40 -1.493 5.419 -23.305 1.00 32.44 O ATOM 636 CB GLU A 40 -4.397 4.312 -23.925 1.00 5.04 C ATOM 637 CG GLU A 40 -4.166 4.401 -25.424 1.00 25.13 C ATOM 638 CD GLU A 40 -4.357 3.070 -26.124 1.00 71.51 C ATOM 639 OE1 GLU A 40 -5.236 2.294 -25.694 1.00 32.22 O1- ATOM 640 OE2 GLU A 40 -3.628 2.804 -27.102 1.00 25.25 O ATOM 0 H GLU A 40 -4.666 2.942 -21.876 1.00 24.42 H new ATOM 0 HA GLU A 40 -2.596 3.143 -23.832 1.00 11.10 H new ATOM 0 HB2 GLU A 40 -5.273 3.691 -23.737 1.00 5.04 H new ATOM 0 HB3 GLU A 40 -4.624 5.307 -23.541 1.00 5.04 H new ATOM 0 HG2 GLU A 40 -4.852 5.133 -25.851 1.00 25.13 H new ATOM 0 HG3 GLU A 40 -3.155 4.764 -25.611 1.00 25.13 H new ATOM 647 N LEU A 41 -2.583 5.232 -21.347 1.00 15.43 N ATOM 648 CA LEU A 41 -1.833 6.304 -20.701 1.00 0.34 C ATOM 649 C LEU A 41 -0.375 5.903 -20.499 1.00 54.41 C ATOM 650 O LEU A 41 0.536 6.601 -20.940 1.00 0.43 O ATOM 651 CB LEU A 41 -2.468 6.658 -19.355 1.00 24.54 C ATOM 652 CG LEU A 41 -3.441 7.839 -19.364 1.00 74.25 C ATOM 653 CD1 LEU A 41 -4.039 8.046 -17.981 1.00 51.24 C ATOM 654 CD2 LEU A 41 -2.743 9.104 -19.840 1.00 12.54 C ATOM 0 H LEU A 41 -3.287 4.794 -20.753 1.00 15.43 H new ATOM 0 HA LEU A 41 -1.863 7.178 -21.351 1.00 0.34 H new ATOM 0 HB2 LEU A 41 -2.996 5.780 -18.982 1.00 24.54 H new ATOM 0 HB3 LEU A 41 -1.670 6.875 -18.645 1.00 24.54 H new ATOM 0 HG LEU A 41 -4.250 7.613 -20.059 1.00 74.25 H new ATOM 0 HD11 LEU A 41 -4.729 8.890 -18.005 1.00 51.24 H new ATOM 0 HD12 LEU A 41 -4.576 7.147 -17.679 1.00 51.24 H new ATOM 0 HD13 LEU A 41 -3.241 8.250 -17.267 1.00 51.24 H new ATOM 0 HD21 LEU A 41 -3.451 9.933 -19.839 1.00 12.54 H new ATOM 0 HD22 LEU A 41 -1.913 9.335 -19.172 1.00 12.54 H new ATOM 0 HD23 LEU A 41 -2.363 8.952 -20.850 1.00 12.54 H new ATOM 666 N GLU A 42 -0.165 4.774 -19.830 1.00 10.24 N ATOM 667 CA GLU A 42 1.183 4.280 -19.570 1.00 73.44 C ATOM 668 C GLU A 42 1.973 4.149 -20.869 1.00 12.41 C ATOM 669 O GLU A 42 3.201 4.236 -20.872 1.00 51.32 O ATOM 670 CB GLU A 42 1.126 2.927 -18.856 1.00 31.32 C ATOM 671 CG GLU A 42 1.727 2.950 -17.462 1.00 2.31 C ATOM 672 CD GLU A 42 1.090 1.933 -16.535 1.00 54.30 C ATOM 673 OE1 GLU A 42 0.244 1.147 -17.010 1.00 60.42 O ATOM 674 OE2 GLU A 42 1.438 1.921 -15.335 1.00 25.32 O1- ATOM 0 H GLU A 42 -0.910 4.184 -19.458 1.00 10.24 H new ATOM 0 HA GLU A 42 1.689 5.000 -18.927 1.00 73.44 H new ATOM 0 HB2 GLU A 42 0.087 2.604 -18.789 1.00 31.32 H new ATOM 0 HB3 GLU A 42 1.652 2.186 -19.457 1.00 31.32 H new ATOM 0 HG2 GLU A 42 2.797 2.755 -17.529 1.00 2.31 H new ATOM 0 HG3 GLU A 42 1.611 3.947 -17.037 1.00 2.31 H new ATOM 681 N ARG A 43 1.260 3.939 -21.970 1.00 33.11 N ATOM 682 CA ARG A 43 1.894 3.794 -23.275 1.00 3.32 C ATOM 683 C ARG A 43 2.519 5.111 -23.725 1.00 24.45 C ATOM 684 O ARG A 43 3.503 5.123 -24.466 1.00 0.32 O ATOM 685 CB ARG A 43 0.875 3.321 -24.312 1.00 72.03 C ATOM 686 CG ARG A 43 1.504 2.680 -25.537 1.00 23.55 C ATOM 687 CD ARG A 43 1.325 1.170 -25.532 1.00 75.01 C ATOM 688 NE ARG A 43 2.384 0.495 -24.787 1.00 25.31 N ATOM 689 CZ ARG A 43 2.549 -0.822 -24.775 1.00 54.23 C ATOM 690 NH1 ARG A 43 1.728 -1.604 -25.463 1.00 20.43 N1+ ATOM 691 NH2 ARG A 43 3.537 -1.362 -24.073 1.00 30.00 N ATOM 0 H ARG A 43 0.243 3.865 -21.985 1.00 33.11 H new ATOM 0 HA ARG A 43 2.684 3.048 -23.186 1.00 3.32 H new ATOM 0 HB2 ARG A 43 0.199 2.605 -23.844 1.00 72.03 H new ATOM 0 HB3 ARG A 43 0.270 4.171 -24.628 1.00 72.03 H new ATOM 0 HG2 ARG A 43 1.055 3.097 -26.438 1.00 23.55 H new ATOM 0 HG3 ARG A 43 2.567 2.921 -25.570 1.00 23.55 H new ATOM 0 HD2 ARG A 43 0.359 0.921 -25.094 1.00 75.01 H new ATOM 0 HD3 ARG A 43 1.314 0.803 -26.558 1.00 75.01 H new ATOM 0 HE ARG A 43 3.033 1.067 -24.246 1.00 25.31 H new ATOM 0 HH11 ARG A 43 0.967 -1.194 -26.004 1.00 20.43 H new ATOM 0 HH12 ARG A 43 1.858 -2.616 -25.451 1.00 20.43 H new ATOM 0 HH21 ARG A 43 4.171 -0.765 -23.542 1.00 30.00 H new ATOM 0 HH22 ARG A 43 3.663 -2.374 -24.065 1.00 30.00 H new ATOM 705 N PHE A 44 1.941 6.219 -23.273 1.00 22.20 N ATOM 706 CA PHE A 44 2.440 7.542 -23.630 1.00 32.13 C ATOM 707 C PHE A 44 3.372 8.083 -22.549 1.00 33.41 C ATOM 708 O PHE A 44 3.495 9.294 -22.370 1.00 14.21 O ATOM 709 CB PHE A 44 1.274 8.510 -23.845 1.00 54.24 C ATOM 710 CG PHE A 44 0.366 8.113 -24.974 1.00 44.42 C ATOM 711 CD1 PHE A 44 0.862 7.961 -26.259 1.00 10.32 C ATOM 712 CD2 PHE A 44 -0.984 7.894 -24.751 1.00 33.32 C ATOM 713 CE1 PHE A 44 0.029 7.596 -27.300 1.00 11.44 C ATOM 714 CE2 PHE A 44 -1.821 7.528 -25.788 1.00 25.12 C ATOM 715 CZ PHE A 44 -1.314 7.380 -27.065 1.00 4.51 C ATOM 0 H PHE A 44 1.127 6.227 -22.659 1.00 22.20 H new ATOM 0 HA PHE A 44 3.004 7.451 -24.558 1.00 32.13 H new ATOM 0 HB2 PHE A 44 0.691 8.574 -22.926 1.00 54.24 H new ATOM 0 HB3 PHE A 44 1.671 9.506 -24.041 1.00 54.24 H new ATOM 0 HD1 PHE A 44 1.912 8.130 -26.449 1.00 10.32 H new ATOM 0 HD2 PHE A 44 -1.387 8.011 -23.756 1.00 33.32 H new ATOM 0 HE1 PHE A 44 0.429 7.480 -28.297 1.00 11.44 H new ATOM 0 HE2 PHE A 44 -2.871 7.358 -25.600 1.00 25.12 H new ATOM 0 HZ PHE A 44 -1.967 7.096 -27.877 1.00 4.51 H new ATOM 725 N ALA A 45 4.024 7.174 -21.831 1.00 2.42 N ATOM 726 CA ALA A 45 4.945 7.558 -20.769 1.00 5.31 C ATOM 727 C ALA A 45 4.213 8.279 -19.642 1.00 52.44 C ATOM 728 O ALA A 45 4.820 9.017 -18.866 1.00 3.53 O ATOM 729 CB ALA A 45 6.056 8.436 -21.326 1.00 42.01 C ATOM 0 H ALA A 45 3.931 6.167 -21.966 1.00 2.42 H new ATOM 0 HA ALA A 45 5.386 6.650 -20.358 1.00 5.31 H new ATOM 0 HB1 ALA A 45 6.737 8.715 -20.522 1.00 42.01 H new ATOM 0 HB2 ALA A 45 6.605 7.887 -22.091 1.00 42.01 H new ATOM 0 HB3 ALA A 45 5.624 9.335 -21.764 1.00 42.01 H new ATOM 735 N VAL A 46 2.905 8.062 -19.558 1.00 53.41 N ATOM 736 CA VAL A 46 2.090 8.690 -18.525 1.00 50.15 C ATOM 737 C VAL A 46 1.449 7.645 -17.619 1.00 35.23 C ATOM 738 O VAL A 46 0.617 6.852 -18.060 1.00 5.14 O ATOM 739 CB VAL A 46 0.984 9.569 -19.140 1.00 51.22 C ATOM 740 CG1 VAL A 46 0.121 10.182 -18.048 1.00 31.22 C ATOM 741 CG2 VAL A 46 1.591 10.649 -20.022 1.00 43.43 C ATOM 0 H VAL A 46 2.386 7.456 -20.193 1.00 53.41 H new ATOM 0 HA VAL A 46 2.757 9.318 -17.934 1.00 50.15 H new ATOM 0 HB VAL A 46 0.347 8.940 -19.762 1.00 51.22 H new ATOM 0 HG11 VAL A 46 -0.655 10.800 -18.501 1.00 31.22 H new ATOM 0 HG12 VAL A 46 -0.343 9.388 -17.462 1.00 31.22 H new ATOM 0 HG13 VAL A 46 0.741 10.798 -17.397 1.00 31.22 H new ATOM 0 HG21 VAL A 46 0.796 11.260 -20.448 1.00 43.43 H new ATOM 0 HG22 VAL A 46 2.252 11.278 -19.425 1.00 43.43 H new ATOM 0 HG23 VAL A 46 2.162 10.184 -20.826 1.00 43.43 H new ATOM 751 N ASN A 47 1.841 7.650 -16.349 1.00 30.40 N ATOM 752 CA ASN A 47 1.305 6.701 -15.379 1.00 62.40 C ATOM 753 C ASN A 47 -0.197 6.901 -15.197 1.00 75.23 C ATOM 754 O ASN A 47 -0.711 8.019 -15.248 1.00 41.34 O ATOM 755 CB ASN A 47 2.018 6.856 -14.035 1.00 63.21 C ATOM 756 CG ASN A 47 3.019 5.746 -13.780 1.00 60.22 C ATOM 757 OD1 ASN A 47 2.821 4.907 -12.900 1.00 21.23 O ATOM 758 ND2 ASN A 47 4.100 5.736 -14.551 1.00 35.12 N ATOM 0 H ASN A 47 2.528 8.300 -15.967 1.00 30.40 H new ATOM 0 HA ASN A 47 1.477 5.694 -15.759 1.00 62.40 H new ATOM 0 HB2 ASN A 47 2.531 7.817 -14.008 1.00 63.21 H new ATOM 0 HB3 ASN A 47 1.279 6.866 -13.234 1.00 63.21 H new ATOM 0 HD21 ASN A 47 4.808 5.013 -14.427 1.00 35.12 H new ATOM 0 HD22 ASN A 47 4.222 6.452 -15.268 1.00 35.12 H new ATOM 765 N PRO A 48 -0.920 5.792 -14.980 1.00 42.41 N ATOM 766 CA PRO A 48 -2.372 5.819 -14.784 1.00 21.31 C ATOM 767 C PRO A 48 -2.767 6.454 -13.455 1.00 22.34 C ATOM 768 O PRO A 48 -3.931 6.781 -13.234 1.00 73.12 O ATOM 769 CB PRO A 48 -2.760 4.338 -14.806 1.00 10.42 C ATOM 770 CG PRO A 48 -1.527 3.617 -14.382 1.00 23.04 C ATOM 771 CD PRO A 48 -0.373 4.427 -14.908 1.00 74.11 C ATOM 0 HA PRO A 48 -2.875 6.417 -15.544 1.00 21.31 H new ATOM 0 HB2 PRO A 48 -3.590 4.136 -14.128 1.00 10.42 H new ATOM 0 HB3 PRO A 48 -3.078 4.027 -15.801 1.00 10.42 H new ATOM 0 HG2 PRO A 48 -1.480 3.529 -13.297 1.00 23.04 H new ATOM 0 HG3 PRO A 48 -1.509 2.604 -14.785 1.00 23.04 H new ATOM 0 HD2 PRO A 48 0.490 4.374 -14.245 1.00 74.11 H new ATOM 0 HD3 PRO A 48 -0.046 4.073 -15.886 1.00 74.11 H new ATOM 779 N GLY A 49 -1.786 6.627 -12.574 1.00 60.35 N ATOM 780 CA GLY A 49 -2.052 7.224 -11.277 1.00 61.32 C ATOM 781 C GLY A 49 -2.497 8.669 -11.384 1.00 33.54 C ATOM 782 O GLY A 49 -3.038 9.232 -10.432 1.00 52.54 O ATOM 0 H GLY A 49 -0.813 6.365 -12.734 1.00 60.35 H new ATOM 0 HA2 GLY A 49 -2.823 6.647 -10.766 1.00 61.32 H new ATOM 0 HA3 GLY A 49 -1.153 7.169 -10.664 1.00 61.32 H new ATOM 786 N LEU A 50 -2.267 9.272 -12.546 1.00 43.42 N ATOM 787 CA LEU A 50 -2.646 10.662 -12.773 1.00 43.23 C ATOM 788 C LEU A 50 -4.155 10.792 -12.957 1.00 65.01 C ATOM 789 O LEU A 50 -4.732 11.853 -12.713 1.00 31.21 O ATOM 790 CB LEU A 50 -1.922 11.215 -14.002 1.00 11.00 C ATOM 791 CG LEU A 50 -0.400 11.062 -14.009 1.00 61.42 C ATOM 792 CD1 LEU A 50 0.196 11.720 -15.244 1.00 43.44 C ATOM 793 CD2 LEU A 50 0.201 11.654 -12.743 1.00 22.52 C ATOM 0 H LEU A 50 -1.821 8.820 -13.344 1.00 43.42 H new ATOM 0 HA LEU A 50 -2.354 11.240 -11.896 1.00 43.23 H new ATOM 0 HB2 LEU A 50 -2.321 10.720 -14.887 1.00 11.00 H new ATOM 0 HB3 LEU A 50 -2.161 12.274 -14.094 1.00 11.00 H new ATOM 0 HG LEU A 50 -0.160 9.999 -14.038 1.00 61.42 H new ATOM 0 HD11 LEU A 50 1.279 11.601 -15.232 1.00 43.44 H new ATOM 0 HD12 LEU A 50 -0.211 11.250 -16.139 1.00 43.44 H new ATOM 0 HD13 LEU A 50 -0.053 12.781 -15.247 1.00 43.44 H new ATOM 0 HD21 LEU A 50 1.284 11.536 -12.765 1.00 22.52 H new ATOM 0 HD22 LEU A 50 -0.048 12.714 -12.683 1.00 22.52 H new ATOM 0 HD23 LEU A 50 -0.202 11.137 -11.872 1.00 22.52 H new ATOM 805 N LEU A 51 -4.788 9.707 -13.386 1.00 75.44 N ATOM 806 CA LEU A 51 -6.232 9.698 -13.600 1.00 54.04 C ATOM 807 C LEU A 51 -6.977 9.971 -12.298 1.00 72.03 C ATOM 808 O LEU A 51 -8.110 10.454 -12.310 1.00 55.41 O ATOM 809 CB LEU A 51 -6.672 8.353 -14.181 1.00 53.02 C ATOM 810 CG LEU A 51 -6.388 8.138 -15.668 1.00 0.53 C ATOM 811 CD1 LEU A 51 -6.095 6.672 -15.949 1.00 4.14 C ATOM 812 CD2 LEU A 51 -7.560 8.620 -16.511 1.00 41.30 C ATOM 0 H LEU A 51 -4.325 8.822 -13.593 1.00 75.44 H new ATOM 0 HA LEU A 51 -6.475 10.490 -14.308 1.00 54.04 H new ATOM 0 HB2 LEU A 51 -6.180 7.559 -13.619 1.00 53.02 H new ATOM 0 HB3 LEU A 51 -7.744 8.242 -14.017 1.00 53.02 H new ATOM 0 HG LEU A 51 -5.508 8.722 -15.938 1.00 0.53 H new ATOM 0 HD11 LEU A 51 -5.895 6.538 -17.012 1.00 4.14 H new ATOM 0 HD12 LEU A 51 -5.224 6.358 -15.374 1.00 4.14 H new ATOM 0 HD13 LEU A 51 -6.956 6.068 -15.663 1.00 4.14 H new ATOM 0 HD21 LEU A 51 -7.340 8.459 -17.566 1.00 41.30 H new ATOM 0 HD22 LEU A 51 -8.457 8.064 -16.239 1.00 41.30 H new ATOM 0 HD23 LEU A 51 -7.724 9.683 -16.333 1.00 41.30 H new ATOM 824 N GLU A 52 -6.334 9.662 -11.177 1.00 12.23 N ATOM 825 CA GLU A 52 -6.936 9.875 -9.866 1.00 63.12 C ATOM 826 C GLU A 52 -6.402 11.153 -9.224 1.00 74.10 C ATOM 827 O GLU A 52 -6.396 11.290 -8.000 1.00 4.31 O ATOM 828 CB GLU A 52 -6.662 8.679 -8.953 1.00 13.23 C ATOM 829 CG GLU A 52 -5.189 8.475 -8.642 1.00 24.41 C ATOM 830 CD GLU A 52 -4.949 8.045 -7.208 1.00 61.22 C ATOM 831 OE1 GLU A 52 -5.689 7.165 -6.722 1.00 71.13 O ATOM 832 OE2 GLU A 52 -4.021 8.589 -6.572 1.00 74.53 O1- ATOM 0 H GLU A 52 -5.396 9.263 -11.150 1.00 12.23 H new ATOM 0 HA GLU A 52 -8.013 9.979 -10.001 1.00 63.12 H new ATOM 0 HB2 GLU A 52 -7.207 8.814 -8.018 1.00 13.23 H new ATOM 0 HB3 GLU A 52 -7.054 7.777 -9.423 1.00 13.23 H new ATOM 0 HG2 GLU A 52 -4.780 7.722 -9.316 1.00 24.41 H new ATOM 0 HG3 GLU A 52 -4.649 9.402 -8.834 1.00 24.41 H new ATOM 839 N THR A 53 -5.955 12.085 -10.059 1.00 5.35 N ATOM 840 CA THR A 53 -5.417 13.350 -9.574 1.00 40.30 C ATOM 841 C THR A 53 -5.983 14.526 -10.362 1.00 23.04 C ATOM 842 O THR A 53 -5.858 14.584 -11.585 1.00 1.31 O ATOM 843 CB THR A 53 -3.879 13.379 -9.665 1.00 43.55 C ATOM 844 OG1 THR A 53 -3.471 13.511 -11.030 1.00 23.33 O ATOM 845 CG2 THR A 53 -3.279 12.114 -9.071 1.00 2.23 C ATOM 0 H THR A 53 -5.955 11.988 -11.074 1.00 5.35 H new ATOM 0 HA THR A 53 -5.713 13.439 -8.529 1.00 40.30 H new ATOM 0 HB THR A 53 -3.519 14.236 -9.095 1.00 43.55 H new ATOM 0 HG1 THR A 53 -4.057 12.971 -11.600 1.00 23.33 H new ATOM 0 HG21 THR A 53 -2.192 12.157 -9.146 1.00 2.23 H new ATOM 0 HG22 THR A 53 -3.567 12.032 -8.023 1.00 2.23 H new ATOM 0 HG23 THR A 53 -3.647 11.246 -9.617 1.00 2.23 H new ATOM 853 N SER A 54 -6.605 15.463 -9.653 1.00 71.13 N ATOM 854 CA SER A 54 -7.193 16.637 -10.288 1.00 62.24 C ATOM 855 C SER A 54 -6.140 17.416 -11.069 1.00 61.31 C ATOM 856 O SER A 54 -6.465 18.163 -11.992 1.00 31.41 O ATOM 857 CB SER A 54 -7.838 17.542 -9.236 1.00 11.40 C ATOM 858 OG SER A 54 -6.866 18.347 -8.591 1.00 1.53 O ATOM 0 H SER A 54 -6.715 15.432 -8.639 1.00 71.13 H new ATOM 0 HA SER A 54 -7.960 16.298 -10.985 1.00 62.24 H new ATOM 0 HB2 SER A 54 -8.586 18.178 -9.709 1.00 11.40 H new ATOM 0 HB3 SER A 54 -8.358 16.933 -8.497 1.00 11.40 H new ATOM 0 HG SER A 54 -7.303 18.917 -7.925 1.00 1.53 H new ATOM 864 N GLU A 55 -4.878 17.237 -10.693 1.00 51.42 N ATOM 865 CA GLU A 55 -3.778 17.924 -11.358 1.00 71.00 C ATOM 866 C GLU A 55 -3.329 17.158 -12.600 1.00 63.54 C ATOM 867 O GLU A 55 -3.109 17.746 -13.658 1.00 41.24 O ATOM 868 CB GLU A 55 -2.599 18.094 -10.397 1.00 22.21 C ATOM 869 CG GLU A 55 -1.662 19.228 -10.779 1.00 63.21 C ATOM 870 CD GLU A 55 -0.340 19.166 -10.040 1.00 42.42 C ATOM 871 OE1 GLU A 55 -0.320 19.476 -8.830 1.00 4.23 O1- ATOM 872 OE2 GLU A 55 0.677 18.807 -10.671 1.00 73.44 O ATOM 0 H GLU A 55 -4.592 16.622 -9.931 1.00 51.42 H new ATOM 0 HA GLU A 55 -4.131 18.908 -11.667 1.00 71.00 H new ATOM 0 HB2 GLU A 55 -2.983 18.273 -9.393 1.00 22.21 H new ATOM 0 HB3 GLU A 55 -2.033 17.163 -10.361 1.00 22.21 H new ATOM 0 HG2 GLU A 55 -1.476 19.195 -11.852 1.00 63.21 H new ATOM 0 HG3 GLU A 55 -2.147 20.181 -10.569 1.00 63.21 H new ATOM 879 N GLY A 56 -3.197 15.843 -12.462 1.00 52.13 N ATOM 880 CA GLY A 56 -2.775 15.019 -13.579 1.00 51.01 C ATOM 881 C GLY A 56 -3.657 15.200 -14.798 1.00 75.14 C ATOM 882 O GLY A 56 -3.163 15.444 -15.899 1.00 22.21 O ATOM 0 H GLY A 56 -3.375 15.333 -11.597 1.00 52.13 H new ATOM 0 HA2 GLY A 56 -1.746 15.265 -13.839 1.00 51.01 H new ATOM 0 HA3 GLY A 56 -2.786 13.971 -13.278 1.00 51.01 H new ATOM 886 N CYS A 57 -4.966 15.078 -14.603 1.00 43.21 N ATOM 887 CA CYS A 57 -5.919 15.227 -15.697 1.00 33.03 C ATOM 888 C CYS A 57 -5.684 16.534 -16.449 1.00 13.43 C ATOM 889 O CYS A 57 -5.682 16.560 -17.679 1.00 4.13 O ATOM 890 CB CYS A 57 -7.352 15.183 -15.162 1.00 11.33 C ATOM 891 SG CYS A 57 -8.240 13.658 -15.556 1.00 24.35 S ATOM 0 H CYS A 57 -5.391 14.876 -13.698 1.00 43.21 H new ATOM 0 HA CYS A 57 -5.772 14.399 -16.390 1.00 33.03 H new ATOM 0 HB2 CYS A 57 -7.328 15.308 -14.079 1.00 11.33 H new ATOM 0 HB3 CYS A 57 -7.906 16.029 -15.568 1.00 11.33 H new ATOM 0 HG CYS A 57 -9.107 13.891 -16.496 1.00 24.35 H new ATOM 897 N ARG A 58 -5.488 17.614 -15.700 1.00 32.14 N ATOM 898 CA ARG A 58 -5.255 18.924 -16.295 1.00 70.40 C ATOM 899 C ARG A 58 -4.067 18.883 -17.252 1.00 3.34 C ATOM 900 O ARG A 58 -4.066 19.552 -18.285 1.00 42.51 O ATOM 901 CB ARG A 58 -5.009 19.968 -15.204 1.00 32.31 C ATOM 902 CG ARG A 58 -5.455 21.368 -15.590 1.00 1.00 C ATOM 903 CD ARG A 58 -4.393 22.403 -15.252 1.00 21.43 C ATOM 904 NE ARG A 58 -4.917 23.765 -15.316 1.00 43.51 N ATOM 905 CZ ARG A 58 -4.158 24.851 -15.206 1.00 15.22 C ATOM 906 NH1 ARG A 58 -2.849 24.733 -15.031 1.00 35.13 N1+ ATOM 907 NH2 ARG A 58 -4.708 26.056 -15.273 1.00 32.23 N ATOM 0 H ARG A 58 -5.486 17.608 -14.680 1.00 32.14 H new ATOM 0 HA ARG A 58 -6.145 19.202 -16.859 1.00 70.40 H new ATOM 0 HB2 ARG A 58 -5.534 19.665 -14.298 1.00 32.31 H new ATOM 0 HB3 ARG A 58 -3.946 19.988 -14.965 1.00 32.31 H new ATOM 0 HG2 ARG A 58 -5.670 21.401 -16.658 1.00 1.00 H new ATOM 0 HG3 ARG A 58 -6.381 21.612 -15.070 1.00 1.00 H new ATOM 0 HD2 ARG A 58 -4.004 22.211 -14.252 1.00 21.43 H new ATOM 0 HD3 ARG A 58 -3.556 22.303 -15.944 1.00 21.43 H new ATOM 0 HE ARG A 58 -5.920 23.890 -15.453 1.00 43.51 H new ATOM 0 HH11 ARG A 58 -2.423 23.808 -14.981 1.00 35.13 H new ATOM 0 HH12 ARG A 58 -2.268 25.567 -14.947 1.00 35.13 H new ATOM 0 HH21 ARG A 58 -5.714 26.150 -15.409 1.00 32.23 H new ATOM 0 HH22 ARG A 58 -4.125 26.888 -15.188 1.00 32.23 H new ATOM 921 N GLN A 59 -3.056 18.094 -16.899 1.00 52.22 N ATOM 922 CA GLN A 59 -1.862 17.967 -17.725 1.00 51.44 C ATOM 923 C GLN A 59 -2.115 17.041 -18.909 1.00 55.01 C ATOM 924 O GLN A 59 -1.723 17.339 -20.038 1.00 44.11 O ATOM 925 CB GLN A 59 -0.693 17.440 -16.891 1.00 52.32 C ATOM 926 CG GLN A 59 0.348 18.499 -16.563 1.00 33.33 C ATOM 927 CD GLN A 59 1.228 18.108 -15.392 1.00 25.22 C ATOM 928 OE1 GLN A 59 0.829 17.321 -14.535 1.00 73.23 O ATOM 929 NE2 GLN A 59 2.436 18.660 -15.351 1.00 64.04 N ATOM 0 H GLN A 59 -3.041 17.534 -16.047 1.00 52.22 H new ATOM 0 HA GLN A 59 -1.609 18.956 -18.108 1.00 51.44 H new ATOM 0 HB2 GLN A 59 -1.080 17.023 -15.961 1.00 52.32 H new ATOM 0 HB3 GLN A 59 -0.212 16.624 -17.430 1.00 52.32 H new ATOM 0 HG2 GLN A 59 0.972 18.674 -17.439 1.00 33.33 H new ATOM 0 HG3 GLN A 59 -0.154 19.440 -16.337 1.00 33.33 H new ATOM 0 HE21 GLN A 59 2.726 19.308 -16.084 1.00 64.04 H new ATOM 0 HE22 GLN A 59 3.074 18.436 -14.587 1.00 64.04 H new ATOM 938 N ILE A 60 -2.772 15.916 -18.646 1.00 44.25 N ATOM 939 CA ILE A 60 -3.078 14.947 -19.691 1.00 41.12 C ATOM 940 C ILE A 60 -3.912 15.579 -20.800 1.00 42.22 C ATOM 941 O ILE A 60 -3.726 15.278 -21.979 1.00 1.01 O ATOM 942 CB ILE A 60 -3.833 13.730 -19.126 1.00 74.22 C ATOM 943 CG1 ILE A 60 -3.007 13.052 -18.031 1.00 62.33 C ATOM 944 CG2 ILE A 60 -4.157 12.744 -20.239 1.00 61.21 C ATOM 945 CD1 ILE A 60 -3.820 12.142 -17.137 1.00 41.03 C ATOM 0 H ILE A 60 -3.103 15.653 -17.718 1.00 44.25 H new ATOM 0 HA ILE A 60 -2.125 14.614 -20.102 1.00 41.12 H new ATOM 0 HB ILE A 60 -4.770 14.074 -18.688 1.00 74.22 H new ATOM 0 HG12 ILE A 60 -2.209 12.473 -18.495 1.00 62.33 H new ATOM 0 HG13 ILE A 60 -2.531 13.818 -17.419 1.00 62.33 H new ATOM 0 HG21 ILE A 60 -4.691 11.889 -19.824 1.00 61.21 H new ATOM 0 HG22 ILE A 60 -4.781 13.232 -20.988 1.00 61.21 H new ATOM 0 HG23 ILE A 60 -3.232 12.403 -20.704 1.00 61.21 H new ATOM 0 HD11 ILE A 60 -3.170 11.696 -16.384 1.00 41.03 H new ATOM 0 HD12 ILE A 60 -4.602 12.720 -16.644 1.00 41.03 H new ATOM 0 HD13 ILE A 60 -4.275 11.354 -17.737 1.00 41.03 H new ATOM 957 N LEU A 61 -4.829 16.459 -20.414 1.00 40.55 N ATOM 958 CA LEU A 61 -5.691 17.137 -21.375 1.00 31.30 C ATOM 959 C LEU A 61 -4.941 18.261 -22.082 1.00 11.23 C ATOM 960 O LEU A 61 -5.272 18.630 -23.208 1.00 33.43 O ATOM 961 CB LEU A 61 -6.929 17.698 -20.674 1.00 62.14 C ATOM 962 CG LEU A 61 -7.788 16.685 -19.915 1.00 32.14 C ATOM 963 CD1 LEU A 61 -8.398 17.323 -18.677 1.00 32.15 C ATOM 964 CD2 LEU A 61 -8.876 16.125 -20.820 1.00 74.00 C ATOM 0 H LEU A 61 -4.995 16.720 -19.442 1.00 40.55 H new ATOM 0 HA LEU A 61 -6.003 16.407 -22.122 1.00 31.30 H new ATOM 0 HB2 LEU A 61 -6.607 18.469 -19.973 1.00 62.14 H new ATOM 0 HB3 LEU A 61 -7.554 18.187 -21.421 1.00 62.14 H new ATOM 0 HG LEU A 61 -7.149 15.862 -19.596 1.00 32.14 H new ATOM 0 HD11 LEU A 61 -9.006 16.587 -18.150 1.00 32.15 H new ATOM 0 HD12 LEU A 61 -7.603 17.675 -18.020 1.00 32.15 H new ATOM 0 HD13 LEU A 61 -9.024 18.165 -18.972 1.00 32.15 H new ATOM 0 HD21 LEU A 61 -9.478 15.406 -20.264 1.00 74.00 H new ATOM 0 HD22 LEU A 61 -9.513 16.938 -21.169 1.00 74.00 H new ATOM 0 HD23 LEU A 61 -8.418 15.630 -21.676 1.00 74.00 H new ATOM 976 N GLY A 62 -3.926 18.800 -21.414 1.00 52.53 N ATOM 977 CA GLY A 62 -3.142 19.875 -21.995 1.00 52.04 C ATOM 978 C GLY A 62 -2.296 19.410 -23.163 1.00 51.23 C ATOM 979 O GLY A 62 -1.864 20.218 -23.984 1.00 34.20 O ATOM 0 H GLY A 62 -3.632 18.512 -20.481 1.00 52.53 H new ATOM 0 HA2 GLY A 62 -3.810 20.669 -22.328 1.00 52.04 H new ATOM 0 HA3 GLY A 62 -2.495 20.303 -21.230 1.00 52.04 H new ATOM 983 N GLN A 63 -2.058 18.104 -23.236 1.00 24.23 N ATOM 984 CA GLN A 63 -1.255 17.533 -24.312 1.00 65.44 C ATOM 985 C GLN A 63 -2.140 17.063 -25.460 1.00 74.31 C ATOM 986 O GLN A 63 -1.705 17.007 -26.612 1.00 52.53 O ATOM 987 CB GLN A 63 -0.416 16.368 -23.787 1.00 34.11 C ATOM 988 CG GLN A 63 1.029 16.738 -23.498 1.00 23.33 C ATOM 989 CD GLN A 63 1.703 15.768 -22.549 1.00 60.21 C ATOM 990 OE1 GLN A 63 2.191 14.715 -22.962 1.00 43.23 O ATOM 991 NE2 GLN A 63 1.734 16.117 -21.269 1.00 43.42 N ATOM 0 H GLN A 63 -2.409 17.422 -22.564 1.00 24.23 H new ATOM 0 HA GLN A 63 -0.589 18.310 -24.687 1.00 65.44 H new ATOM 0 HB2 GLN A 63 -0.873 15.985 -22.875 1.00 34.11 H new ATOM 0 HB3 GLN A 63 -0.436 15.559 -24.518 1.00 34.11 H new ATOM 0 HG2 GLN A 63 1.586 16.770 -24.435 1.00 23.33 H new ATOM 0 HG3 GLN A 63 1.065 17.741 -23.072 1.00 23.33 H new ATOM 0 HE21 GLN A 63 1.317 16.999 -20.971 1.00 43.42 H new ATOM 0 HE22 GLN A 63 2.175 15.503 -20.584 1.00 43.42 H new ATOM 1000 N LEU A 64 -3.385 16.724 -25.142 1.00 11.31 N ATOM 1001 CA LEU A 64 -4.332 16.257 -26.147 1.00 13.31 C ATOM 1002 C LEU A 64 -5.122 17.422 -26.735 1.00 2.40 C ATOM 1003 O LEU A 64 -5.595 17.354 -27.869 1.00 53.33 O ATOM 1004 CB LEU A 64 -5.291 15.233 -25.537 1.00 70.03 C ATOM 1005 CG LEU A 64 -4.645 13.988 -24.930 1.00 73.01 C ATOM 1006 CD1 LEU A 64 -5.711 13.023 -24.432 1.00 3.32 C ATOM 1007 CD2 LEU A 64 -3.739 13.307 -25.946 1.00 73.31 C ATOM 0 H LEU A 64 -3.762 16.764 -24.195 1.00 11.31 H new ATOM 0 HA LEU A 64 -3.767 15.783 -26.950 1.00 13.31 H new ATOM 0 HB2 LEU A 64 -5.876 15.729 -24.762 1.00 70.03 H new ATOM 0 HB3 LEU A 64 -5.991 14.915 -26.310 1.00 70.03 H new ATOM 0 HG LEU A 64 -4.036 14.296 -24.080 1.00 73.01 H new ATOM 0 HD11 LEU A 64 -5.233 12.142 -24.003 1.00 3.32 H new ATOM 0 HD12 LEU A 64 -6.318 13.513 -23.671 1.00 3.32 H new ATOM 0 HD13 LEU A 64 -6.346 12.721 -25.265 1.00 3.32 H new ATOM 0 HD21 LEU A 64 -3.288 12.423 -25.496 1.00 73.31 H new ATOM 0 HD22 LEU A 64 -4.325 13.012 -26.816 1.00 73.31 H new ATOM 0 HD23 LEU A 64 -2.954 13.998 -26.254 1.00 73.31 H new ATOM 1019 N GLN A 65 -5.255 18.492 -25.957 1.00 71.41 N ATOM 1020 CA GLN A 65 -5.986 19.673 -26.402 1.00 3.20 C ATOM 1021 C GLN A 65 -5.476 20.149 -27.758 1.00 53.00 C ATOM 1022 O GLN A 65 -6.208 20.181 -28.747 1.00 70.24 O ATOM 1023 CB GLN A 65 -5.857 20.797 -25.371 1.00 15.12 C ATOM 1024 CG GLN A 65 -7.124 21.031 -24.565 1.00 4.13 C ATOM 1025 CD GLN A 65 -7.071 22.312 -23.755 1.00 34.33 C ATOM 1026 OE1 GLN A 65 -6.649 23.357 -24.252 1.00 73.13 O ATOM 1027 NE2 GLN A 65 -7.499 22.237 -22.501 1.00 52.45 N ATOM 0 H GLN A 65 -4.867 18.565 -25.017 1.00 71.41 H new ATOM 0 HA GLN A 65 -7.037 19.403 -26.504 1.00 3.20 H new ATOM 0 HB2 GLN A 65 -5.041 20.561 -24.689 1.00 15.12 H new ATOM 0 HB3 GLN A 65 -5.587 21.720 -25.884 1.00 15.12 H new ATOM 0 HG2 GLN A 65 -7.979 21.068 -25.241 1.00 4.13 H new ATOM 0 HG3 GLN A 65 -7.284 20.187 -23.894 1.00 4.13 H new ATOM 0 HE21 GLN A 65 -7.840 21.350 -22.131 1.00 52.45 H new ATOM 0 HE22 GLN A 65 -7.487 23.066 -21.907 1.00 52.45 H new ATOM 1036 N PRO A 66 -4.191 20.529 -27.807 1.00 11.12 N ATOM 1037 CA PRO A 66 -3.555 21.010 -29.037 1.00 5.11 C ATOM 1038 C PRO A 66 -3.368 19.901 -30.066 1.00 72.14 C ATOM 1039 O PRO A 66 -3.142 20.168 -31.247 1.00 52.31 O ATOM 1040 CB PRO A 66 -2.197 21.527 -28.555 1.00 43.00 C ATOM 1041 CG PRO A 66 -1.921 20.761 -27.308 1.00 53.43 C ATOM 1042 CD PRO A 66 -3.259 20.517 -26.667 1.00 62.12 C ATOM 0 HA PRO A 66 -4.160 21.764 -29.540 1.00 5.11 H new ATOM 0 HB2 PRO A 66 -1.422 21.359 -29.302 1.00 43.00 H new ATOM 0 HB3 PRO A 66 -2.227 22.599 -28.362 1.00 43.00 H new ATOM 0 HG2 PRO A 66 -1.418 19.820 -27.531 1.00 53.43 H new ATOM 0 HG3 PRO A 66 -1.266 21.323 -26.642 1.00 53.43 H new ATOM 0 HD2 PRO A 66 -3.283 19.564 -26.138 1.00 62.12 H new ATOM 0 HD3 PRO A 66 -3.503 21.291 -25.940 1.00 62.12 H new ATOM 1050 N SER A 67 -3.464 18.656 -29.611 1.00 61.43 N ATOM 1051 CA SER A 67 -3.303 17.506 -30.492 1.00 34.30 C ATOM 1052 C SER A 67 -4.656 16.888 -30.833 1.00 2.14 C ATOM 1053 O SER A 67 -4.751 15.695 -31.126 1.00 64.14 O ATOM 1054 CB SER A 67 -2.402 16.457 -29.837 1.00 32.02 C ATOM 1055 OG SER A 67 -1.517 15.883 -30.784 1.00 70.15 O ATOM 0 H SER A 67 -3.653 18.418 -28.637 1.00 61.43 H new ATOM 0 HA SER A 67 -2.837 17.850 -31.415 1.00 34.30 H new ATOM 0 HB2 SER A 67 -1.830 16.917 -29.031 1.00 32.02 H new ATOM 0 HB3 SER A 67 -3.015 15.676 -29.387 1.00 32.02 H new ATOM 0 HG SER A 67 -0.951 15.217 -30.341 1.00 70.15 H new ATOM 1061 N LEU A 68 -5.701 17.709 -30.794 1.00 1.35 N ATOM 1062 CA LEU A 68 -7.050 17.245 -31.098 1.00 14.10 C ATOM 1063 C LEU A 68 -7.269 17.159 -32.606 1.00 50.12 C ATOM 1064 O LEU A 68 -7.965 16.269 -33.090 1.00 31.11 O ATOM 1065 CB LEU A 68 -8.085 18.181 -30.473 1.00 4.03 C ATOM 1066 CG LEU A 68 -8.639 17.757 -29.112 1.00 2.14 C ATOM 1067 CD1 LEU A 68 -9.521 18.849 -28.531 1.00 44.05 C ATOM 1068 CD2 LEU A 68 -9.412 16.452 -29.234 1.00 61.33 C ATOM 0 H LEU A 68 -5.639 18.699 -30.555 1.00 1.35 H new ATOM 0 HA LEU A 68 -7.169 16.248 -30.675 1.00 14.10 H new ATOM 0 HB2 LEU A 68 -7.636 19.169 -30.368 1.00 4.03 H new ATOM 0 HB3 LEU A 68 -8.919 18.282 -31.167 1.00 4.03 H new ATOM 0 HG LEU A 68 -7.801 17.597 -28.434 1.00 2.14 H new ATOM 0 HD11 LEU A 68 -9.906 18.529 -27.563 1.00 44.05 H new ATOM 0 HD12 LEU A 68 -8.937 19.761 -28.406 1.00 44.05 H new ATOM 0 HD13 LEU A 68 -10.354 19.042 -29.207 1.00 44.05 H new ATOM 0 HD21 LEU A 68 -9.799 16.166 -28.256 1.00 61.33 H new ATOM 0 HD22 LEU A 68 -10.242 16.584 -29.928 1.00 61.33 H new ATOM 0 HD23 LEU A 68 -8.750 15.670 -29.605 1.00 61.33 H new ATOM 1080 N GLN A 69 -6.667 18.090 -33.339 1.00 62.35 N ATOM 1081 CA GLN A 69 -6.796 18.118 -34.792 1.00 64.02 C ATOM 1082 C GLN A 69 -5.932 17.040 -35.435 1.00 72.51 C ATOM 1083 O GLN A 69 -6.326 16.421 -36.425 1.00 34.12 O ATOM 1084 CB GLN A 69 -6.404 19.494 -35.333 1.00 42.31 C ATOM 1085 CG GLN A 69 -6.652 19.654 -36.824 1.00 5.00 C ATOM 1086 CD GLN A 69 -7.789 20.610 -37.127 1.00 30.02 C ATOM 1087 OE1 GLN A 69 -7.610 21.604 -37.829 1.00 24.44 O ATOM 1088 NE2 GLN A 69 -8.970 20.312 -36.597 1.00 52.25 N ATOM 0 H GLN A 69 -6.086 18.834 -32.952 1.00 62.35 H new ATOM 0 HA GLN A 69 -7.838 17.920 -35.044 1.00 64.02 H new ATOM 0 HB2 GLN A 69 -6.964 20.260 -34.796 1.00 42.31 H new ATOM 0 HB3 GLN A 69 -5.348 19.669 -35.128 1.00 42.31 H new ATOM 0 HG2 GLN A 69 -5.742 20.014 -37.303 1.00 5.00 H new ATOM 0 HG3 GLN A 69 -6.876 18.680 -37.258 1.00 5.00 H new ATOM 0 HE21 GLN A 69 -9.074 19.477 -36.020 1.00 52.25 H new ATOM 0 HE22 GLN A 69 -9.773 20.918 -36.767 1.00 52.25 H new ATOM 1097 N THR A 70 -4.750 16.819 -34.869 1.00 15.33 N ATOM 1098 CA THR A 70 -3.828 15.815 -35.389 1.00 65.13 C ATOM 1099 C THR A 70 -3.903 14.528 -34.576 1.00 2.14 C ATOM 1100 O THR A 70 -2.932 13.776 -34.497 1.00 33.13 O ATOM 1101 CB THR A 70 -2.377 16.331 -35.383 1.00 50.20 C ATOM 1102 OG1 THR A 70 -1.971 16.639 -34.044 1.00 31.44 O ATOM 1103 CG2 THR A 70 -2.238 17.567 -36.258 1.00 34.14 C ATOM 0 H THR A 70 -4.408 17.322 -34.050 1.00 15.33 H new ATOM 0 HA THR A 70 -4.128 15.609 -36.417 1.00 65.13 H new ATOM 0 HB THR A 70 -1.735 15.547 -35.785 1.00 50.20 H new ATOM 0 HG1 THR A 70 -1.047 16.965 -34.049 1.00 31.44 H new ATOM 0 HG21 THR A 70 -1.205 17.913 -36.238 1.00 34.14 H new ATOM 0 HG22 THR A 70 -2.518 17.321 -37.282 1.00 34.14 H new ATOM 0 HG23 THR A 70 -2.891 18.354 -35.882 1.00 34.14 H new ATOM 1111 N GLY A 71 -5.061 14.279 -33.974 1.00 52.43 N ATOM 1112 CA GLY A 71 -5.240 13.081 -33.176 1.00 75.03 C ATOM 1113 C GLY A 71 -5.969 11.985 -33.929 1.00 60.20 C ATOM 1114 O GLY A 71 -6.426 12.195 -35.053 1.00 74.01 O ATOM 0 H GLY A 71 -5.879 14.886 -34.025 1.00 52.43 H new ATOM 0 HA2 GLY A 71 -4.265 12.712 -32.857 1.00 75.03 H new ATOM 0 HA3 GLY A 71 -5.798 13.330 -32.273 1.00 75.03 H new ATOM 1118 N SER A 72 -6.077 10.814 -33.311 1.00 31.04 N ATOM 1119 CA SER A 72 -6.750 9.680 -33.933 1.00 75.50 C ATOM 1120 C SER A 72 -7.902 9.188 -33.062 1.00 21.23 C ATOM 1121 O SER A 72 -8.251 9.817 -32.063 1.00 23.33 O ATOM 1122 CB SER A 72 -5.758 8.541 -34.177 1.00 41.23 C ATOM 1123 OG SER A 72 -5.483 7.839 -32.977 1.00 54.42 O ATOM 0 H SER A 72 -5.707 10.625 -32.379 1.00 31.04 H new ATOM 0 HA SER A 72 -7.155 10.010 -34.890 1.00 75.50 H new ATOM 0 HB2 SER A 72 -6.164 7.854 -34.919 1.00 41.23 H new ATOM 0 HB3 SER A 72 -4.832 8.943 -34.587 1.00 41.23 H new ATOM 0 HG SER A 72 -4.848 7.115 -33.160 1.00 54.42 H new ATOM 1129 N GLU A 73 -8.488 8.060 -33.449 1.00 54.35 N ATOM 1130 CA GLU A 73 -9.602 7.483 -32.704 1.00 22.13 C ATOM 1131 C GLU A 73 -9.241 7.314 -31.231 1.00 53.32 C ATOM 1132 O GLU A 73 -10.077 7.514 -30.350 1.00 71.50 O ATOM 1133 CB GLU A 73 -9.999 6.133 -33.302 1.00 73.14 C ATOM 1134 CG GLU A 73 -11.252 6.191 -34.161 1.00 44.14 C ATOM 1135 CD GLU A 73 -11.601 4.850 -34.776 1.00 44.42 C ATOM 1136 OE1 GLU A 73 -11.772 3.876 -34.014 1.00 53.41 O ATOM 1137 OE2 GLU A 73 -11.703 4.776 -36.018 1.00 74.33 O1- ATOM 0 H GLU A 73 -8.211 7.527 -34.273 1.00 54.35 H new ATOM 0 HA GLU A 73 -10.448 8.167 -32.777 1.00 22.13 H new ATOM 0 HB2 GLU A 73 -9.173 5.755 -33.905 1.00 73.14 H new ATOM 0 HB3 GLU A 73 -10.156 5.419 -32.493 1.00 73.14 H new ATOM 0 HG2 GLU A 73 -12.089 6.536 -33.554 1.00 44.14 H new ATOM 0 HG3 GLU A 73 -11.110 6.924 -34.955 1.00 44.14 H new ATOM 1144 N GLU A 74 -7.991 6.943 -30.973 1.00 71.11 N ATOM 1145 CA GLU A 74 -7.520 6.746 -29.607 1.00 71.31 C ATOM 1146 C GLU A 74 -7.398 8.079 -28.875 1.00 64.33 C ATOM 1147 O GLU A 74 -7.995 8.276 -27.816 1.00 5.34 O ATOM 1148 CB GLU A 74 -6.170 6.025 -29.608 1.00 64.41 C ATOM 1149 CG GLU A 74 -6.207 4.662 -30.277 1.00 60.45 C ATOM 1150 CD GLU A 74 -6.775 3.584 -29.374 1.00 44.43 C ATOM 1151 OE1 GLU A 74 -6.148 3.294 -28.333 1.00 52.44 O ATOM 1152 OE2 GLU A 74 -7.844 3.032 -29.706 1.00 63.10 O1- ATOM 0 H GLU A 74 -7.287 6.773 -31.691 1.00 71.11 H new ATOM 0 HA GLU A 74 -8.251 6.131 -29.083 1.00 71.31 H new ATOM 0 HB2 GLU A 74 -5.435 6.649 -30.116 1.00 64.41 H new ATOM 0 HB3 GLU A 74 -5.831 5.906 -28.579 1.00 64.41 H new ATOM 0 HG2 GLU A 74 -6.807 4.723 -31.185 1.00 60.45 H new ATOM 0 HG3 GLU A 74 -5.198 4.383 -30.580 1.00 60.45 H new ATOM 1159 N LEU A 75 -6.620 8.991 -29.447 1.00 41.03 N ATOM 1160 CA LEU A 75 -6.417 10.307 -28.850 1.00 43.43 C ATOM 1161 C LEU A 75 -7.752 10.994 -28.581 1.00 62.42 C ATOM 1162 O LEU A 75 -7.949 11.599 -27.527 1.00 33.31 O ATOM 1163 CB LEU A 75 -5.557 11.178 -29.767 1.00 61.32 C ATOM 1164 CG LEU A 75 -4.873 12.376 -29.107 1.00 14.14 C ATOM 1165 CD1 LEU A 75 -3.577 12.714 -29.828 1.00 23.34 C ATOM 1166 CD2 LEU A 75 -5.804 13.578 -29.088 1.00 41.00 C ATOM 0 H LEU A 75 -6.119 8.844 -30.323 1.00 41.03 H new ATOM 0 HA LEU A 75 -5.901 10.172 -27.900 1.00 43.43 H new ATOM 0 HB2 LEU A 75 -4.789 10.549 -30.217 1.00 61.32 H new ATOM 0 HB3 LEU A 75 -6.184 11.545 -30.579 1.00 61.32 H new ATOM 0 HG LEU A 75 -4.634 12.111 -28.077 1.00 14.14 H new ATOM 0 HD11 LEU A 75 -3.104 13.569 -29.345 1.00 23.34 H new ATOM 0 HD12 LEU A 75 -2.905 11.857 -29.789 1.00 23.34 H new ATOM 0 HD13 LEU A 75 -3.792 12.959 -30.868 1.00 23.34 H new ATOM 0 HD21 LEU A 75 -5.300 14.421 -28.615 1.00 41.00 H new ATOM 0 HD22 LEU A 75 -6.075 13.844 -30.110 1.00 41.00 H new ATOM 0 HD23 LEU A 75 -6.705 13.332 -28.526 1.00 41.00 H new ATOM 1178 N ARG A 76 -8.666 10.896 -29.542 1.00 42.33 N ATOM 1179 CA ARG A 76 -9.983 11.508 -29.408 1.00 24.33 C ATOM 1180 C ARG A 76 -10.720 10.952 -28.194 1.00 34.22 C ATOM 1181 O ARG A 76 -11.086 11.694 -27.283 1.00 4.54 O ATOM 1182 CB ARG A 76 -10.809 11.271 -30.674 1.00 41.03 C ATOM 1183 CG ARG A 76 -11.043 12.530 -31.494 1.00 41.50 C ATOM 1184 CD ARG A 76 -10.090 12.609 -32.676 1.00 25.13 C ATOM 1185 NE ARG A 76 -10.598 11.888 -33.839 1.00 74.55 N ATOM 1186 CZ ARG A 76 -10.178 12.104 -35.080 1.00 15.24 C ATOM 1187 NH1 ARG A 76 -9.245 13.016 -35.318 1.00 31.41 N1+ ATOM 1188 NH2 ARG A 76 -10.689 11.406 -36.086 1.00 63.42 N ATOM 0 H ARG A 76 -8.519 10.399 -30.421 1.00 42.33 H new ATOM 0 HA ARG A 76 -9.846 12.580 -29.267 1.00 24.33 H new ATOM 0 HB2 ARG A 76 -10.302 10.532 -31.295 1.00 41.03 H new ATOM 0 HB3 ARG A 76 -11.773 10.845 -30.394 1.00 41.03 H new ATOM 0 HG2 ARG A 76 -12.072 12.546 -31.853 1.00 41.50 H new ATOM 0 HG3 ARG A 76 -10.913 13.408 -30.861 1.00 41.50 H new ATOM 0 HD2 ARG A 76 -9.927 13.654 -32.940 1.00 25.13 H new ATOM 0 HD3 ARG A 76 -9.122 12.198 -32.389 1.00 25.13 H new ATOM 0 HE ARG A 76 -11.316 11.179 -33.690 1.00 74.55 H new ATOM 0 HH11 ARG A 76 -8.848 13.553 -34.547 1.00 31.41 H new ATOM 0 HH12 ARG A 76 -8.924 13.180 -36.272 1.00 31.41 H new ATOM 0 HH21 ARG A 76 -11.405 10.702 -35.907 1.00 63.42 H new ATOM 0 HH22 ARG A 76 -10.365 11.573 -37.039 1.00 63.42 H new ATOM 1202 N SER A 77 -10.936 9.640 -28.190 1.00 71.20 N ATOM 1203 CA SER A 77 -11.635 8.984 -27.090 1.00 11.34 C ATOM 1204 C SER A 77 -11.002 9.348 -25.751 1.00 64.51 C ATOM 1205 O SER A 77 -11.696 9.506 -24.746 1.00 15.40 O ATOM 1206 CB SER A 77 -11.615 7.466 -27.279 1.00 21.14 C ATOM 1207 OG SER A 77 -12.759 7.026 -27.992 1.00 12.25 O ATOM 0 H SER A 77 -10.637 9.011 -28.935 1.00 71.20 H new ATOM 0 HA SER A 77 -12.669 9.330 -27.091 1.00 11.34 H new ATOM 0 HB2 SER A 77 -10.713 7.175 -27.817 1.00 21.14 H new ATOM 0 HB3 SER A 77 -11.578 6.976 -26.306 1.00 21.14 H new ATOM 0 HG SER A 77 -12.722 6.053 -28.101 1.00 12.25 H new ATOM 1213 N LEU A 78 -9.681 9.484 -25.745 1.00 35.13 N ATOM 1214 CA LEU A 78 -8.953 9.830 -24.530 1.00 2.51 C ATOM 1215 C LEU A 78 -9.422 11.172 -23.977 1.00 73.55 C ATOM 1216 O LEU A 78 -9.871 11.261 -22.833 1.00 23.32 O ATOM 1217 CB LEU A 78 -7.449 9.880 -24.808 1.00 72.25 C ATOM 1218 CG LEU A 78 -6.634 8.686 -24.309 1.00 32.11 C ATOM 1219 CD1 LEU A 78 -6.807 8.512 -22.808 1.00 11.04 C ATOM 1220 CD2 LEU A 78 -7.041 7.417 -25.046 1.00 20.01 C ATOM 0 H LEU A 78 -9.092 9.360 -26.568 1.00 35.13 H new ATOM 0 HA LEU A 78 -9.154 9.060 -23.786 1.00 2.51 H new ATOM 0 HB2 LEU A 78 -7.302 9.971 -25.884 1.00 72.25 H new ATOM 0 HB3 LEU A 78 -7.046 10.785 -24.354 1.00 72.25 H new ATOM 0 HG LEU A 78 -5.581 8.878 -24.513 1.00 32.11 H new ATOM 0 HD11 LEU A 78 -6.220 7.658 -22.471 1.00 11.04 H new ATOM 0 HD12 LEU A 78 -6.466 9.412 -22.296 1.00 11.04 H new ATOM 0 HD13 LEU A 78 -7.859 8.342 -22.580 1.00 11.04 H new ATOM 0 HD21 LEU A 78 -6.451 6.578 -24.678 1.00 20.01 H new ATOM 0 HD22 LEU A 78 -8.099 7.220 -24.874 1.00 20.01 H new ATOM 0 HD23 LEU A 78 -6.865 7.544 -26.114 1.00 20.01 H new ATOM 1232 N TYR A 79 -9.320 12.212 -24.797 1.00 13.31 N ATOM 1233 CA TYR A 79 -9.735 13.549 -24.390 1.00 2.22 C ATOM 1234 C TYR A 79 -11.168 13.540 -23.868 1.00 43.31 C ATOM 1235 O TYR A 79 -11.535 14.349 -23.016 1.00 72.13 O ATOM 1236 CB TYR A 79 -9.614 14.523 -25.564 1.00 34.13 C ATOM 1237 CG TYR A 79 -9.667 15.976 -25.153 1.00 5.24 C ATOM 1238 CD1 TYR A 79 -8.627 16.552 -24.433 1.00 5.11 C ATOM 1239 CD2 TYR A 79 -10.754 16.774 -25.485 1.00 41.35 C ATOM 1240 CE1 TYR A 79 -8.670 17.880 -24.055 1.00 63.12 C ATOM 1241 CE2 TYR A 79 -10.806 18.103 -25.111 1.00 22.33 C ATOM 1242 CZ TYR A 79 -9.761 18.652 -24.397 1.00 64.21 C ATOM 1243 OH TYR A 79 -9.810 19.975 -24.022 1.00 10.34 O ATOM 0 H TYR A 79 -8.954 12.155 -25.747 1.00 13.31 H new ATOM 0 HA TYR A 79 -9.077 13.876 -23.585 1.00 2.22 H new ATOM 0 HB2 TYR A 79 -8.675 14.336 -26.085 1.00 34.13 H new ATOM 0 HB3 TYR A 79 -10.418 14.325 -26.273 1.00 34.13 H new ATOM 0 HD1 TYR A 79 -7.771 15.951 -24.164 1.00 5.11 H new ATOM 0 HD2 TYR A 79 -11.573 16.348 -26.045 1.00 41.35 H new ATOM 0 HE1 TYR A 79 -7.854 18.312 -23.495 1.00 63.12 H new ATOM 0 HE2 TYR A 79 -11.660 18.709 -25.376 1.00 22.33 H new ATOM 0 HH TYR A 79 -10.645 20.375 -24.343 1.00 10.34 H new ATOM 1253 N ASN A 80 -11.973 12.617 -24.385 1.00 65.14 N ATOM 1254 CA ASN A 80 -13.367 12.502 -23.972 1.00 53.45 C ATOM 1255 C ASN A 80 -13.469 11.968 -22.546 1.00 42.31 C ATOM 1256 O ASN A 80 -14.056 12.608 -21.671 1.00 22.11 O ATOM 1257 CB ASN A 80 -14.129 11.582 -24.927 1.00 70.31 C ATOM 1258 CG ASN A 80 -14.854 12.351 -26.016 1.00 1.43 C ATOM 1259 OD1 ASN A 80 -14.628 13.546 -26.201 1.00 3.22 O ATOM 1260 ND2 ASN A 80 -15.729 11.665 -26.741 1.00 1.03 N ATOM 0 H ASN A 80 -11.684 11.939 -25.090 1.00 65.14 H new ATOM 0 HA ASN A 80 -13.812 13.496 -24.003 1.00 53.45 H new ATOM 0 HB2 ASN A 80 -13.432 10.880 -25.384 1.00 70.31 H new ATOM 0 HB3 ASN A 80 -14.850 10.992 -24.361 1.00 70.31 H new ATOM 0 HD21 ASN A 80 -16.247 12.128 -27.488 1.00 1.03 H new ATOM 0 HD22 ASN A 80 -15.884 10.675 -26.551 1.00 1.03 H new ATOM 1267 N THR A 81 -12.893 10.792 -22.316 1.00 23.03 N ATOM 1268 CA THR A 81 -12.918 10.173 -20.998 1.00 73.42 C ATOM 1269 C THR A 81 -12.177 11.026 -19.975 1.00 72.15 C ATOM 1270 O THR A 81 -12.711 11.337 -18.909 1.00 53.34 O ATOM 1271 CB THR A 81 -12.293 8.765 -21.026 1.00 2.24 C ATOM 1272 OG1 THR A 81 -12.929 7.966 -22.030 1.00 65.35 O ATOM 1273 CG2 THR A 81 -12.426 8.086 -19.672 1.00 44.44 C ATOM 0 H THR A 81 -12.403 10.249 -23.027 1.00 23.03 H new ATOM 0 HA THR A 81 -13.965 10.091 -20.708 1.00 73.42 H new ATOM 0 HB THR A 81 -11.234 8.867 -21.261 1.00 2.24 H new ATOM 0 HG1 THR A 81 -12.525 7.073 -22.042 1.00 65.35 H new ATOM 0 HG21 THR A 81 -11.977 7.094 -19.717 1.00 44.44 H new ATOM 0 HG22 THR A 81 -11.915 8.681 -18.915 1.00 44.44 H new ATOM 0 HG23 THR A 81 -13.481 7.996 -19.412 1.00 44.44 H new ATOM 1281 N ILE A 82 -10.946 11.401 -20.305 1.00 70.14 N ATOM 1282 CA ILE A 82 -10.134 12.221 -19.415 1.00 52.22 C ATOM 1283 C ILE A 82 -10.856 13.511 -19.042 1.00 50.54 C ATOM 1284 O ILE A 82 -10.608 14.089 -17.985 1.00 5.01 O ATOM 1285 CB ILE A 82 -8.778 12.572 -20.055 1.00 10.45 C ATOM 1286 CG1 ILE A 82 -8.018 11.295 -20.425 1.00 62.22 C ATOM 1287 CG2 ILE A 82 -7.952 13.430 -19.108 1.00 12.53 C ATOM 1288 CD1 ILE A 82 -6.882 11.529 -21.396 1.00 42.43 C ATOM 0 H ILE A 82 -10.489 11.150 -21.182 1.00 70.14 H new ATOM 0 HA ILE A 82 -9.961 11.632 -18.514 1.00 52.22 H new ATOM 0 HB ILE A 82 -8.959 13.142 -20.966 1.00 10.45 H new ATOM 0 HG12 ILE A 82 -7.621 10.842 -19.517 1.00 62.22 H new ATOM 0 HG13 ILE A 82 -8.716 10.579 -20.860 1.00 62.22 H new ATOM 0 HG21 ILE A 82 -6.996 13.670 -19.574 1.00 12.53 H new ATOM 0 HG22 ILE A 82 -8.491 14.352 -18.889 1.00 12.53 H new ATOM 0 HG23 ILE A 82 -7.776 12.884 -18.181 1.00 12.53 H new ATOM 0 HD11 ILE A 82 -6.388 10.582 -21.613 1.00 42.43 H new ATOM 0 HD12 ILE A 82 -7.275 11.954 -22.320 1.00 42.43 H new ATOM 0 HD13 ILE A 82 -6.163 12.220 -20.955 1.00 42.43 H new ATOM 1300 N ALA A 83 -11.753 13.954 -19.917 1.00 25.14 N ATOM 1301 CA ALA A 83 -12.515 15.174 -19.678 1.00 5.14 C ATOM 1302 C ALA A 83 -13.572 14.958 -18.601 1.00 23.11 C ATOM 1303 O ALA A 83 -13.545 15.602 -17.552 1.00 1.33 O ATOM 1304 CB ALA A 83 -13.163 15.653 -20.968 1.00 22.02 C ATOM 0 H ALA A 83 -11.970 13.487 -20.797 1.00 25.14 H new ATOM 0 HA ALA A 83 -11.825 15.941 -19.325 1.00 5.14 H new ATOM 0 HB1 ALA A 83 -13.729 16.564 -20.774 1.00 22.02 H new ATOM 0 HB2 ALA A 83 -12.390 15.856 -21.710 1.00 22.02 H new ATOM 0 HB3 ALA A 83 -13.835 14.882 -21.346 1.00 22.02 H new ATOM 1310 N VAL A 84 -14.504 14.049 -18.867 1.00 72.04 N ATOM 1311 CA VAL A 84 -15.572 13.748 -17.920 1.00 11.25 C ATOM 1312 C VAL A 84 -15.008 13.442 -16.537 1.00 55.22 C ATOM 1313 O VAL A 84 -15.588 13.824 -15.519 1.00 73.20 O ATOM 1314 CB VAL A 84 -16.421 12.553 -18.393 1.00 41.41 C ATOM 1315 CG1 VAL A 84 -17.513 12.242 -17.381 1.00 73.14 C ATOM 1316 CG2 VAL A 84 -17.016 12.833 -19.764 1.00 43.11 C ATOM 0 H VAL A 84 -14.542 13.508 -19.731 1.00 72.04 H new ATOM 0 HA VAL A 84 -16.205 14.633 -17.864 1.00 11.25 H new ATOM 0 HB VAL A 84 -15.775 11.679 -18.475 1.00 41.41 H new ATOM 0 HG11 VAL A 84 -18.103 11.395 -17.731 1.00 73.14 H new ATOM 0 HG12 VAL A 84 -17.060 11.996 -16.421 1.00 73.14 H new ATOM 0 HG13 VAL A 84 -18.160 13.112 -17.265 1.00 73.14 H new ATOM 0 HG21 VAL A 84 -17.613 11.979 -20.083 1.00 43.11 H new ATOM 0 HG22 VAL A 84 -17.649 13.719 -19.712 1.00 43.11 H new ATOM 0 HG23 VAL A 84 -16.213 13.003 -20.481 1.00 43.11 H new ATOM 1326 N LEU A 85 -13.874 12.750 -16.505 1.00 34.22 N ATOM 1327 CA LEU A 85 -13.231 12.391 -15.246 1.00 24.45 C ATOM 1328 C LEU A 85 -12.689 13.630 -14.540 1.00 63.45 C ATOM 1329 O LEU A 85 -12.940 13.839 -13.352 1.00 25.45 O ATOM 1330 CB LEU A 85 -12.097 11.397 -15.496 1.00 14.54 C ATOM 1331 CG LEU A 85 -11.557 10.670 -14.263 1.00 71.15 C ATOM 1332 CD1 LEU A 85 -12.359 9.406 -13.994 1.00 73.43 C ATOM 1333 CD2 LEU A 85 -10.082 10.340 -14.440 1.00 61.35 C ATOM 0 H LEU A 85 -13.381 12.426 -17.337 1.00 34.22 H new ATOM 0 HA LEU A 85 -13.979 11.926 -14.603 1.00 24.45 H new ATOM 0 HB2 LEU A 85 -12.446 10.650 -16.209 1.00 14.54 H new ATOM 0 HB3 LEU A 85 -11.272 11.929 -15.969 1.00 14.54 H new ATOM 0 HG LEU A 85 -11.660 11.331 -13.402 1.00 71.15 H new ATOM 0 HD11 LEU A 85 -11.960 8.903 -13.113 1.00 73.43 H new ATOM 0 HD12 LEU A 85 -13.403 9.667 -13.821 1.00 73.43 H new ATOM 0 HD13 LEU A 85 -12.289 8.741 -14.855 1.00 73.43 H new ATOM 0 HD21 LEU A 85 -9.716 9.823 -13.553 1.00 61.35 H new ATOM 0 HD22 LEU A 85 -9.955 9.699 -15.312 1.00 61.35 H new ATOM 0 HD23 LEU A 85 -9.517 11.262 -14.582 1.00 61.35 H new ATOM 1345 N TYR A 86 -11.949 14.449 -15.277 1.00 1.23 N ATOM 1346 CA TYR A 86 -11.372 15.668 -14.721 1.00 34.04 C ATOM 1347 C TYR A 86 -12.442 16.514 -14.037 1.00 0.21 C ATOM 1348 O TYR A 86 -12.276 16.934 -12.891 1.00 70.40 O ATOM 1349 CB TYR A 86 -10.689 16.482 -15.822 1.00 15.33 C ATOM 1350 CG TYR A 86 -10.240 17.853 -15.371 1.00 41.23 C ATOM 1351 CD1 TYR A 86 -9.198 18.001 -14.463 1.00 21.52 C ATOM 1352 CD2 TYR A 86 -10.856 19.001 -15.853 1.00 75.23 C ATOM 1353 CE1 TYR A 86 -8.785 19.252 -14.047 1.00 61.31 C ATOM 1354 CE2 TYR A 86 -10.450 20.256 -15.444 1.00 41.43 C ATOM 1355 CZ TYR A 86 -9.414 20.376 -14.540 1.00 24.35 C ATOM 1356 OH TYR A 86 -9.004 21.624 -14.130 1.00 71.35 O ATOM 0 H TYR A 86 -11.734 14.292 -16.262 1.00 1.23 H new ATOM 0 HA TYR A 86 -10.629 15.382 -13.976 1.00 34.04 H new ATOM 0 HB2 TYR A 86 -9.825 15.928 -16.189 1.00 15.33 H new ATOM 0 HB3 TYR A 86 -11.376 16.592 -16.661 1.00 15.33 H new ATOM 0 HD1 TYR A 86 -8.703 17.123 -14.076 1.00 21.52 H new ATOM 0 HD2 TYR A 86 -11.667 18.910 -16.560 1.00 75.23 H new ATOM 0 HE1 TYR A 86 -7.974 19.349 -13.340 1.00 61.31 H new ATOM 0 HE2 TYR A 86 -10.940 21.138 -15.829 1.00 41.43 H new ATOM 0 HH TYR A 86 -9.549 22.309 -14.571 1.00 71.35 H new ATOM 1366 N CYS A 87 -13.537 16.758 -14.747 1.00 11.31 N ATOM 1367 CA CYS A 87 -14.634 17.554 -14.210 1.00 74.31 C ATOM 1368 C CYS A 87 -15.076 17.023 -12.850 1.00 52.23 C ATOM 1369 O CYS A 87 -15.545 17.779 -11.999 1.00 51.53 O ATOM 1370 CB CYS A 87 -15.817 17.551 -15.180 1.00 2.33 C ATOM 1371 SG CYS A 87 -15.564 18.569 -16.654 1.00 62.22 S ATOM 0 H CYS A 87 -13.689 16.416 -15.696 1.00 11.31 H new ATOM 0 HA CYS A 87 -14.279 18.577 -14.083 1.00 74.31 H new ATOM 0 HB2 CYS A 87 -16.017 16.525 -15.490 1.00 2.33 H new ATOM 0 HB3 CYS A 87 -16.705 17.904 -14.655 1.00 2.33 H new ATOM 0 HG CYS A 87 -16.616 18.501 -17.414 1.00 62.22 H new ATOM 1377 N VAL A 88 -14.926 15.717 -12.653 1.00 2.53 N ATOM 1378 CA VAL A 88 -15.308 15.084 -11.396 1.00 32.34 C ATOM 1379 C VAL A 88 -14.325 15.430 -10.285 1.00 41.22 C ATOM 1380 O VAL A 88 -14.723 15.685 -9.147 1.00 41.34 O ATOM 1381 CB VAL A 88 -15.386 13.552 -11.541 1.00 11.15 C ATOM 1382 CG1 VAL A 88 -15.963 12.925 -10.282 1.00 43.14 C ATOM 1383 CG2 VAL A 88 -16.210 13.173 -12.762 1.00 10.13 C ATOM 0 H VAL A 88 -14.543 15.076 -13.348 1.00 2.53 H new ATOM 0 HA VAL A 88 -16.294 15.467 -11.135 1.00 32.34 H new ATOM 0 HB VAL A 88 -14.376 13.166 -11.680 1.00 11.15 H new ATOM 0 HG11 VAL A 88 -16.010 11.843 -10.403 1.00 43.14 H new ATOM 0 HG12 VAL A 88 -15.327 13.167 -9.431 1.00 43.14 H new ATOM 0 HG13 VAL A 88 -16.966 13.315 -10.108 1.00 43.14 H new ATOM 0 HG21 VAL A 88 -16.254 12.087 -12.848 1.00 10.13 H new ATOM 0 HG22 VAL A 88 -17.220 13.570 -12.657 1.00 10.13 H new ATOM 0 HG23 VAL A 88 -15.747 13.590 -13.657 1.00 10.13 H new ATOM 1393 N HIS A 89 -13.039 15.438 -10.620 1.00 1.13 N ATOM 1394 CA HIS A 89 -11.997 15.753 -9.649 1.00 24.21 C ATOM 1395 C HIS A 89 -11.909 17.260 -9.420 1.00 44.02 C ATOM 1396 O HIS A 89 -11.239 17.647 -8.463 1.00 44.51 O ATOM 1397 CB HIS A 89 -10.646 15.219 -10.127 1.00 44.53 C ATOM 1398 CG HIS A 89 -10.641 13.742 -10.374 1.00 23.05 C ATOM 1399 ND1 HIS A 89 -11.484 12.866 -9.724 1.00 3.33 N ATOM 1400 CD2 HIS A 89 -9.888 12.988 -11.209 1.00 55.00 C ATOM 1401 CE1 HIS A 89 -11.249 11.637 -10.147 1.00 63.43 C ATOM 1402 NE2 HIS A 89 -10.285 11.683 -11.049 1.00 61.42 N ATOM 0 H HIS A 89 -12.693 15.230 -11.557 1.00 1.13 H new ATOM 0 HA HIS A 89 -12.255 15.272 -8.705 1.00 24.21 H new ATOM 0 HB2 HIS A 89 -10.365 15.734 -11.046 1.00 44.53 H new ATOM 0 HB3 HIS A 89 -9.886 15.458 -9.383 1.00 44.53 H new ATOM 0 HD2 HIS A 89 -9.118 13.346 -11.877 1.00 55.00 H new ATOM 0 HE1 HIS A 89 -11.759 10.746 -9.812 1.00 63.43 H new ATOM 0 HE2 HIS A 89 -9.899 10.880 -11.546 1.00 61.42 H new ATOM 1411 N GLN A 90 -12.544 18.088 -10.241 1.00 23.30 N ATOM 1412 CA GLN A 90 -12.487 19.534 -10.062 1.00 63.52 C ATOM 1413 C GLN A 90 -13.737 20.045 -9.352 1.00 53.44 C ATOM 1414 O GLN A 90 -13.687 20.424 -8.182 1.00 64.32 O ATOM 1415 CB GLN A 90 -12.334 20.232 -11.414 1.00 71.54 C ATOM 1416 CG GLN A 90 -10.973 20.876 -11.616 1.00 24.53 C ATOM 1417 CD GLN A 90 -10.671 21.943 -10.582 1.00 71.34 C ATOM 1418 OE1 GLN A 90 -10.207 21.642 -9.482 1.00 22.40 O ATOM 1419 NE2 GLN A 90 -10.936 23.196 -10.930 1.00 60.31 N ATOM 0 H GLN A 90 -13.104 17.783 -11.037 1.00 23.30 H new ATOM 0 HA GLN A 90 -11.620 19.763 -9.443 1.00 63.52 H new ATOM 0 HB2 GLN A 90 -12.505 19.506 -12.209 1.00 71.54 H new ATOM 0 HB3 GLN A 90 -13.106 20.996 -11.508 1.00 71.54 H new ATOM 0 HG2 GLN A 90 -10.202 20.107 -11.574 1.00 24.53 H new ATOM 0 HG3 GLN A 90 -10.929 21.318 -12.611 1.00 24.53 H new ATOM 0 HE21 GLN A 90 -11.320 23.399 -11.853 1.00 60.31 H new ATOM 0 HE22 GLN A 90 -10.755 23.956 -10.275 1.00 60.31 H new ATOM 1428 N ARG A 91 -14.857 20.049 -10.067 1.00 72.12 N ATOM 1429 CA ARG A 91 -16.120 20.513 -9.505 1.00 61.34 C ATOM 1430 C ARG A 91 -17.248 20.391 -10.526 1.00 25.01 C ATOM 1431 O ARG A 91 -18.387 20.085 -10.174 1.00 23.14 O ATOM 1432 CB ARG A 91 -15.993 21.966 -9.041 1.00 72.05 C ATOM 1433 CG ARG A 91 -16.486 22.197 -7.621 1.00 33.32 C ATOM 1434 CD ARG A 91 -17.386 23.420 -7.537 1.00 62.23 C ATOM 1435 NE ARG A 91 -16.637 24.628 -7.198 1.00 54.01 N ATOM 1436 CZ ARG A 91 -17.211 25.787 -6.895 1.00 20.13 C ATOM 1437 NH1 ARG A 91 -18.532 25.895 -6.889 1.00 54.52 N1+ ATOM 1438 NH2 ARG A 91 -16.462 26.841 -6.597 1.00 61.24 N ATOM 0 H ARG A 91 -14.916 19.736 -11.036 1.00 72.12 H new ATOM 0 HA ARG A 91 -16.360 19.884 -8.648 1.00 61.34 H new ATOM 0 HB2 ARG A 91 -14.948 22.270 -9.108 1.00 72.05 H new ATOM 0 HB3 ARG A 91 -16.555 22.606 -9.721 1.00 72.05 H new ATOM 0 HG2 ARG A 91 -17.031 21.318 -7.276 1.00 33.32 H new ATOM 0 HG3 ARG A 91 -15.633 22.325 -6.955 1.00 33.32 H new ATOM 0 HD2 ARG A 91 -17.893 23.563 -8.491 1.00 62.23 H new ATOM 0 HD3 ARG A 91 -18.159 23.250 -6.788 1.00 62.23 H new ATOM 0 HE ARG A 91 -15.618 24.579 -7.194 1.00 54.01 H new ATOM 0 HH11 ARG A 91 -19.111 25.087 -7.117 1.00 54.52 H new ATOM 0 HH12 ARG A 91 -18.970 26.786 -6.656 1.00 54.52 H new ATOM 0 HH21 ARG A 91 -15.445 26.761 -6.601 1.00 61.24 H new ATOM 0 HH22 ARG A 91 -16.903 27.731 -6.364 1.00 61.24 H new ATOM 1452 N ILE A 92 -16.921 20.635 -11.791 1.00 71.01 N ATOM 1453 CA ILE A 92 -17.905 20.552 -12.863 1.00 75.12 C ATOM 1454 C ILE A 92 -18.639 19.215 -12.833 1.00 12.23 C ATOM 1455 O ILE A 92 -18.019 18.157 -12.727 1.00 31.22 O ATOM 1456 CB ILE A 92 -17.250 20.733 -14.245 1.00 44.41 C ATOM 1457 CG1 ILE A 92 -16.481 22.056 -14.300 1.00 70.15 C ATOM 1458 CG2 ILE A 92 -18.303 20.680 -15.342 1.00 45.43 C ATOM 1459 CD1 ILE A 92 -14.979 21.884 -14.256 1.00 40.23 C ATOM 0 H ILE A 92 -15.983 20.892 -12.098 1.00 71.01 H new ATOM 0 HA ILE A 92 -18.618 21.360 -12.699 1.00 75.12 H new ATOM 0 HB ILE A 92 -16.545 19.917 -14.406 1.00 44.41 H new ATOM 0 HG12 ILE A 92 -16.751 22.586 -15.213 1.00 70.15 H new ATOM 0 HG13 ILE A 92 -16.792 22.682 -13.464 1.00 70.15 H new ATOM 0 HG21 ILE A 92 -17.824 20.810 -16.313 1.00 45.43 H new ATOM 0 HG22 ILE A 92 -18.810 19.716 -15.313 1.00 45.43 H new ATOM 0 HG23 ILE A 92 -19.030 21.477 -15.187 1.00 45.43 H new ATOM 0 HD11 ILE A 92 -14.499 22.862 -14.299 1.00 40.23 H new ATOM 0 HD12 ILE A 92 -14.697 21.382 -13.331 1.00 40.23 H new ATOM 0 HD13 ILE A 92 -14.656 21.284 -15.107 1.00 40.23 H new ATOM 1471 N ASP A 93 -19.963 19.271 -12.930 1.00 62.03 N ATOM 1472 CA ASP A 93 -20.782 18.065 -12.916 1.00 62.22 C ATOM 1473 C ASP A 93 -21.621 17.964 -14.187 1.00 13.43 C ATOM 1474 O ASP A 93 -22.848 18.032 -14.141 1.00 54.54 O ATOM 1475 CB ASP A 93 -21.694 18.055 -11.688 1.00 5.23 C ATOM 1476 CG ASP A 93 -22.349 16.707 -11.464 1.00 35.30 C ATOM 1477 OD1 ASP A 93 -22.384 15.898 -12.416 1.00 21.42 O ATOM 1478 OD2 ASP A 93 -22.828 16.459 -10.338 1.00 64.34 O1- ATOM 0 H ASP A 93 -20.492 20.139 -13.019 1.00 62.03 H new ATOM 0 HA ASP A 93 -20.115 17.204 -12.871 1.00 62.22 H new ATOM 0 HB2 ASP A 93 -21.113 18.325 -10.806 1.00 5.23 H new ATOM 0 HB3 ASP A 93 -22.466 18.815 -11.806 1.00 5.23 H new ATOM 1483 N VAL A 94 -20.948 17.802 -15.322 1.00 13.24 N ATOM 1484 CA VAL A 94 -21.629 17.690 -16.606 1.00 64.21 C ATOM 1485 C VAL A 94 -22.509 16.446 -16.656 1.00 45.30 C ATOM 1486 O VAL A 94 -22.459 15.602 -15.761 1.00 52.10 O ATOM 1487 CB VAL A 94 -20.625 17.643 -17.773 1.00 71.00 C ATOM 1488 CG1 VAL A 94 -19.713 18.860 -17.743 1.00 0.31 C ATOM 1489 CG2 VAL A 94 -19.814 16.357 -17.724 1.00 33.40 C ATOM 0 H VAL A 94 -19.931 17.745 -15.378 1.00 13.24 H new ATOM 0 HA VAL A 94 -22.254 18.577 -16.710 1.00 64.21 H new ATOM 0 HB VAL A 94 -21.182 17.660 -18.710 1.00 71.00 H new ATOM 0 HG11 VAL A 94 -19.011 18.809 -18.575 1.00 0.31 H new ATOM 0 HG12 VAL A 94 -20.313 19.766 -17.829 1.00 0.31 H new ATOM 0 HG13 VAL A 94 -19.161 18.878 -16.803 1.00 0.31 H new ATOM 0 HG21 VAL A 94 -19.109 16.339 -18.555 1.00 33.40 H new ATOM 0 HG22 VAL A 94 -19.266 16.308 -16.783 1.00 33.40 H new ATOM 0 HG23 VAL A 94 -20.485 15.501 -17.799 1.00 33.40 H new ATOM 1499 N LYS A 95 -23.315 16.339 -17.707 1.00 2.14 N ATOM 1500 CA LYS A 95 -24.205 15.198 -17.876 1.00 54.22 C ATOM 1501 C LYS A 95 -23.659 14.232 -18.923 1.00 42.11 C ATOM 1502 O LYS A 95 -23.949 13.036 -18.888 1.00 21.45 O ATOM 1503 CB LYS A 95 -25.603 15.670 -18.283 1.00 45.41 C ATOM 1504 CG LYS A 95 -26.285 16.526 -17.230 1.00 62.51 C ATOM 1505 CD LYS A 95 -27.538 15.856 -16.692 1.00 22.31 C ATOM 1506 CE LYS A 95 -28.563 16.879 -16.229 1.00 64.21 C ATOM 1507 NZ LYS A 95 -29.301 17.482 -17.373 1.00 64.32 N1+ ATOM 0 H LYS A 95 -23.370 17.030 -18.455 1.00 2.14 H new ATOM 0 HA LYS A 95 -24.268 14.675 -16.922 1.00 54.22 H new ATOM 0 HB2 LYS A 95 -25.530 16.238 -19.210 1.00 45.41 H new ATOM 0 HB3 LYS A 95 -26.225 14.800 -18.491 1.00 45.41 H new ATOM 0 HG2 LYS A 95 -25.592 16.716 -16.410 1.00 62.51 H new ATOM 0 HG3 LYS A 95 -26.545 17.494 -17.659 1.00 62.51 H new ATOM 0 HD2 LYS A 95 -27.976 15.226 -17.466 1.00 22.31 H new ATOM 0 HD3 LYS A 95 -27.274 15.202 -15.861 1.00 22.31 H new ATOM 0 HE2 LYS A 95 -29.271 16.402 -15.551 1.00 64.21 H new ATOM 0 HE3 LYS A 95 -28.062 17.666 -15.665 1.00 64.21 H new ATOM 0 HZ1 LYS A 95 -29.990 18.174 -17.016 1.00 64.32 H new ATOM 0 HZ2 LYS A 95 -28.629 17.959 -18.007 1.00 64.32 H new ATOM 0 HZ3 LYS A 95 -29.800 16.735 -17.896 1.00 64.32 H new ATOM 1521 N ASP A 96 -22.866 14.758 -19.850 1.00 33.11 N ATOM 1522 CA ASP A 96 -22.278 13.942 -20.905 1.00 52.41 C ATOM 1523 C ASP A 96 -20.842 14.371 -21.187 1.00 4.11 C ATOM 1524 O ASP A 96 -20.301 15.251 -20.515 1.00 31.53 O ATOM 1525 CB ASP A 96 -23.113 14.041 -22.182 1.00 12.13 C ATOM 1526 CG ASP A 96 -23.532 15.465 -22.491 1.00 22.34 C ATOM 1527 OD1 ASP A 96 -22.746 16.187 -23.141 1.00 71.14 O ATOM 1528 OD2 ASP A 96 -24.645 15.857 -22.083 1.00 30.53 O1- ATOM 0 H ASP A 96 -22.616 15.746 -19.892 1.00 33.11 H new ATOM 0 HA ASP A 96 -22.269 12.906 -20.566 1.00 52.41 H new ATOM 0 HB2 ASP A 96 -22.539 13.644 -23.020 1.00 12.13 H new ATOM 0 HB3 ASP A 96 -24.002 13.418 -22.081 1.00 12.13 H new ATOM 1533 N THR A 97 -20.226 13.744 -22.186 1.00 43.44 N ATOM 1534 CA THR A 97 -18.852 14.060 -22.555 1.00 11.21 C ATOM 1535 C THR A 97 -18.777 15.378 -23.318 1.00 35.22 C ATOM 1536 O THR A 97 -17.806 16.124 -23.194 1.00 70.12 O ATOM 1537 CB THR A 97 -18.232 12.944 -23.416 1.00 1.43 C ATOM 1538 OG1 THR A 97 -18.329 11.688 -22.736 1.00 62.02 O ATOM 1539 CG2 THR A 97 -16.773 13.247 -23.726 1.00 61.45 C ATOM 0 H THR A 97 -20.658 13.015 -22.753 1.00 43.44 H new ATOM 0 HA THR A 97 -18.287 14.149 -21.627 1.00 11.21 H new ATOM 0 HB THR A 97 -18.784 12.892 -24.355 1.00 1.43 H new ATOM 0 HG1 THR A 97 -19.263 11.520 -22.491 1.00 62.02 H new ATOM 0 HG21 THR A 97 -16.356 12.445 -24.335 1.00 61.45 H new ATOM 0 HG22 THR A 97 -16.705 14.189 -24.270 1.00 61.45 H new ATOM 0 HG23 THR A 97 -16.212 13.324 -22.795 1.00 61.45 H new ATOM 1547 N LYS A 98 -19.808 15.657 -24.108 1.00 63.30 N ATOM 1548 CA LYS A 98 -19.861 16.886 -24.892 1.00 12.20 C ATOM 1549 C LYS A 98 -19.839 18.112 -23.984 1.00 32.12 C ATOM 1550 O LYS A 98 -19.028 19.018 -24.170 1.00 61.34 O ATOM 1551 CB LYS A 98 -21.118 16.906 -25.763 1.00 32.40 C ATOM 1552 CG LYS A 98 -20.949 17.683 -27.058 1.00 44.22 C ATOM 1553 CD LYS A 98 -22.100 18.651 -27.281 1.00 44.42 C ATOM 1554 CE LYS A 98 -21.757 19.689 -28.339 1.00 42.51 C ATOM 1555 NZ LYS A 98 -22.627 20.893 -28.236 1.00 63.12 N1+ ATOM 0 H LYS A 98 -20.619 15.049 -24.223 1.00 63.30 H new ATOM 0 HA LYS A 98 -18.981 16.916 -25.535 1.00 12.20 H new ATOM 0 HB2 LYS A 98 -21.403 15.881 -25.999 1.00 32.40 H new ATOM 0 HB3 LYS A 98 -21.938 17.341 -25.192 1.00 32.40 H new ATOM 0 HG2 LYS A 98 -20.009 18.234 -27.033 1.00 44.22 H new ATOM 0 HG3 LYS A 98 -20.889 16.988 -27.895 1.00 44.22 H new ATOM 0 HD2 LYS A 98 -22.988 18.098 -27.587 1.00 44.42 H new ATOM 0 HD3 LYS A 98 -22.343 19.152 -26.344 1.00 44.42 H new ATOM 0 HE2 LYS A 98 -20.713 19.985 -28.233 1.00 42.51 H new ATOM 0 HE3 LYS A 98 -21.864 19.247 -29.330 1.00 42.51 H new ATOM 0 HZ1 LYS A 98 -22.362 21.577 -28.974 1.00 63.12 H new ATOM 0 HZ2 LYS A 98 -23.621 20.615 -28.362 1.00 63.12 H new ATOM 0 HZ3 LYS A 98 -22.506 21.330 -27.300 1.00 63.12 H new ATOM 1569 N GLU A 99 -20.735 18.130 -23.002 1.00 44.55 N ATOM 1570 CA GLU A 99 -20.817 19.245 -22.065 1.00 1.45 C ATOM 1571 C GLU A 99 -19.456 19.526 -21.433 1.00 72.10 C ATOM 1572 O GLU A 99 -19.035 20.677 -21.326 1.00 24.45 O ATOM 1573 CB GLU A 99 -21.846 18.947 -20.973 1.00 64.43 C ATOM 1574 CG GLU A 99 -23.132 19.745 -21.115 1.00 21.24 C ATOM 1575 CD GLU A 99 -23.807 19.529 -22.455 1.00 33.20 C ATOM 1576 OE1 GLU A 99 -24.608 18.577 -22.569 1.00 63.55 O ATOM 1577 OE2 GLU A 99 -23.535 20.310 -23.391 1.00 41.12 O1- ATOM 0 H GLU A 99 -21.413 17.387 -22.835 1.00 44.55 H new ATOM 0 HA GLU A 99 -21.131 20.130 -22.619 1.00 1.45 H new ATOM 0 HB2 GLU A 99 -22.084 17.884 -20.990 1.00 64.43 H new ATOM 0 HB3 GLU A 99 -21.403 19.158 -20.000 1.00 64.43 H new ATOM 0 HG2 GLU A 99 -23.819 19.465 -20.317 1.00 21.24 H new ATOM 0 HG3 GLU A 99 -22.913 20.805 -20.989 1.00 21.24 H new ATOM 1584 N ALA A 100 -18.775 18.465 -21.014 1.00 12.41 N ATOM 1585 CA ALA A 100 -17.461 18.595 -20.394 1.00 65.23 C ATOM 1586 C ALA A 100 -16.470 19.259 -21.344 1.00 32.11 C ATOM 1587 O ALA A 100 -15.502 19.886 -20.909 1.00 73.52 O ATOM 1588 CB ALA A 100 -16.946 17.233 -19.957 1.00 22.21 C ATOM 0 H ALA A 100 -19.111 17.505 -21.092 1.00 12.41 H new ATOM 0 HA ALA A 100 -17.563 19.231 -19.514 1.00 65.23 H new ATOM 0 HB1 ALA A 100 -15.965 17.346 -19.496 1.00 22.21 H new ATOM 0 HB2 ALA A 100 -17.637 16.797 -19.236 1.00 22.21 H new ATOM 0 HB3 ALA A 100 -16.866 16.579 -20.825 1.00 22.21 H new ATOM 1594 N LEU A 101 -16.716 19.117 -22.641 1.00 11.14 N ATOM 1595 CA LEU A 101 -15.843 19.702 -23.654 1.00 71.42 C ATOM 1596 C LEU A 101 -16.072 21.206 -23.767 1.00 30.13 C ATOM 1597 O LEU A 101 -15.130 21.995 -23.689 1.00 62.02 O ATOM 1598 CB LEU A 101 -16.083 19.036 -25.010 1.00 14.52 C ATOM 1599 CG LEU A 101 -14.837 18.533 -25.740 1.00 2.42 C ATOM 1600 CD1 LEU A 101 -13.947 19.699 -26.140 1.00 24.43 C ATOM 1601 CD2 LEU A 101 -14.070 17.548 -24.871 1.00 14.45 C ATOM 0 H LEU A 101 -17.512 18.602 -23.017 1.00 11.14 H new ATOM 0 HA LEU A 101 -14.810 19.531 -23.350 1.00 71.42 H new ATOM 0 HB2 LEU A 101 -16.759 18.194 -24.864 1.00 14.52 H new ATOM 0 HB3 LEU A 101 -16.596 19.748 -25.656 1.00 14.52 H new ATOM 0 HG LEU A 101 -15.154 18.016 -26.646 1.00 2.42 H new ATOM 0 HD11 LEU A 101 -13.065 19.322 -26.658 1.00 24.43 H new ATOM 0 HD12 LEU A 101 -14.498 20.368 -26.801 1.00 24.43 H new ATOM 0 HD13 LEU A 101 -13.638 20.244 -25.248 1.00 24.43 H new ATOM 0 HD21 LEU A 101 -13.187 17.201 -25.407 1.00 14.45 H new ATOM 0 HD22 LEU A 101 -13.764 18.039 -23.947 1.00 14.45 H new ATOM 0 HD23 LEU A 101 -14.709 16.697 -24.635 1.00 14.45 H new ATOM 1613 N ASP A 102 -17.329 21.595 -23.948 1.00 24.43 N ATOM 1614 CA ASP A 102 -17.683 23.005 -24.069 1.00 44.31 C ATOM 1615 C ASP A 102 -17.194 23.793 -22.857 1.00 61.11 C ATOM 1616 O ASP A 102 -16.880 24.980 -22.960 1.00 52.24 O ATOM 1617 CB ASP A 102 -19.197 23.162 -24.218 1.00 42.23 C ATOM 1618 CG ASP A 102 -19.585 23.813 -25.531 1.00 4.10 C ATOM 1619 OD1 ASP A 102 -19.009 24.871 -25.860 1.00 23.50 O1- ATOM 1620 OD2 ASP A 102 -20.466 23.266 -26.227 1.00 2.14 O ATOM 0 H ASP A 102 -18.120 20.954 -24.014 1.00 24.43 H new ATOM 0 HA ASP A 102 -17.196 23.402 -24.959 1.00 44.31 H new ATOM 0 HB2 ASP A 102 -19.670 22.182 -24.148 1.00 42.23 H new ATOM 0 HB3 ASP A 102 -19.580 23.761 -23.392 1.00 42.23 H new ATOM 1625 N LYS A 103 -17.133 23.126 -21.710 1.00 50.22 N ATOM 1626 CA LYS A 103 -16.683 23.763 -20.478 1.00 41.40 C ATOM 1627 C LYS A 103 -15.172 23.970 -20.492 1.00 30.23 C ATOM 1628 O LYS A 103 -14.690 25.100 -20.416 1.00 1.22 O ATOM 1629 CB LYS A 103 -17.080 22.915 -19.266 1.00 34.42 C ATOM 1630 CG LYS A 103 -17.165 23.705 -17.972 1.00 63.32 C ATOM 1631 CD LYS A 103 -18.606 24.018 -17.604 1.00 52.24 C ATOM 1632 CE LYS A 103 -19.107 25.265 -18.316 1.00 10.34 C ATOM 1633 NZ LYS A 103 -19.702 26.245 -17.366 1.00 14.05 N1+ ATOM 0 H LYS A 103 -17.390 22.144 -21.608 1.00 50.22 H new ATOM 0 HA LYS A 103 -17.165 24.738 -20.406 1.00 41.40 H new ATOM 0 HB2 LYS A 103 -18.045 22.448 -19.461 1.00 34.42 H new ATOM 0 HB3 LYS A 103 -16.355 22.110 -19.143 1.00 34.42 H new ATOM 0 HG2 LYS A 103 -16.698 23.138 -17.167 1.00 63.32 H new ATOM 0 HG3 LYS A 103 -16.604 24.634 -18.074 1.00 63.32 H new ATOM 0 HD2 LYS A 103 -19.241 23.171 -17.863 1.00 52.24 H new ATOM 0 HD3 LYS A 103 -18.685 24.157 -16.526 1.00 52.24 H new ATOM 0 HE2 LYS A 103 -18.281 25.734 -18.852 1.00 10.34 H new ATOM 0 HE3 LYS A 103 -19.851 24.984 -19.061 1.00 10.34 H new ATOM 0 HZ1 LYS A 103 -20.031 27.081 -17.890 1.00 14.05 H new ATOM 0 HZ2 LYS A 103 -20.506 25.806 -16.873 1.00 14.05 H new ATOM 0 HZ3 LYS A 103 -18.985 26.533 -16.670 1.00 14.05 H new ATOM 1647 N ILE A 104 -14.430 22.872 -20.593 1.00 4.54 N ATOM 1648 CA ILE A 104 -12.973 22.934 -20.621 1.00 64.14 C ATOM 1649 C ILE A 104 -12.484 23.826 -21.758 1.00 11.34 C ATOM 1650 O ILE A 104 -11.415 24.430 -21.668 1.00 62.24 O ATOM 1651 CB ILE A 104 -12.353 21.534 -20.778 1.00 10.10 C ATOM 1652 CG1 ILE A 104 -12.805 20.621 -19.635 1.00 24.44 C ATOM 1653 CG2 ILE A 104 -10.835 21.629 -20.818 1.00 32.12 C ATOM 1654 CD1 ILE A 104 -12.579 19.151 -19.912 1.00 52.22 C ATOM 0 H ILE A 104 -14.813 21.929 -20.657 1.00 4.54 H new ATOM 0 HA ILE A 104 -12.656 23.357 -19.668 1.00 64.14 H new ATOM 0 HB ILE A 104 -12.696 21.104 -21.719 1.00 10.10 H new ATOM 0 HG12 ILE A 104 -12.270 20.898 -18.726 1.00 24.44 H new ATOM 0 HG13 ILE A 104 -13.865 20.788 -19.445 1.00 24.44 H new ATOM 0 HG21 ILE A 104 -10.411 20.631 -20.929 1.00 32.12 H new ATOM 0 HG22 ILE A 104 -10.531 22.249 -21.662 1.00 32.12 H new ATOM 0 HG23 ILE A 104 -10.474 22.075 -19.892 1.00 32.12 H new ATOM 0 HD11 ILE A 104 -12.922 18.563 -19.060 1.00 52.22 H new ATOM 0 HD12 ILE A 104 -13.136 18.859 -20.802 1.00 52.22 H new ATOM 0 HD13 ILE A 104 -11.516 18.970 -20.073 1.00 52.22 H new ATOM 1666 N GLU A 105 -13.272 23.902 -22.825 1.00 70.52 N ATOM 1667 CA GLU A 105 -12.918 24.721 -23.978 1.00 72.43 C ATOM 1668 C GLU A 105 -13.051 26.206 -23.653 1.00 72.10 C ATOM 1669 O GLU A 105 -12.099 26.971 -23.800 1.00 0.01 O ATOM 1670 CB GLU A 105 -13.806 24.367 -25.174 1.00 42.32 C ATOM 1671 CG GLU A 105 -13.505 25.186 -26.418 1.00 62.13 C ATOM 1672 CD GLU A 105 -12.991 24.337 -27.564 1.00 35.52 C ATOM 1673 OE1 GLU A 105 -12.156 23.443 -27.313 1.00 5.51 O ATOM 1674 OE2 GLU A 105 -13.423 24.566 -28.713 1.00 70.41 O1- ATOM 0 H GLU A 105 -14.159 23.407 -22.915 1.00 70.52 H new ATOM 0 HA GLU A 105 -11.878 24.515 -24.232 1.00 72.43 H new ATOM 0 HB2 GLU A 105 -13.683 23.309 -25.407 1.00 42.32 H new ATOM 0 HB3 GLU A 105 -14.850 24.513 -24.897 1.00 42.32 H new ATOM 0 HG2 GLU A 105 -14.409 25.707 -26.733 1.00 62.13 H new ATOM 0 HG3 GLU A 105 -12.766 25.949 -26.176 1.00 62.13 H new ATOM 1681 N GLU A 106 -14.241 26.605 -23.213 1.00 50.42 N ATOM 1682 CA GLU A 106 -14.498 27.998 -22.868 1.00 30.34 C ATOM 1683 C GLU A 106 -13.560 28.467 -21.761 1.00 70.15 C ATOM 1684 O GLU A 106 -13.145 29.626 -21.734 1.00 33.54 O ATOM 1685 CB GLU A 106 -15.953 28.177 -22.430 1.00 64.42 C ATOM 1686 CG GLU A 106 -16.594 29.453 -22.951 1.00 12.24 C ATOM 1687 CD GLU A 106 -18.108 29.386 -22.954 1.00 71.55 C ATOM 1688 OE1 GLU A 106 -18.674 28.791 -23.896 1.00 70.13 O1- ATOM 1689 OE2 GLU A 106 -18.728 29.928 -22.015 1.00 2.31 O ATOM 0 H GLU A 106 -15.040 25.984 -23.087 1.00 50.42 H new ATOM 0 HA GLU A 106 -14.316 28.605 -23.755 1.00 30.34 H new ATOM 0 HB2 GLU A 106 -16.535 27.322 -22.774 1.00 64.42 H new ATOM 0 HB3 GLU A 106 -15.998 28.176 -21.341 1.00 64.42 H new ATOM 0 HG2 GLU A 106 -16.273 30.294 -22.336 1.00 12.24 H new ATOM 0 HG3 GLU A 106 -16.241 29.645 -23.964 1.00 12.24 H new ATOM 1696 N GLU A 107 -13.231 27.560 -20.847 1.00 14.21 N ATOM 1697 CA GLU A 107 -12.342 27.881 -19.736 1.00 71.53 C ATOM 1698 C GLU A 107 -11.005 28.409 -20.245 1.00 11.43 C ATOM 1699 O GLU A 107 -10.353 29.216 -19.583 1.00 45.01 O ATOM 1700 CB GLU A 107 -12.117 26.646 -18.861 1.00 51.25 C ATOM 1701 CG GLU A 107 -12.808 26.723 -17.510 1.00 63.15 C ATOM 1702 CD GLU A 107 -12.579 25.485 -16.665 1.00 53.02 C ATOM 1703 OE1 GLU A 107 -11.403 25.160 -16.397 1.00 40.34 O ATOM 1704 OE2 GLU A 107 -13.575 24.841 -16.274 1.00 14.44 O1- ATOM 0 H GLU A 107 -13.567 26.597 -20.854 1.00 14.21 H new ATOM 0 HA GLU A 107 -12.816 28.659 -19.138 1.00 71.53 H new ATOM 0 HB2 GLU A 107 -12.475 25.764 -19.393 1.00 51.25 H new ATOM 0 HB3 GLU A 107 -11.047 26.512 -18.705 1.00 51.25 H new ATOM 0 HG2 GLU A 107 -12.446 27.598 -16.971 1.00 63.15 H new ATOM 0 HG3 GLU A 107 -13.878 26.862 -17.661 1.00 63.15 H new ATOM 1711 N GLN A 108 -10.602 27.946 -21.424 1.00 54.20 N ATOM 1712 CA GLN A 108 -9.341 28.371 -22.020 1.00 32.03 C ATOM 1713 C GLN A 108 -9.538 29.611 -22.885 1.00 73.42 C ATOM 1714 O GLN A 108 -8.632 30.431 -23.027 1.00 12.02 O ATOM 1715 CB GLN A 108 -8.743 27.239 -22.859 1.00 64.22 C ATOM 1716 CG GLN A 108 -7.938 26.239 -22.046 1.00 14.11 C ATOM 1717 CD GLN A 108 -6.457 26.562 -22.023 1.00 62.44 C ATOM 1718 OE1 GLN A 108 -5.754 26.373 -23.016 1.00 4.01 O ATOM 1719 NE2 GLN A 108 -5.975 27.052 -20.887 1.00 52.22 N ATOM 0 H GLN A 108 -11.130 27.277 -21.985 1.00 54.20 H new ATOM 0 HA GLN A 108 -8.652 28.620 -21.213 1.00 32.03 H new ATOM 0 HB2 GLN A 108 -9.549 26.713 -23.371 1.00 64.22 H new ATOM 0 HB3 GLN A 108 -8.102 27.668 -23.629 1.00 64.22 H new ATOM 0 HG2 GLN A 108 -8.317 26.218 -21.024 1.00 14.11 H new ATOM 0 HG3 GLN A 108 -8.082 25.241 -22.460 1.00 14.11 H new ATOM 0 HE21 GLN A 108 -6.594 27.192 -20.089 1.00 52.22 H new ATOM 0 HE22 GLN A 108 -4.985 27.288 -20.813 1.00 52.22 H new ATOM 1728 N ASN A 109 -10.729 29.742 -23.461 1.00 0.44 N ATOM 1729 CA ASN A 109 -11.045 30.883 -24.313 1.00 72.00 C ATOM 1730 C ASN A 109 -11.196 32.154 -23.484 1.00 24.21 C ATOM 1731 O ASN A 109 -10.867 33.250 -23.941 1.00 30.13 O ATOM 1732 CB ASN A 109 -12.329 30.618 -25.100 1.00 32.23 C ATOM 1733 CG ASN A 109 -12.056 30.256 -26.547 1.00 31.24 C ATOM 1734 OD1 ASN A 109 -12.426 29.176 -27.009 1.00 20.44 O ATOM 1735 ND2 ASN A 109 -11.406 31.160 -27.270 1.00 62.12 N ATOM 0 H ASN A 109 -11.491 29.072 -23.353 1.00 0.44 H new ATOM 0 HA ASN A 109 -10.221 31.022 -25.013 1.00 72.00 H new ATOM 0 HB2 ASN A 109 -12.883 29.809 -24.624 1.00 32.23 H new ATOM 0 HB3 ASN A 109 -12.964 31.503 -25.063 1.00 32.23 H new ATOM 0 HD21 ASN A 109 -11.194 30.973 -28.250 1.00 62.12 H new ATOM 0 HD22 ASN A 109 -11.118 32.042 -26.845 1.00 62.12 H new ATOM 1742 N LYS A 110 -11.697 32.002 -22.263 1.00 44.32 N ATOM 1743 CA LYS A 110 -11.891 33.138 -21.368 1.00 34.23 C ATOM 1744 C LYS A 110 -10.556 33.785 -21.014 1.00 63.23 C ATOM 1745 O LYS A 110 -10.467 35.004 -20.865 1.00 1.24 O ATOM 1746 CB LYS A 110 -12.608 32.690 -20.092 1.00 22.35 C ATOM 1747 CG LYS A 110 -13.807 33.551 -19.736 1.00 71.20 C ATOM 1748 CD LYS A 110 -14.941 32.718 -19.164 1.00 73.10 C ATOM 1749 CE LYS A 110 -16.112 33.589 -18.735 1.00 54.23 C ATOM 1750 NZ LYS A 110 -16.772 33.065 -17.507 1.00 53.53 N1+ ATOM 0 H LYS A 110 -11.976 31.103 -21.870 1.00 44.32 H new ATOM 0 HA LYS A 110 -12.506 33.875 -21.884 1.00 34.23 H new ATOM 0 HB2 LYS A 110 -12.935 31.657 -20.212 1.00 22.35 H new ATOM 0 HB3 LYS A 110 -11.901 32.706 -19.263 1.00 22.35 H new ATOM 0 HG2 LYS A 110 -13.510 34.309 -19.011 1.00 71.20 H new ATOM 0 HG3 LYS A 110 -14.154 34.078 -20.625 1.00 71.20 H new ATOM 0 HD2 LYS A 110 -15.276 31.997 -19.910 1.00 73.10 H new ATOM 0 HD3 LYS A 110 -14.579 32.147 -18.309 1.00 73.10 H new ATOM 0 HE2 LYS A 110 -15.762 34.605 -18.554 1.00 54.23 H new ATOM 0 HE3 LYS A 110 -16.840 33.643 -19.544 1.00 54.23 H new ATOM 0 HZ1 LYS A 110 -17.565 33.686 -17.247 1.00 53.53 H new ATOM 0 HZ2 LYS A 110 -17.129 32.105 -17.687 1.00 53.53 H new ATOM 0 HZ3 LYS A 110 -16.084 33.038 -16.728 1.00 53.53 H new ATOM 1764 N SER A 111 -9.521 32.962 -20.880 1.00 54.41 N ATOM 1765 CA SER A 111 -8.191 33.455 -20.541 1.00 50.34 C ATOM 1766 C SER A 111 -7.493 34.027 -21.771 1.00 41.31 C ATOM 1767 O SER A 111 -6.805 35.045 -21.691 1.00 70.42 O ATOM 1768 CB SER A 111 -7.346 32.331 -19.938 1.00 51.55 C ATOM 1769 OG SER A 111 -6.781 32.725 -18.700 1.00 44.10 O ATOM 0 H SER A 111 -9.578 31.951 -21.001 1.00 54.41 H new ATOM 0 HA SER A 111 -8.303 34.251 -19.805 1.00 50.34 H new ATOM 0 HB2 SER A 111 -7.964 31.445 -19.793 1.00 51.55 H new ATOM 0 HB3 SER A 111 -6.552 32.056 -20.632 1.00 51.55 H new ATOM 0 HG SER A 111 -6.247 31.989 -18.335 1.00 44.10 H new ATOM 1775 N LYS A 112 -7.676 33.365 -22.908 1.00 21.23 N ATOM 1776 CA LYS A 112 -7.066 33.806 -24.157 1.00 43.30 C ATOM 1777 C LYS A 112 -7.606 35.170 -24.574 1.00 73.43 C ATOM 1778 O LYS A 112 -6.850 36.051 -24.982 1.00 22.43 O ATOM 1779 CB LYS A 112 -7.324 32.782 -25.264 1.00 64.52 C ATOM 1780 CG LYS A 112 -6.134 32.565 -26.182 1.00 5.21 C ATOM 1781 CD LYS A 112 -6.499 31.692 -27.371 1.00 11.14 C ATOM 1782 CE LYS A 112 -5.605 30.464 -27.457 1.00 4.33 C ATOM 1783 NZ LYS A 112 -6.009 29.416 -26.479 1.00 1.15 N1+ ATOM 0 H LYS A 112 -8.242 32.521 -22.991 1.00 21.23 H new ATOM 0 HA LYS A 112 -5.991 33.894 -23.997 1.00 43.30 H new ATOM 0 HB2 LYS A 112 -7.600 31.830 -24.810 1.00 64.52 H new ATOM 0 HB3 LYS A 112 -8.176 33.110 -25.859 1.00 64.52 H new ATOM 0 HG2 LYS A 112 -5.766 33.528 -26.536 1.00 5.21 H new ATOM 0 HG3 LYS A 112 -5.322 32.099 -25.623 1.00 5.21 H new ATOM 0 HD2 LYS A 112 -7.540 31.380 -27.289 1.00 11.14 H new ATOM 0 HD3 LYS A 112 -6.412 32.272 -28.290 1.00 11.14 H new ATOM 0 HE2 LYS A 112 -5.646 30.054 -28.466 1.00 4.33 H new ATOM 0 HE3 LYS A 112 -4.571 30.754 -27.273 1.00 4.33 H new ATOM 0 HZ1 LYS A 112 -5.376 28.595 -26.568 1.00 1.15 H new ATOM 0 HZ2 LYS A 112 -5.946 29.799 -25.514 1.00 1.15 H new ATOM 0 HZ3 LYS A 112 -6.988 29.121 -26.671 1.00 1.15 H new ATOM 1797 N LYS A 113 -8.920 35.338 -24.468 1.00 61.22 N ATOM 1798 CA LYS A 113 -9.564 36.595 -24.831 1.00 24.14 C ATOM 1799 C LYS A 113 -8.965 37.759 -24.047 1.00 33.41 C ATOM 1800 O LYS A 113 -8.754 38.843 -24.591 1.00 65.12 O ATOM 1801 CB LYS A 113 -11.070 36.515 -24.574 1.00 14.05 C ATOM 1802 CG LYS A 113 -11.843 37.708 -25.108 1.00 72.41 C ATOM 1803 CD LYS A 113 -12.418 38.549 -23.981 1.00 31.22 C ATOM 1804 CE LYS A 113 -13.263 39.694 -24.516 1.00 63.13 C ATOM 1805 NZ LYS A 113 -13.204 40.890 -23.629 1.00 1.42 N1+ ATOM 0 H LYS A 113 -9.560 34.618 -24.133 1.00 61.22 H new ATOM 0 HA LYS A 113 -9.393 36.768 -25.893 1.00 24.14 H new ATOM 0 HB2 LYS A 113 -11.460 35.606 -25.031 1.00 14.05 H new ATOM 0 HB3 LYS A 113 -11.243 36.432 -23.501 1.00 14.05 H new ATOM 0 HG2 LYS A 113 -11.186 38.323 -25.723 1.00 72.41 H new ATOM 0 HG3 LYS A 113 -12.650 37.361 -25.753 1.00 72.41 H new ATOM 0 HD2 LYS A 113 -13.025 37.920 -23.330 1.00 31.22 H new ATOM 0 HD3 LYS A 113 -11.606 38.948 -23.372 1.00 31.22 H new ATOM 0 HE2 LYS A 113 -12.918 39.965 -25.514 1.00 63.13 H new ATOM 0 HE3 LYS A 113 -14.298 39.366 -24.615 1.00 63.13 H new ATOM 0 HZ1 LYS A 113 -13.793 41.648 -24.029 1.00 1.42 H new ATOM 0 HZ2 LYS A 113 -13.557 40.639 -22.684 1.00 1.42 H new ATOM 0 HZ3 LYS A 113 -12.220 41.219 -23.555 1.00 1.42 H new ATOM 1819 N LYS A 114 -8.693 37.527 -22.769 1.00 43.42 N ATOM 1820 CA LYS A 114 -8.115 38.554 -21.909 1.00 71.53 C ATOM 1821 C LYS A 114 -6.745 38.985 -22.422 1.00 33.24 C ATOM 1822 O LYS A 114 -6.439 40.176 -22.478 1.00 74.44 O ATOM 1823 CB LYS A 114 -7.996 38.039 -20.474 1.00 64.15 C ATOM 1824 CG LYS A 114 -8.858 38.800 -19.481 1.00 12.02 C ATOM 1825 CD LYS A 114 -9.879 37.891 -18.817 1.00 21.01 C ATOM 1826 CE LYS A 114 -10.337 38.450 -17.479 1.00 4.21 C ATOM 1827 NZ LYS A 114 -11.768 38.140 -17.209 1.00 1.42 N1+ ATOM 0 H LYS A 114 -8.863 36.635 -22.304 1.00 43.42 H new ATOM 0 HA LYS A 114 -8.777 39.420 -21.923 1.00 71.53 H new ATOM 0 HB2 LYS A 114 -8.274 36.985 -20.451 1.00 64.15 H new ATOM 0 HB3 LYS A 114 -6.954 38.101 -20.160 1.00 64.15 H new ATOM 0 HG2 LYS A 114 -8.223 39.253 -18.719 1.00 12.02 H new ATOM 0 HG3 LYS A 114 -9.372 39.613 -19.993 1.00 12.02 H new ATOM 0 HD2 LYS A 114 -10.740 37.767 -19.475 1.00 21.01 H new ATOM 0 HD3 LYS A 114 -9.446 36.902 -18.670 1.00 21.01 H new ATOM 0 HE2 LYS A 114 -9.719 38.036 -16.682 1.00 4.21 H new ATOM 0 HE3 LYS A 114 -10.191 39.530 -17.468 1.00 4.21 H new ATOM 0 HZ1 LYS A 114 -12.042 38.538 -16.288 1.00 1.42 H new ATOM 0 HZ2 LYS A 114 -12.360 38.556 -17.956 1.00 1.42 H new ATOM 0 HZ3 LYS A 114 -11.903 37.109 -17.194 1.00 1.42 H new ATOM 1841 N ALA A 115 -5.925 38.009 -22.797 1.00 44.33 N ATOM 1842 CA ALA A 115 -4.589 38.289 -23.308 1.00 74.01 C ATOM 1843 C ALA A 115 -4.644 39.241 -24.498 1.00 33.12 C ATOM 1844 O ALA A 115 -3.797 40.122 -24.638 1.00 33.34 O ATOM 1845 CB ALA A 115 -3.891 36.994 -23.698 1.00 34.42 C ATOM 0 H ALA A 115 -6.162 37.018 -22.757 1.00 44.33 H new ATOM 0 HA ALA A 115 -4.018 38.773 -22.515 1.00 74.01 H new ATOM 0 HB1 ALA A 115 -2.894 37.218 -24.078 1.00 34.42 H new ATOM 0 HB2 ALA A 115 -3.809 36.347 -22.824 1.00 34.42 H new ATOM 0 HB3 ALA A 115 -4.469 36.488 -24.471 1.00 34.42 H new ATOM 1851 N GLN A 116 -5.646 39.056 -25.351 1.00 20.41 N ATOM 1852 CA GLN A 116 -5.810 39.899 -26.530 1.00 63.24 C ATOM 1853 C GLN A 116 -6.291 41.293 -26.140 1.00 2.11 C ATOM 1854 O GLN A 116 -5.567 42.275 -26.296 1.00 70.01 O ATOM 1855 CB GLN A 116 -6.800 39.260 -27.506 1.00 13.32 C ATOM 1856 CG GLN A 116 -6.322 37.934 -28.075 1.00 12.22 C ATOM 1857 CD GLN A 116 -5.600 38.091 -29.398 1.00 25.13 C ATOM 1858 OE1 GLN A 116 -6.109 37.696 -30.447 1.00 22.04 O ATOM 1859 NE2 GLN A 116 -4.407 38.672 -29.356 1.00 23.40 N ATOM 0 H GLN A 116 -6.356 38.331 -25.248 1.00 20.41 H new ATOM 0 HA GLN A 116 -4.839 39.992 -27.017 1.00 63.24 H new ATOM 0 HB2 GLN A 116 -7.751 39.106 -26.997 1.00 13.32 H new ATOM 0 HB3 GLN A 116 -6.986 39.952 -28.327 1.00 13.32 H new ATOM 0 HG2 GLN A 116 -5.656 37.454 -27.357 1.00 12.22 H new ATOM 0 HG3 GLN A 116 -7.177 37.271 -28.209 1.00 12.22 H new ATOM 0 HE21 GLN A 116 -4.023 38.984 -28.464 1.00 23.40 H new ATOM 0 HE22 GLN A 116 -3.874 38.806 -30.216 1.00 23.40 H new ATOM 1868 N GLN A 117 -7.517 41.370 -25.633 1.00 41.53 N ATOM 1869 CA GLN A 117 -8.094 42.644 -25.221 1.00 21.30 C ATOM 1870 C GLN A 117 -8.045 43.657 -26.361 1.00 44.42 C ATOM 1871 O GLN A 117 -7.995 44.865 -26.129 1.00 75.44 O ATOM 1872 CB GLN A 117 -7.353 43.195 -24.002 1.00 13.31 C ATOM 1873 CG GLN A 117 -8.261 43.885 -22.998 1.00 64.43 C ATOM 1874 CD GLN A 117 -9.377 42.985 -22.503 1.00 22.32 C ATOM 1875 OE1 GLN A 117 -10.505 43.051 -22.992 1.00 51.45 O ATOM 1876 NE2 GLN A 117 -9.066 42.137 -21.529 1.00 21.43 N ATOM 0 H GLN A 117 -8.130 40.566 -25.498 1.00 41.53 H new ATOM 0 HA GLN A 117 -9.137 42.472 -24.955 1.00 21.30 H new ATOM 0 HB2 GLN A 117 -6.831 42.378 -23.505 1.00 13.31 H new ATOM 0 HB3 GLN A 117 -6.594 43.901 -24.338 1.00 13.31 H new ATOM 0 HG2 GLN A 117 -7.667 44.221 -22.148 1.00 64.43 H new ATOM 0 HG3 GLN A 117 -8.693 44.774 -23.457 1.00 64.43 H new ATOM 0 HE21 GLN A 117 -8.118 42.117 -21.154 1.00 21.43 H new ATOM 0 HE22 GLN A 117 -9.775 41.506 -21.156 1.00 21.43 H new ATOM 1885 N ALA A 118 -8.059 43.157 -27.592 1.00 13.32 N ATOM 1886 CA ALA A 118 -8.017 44.018 -28.766 1.00 31.54 C ATOM 1887 C ALA A 118 -8.246 43.216 -30.043 1.00 1.22 C ATOM 1888 O ALA A 118 -8.991 43.638 -30.927 1.00 1.21 O ATOM 1889 CB ALA A 118 -6.687 44.754 -28.835 1.00 70.31 C ATOM 0 H ALA A 118 -8.099 42.160 -27.802 1.00 13.32 H new ATOM 0 HA ALA A 118 -8.820 44.750 -28.678 1.00 31.54 H new ATOM 0 HB1 ALA A 118 -6.670 45.393 -29.718 1.00 70.31 H new ATOM 0 HB2 ALA A 118 -6.563 45.366 -27.941 1.00 70.31 H new ATOM 0 HB3 ALA A 118 -5.874 44.031 -28.896 1.00 70.31 H new ATOM 1895 N ALA A 119 -7.599 42.058 -30.134 1.00 50.04 N ATOM 1896 CA ALA A 119 -7.735 41.197 -31.301 1.00 14.35 C ATOM 1897 C ALA A 119 -8.751 40.087 -31.051 1.00 25.23 C ATOM 1898 O ALA A 119 -8.689 39.025 -31.670 1.00 22.51 O ATOM 1899 CB ALA A 119 -6.384 40.604 -31.678 1.00 33.21 C ATOM 0 H ALA A 119 -6.976 41.695 -29.413 1.00 50.04 H new ATOM 0 HA ALA A 119 -8.098 41.805 -32.130 1.00 14.35 H new ATOM 0 HB1 ALA A 119 -6.499 39.962 -32.552 1.00 33.21 H new ATOM 0 HB2 ALA A 119 -5.685 41.408 -31.908 1.00 33.21 H new ATOM 0 HB3 ALA A 119 -5.999 40.016 -30.845 1.00 33.21 H new ATOM 1905 N ALA A 120 -9.684 40.341 -30.141 1.00 42.22 N ATOM 1906 CA ALA A 120 -10.715 39.365 -29.810 1.00 33.24 C ATOM 1907 C ALA A 120 -12.061 39.765 -30.405 1.00 54.13 C ATOM 1908 O ALA A 120 -12.914 38.915 -30.661 1.00 70.44 O ATOM 1909 CB ALA A 120 -10.828 39.207 -28.301 1.00 34.20 C ATOM 0 H ALA A 120 -9.748 41.215 -29.619 1.00 42.22 H new ATOM 0 HA ALA A 120 -10.426 38.407 -30.243 1.00 33.24 H new ATOM 0 HB1 ALA A 120 -11.602 38.475 -28.069 1.00 34.20 H new ATOM 0 HB2 ALA A 120 -9.874 38.867 -27.898 1.00 34.20 H new ATOM 0 HB3 ALA A 120 -11.089 40.166 -27.853 1.00 34.20 H new ATOM 1915 N ASP A 121 -12.245 41.062 -30.621 1.00 63.32 N ATOM 1916 CA ASP A 121 -13.488 41.575 -31.185 1.00 13.24 C ATOM 1917 C ASP A 121 -13.272 42.077 -32.609 1.00 33.23 C ATOM 1918 O ASP A 121 -13.314 43.280 -32.870 1.00 53.22 O ATOM 1919 CB ASP A 121 -14.043 42.703 -30.313 1.00 52.20 C ATOM 1920 CG ASP A 121 -15.489 43.023 -30.632 1.00 41.13 C ATOM 1921 OD1 ASP A 121 -15.817 43.160 -31.830 1.00 41.03 O ATOM 1922 OD2 ASP A 121 -16.295 43.135 -29.685 1.00 40.54 O1- ATOM 0 H ASP A 121 -11.549 41.778 -30.414 1.00 63.32 H new ATOM 0 HA ASP A 121 -14.209 40.758 -31.211 1.00 13.24 H new ATOM 0 HB2 ASP A 121 -13.959 42.422 -29.263 1.00 52.20 H new ATOM 0 HB3 ASP A 121 -13.437 43.598 -30.452 1.00 52.20 H new ATOM 1927 N THR A 122 -13.038 41.146 -33.531 1.00 62.14 N ATOM 1928 CA THR A 122 -12.813 41.493 -34.928 1.00 1.24 C ATOM 1929 C THR A 122 -13.981 42.295 -35.491 1.00 71.15 C ATOM 1930 O THR A 122 -15.114 42.165 -35.030 1.00 60.04 O ATOM 1931 CB THR A 122 -12.604 40.236 -35.792 1.00 12.10 C ATOM 1932 OG1 THR A 122 -13.495 39.197 -35.370 1.00 13.13 O ATOM 1933 CG2 THR A 122 -11.167 39.747 -35.699 1.00 4.44 C ATOM 0 H THR A 122 -13.000 40.146 -33.334 1.00 62.14 H new ATOM 0 HA THR A 122 -11.909 42.102 -34.961 1.00 1.24 H new ATOM 0 HB THR A 122 -12.816 40.497 -36.829 1.00 12.10 H new ATOM 0 HG1 THR A 122 -13.357 38.402 -35.926 1.00 13.13 H new ATOM 0 HG21 THR A 122 -11.044 38.858 -36.318 1.00 4.44 H new ATOM 0 HG22 THR A 122 -10.493 40.529 -36.049 1.00 4.44 H new ATOM 0 HG23 THR A 122 -10.932 39.503 -34.663 1.00 4.44 H new ATOM 1941 N GLY A 123 -13.697 43.123 -36.491 1.00 44.53 N ATOM 1942 CA GLY A 123 -14.736 43.934 -37.100 1.00 0.43 C ATOM 1943 C GLY A 123 -15.254 43.336 -38.392 1.00 75.30 C ATOM 1944 O GLY A 123 -14.511 42.680 -39.123 1.00 65.12 O ATOM 0 H GLY A 123 -12.767 43.247 -36.891 1.00 44.53 H new ATOM 0 HA2 GLY A 123 -15.562 44.047 -36.398 1.00 0.43 H new ATOM 0 HA3 GLY A 123 -14.345 44.932 -37.296 1.00 0.43 H new ATOM 1948 N ASN A 124 -16.534 43.558 -38.675 1.00 4.20 N ATOM 1949 CA ASN A 124 -17.151 43.034 -39.887 1.00 71.12 C ATOM 1950 C ASN A 124 -18.472 43.742 -40.175 1.00 53.51 C ATOM 1951 O ASN A 124 -19.242 44.035 -39.261 1.00 11.13 O ATOM 1952 CB ASN A 124 -17.386 41.527 -39.755 1.00 44.10 C ATOM 1953 CG ASN A 124 -17.220 40.798 -41.073 1.00 2.13 C ATOM 1954 OD1 ASN A 124 -16.296 40.002 -41.243 1.00 2.22 O ATOM 1955 ND2 ASN A 124 -18.115 41.068 -42.016 1.00 74.20 N ATOM 0 H ASN A 124 -17.164 44.097 -38.081 1.00 4.20 H new ATOM 0 HA ASN A 124 -16.471 43.218 -40.719 1.00 71.12 H new ATOM 0 HB2 ASN A 124 -16.688 41.116 -39.025 1.00 44.10 H new ATOM 0 HB3 ASN A 124 -18.390 41.351 -39.370 1.00 44.10 H new ATOM 0 HD21 ASN A 124 -18.053 40.609 -42.925 1.00 74.20 H new ATOM 0 HD22 ASN A 124 -18.865 41.735 -41.832 1.00 74.20 H new ATOM 1962 N ASN A 125 -18.726 44.013 -41.451 1.00 52.14 N ATOM 1963 CA ASN A 125 -19.954 44.686 -41.859 1.00 11.12 C ATOM 1964 C ASN A 125 -21.170 43.799 -41.609 1.00 63.12 C ATOM 1965 O ASN A 125 -21.046 42.583 -41.471 1.00 11.32 O ATOM 1966 CB ASN A 125 -19.882 45.067 -43.340 1.00 43.04 C ATOM 1967 CG ASN A 125 -19.716 43.859 -44.240 1.00 12.21 C ATOM 1968 OD1 ASN A 125 -20.644 43.067 -44.415 1.00 5.41 O ATOM 1969 ND2 ASN A 125 -18.529 43.710 -44.818 1.00 53.30 N ATOM 0 H ASN A 125 -18.099 43.777 -42.220 1.00 52.14 H new ATOM 0 HA ASN A 125 -20.059 45.592 -41.261 1.00 11.12 H new ATOM 0 HB2 ASN A 125 -20.789 45.603 -43.619 1.00 43.04 H new ATOM 0 HB3 ASN A 125 -19.048 45.751 -43.496 1.00 43.04 H new ATOM 0 HD21 ASN A 125 -18.358 42.916 -45.435 1.00 53.30 H new ATOM 0 HD22 ASN A 125 -17.789 44.390 -44.645 1.00 53.30 H new ATOM 1976 N SER A 126 -22.345 44.419 -41.552 1.00 51.12 N ATOM 1977 CA SER A 126 -23.584 43.687 -41.314 1.00 22.24 C ATOM 1978 C SER A 126 -24.570 43.904 -42.458 1.00 73.12 C ATOM 1979 O SER A 126 -24.512 44.914 -43.158 1.00 3.45 O ATOM 1980 CB SER A 126 -24.214 44.125 -39.991 1.00 64.31 C ATOM 1981 OG SER A 126 -24.017 45.510 -39.767 1.00 42.21 O ATOM 0 H SER A 126 -22.465 45.425 -41.667 1.00 51.12 H new ATOM 0 HA SER A 126 -23.346 42.625 -41.259 1.00 22.24 H new ATOM 0 HB2 SER A 126 -25.281 43.903 -40.002 1.00 64.31 H new ATOM 0 HB3 SER A 126 -23.778 43.555 -39.171 1.00 64.31 H new ATOM 0 HG SER A 126 -24.430 45.766 -38.916 1.00 42.21 H new ATOM 1987 N GLN A 127 -25.475 42.948 -42.640 1.00 63.24 N ATOM 1988 CA GLN A 127 -26.475 43.035 -43.697 1.00 34.42 C ATOM 1989 C GLN A 127 -27.647 43.912 -43.271 1.00 41.23 C ATOM 1990 O GLN A 127 -27.628 44.510 -42.195 1.00 2.13 O ATOM 1991 CB GLN A 127 -26.977 41.638 -44.069 1.00 22.24 C ATOM 1992 CG GLN A 127 -27.498 40.843 -42.883 1.00 1.33 C ATOM 1993 CD GLN A 127 -28.676 39.959 -43.243 1.00 25.15 C ATOM 1994 OE1 GLN A 127 -28.602 39.158 -44.175 1.00 73.20 O ATOM 1995 NE2 GLN A 127 -29.771 40.102 -42.507 1.00 0.42 N ATOM 0 H GLN A 127 -25.536 42.105 -42.069 1.00 63.24 H new ATOM 0 HA GLN A 127 -26.005 43.490 -44.569 1.00 34.42 H new ATOM 0 HB2 GLN A 127 -27.771 41.732 -44.810 1.00 22.24 H new ATOM 0 HB3 GLN A 127 -26.166 41.083 -44.540 1.00 22.24 H new ATOM 0 HG2 GLN A 127 -26.694 40.225 -42.484 1.00 1.33 H new ATOM 0 HG3 GLN A 127 -27.794 41.531 -42.091 1.00 1.33 H new ATOM 0 HE21 GLN A 127 -29.788 40.779 -41.744 1.00 0.42 H new ATOM 0 HE22 GLN A 127 -30.596 39.535 -42.704 1.00 0.42 H new ATOM 2004 N VAL A 128 -28.666 43.985 -44.121 1.00 51.32 N ATOM 2005 CA VAL A 128 -29.848 44.789 -43.830 1.00 34.14 C ATOM 2006 C VAL A 128 -31.056 43.905 -43.540 1.00 52.32 C ATOM 2007 O VAL A 128 -31.229 42.851 -44.152 1.00 22.41 O ATOM 2008 CB VAL A 128 -30.185 45.732 -44.999 1.00 64.20 C ATOM 2009 CG1 VAL A 128 -30.601 44.935 -46.226 1.00 64.01 C ATOM 2010 CG2 VAL A 128 -31.276 46.712 -44.595 1.00 4.24 C ATOM 0 H VAL A 128 -28.697 43.498 -45.016 1.00 51.32 H new ATOM 0 HA VAL A 128 -29.617 45.384 -42.947 1.00 34.14 H new ATOM 0 HB VAL A 128 -29.291 46.302 -45.252 1.00 64.20 H new ATOM 0 HG11 VAL A 128 -30.835 45.619 -47.042 1.00 64.01 H new ATOM 0 HG12 VAL A 128 -29.785 44.278 -46.527 1.00 64.01 H new ATOM 0 HG13 VAL A 128 -31.481 44.337 -45.990 1.00 64.01 H new ATOM 0 HG21 VAL A 128 -31.502 47.371 -45.433 1.00 4.24 H new ATOM 0 HG22 VAL A 128 -32.174 46.161 -44.314 1.00 4.24 H new ATOM 0 HG23 VAL A 128 -30.935 47.307 -43.747 1.00 4.24 H new ATOM 2020 N SER A 129 -31.889 44.341 -42.601 1.00 63.31 N ATOM 2021 CA SER A 129 -33.081 43.589 -42.226 1.00 11.35 C ATOM 2022 C SER A 129 -34.338 44.250 -42.783 1.00 63.03 C ATOM 2023 O SER A 129 -34.303 45.396 -43.229 1.00 71.01 O ATOM 2024 CB SER A 129 -33.181 43.477 -40.704 1.00 61.11 C ATOM 2025 OG SER A 129 -31.958 43.033 -40.143 1.00 13.32 O ATOM 0 H SER A 129 -31.761 45.212 -42.085 1.00 63.31 H new ATOM 0 HA SER A 129 -32.999 42.589 -42.652 1.00 11.35 H new ATOM 0 HB2 SER A 129 -33.448 44.446 -40.282 1.00 61.11 H new ATOM 0 HB3 SER A 129 -33.979 42.783 -40.439 1.00 61.11 H new ATOM 0 HG SER A 129 -32.048 42.972 -39.169 1.00 13.32 H new ATOM 2031 N GLN A 130 -35.447 43.517 -42.753 1.00 41.51 N ATOM 2032 CA GLN A 130 -36.715 44.032 -43.254 1.00 74.24 C ATOM 2033 C GLN A 130 -37.843 43.761 -42.263 1.00 25.03 C ATOM 2034 O GLN A 130 -38.920 43.302 -42.643 1.00 23.14 O ATOM 2035 CB GLN A 130 -37.047 43.399 -44.607 1.00 42.12 C ATOM 2036 CG GLN A 130 -37.052 41.879 -44.583 1.00 63.23 C ATOM 2037 CD GLN A 130 -37.906 41.282 -45.684 1.00 55.14 C ATOM 2038 OE1 GLN A 130 -37.400 40.614 -46.585 1.00 12.45 O ATOM 2039 NE2 GLN A 130 -39.212 41.519 -45.616 1.00 14.40 N ATOM 0 H GLN A 130 -35.492 42.566 -42.387 1.00 41.51 H new ATOM 0 HA GLN A 130 -36.617 45.110 -43.379 1.00 74.24 H new ATOM 0 HB2 GLN A 130 -38.025 43.752 -44.934 1.00 42.12 H new ATOM 0 HB3 GLN A 130 -36.322 43.740 -45.346 1.00 42.12 H new ATOM 0 HG2 GLN A 130 -36.030 41.514 -44.683 1.00 63.23 H new ATOM 0 HG3 GLN A 130 -37.420 41.536 -43.616 1.00 63.23 H new ATOM 0 HE21 GLN A 130 -39.590 42.078 -44.851 1.00 14.40 H new ATOM 0 HE22 GLN A 130 -39.837 41.141 -46.329 1.00 14.40 H new ATOM 2048 N ASN A 131 -37.587 44.047 -40.991 1.00 64.35 N ATOM 2049 CA ASN A 131 -38.581 43.834 -39.945 1.00 22.24 C ATOM 2050 C ASN A 131 -39.198 45.157 -39.502 1.00 23.34 C ATOM 2051 O ASN A 131 -38.626 46.225 -39.723 1.00 44.50 O ATOM 2052 CB ASN A 131 -37.945 43.129 -38.745 1.00 11.11 C ATOM 2053 CG ASN A 131 -38.546 41.760 -38.494 1.00 70.14 C ATOM 2054 OD1 ASN A 131 -38.080 40.756 -39.035 1.00 43.35 O ATOM 2055 ND2 ASN A 131 -39.587 41.712 -37.670 1.00 20.33 N ATOM 0 H ASN A 131 -36.700 44.427 -40.659 1.00 64.35 H new ATOM 0 HA ASN A 131 -39.371 43.204 -40.353 1.00 22.24 H new ATOM 0 HB2 ASN A 131 -36.873 43.027 -38.913 1.00 11.11 H new ATOM 0 HB3 ASN A 131 -38.071 43.747 -37.856 1.00 11.11 H new ATOM 0 HD21 ASN A 131 -40.033 40.818 -37.463 1.00 20.33 H new ATOM 0 HD22 ASN A 131 -39.940 42.569 -37.244 1.00 20.33 H new ATOM 2062 N TYR A 132 -40.368 45.079 -38.878 1.00 33.33 N ATOM 2063 CA TYR A 132 -41.065 46.269 -38.408 1.00 45.43 C ATOM 2064 C TYR A 132 -41.292 47.255 -39.549 1.00 45.32 C ATOM 2065 O TYR A 132 -41.603 46.830 -40.660 1.00 65.12 O ATOM 2066 CB TYR A 132 -40.268 46.943 -37.289 1.00 2.34 C ATOM 2067 CG TYR A 132 -40.946 46.881 -35.939 1.00 60.22 C ATOM 2068 CD1 TYR A 132 -40.785 45.779 -35.108 1.00 31.31 C ATOM 2069 CD2 TYR A 132 -41.749 47.925 -35.495 1.00 30.11 C ATOM 2070 CE1 TYR A 132 -41.404 45.718 -33.875 1.00 50.22 C ATOM 2071 CE2 TYR A 132 -42.371 47.873 -34.263 1.00 41.53 C ATOM 2072 CZ TYR A 132 -42.196 46.767 -33.456 1.00 21.34 C ATOM 2073 OH TYR A 132 -42.813 46.710 -32.227 1.00 24.34 O ATOM 0 H TYR A 132 -40.854 44.203 -38.686 1.00 33.33 H new ATOM 0 HA TYR A 132 -42.036 45.960 -38.020 1.00 45.43 H new ATOM 0 HB2 TYR A 132 -39.289 46.470 -37.216 1.00 2.34 H new ATOM 0 HB3 TYR A 132 -40.099 47.987 -37.553 1.00 2.34 H new ATOM 0 HD1 TYR A 132 -40.165 44.956 -35.432 1.00 31.31 H new ATOM 0 HD2 TYR A 132 -41.889 48.792 -36.124 1.00 30.11 H new ATOM 0 HE1 TYR A 132 -41.269 44.853 -33.242 1.00 50.22 H new ATOM 0 HE2 TYR A 132 -42.991 48.693 -33.933 1.00 41.53 H new ATOM 0 HH TYR A 132 -43.333 47.528 -32.084 1.00 24.34 H new TER 2083 TYR A 132 HETATM 2084 O1 PC8 A 300 4.237 14.981 -32.272 1.00 64.01 O HETATM 2085 O2 PC8 A 300 5.588 13.155 -33.309 1.00 50.12 O HETATM 2086 P1 PC8 A 300 5.427 14.148 -32.086 1.00 71.24 P HETATM 2087 O3 PC8 A 300 6.768 15.011 -31.965 1.00 51.53 O HETATM 2088 C1 PC8 A 300 7.981 14.333 -31.582 1.00 53.31 C HETATM 2089 C2 PC8 A 300 8.712 14.977 -30.371 1.00 21.13 C HETATM 2090 N1 PC8 A 300 9.851 15.949 -30.655 1.00 25.31 N HETATM 2091 C3 PC8 A 300 9.517 16.917 -31.768 1.00 71.23 C HETATM 2092 C4 PC8 A 300 10.075 16.756 -29.396 1.00 13.41 C HETATM 2093 C5 PC8 A 300 11.133 15.227 -31.002 1.00 14.35 C HETATM 2094 O4 PC8 A 300 5.289 13.256 -30.761 1.00 20.22 O HETATM 2095 C6 PC8 A 300 4.802 11.900 -30.915 1.00 64.31 C HETATM 2096 C7 PC8 A 300 3.288 11.804 -31.273 1.00 34.20 C HETATM 2097 C8 PC8 A 300 2.946 10.662 -32.260 1.00 12.22 C HETATM 2098 O5 PC8 A 300 3.732 9.499 -31.975 1.00 50.21 O HETATM 2099 C9 PC8 A 300 4.503 8.803 -32.858 1.00 24.11 C HETATM 2100 O6 PC8 A 300 4.010 8.348 -33.918 1.00 65.43 O HETATM 2101 C10 PC8 A 300 5.920 8.593 -32.497 1.00 1.31 C HETATM 2102 C11 PC8 A 300 6.850 8.180 -33.670 1.00 53.33 C HETATM 2103 C12 PC8 A 300 7.617 9.387 -34.270 1.00 43.41 C HETATM 2104 C13 PC8 A 300 8.013 9.167 -35.754 1.00 2.22 C HETATM 2105 C14 PC8 A 300 9.391 9.793 -36.099 1.00 65.43 C HETATM 2106 C15 PC8 A 300 9.386 10.532 -37.464 1.00 11.00 C HETATM 2107 C16 PC8 A 300 10.491 10.026 -38.418 1.00 2.31 C HETATM 2108 O7 PC8 A 300 2.441 11.639 -30.123 1.00 64.11 O HETATM 2109 C17 PC8 A 300 2.358 12.434 -29.012 1.00 15.44 C HETATM 2110 O8 PC8 A 300 3.375 13.023 -28.572 1.00 23.44 O HETATM 2111 C18 PC8 A 300 1.033 12.594 -28.374 1.00 44.01 C HETATM 2112 C19 PC8 A 300 0.984 12.276 -26.853 1.00 21.25 C HETATM 2113 C20 PC8 A 300 -0.463 12.265 -26.286 1.00 25.31 C HETATM 2114 C21 PC8 A 300 -0.661 11.190 -25.184 1.00 31.35 C HETATM 2115 C22 PC8 A 300 -1.230 11.776 -23.864 1.00 71.43 C HETATM 2116 C23 PC8 A 300 -1.930 10.700 -22.992 1.00 72.43 C HETATM 2117 C24 PC8 A 300 -3.217 10.142 -23.642 1.00 11.43 C HETATM 0 H9 PC8 A 300 10.338 16.087 -28.577 1.00 13.41 H new HETATM 0 H8 PC8 A 300 10.886 17.466 -29.559 1.00 13.41 H new HETATM 0 H7 PC8 A 300 9.312 16.362 -32.683 1.00 71.23 H new HETATM 0 H6 PC8 A 300 8.638 17.500 -31.492 1.00 71.23 H new HETATM 0 H5 PC8 A 300 10.360 17.588 -31.932 1.00 71.23 H new HETATM 0 H48 PC8 A 300 -3.927 10.954 -23.799 1.00 11.43 H new HETATM 0 H47 PC8 A 300 -2.972 9.684 -24.600 1.00 11.43 H new HETATM 0 H46 PC8 A 300 -3.661 9.394 -22.985 1.00 11.43 H new HETATM 0 H45 PC8 A 300 -1.236 9.879 -22.810 1.00 72.43 H new HETATM 0 H44 PC8 A 300 -2.177 11.130 -22.021 1.00 72.43 H new HETATM 0 H43 PC8 A 300 -0.421 12.232 -23.294 1.00 71.43 H new HETATM 0 H42 PC8 A 300 -1.941 12.569 -24.098 1.00 71.43 H new HETATM 0 H41 PC8 A 300 -1.336 10.418 -25.554 1.00 31.35 H new HETATM 0 H40 PC8 A 300 0.294 10.707 -24.979 1.00 31.35 H new HETATM 0 H4 PC8 A 300 7.967 15.502 -29.772 1.00 21.13 H new HETATM 0 H39 PC8 A 300 -0.697 13.248 -25.877 1.00 25.31 H new HETATM 0 H38 PC8 A 300 -1.167 12.082 -27.098 1.00 25.31 H new HETATM 0 H37 PC8 A 300 1.447 11.305 -26.674 1.00 21.25 H new HETATM 0 H36 PC8 A 300 1.575 13.015 -26.313 1.00 21.25 H new HETATM 0 H35 PC8 A 300 0.697 13.620 -28.525 1.00 44.01 H new HETATM 0 H34 PC8 A 300 0.321 11.947 -28.887 1.00 44.01 H new HETATM 0 H33 PC8 A 300 11.467 10.180 -37.958 1.00 2.31 H new HETATM 0 H32 PC8 A 300 10.345 8.963 -38.613 1.00 2.31 H new HETATM 0 H31 PC8 A 300 10.441 10.577 -39.357 1.00 2.31 H new HETATM 0 H30 PC8 A 300 8.414 10.403 -37.939 1.00 11.00 H new HETATM 0 H3 PC8 A 300 9.108 14.171 -29.753 1.00 21.13 H new HETATM 0 H29 PC8 A 300 9.519 11.601 -37.295 1.00 11.00 H new HETATM 0 H28 PC8 A 300 9.675 10.492 -35.313 1.00 65.43 H new HETATM 0 H27 PC8 A 300 10.148 9.009 -36.117 1.00 65.43 H new HETATM 0 H26 PC8 A 300 8.040 8.098 -35.965 1.00 2.22 H new HETATM 0 H25 PC8 A 300 7.249 9.600 -36.399 1.00 2.22 H new HETATM 0 H24 PC8 A 300 6.998 10.281 -34.192 1.00 43.41 H new HETATM 0 H23 PC8 A 300 8.516 9.570 -33.682 1.00 43.41 H new HETATM 0 H22 PC8 A 300 7.566 7.437 -33.318 1.00 53.33 H new HETATM 0 H21 PC8 A 300 6.256 7.706 -34.451 1.00 53.33 H new HETATM 0 H20 PC8 A 300 6.305 9.512 -32.056 1.00 1.31 H new HETATM 0 H2 PC8 A 300 7.745 13.297 -31.341 1.00 53.31 H new HETATM 0 H19 PC8 A 300 5.971 7.824 -31.726 1.00 1.31 H new HETATM 0 H18 PC8 A 300 1.886 10.418 -32.189 1.00 12.22 H new HETATM 0 H17 PC8 A 300 3.130 10.990 -33.283 1.00 12.22 H new HETATM 0 H16 PC8 A 300 3.092 12.765 -31.749 1.00 34.20 H new HETATM 0 H15 PC8 A 300 5.381 11.404 -31.694 1.00 64.31 H new HETATM 0 H14 PC8 A 300 4.981 11.354 -29.989 1.00 64.31 H new HETATM 0 H13 PC8 A 300 11.428 14.589 -30.169 1.00 14.35 H new HETATM 0 H12 PC8 A 300 10.977 14.615 -31.890 1.00 14.35 H new HETATM 0 H11 PC8 A 300 11.920 15.956 -31.197 1.00 14.35 H new HETATM 0 H10 PC8 A 300 9.163 17.297 -29.144 1.00 13.41 H new HETATM 0 H1 PC8 A 300 8.660 14.315 -32.435 1.00 53.31 H new