USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1085 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 130 GLN : amide:sc= -0.119 K(o=-0.086,f=-1.5) USER MOD Set 1.2: A 133 LYS NZ :NH3+ -135:sc= 0.0334 (180deg=-0.143) USER MOD Set 2.1: A 97 ASN : amide:sc= 0.849 K(o=1.8,f=-2.2!) USER MOD Set 2.2: A 112 TYR OH : rot -16:sc= 0.95 USER MOD Set 3.1: A 52 THR OG1 : rot -176:sc= -0.655 USER MOD Set 3.2: A 53 ASN : amide:sc= 0 X(o=-1.7,f=-1.9) USER MOD Set 3.3: A 87 GLN : amide:sc= -1.01 K(o=-1.7,f=-0.87) USER MOD Set 4.1: A 22 ASN : amide:sc= -2.34 X(o=-7,f=-6.7!) USER MOD Set 4.2: A 37 TYR OH : rot -120:sc= -4.65! USER MOD Single : A 10 ASN : amide:sc= -1 K(o=-1,f=-0.0028) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0.745 (180deg=0.619) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.434 K(o=-0.43,f=-4.3!) USER MOD Single : A 16 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 25 TYR OH : rot 180:sc= 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 LYS NZ :NH3+ -132:sc= -0.0383 (180deg=-0.358) USER MOD Single : A 32 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0255 (180deg=-0.329) USER MOD Single : A 36 HIS : no HE2:sc= 0.0855 K(o=0.085,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.17) USER MOD Single : A 41 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 46 THR OG1 : rot 24:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= -3! K(o=-3!,f=-1.2) USER MOD Single : A 48 MET CE :methyl -122:sc= -7.13! (180deg=-9.11!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 165:sc= -0.0453 USER MOD Single : A 54 GLN : amide:sc= -2.01 K(o=-2,f=-0.65) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 61 LYS NZ :NH3+ 165:sc= -0.503 (180deg=-1.09!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 19:sc= -7.02! USER MOD Single : A 71 CYS SG : rot 93:sc= 0.102 USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.19) USER MOD Single : A 81 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -56:sc= 0.923 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.0304 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -170:sc=-0.000896 (180deg=-0.123) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -166:sc= -0.0368 (180deg=-0.237) USER MOD Single : A 110 HIS : no HE2:sc= -0.0335 K(o=-0.034,f=-0.86) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 126:sc= -1.05! USER MOD Single : A 119 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-4.6!) USER MOD Single : A 121 THR OG1 : rot -72:sc= 0.409 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 CYS SG : rot -41:sc= -3.06! USER MOD Single : A 129 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 136 LYS NZ :NH3+ -162:sc= -0.064 (180deg=-0.402) USER MOD Single : A 138 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 9 25.478 -6.826 0.358 1.00 1.26 N ATOM 2 CA GLU A 9 24.113 -7.049 -0.168 1.00 1.05 C ATOM 3 C GLU A 9 23.273 -5.789 -0.014 1.00 0.90 C ATOM 4 O GLU A 9 23.284 -5.145 1.035 1.00 0.98 O ATOM 5 CB GLU A 9 23.436 -8.202 0.570 1.00 1.37 C ATOM 6 CG GLU A 9 22.030 -8.464 0.094 1.00 2.20 C ATOM 7 CD GLU A 9 21.977 -8.863 -1.364 1.00 2.80 C ATOM 8 OE1 GLU A 9 21.960 -7.965 -2.229 1.00 3.20 O ATOM 9 OE2 GLU A 9 21.971 -10.076 -1.644 1.00 3.26 O ATOM 0 HA GLU A 9 24.195 -7.300 -1.225 1.00 1.05 H new ATOM 0 HB2 GLU A 9 24.031 -9.106 0.442 1.00 1.37 H new ATOM 0 HB3 GLU A 9 23.417 -7.981 1.637 1.00 1.37 H new ATOM 0 HG2 GLU A 9 21.586 -9.254 0.700 1.00 2.20 H new ATOM 0 HG3 GLU A 9 21.426 -7.569 0.245 1.00 2.20 H new ATOM 18 N ASN A 10 22.522 -5.457 -1.055 1.00 0.79 N ATOM 19 CA ASN A 10 21.732 -4.236 -1.056 1.00 0.66 C ATOM 20 C ASN A 10 20.465 -4.409 -0.242 1.00 0.59 C ATOM 21 O ASN A 10 19.887 -3.435 0.213 1.00 0.53 O ATOM 22 CB ASN A 10 21.374 -3.795 -2.480 1.00 0.62 C ATOM 23 CG ASN A 10 22.584 -3.478 -3.335 1.00 1.14 C ATOM 24 OD1 ASN A 10 22.554 -3.654 -4.552 1.00 1.94 O ATOM 25 ND2 ASN A 10 23.655 -3.006 -2.716 1.00 1.45 N ATOM 0 H ASN A 10 22.444 -6.014 -1.906 1.00 0.79 H new ATOM 0 HA ASN A 10 22.346 -3.459 -0.600 1.00 0.66 H new ATOM 0 HB2 ASN A 10 20.795 -4.583 -2.961 1.00 0.62 H new ATOM 0 HB3 ASN A 10 20.734 -2.914 -2.429 1.00 0.62 H new ATOM 0 HD21 ASN A 10 24.493 -2.775 -3.250 1.00 1.45 H new ATOM 0 HD22 ASN A 10 23.643 -2.873 -1.705 1.00 1.45 H new ATOM 32 N LYS A 11 20.043 -5.653 -0.062 1.00 0.63 N ATOM 33 CA LYS A 11 18.823 -5.962 0.682 1.00 0.62 C ATOM 34 C LYS A 11 18.859 -5.374 2.091 1.00 0.62 C ATOM 35 O LYS A 11 17.861 -4.842 2.578 1.00 0.58 O ATOM 36 CB LYS A 11 18.626 -7.477 0.754 1.00 0.71 C ATOM 37 CG LYS A 11 18.756 -8.159 -0.596 1.00 0.79 C ATOM 38 CD LYS A 11 18.383 -9.632 -0.532 1.00 1.12 C ATOM 39 CE LYS A 11 18.230 -10.230 -1.927 1.00 1.50 C ATOM 40 NZ LYS A 11 19.436 -10.018 -2.776 1.00 2.19 N ATOM 0 H LYS A 11 20.530 -6.473 -0.423 1.00 0.63 H new ATOM 0 HA LYS A 11 17.985 -5.509 0.152 1.00 0.62 H new ATOM 0 HB2 LYS A 11 19.359 -7.901 1.440 1.00 0.71 H new ATOM 0 HB3 LYS A 11 17.641 -7.690 1.169 1.00 0.71 H new ATOM 0 HG2 LYS A 11 18.116 -7.655 -1.319 1.00 0.79 H new ATOM 0 HG3 LYS A 11 19.781 -8.060 -0.954 1.00 0.79 H new ATOM 0 HD2 LYS A 11 19.149 -10.179 0.018 1.00 1.12 H new ATOM 0 HD3 LYS A 11 17.450 -9.749 0.020 1.00 1.12 H new ATOM 0 HE2 LYS A 11 18.034 -11.299 -1.841 1.00 1.50 H new ATOM 0 HE3 LYS A 11 17.363 -9.785 -2.416 1.00 1.50 H new ATOM 0 HZ1 LYS A 11 19.315 -10.515 -3.682 1.00 2.19 H new ATOM 0 HZ2 LYS A 11 19.561 -9.001 -2.953 1.00 2.19 H new ATOM 0 HZ3 LYS A 11 20.275 -10.390 -2.287 1.00 2.19 H new ATOM 54 N LYS A 12 20.019 -5.448 2.735 1.00 0.70 N ATOM 55 CA LYS A 12 20.160 -4.951 4.096 1.00 0.74 C ATOM 56 C LYS A 12 20.234 -3.429 4.108 1.00 0.66 C ATOM 57 O LYS A 12 19.650 -2.777 4.975 1.00 0.63 O ATOM 58 CB LYS A 12 21.395 -5.558 4.765 1.00 0.90 C ATOM 59 CG LYS A 12 21.363 -7.078 4.828 1.00 1.54 C ATOM 60 CD LYS A 12 20.112 -7.583 5.531 1.00 2.02 C ATOM 61 CE LYS A 12 20.049 -9.100 5.540 1.00 2.38 C ATOM 62 NZ LYS A 12 18.781 -9.597 6.137 1.00 2.83 N ATOM 0 H LYS A 12 20.870 -5.845 2.338 1.00 0.70 H new ATOM 0 HA LYS A 12 19.280 -5.253 4.664 1.00 0.74 H new ATOM 0 HB2 LYS A 12 22.285 -5.243 4.221 1.00 0.90 H new ATOM 0 HB3 LYS A 12 21.483 -5.162 5.777 1.00 0.90 H new ATOM 0 HG2 LYS A 12 21.403 -7.486 3.818 1.00 1.54 H new ATOM 0 HG3 LYS A 12 22.247 -7.440 5.353 1.00 1.54 H new ATOM 0 HD2 LYS A 12 20.095 -7.212 6.556 1.00 2.02 H new ATOM 0 HD3 LYS A 12 19.228 -7.185 5.033 1.00 2.02 H new ATOM 0 HE2 LYS A 12 20.141 -9.474 4.520 1.00 2.38 H new ATOM 0 HE3 LYS A 12 20.895 -9.496 6.102 1.00 2.38 H new ATOM 0 HZ1 LYS A 12 18.776 -10.637 6.125 1.00 2.83 H new ATOM 0 HZ2 LYS A 12 18.705 -9.262 7.118 1.00 2.83 H new ATOM 0 HZ3 LYS A 12 17.975 -9.240 5.586 1.00 2.83 H new ATOM 76 N GLN A 13 20.948 -2.866 3.142 1.00 0.64 N ATOM 77 CA GLN A 13 21.012 -1.432 2.974 1.00 0.59 C ATOM 78 C GLN A 13 19.634 -0.887 2.605 1.00 0.50 C ATOM 79 O GLN A 13 19.274 0.228 2.974 1.00 0.49 O ATOM 80 CB GLN A 13 22.031 -1.095 1.890 1.00 0.62 C ATOM 81 CG GLN A 13 22.496 0.338 1.934 1.00 0.90 C ATOM 82 CD GLN A 13 23.566 0.641 0.905 1.00 1.51 C ATOM 83 OE1 GLN A 13 23.269 1.001 -0.234 1.00 2.07 O ATOM 84 NE2 GLN A 13 24.819 0.500 1.298 1.00 2.26 N ATOM 0 H GLN A 13 21.494 -3.392 2.460 1.00 0.64 H new ATOM 0 HA GLN A 13 21.324 -0.968 3.910 1.00 0.59 H new ATOM 0 HB2 GLN A 13 22.894 -1.753 1.995 1.00 0.62 H new ATOM 0 HB3 GLN A 13 21.592 -1.298 0.913 1.00 0.62 H new ATOM 0 HG2 GLN A 13 21.643 0.997 1.769 1.00 0.90 H new ATOM 0 HG3 GLN A 13 22.882 0.559 2.929 1.00 0.90 H new ATOM 0 HE21 GLN A 13 25.024 0.199 2.251 1.00 2.26 H new ATOM 0 HE22 GLN A 13 25.582 0.692 0.649 1.00 2.26 H new ATOM 93 N ALA A 14 18.871 -1.697 1.876 1.00 0.46 N ATOM 94 CA ALA A 14 17.512 -1.351 1.484 1.00 0.38 C ATOM 95 C ALA A 14 16.642 -1.146 2.715 1.00 0.39 C ATOM 96 O ALA A 14 15.744 -0.311 2.718 1.00 0.36 O ATOM 97 CB ALA A 14 16.930 -2.436 0.584 1.00 0.36 C ATOM 0 H ALA A 14 19.179 -2.610 1.542 1.00 0.46 H new ATOM 0 HA ALA A 14 17.535 -0.416 0.924 1.00 0.38 H new ATOM 0 HB1 ALA A 14 15.914 -2.165 0.298 1.00 0.36 H new ATOM 0 HB2 ALA A 14 17.545 -2.535 -0.311 1.00 0.36 H new ATOM 0 HB3 ALA A 14 16.915 -3.385 1.121 1.00 0.36 H new ATOM 103 N LEU A 15 16.918 -1.910 3.764 1.00 0.45 N ATOM 104 CA LEU A 15 16.227 -1.729 5.032 1.00 0.47 C ATOM 105 C LEU A 15 16.532 -0.358 5.601 1.00 0.49 C ATOM 106 O LEU A 15 15.635 0.340 6.067 1.00 0.49 O ATOM 107 CB LEU A 15 16.632 -2.807 6.035 1.00 0.54 C ATOM 108 CG LEU A 15 16.028 -4.185 5.795 1.00 1.13 C ATOM 109 CD1 LEU A 15 16.649 -5.200 6.737 1.00 1.98 C ATOM 110 CD2 LEU A 15 14.520 -4.139 5.985 1.00 1.31 C ATOM 0 H LEU A 15 17.612 -2.657 3.762 1.00 0.45 H new ATOM 0 HA LEU A 15 15.156 -1.814 4.849 1.00 0.47 H new ATOM 0 HB2 LEU A 15 17.718 -2.899 6.025 1.00 0.54 H new ATOM 0 HB3 LEU A 15 16.349 -2.474 7.034 1.00 0.54 H new ATOM 0 HG LEU A 15 16.239 -4.487 4.769 1.00 1.13 H new ATOM 0 HD11 LEU A 15 16.209 -6.181 6.556 1.00 1.98 H new ATOM 0 HD12 LEU A 15 17.724 -5.247 6.564 1.00 1.98 H new ATOM 0 HD13 LEU A 15 16.460 -4.902 7.768 1.00 1.98 H new ATOM 0 HD21 LEU A 15 14.101 -5.130 5.811 1.00 1.31 H new ATOM 0 HD22 LEU A 15 14.291 -3.822 7.002 1.00 1.31 H new ATOM 0 HD23 LEU A 15 14.086 -3.432 5.278 1.00 1.31 H new ATOM 122 N LYS A 16 17.801 0.030 5.540 1.00 0.51 N ATOM 123 CA LYS A 16 18.215 1.341 6.011 1.00 0.54 C ATOM 124 C LYS A 16 17.536 2.430 5.190 1.00 0.48 C ATOM 125 O LYS A 16 17.063 3.421 5.735 1.00 0.49 O ATOM 126 CB LYS A 16 19.736 1.500 5.938 1.00 0.62 C ATOM 127 CG LYS A 16 20.209 2.861 6.416 1.00 0.79 C ATOM 128 CD LYS A 16 21.706 3.032 6.263 1.00 1.64 C ATOM 129 CE LYS A 16 22.152 4.398 6.755 1.00 1.89 C ATOM 130 NZ LYS A 16 23.620 4.584 6.634 1.00 2.88 N ATOM 0 H LYS A 16 18.557 -0.545 5.169 1.00 0.51 H new ATOM 0 HA LYS A 16 17.914 1.437 7.054 1.00 0.54 H new ATOM 0 HB2 LYS A 16 20.207 0.724 6.541 1.00 0.62 H new ATOM 0 HB3 LYS A 16 20.064 1.347 4.910 1.00 0.62 H new ATOM 0 HG2 LYS A 16 19.696 3.641 5.852 1.00 0.79 H new ATOM 0 HG3 LYS A 16 19.935 2.992 7.463 1.00 0.79 H new ATOM 0 HD2 LYS A 16 22.223 2.253 6.823 1.00 1.64 H new ATOM 0 HD3 LYS A 16 21.984 2.910 5.216 1.00 1.64 H new ATOM 0 HE2 LYS A 16 21.641 5.173 6.184 1.00 1.89 H new ATOM 0 HE3 LYS A 16 21.856 4.522 7.797 1.00 1.89 H new ATOM 0 HZ1 LYS A 16 23.880 5.529 6.981 1.00 2.88 H new ATOM 0 HZ2 LYS A 16 24.109 3.861 7.199 1.00 2.88 H new ATOM 0 HZ3 LYS A 16 23.901 4.492 5.637 1.00 2.88 H new ATOM 144 N GLU A 17 17.484 2.232 3.878 1.00 0.42 N ATOM 145 CA GLU A 17 16.800 3.167 2.992 1.00 0.38 C ATOM 146 C GLU A 17 15.306 3.219 3.309 1.00 0.35 C ATOM 147 O GLU A 17 14.690 4.284 3.256 1.00 0.34 O ATOM 148 CB GLU A 17 17.035 2.793 1.524 1.00 0.35 C ATOM 149 CG GLU A 17 18.450 3.070 1.046 1.00 0.39 C ATOM 150 CD GLU A 17 18.941 4.452 1.441 1.00 0.42 C ATOM 151 OE1 GLU A 17 18.269 5.444 1.095 1.00 0.39 O ATOM 152 OE2 GLU A 17 19.993 4.554 2.113 1.00 0.54 O ATOM 0 H GLU A 17 17.907 1.434 3.404 1.00 0.42 H new ATOM 0 HA GLU A 17 17.215 4.161 3.159 1.00 0.38 H new ATOM 0 HB2 GLU A 17 16.815 1.734 1.388 1.00 0.35 H new ATOM 0 HB3 GLU A 17 16.334 3.347 0.900 1.00 0.35 H new ATOM 0 HG2 GLU A 17 19.123 2.318 1.459 1.00 0.39 H new ATOM 0 HG3 GLU A 17 18.489 2.971 -0.039 1.00 0.39 H new ATOM 159 N LYS A 18 14.728 2.076 3.667 1.00 0.34 N ATOM 160 CA LYS A 18 13.326 2.032 4.067 1.00 0.34 C ATOM 161 C LYS A 18 13.127 2.822 5.361 1.00 0.40 C ATOM 162 O LYS A 18 12.131 3.527 5.523 1.00 0.41 O ATOM 163 CB LYS A 18 12.840 0.583 4.235 1.00 0.34 C ATOM 164 CG LYS A 18 11.341 0.472 4.494 1.00 0.33 C ATOM 165 CD LYS A 18 10.901 -0.957 4.802 1.00 0.36 C ATOM 166 CE LYS A 18 11.438 -1.466 6.133 1.00 0.50 C ATOM 167 NZ LYS A 18 10.756 -0.835 7.294 1.00 0.80 N ATOM 0 H LYS A 18 15.205 1.175 3.688 1.00 0.34 H new ATOM 0 HA LYS A 18 12.730 2.490 3.278 1.00 0.34 H new ATOM 0 HB2 LYS A 18 13.089 0.018 3.337 1.00 0.34 H new ATOM 0 HB3 LYS A 18 13.379 0.121 5.062 1.00 0.34 H new ATOM 0 HG2 LYS A 18 11.072 1.119 5.329 1.00 0.33 H new ATOM 0 HG3 LYS A 18 10.798 0.835 3.622 1.00 0.33 H new ATOM 0 HD2 LYS A 18 9.812 -1.002 4.814 1.00 0.36 H new ATOM 0 HD3 LYS A 18 11.239 -1.617 4.003 1.00 0.36 H new ATOM 0 HE2 LYS A 18 11.312 -2.547 6.184 1.00 0.50 H new ATOM 0 HE3 LYS A 18 12.508 -1.267 6.191 1.00 0.50 H new ATOM 0 HZ1 LYS A 18 11.154 -1.212 8.178 1.00 0.80 H new ATOM 0 HZ2 LYS A 18 10.898 0.195 7.262 1.00 0.80 H new ATOM 0 HZ3 LYS A 18 9.738 -1.046 7.255 1.00 0.80 H new ATOM 181 N GLU A 19 14.095 2.720 6.267 1.00 0.46 N ATOM 182 CA GLU A 19 14.067 3.464 7.523 1.00 0.52 C ATOM 183 C GLU A 19 14.296 4.945 7.282 1.00 0.50 C ATOM 184 O GLU A 19 13.644 5.777 7.896 1.00 0.53 O ATOM 185 CB GLU A 19 15.124 2.930 8.487 1.00 0.58 C ATOM 186 CG GLU A 19 14.944 1.464 8.840 1.00 0.63 C ATOM 187 CD GLU A 19 15.911 1.013 9.911 1.00 1.32 C ATOM 188 OE1 GLU A 19 17.109 0.835 9.597 1.00 2.32 O ATOM 189 OE2 GLU A 19 15.483 0.816 11.065 1.00 1.29 O ATOM 0 H GLU A 19 14.915 2.124 6.153 1.00 0.46 H new ATOM 0 HA GLU A 19 13.080 3.331 7.967 1.00 0.52 H new ATOM 0 HB2 GLU A 19 16.110 3.069 8.044 1.00 0.58 H new ATOM 0 HB3 GLU A 19 15.099 3.521 9.403 1.00 0.58 H new ATOM 0 HG2 GLU A 19 13.922 1.297 9.181 1.00 0.63 H new ATOM 0 HG3 GLU A 19 15.085 0.857 7.946 1.00 0.63 H new ATOM 196 N LEU A 20 15.218 5.266 6.391 1.00 0.47 N ATOM 197 CA LEU A 20 15.497 6.651 6.040 1.00 0.46 C ATOM 198 C LEU A 20 14.283 7.287 5.370 1.00 0.43 C ATOM 199 O LEU A 20 13.953 8.444 5.627 1.00 0.45 O ATOM 200 CB LEU A 20 16.719 6.727 5.119 1.00 0.45 C ATOM 201 CG LEU A 20 18.046 7.091 5.795 1.00 0.53 C ATOM 202 CD1 LEU A 20 17.950 8.453 6.454 1.00 0.58 C ATOM 203 CD2 LEU A 20 18.452 6.036 6.813 1.00 0.60 C ATOM 0 H LEU A 20 15.790 4.583 5.894 1.00 0.47 H new ATOM 0 HA LEU A 20 15.714 7.205 6.953 1.00 0.46 H new ATOM 0 HB2 LEU A 20 16.838 5.763 4.625 1.00 0.45 H new ATOM 0 HB3 LEU A 20 16.517 7.462 4.340 1.00 0.45 H new ATOM 0 HG LEU A 20 18.816 7.129 5.024 1.00 0.53 H new ATOM 0 HD11 LEU A 20 18.901 8.695 6.929 1.00 0.58 H new ATOM 0 HD12 LEU A 20 17.718 9.206 5.701 1.00 0.58 H new ATOM 0 HD13 LEU A 20 17.162 8.438 7.207 1.00 0.58 H new ATOM 0 HD21 LEU A 20 19.397 6.322 7.276 1.00 0.60 H new ATOM 0 HD22 LEU A 20 17.682 5.955 7.580 1.00 0.60 H new ATOM 0 HD23 LEU A 20 18.569 5.074 6.313 1.00 0.60 H new ATOM 215 N GLY A 21 13.627 6.523 4.505 1.00 0.39 N ATOM 216 CA GLY A 21 12.385 6.972 3.908 1.00 0.37 C ATOM 217 C GLY A 21 11.301 7.129 4.948 1.00 0.40 C ATOM 218 O GLY A 21 10.670 8.173 5.033 1.00 0.41 O ATOM 0 H GLY A 21 13.935 5.598 4.206 1.00 0.39 H new ATOM 0 HA2 GLY A 21 12.546 7.923 3.401 1.00 0.37 H new ATOM 0 HA3 GLY A 21 12.064 6.257 3.150 1.00 0.37 H new ATOM 222 N ASN A 22 11.105 6.095 5.754 1.00 0.43 N ATOM 223 CA ASN A 22 10.108 6.128 6.824 1.00 0.47 C ATOM 224 C ASN A 22 10.386 7.263 7.809 1.00 0.53 C ATOM 225 O ASN A 22 9.467 7.874 8.343 1.00 0.56 O ATOM 226 CB ASN A 22 10.102 4.799 7.583 1.00 0.52 C ATOM 227 CG ASN A 22 8.878 4.620 8.466 1.00 0.59 C ATOM 228 OD1 ASN A 22 8.958 4.021 9.537 1.00 1.27 O ATOM 229 ND2 ASN A 22 7.728 5.098 8.011 1.00 1.23 N ATOM 0 H ASN A 22 11.623 5.219 5.690 1.00 0.43 H new ATOM 0 HA ASN A 22 9.135 6.296 6.361 1.00 0.47 H new ATOM 0 HB2 ASN A 22 10.149 3.979 6.867 1.00 0.52 H new ATOM 0 HB3 ASN A 22 10.999 4.736 8.199 1.00 0.52 H new ATOM 0 HD21 ASN A 22 6.874 4.974 8.554 1.00 1.23 H new ATOM 0 HD22 ASN A 22 7.698 5.590 7.118 1.00 1.23 H new ATOM 236 N ASP A 23 11.661 7.528 8.042 1.00 0.54 N ATOM 237 CA ASP A 23 12.089 8.594 8.944 1.00 0.59 C ATOM 238 C ASP A 23 11.641 9.947 8.424 1.00 0.58 C ATOM 239 O ASP A 23 11.047 10.746 9.151 1.00 0.62 O ATOM 240 CB ASP A 23 13.607 8.570 9.077 1.00 0.61 C ATOM 241 CG ASP A 23 14.126 9.620 10.039 1.00 0.74 C ATOM 242 OD1 ASP A 23 13.958 9.452 11.266 1.00 0.93 O ATOM 243 OD2 ASP A 23 14.717 10.616 9.569 1.00 0.79 O ATOM 0 H ASP A 23 12.430 7.013 7.614 1.00 0.54 H new ATOM 0 HA ASP A 23 11.633 8.431 9.920 1.00 0.59 H new ATOM 0 HB2 ASP A 23 13.922 7.584 9.417 1.00 0.61 H new ATOM 0 HB3 ASP A 23 14.056 8.728 8.096 1.00 0.61 H new ATOM 248 N ALA A 24 11.922 10.192 7.154 1.00 0.53 N ATOM 249 CA ALA A 24 11.487 11.407 6.492 1.00 0.53 C ATOM 250 C ALA A 24 9.963 11.430 6.389 1.00 0.53 C ATOM 251 O ALA A 24 9.333 12.485 6.461 1.00 0.58 O ATOM 252 CB ALA A 24 12.133 11.490 5.122 1.00 0.49 C ATOM 0 H ALA A 24 12.454 9.558 6.558 1.00 0.53 H new ATOM 0 HA ALA A 24 11.795 12.276 7.074 1.00 0.53 H new ATOM 0 HB1 ALA A 24 11.808 12.402 4.621 1.00 0.49 H new ATOM 0 HB2 ALA A 24 13.217 11.502 5.231 1.00 0.49 H new ATOM 0 HB3 ALA A 24 11.838 10.625 4.528 1.00 0.49 H new ATOM 258 N TYR A 25 9.392 10.242 6.238 1.00 0.48 N ATOM 259 CA TYR A 25 7.945 10.039 6.217 1.00 0.49 C ATOM 260 C TYR A 25 7.316 10.527 7.523 1.00 0.59 C ATOM 261 O TYR A 25 6.238 11.118 7.529 1.00 0.63 O ATOM 262 CB TYR A 25 7.678 8.544 6.010 1.00 0.46 C ATOM 263 CG TYR A 25 6.228 8.145 5.879 1.00 0.48 C ATOM 264 CD1 TYR A 25 5.580 8.195 4.651 1.00 0.40 C ATOM 265 CD2 TYR A 25 5.501 7.755 6.991 1.00 0.64 C ATOM 266 CE1 TYR A 25 4.246 7.856 4.539 1.00 0.45 C ATOM 267 CE2 TYR A 25 4.167 7.418 6.891 1.00 0.68 C ATOM 268 CZ TYR A 25 3.578 7.353 5.613 1.00 0.54 C ATOM 269 OH TYR A 25 2.209 7.135 5.551 1.00 0.63 O ATOM 0 H TYR A 25 9.925 9.380 6.125 1.00 0.48 H new ATOM 0 HA TYR A 25 7.497 10.612 5.405 1.00 0.49 H new ATOM 0 HB2 TYR A 25 8.206 8.221 5.113 1.00 0.46 H new ATOM 0 HB3 TYR A 25 8.111 7.998 6.848 1.00 0.46 H new ATOM 0 HD1 TYR A 25 6.127 8.503 3.772 1.00 0.40 H new ATOM 0 HD2 TYR A 25 5.987 7.714 7.954 1.00 0.64 H new ATOM 0 HE1 TYR A 25 3.732 7.990 3.598 1.00 0.45 H new ATOM 0 HE2 TYR A 25 3.585 7.208 7.776 1.00 0.68 H new ATOM 0 HH TYR A 25 1.896 6.772 6.406 1.00 0.63 H new ATOM 279 N LYS A 26 8.018 10.287 8.625 1.00 0.65 N ATOM 280 CA LYS A 26 7.573 10.714 9.949 1.00 0.77 C ATOM 281 C LYS A 26 7.790 12.211 10.144 1.00 0.81 C ATOM 282 O LYS A 26 7.239 12.820 11.062 1.00 0.94 O ATOM 283 CB LYS A 26 8.348 9.953 11.026 1.00 0.82 C ATOM 284 CG LYS A 26 8.126 8.454 11.008 1.00 0.86 C ATOM 285 CD LYS A 26 9.158 7.748 11.866 1.00 1.03 C ATOM 286 CE LYS A 26 9.073 6.242 11.718 1.00 0.90 C ATOM 287 NZ LYS A 26 10.200 5.556 12.402 1.00 1.62 N ATOM 0 H LYS A 26 8.910 9.792 8.627 1.00 0.65 H new ATOM 0 HA LYS A 26 6.507 10.500 10.032 1.00 0.77 H new ATOM 0 HB2 LYS A 26 9.412 10.153 10.902 1.00 0.82 H new ATOM 0 HB3 LYS A 26 8.063 10.340 12.005 1.00 0.82 H new ATOM 0 HG2 LYS A 26 7.125 8.225 11.373 1.00 0.86 H new ATOM 0 HG3 LYS A 26 8.184 8.085 9.984 1.00 0.86 H new ATOM 0 HD2 LYS A 26 10.156 8.086 11.587 1.00 1.03 H new ATOM 0 HD3 LYS A 26 9.010 8.020 12.911 1.00 1.03 H new ATOM 0 HE2 LYS A 26 8.128 5.889 12.131 1.00 0.90 H new ATOM 0 HE3 LYS A 26 9.076 5.980 10.660 1.00 0.90 H new ATOM 0 HZ1 LYS A 26 10.107 4.528 12.278 1.00 1.62 H new ATOM 0 HZ2 LYS A 26 11.101 5.874 11.991 1.00 1.62 H new ATOM 0 HZ3 LYS A 26 10.182 5.786 13.416 1.00 1.62 H new ATOM 301 N LYS A 27 8.601 12.797 9.279 1.00 0.75 N ATOM 302 CA LYS A 27 8.958 14.203 9.391 1.00 0.80 C ATOM 303 C LYS A 27 8.200 15.030 8.353 1.00 0.79 C ATOM 304 O LYS A 27 8.454 16.224 8.184 1.00 0.84 O ATOM 305 CB LYS A 27 10.473 14.360 9.206 1.00 0.80 C ATOM 306 CG LYS A 27 11.011 15.731 9.567 1.00 1.16 C ATOM 307 CD LYS A 27 12.518 15.815 9.368 1.00 1.58 C ATOM 308 CE LYS A 27 12.911 15.574 7.919 1.00 1.93 C ATOM 309 NZ LYS A 27 14.378 15.697 7.717 1.00 2.31 N ATOM 0 H LYS A 27 9.028 12.318 8.486 1.00 0.75 H new ATOM 0 HA LYS A 27 8.680 14.567 10.380 1.00 0.80 H new ATOM 0 HB2 LYS A 27 10.980 13.612 9.816 1.00 0.80 H new ATOM 0 HB3 LYS A 27 10.724 14.147 8.167 1.00 0.80 H new ATOM 0 HG2 LYS A 27 10.520 16.487 8.954 1.00 1.16 H new ATOM 0 HG3 LYS A 27 10.768 15.955 10.606 1.00 1.16 H new ATOM 0 HD2 LYS A 27 12.872 16.797 9.682 1.00 1.58 H new ATOM 0 HD3 LYS A 27 13.010 15.080 10.005 1.00 1.58 H new ATOM 0 HE2 LYS A 27 12.584 14.580 7.614 1.00 1.93 H new ATOM 0 HE3 LYS A 27 12.395 16.289 7.279 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 14.606 15.526 6.717 1.00 2.31 H new ATOM 0 HZ2 LYS A 27 14.686 16.654 7.984 1.00 2.31 H new ATOM 0 HZ3 LYS A 27 14.870 14.997 8.309 1.00 2.31 H new ATOM 323 N LYS A 28 7.256 14.382 7.670 1.00 0.77 N ATOM 324 CA LYS A 28 6.476 15.017 6.607 1.00 0.80 C ATOM 325 C LYS A 28 7.368 15.514 5.479 1.00 0.71 C ATOM 326 O LYS A 28 7.022 16.456 4.767 1.00 0.75 O ATOM 327 CB LYS A 28 5.631 16.153 7.165 1.00 0.96 C ATOM 328 CG LYS A 28 4.552 15.671 8.115 1.00 1.07 C ATOM 329 CD LYS A 28 3.872 16.830 8.815 1.00 1.24 C ATOM 330 CE LYS A 28 2.697 16.366 9.663 1.00 1.77 C ATOM 331 NZ LYS A 28 1.644 15.703 8.847 1.00 2.39 N ATOM 0 H LYS A 28 7.011 13.406 7.837 1.00 0.77 H new ATOM 0 HA LYS A 28 5.809 14.261 6.191 1.00 0.80 H new ATOM 0 HB2 LYS A 28 6.278 16.859 7.685 1.00 0.96 H new ATOM 0 HB3 LYS A 28 5.167 16.694 6.340 1.00 0.96 H new ATOM 0 HG2 LYS A 28 3.811 15.093 7.563 1.00 1.07 H new ATOM 0 HG3 LYS A 28 4.990 15.003 8.856 1.00 1.07 H new ATOM 0 HD2 LYS A 28 4.594 17.348 9.446 1.00 1.24 H new ATOM 0 HD3 LYS A 28 3.524 17.549 8.073 1.00 1.24 H new ATOM 0 HE2 LYS A 28 3.053 15.674 10.426 1.00 1.77 H new ATOM 0 HE3 LYS A 28 2.266 17.221 10.184 1.00 1.77 H new ATOM 0 HZ1 LYS A 28 0.713 16.095 9.097 1.00 2.39 H new ATOM 0 HZ2 LYS A 28 1.830 15.870 7.838 1.00 2.39 H new ATOM 0 HZ3 LYS A 28 1.651 14.680 9.036 1.00 2.39 H new ATOM 345 N ASP A 29 8.511 14.873 5.315 1.00 0.64 N ATOM 346 CA ASP A 29 9.356 15.128 4.167 1.00 0.59 C ATOM 347 C ASP A 29 9.093 14.027 3.158 1.00 0.50 C ATOM 348 O ASP A 29 9.967 13.221 2.847 1.00 0.47 O ATOM 349 CB ASP A 29 10.833 15.170 4.549 1.00 0.60 C ATOM 350 CG ASP A 29 11.648 16.014 3.586 1.00 0.93 C ATOM 351 OD1 ASP A 29 11.495 15.856 2.354 1.00 1.62 O ATOM 352 OD2 ASP A 29 12.434 16.858 4.057 1.00 1.39 O ATOM 0 H ASP A 29 8.874 14.173 5.962 1.00 0.64 H new ATOM 0 HA ASP A 29 9.121 16.105 3.745 1.00 0.59 H new ATOM 0 HB2 ASP A 29 10.935 15.571 5.557 1.00 0.60 H new ATOM 0 HB3 ASP A 29 11.231 14.156 4.568 1.00 0.60 H new ATOM 357 N PHE A 30 7.860 14.000 2.673 1.00 0.49 N ATOM 358 CA PHE A 30 7.348 12.891 1.885 1.00 0.44 C ATOM 359 C PHE A 30 8.112 12.702 0.576 1.00 0.42 C ATOM 360 O PHE A 30 8.220 11.583 0.083 1.00 0.43 O ATOM 361 CB PHE A 30 5.851 13.083 1.641 1.00 0.45 C ATOM 362 CG PHE A 30 5.047 12.999 2.913 1.00 0.50 C ATOM 363 CD1 PHE A 30 4.808 11.775 3.510 1.00 0.52 C ATOM 364 CD2 PHE A 30 4.542 14.140 3.518 1.00 0.64 C ATOM 365 CE1 PHE A 30 4.083 11.685 4.683 1.00 0.58 C ATOM 366 CE2 PHE A 30 3.814 14.057 4.690 1.00 0.71 C ATOM 367 CZ PHE A 30 3.585 12.828 5.273 1.00 0.66 C ATOM 0 H PHE A 30 7.185 14.751 2.816 1.00 0.49 H new ATOM 0 HA PHE A 30 7.500 11.974 2.454 1.00 0.44 H new ATOM 0 HB2 PHE A 30 5.683 14.052 1.172 1.00 0.45 H new ATOM 0 HB3 PHE A 30 5.499 12.325 0.941 1.00 0.45 H new ATOM 0 HD1 PHE A 30 5.194 10.876 3.053 1.00 0.52 H new ATOM 0 HD2 PHE A 30 4.720 15.105 3.068 1.00 0.64 H new ATOM 0 HE1 PHE A 30 3.907 10.721 5.137 1.00 0.58 H new ATOM 0 HE2 PHE A 30 3.425 14.954 5.149 1.00 0.71 H new ATOM 0 HZ PHE A 30 3.017 12.761 6.189 1.00 0.66 H new ATOM 377 N ASP A 31 8.663 13.776 0.025 1.00 0.46 N ATOM 378 CA ASP A 31 9.489 13.657 -1.175 1.00 0.48 C ATOM 379 C ASP A 31 10.740 12.855 -0.864 1.00 0.44 C ATOM 380 O ASP A 31 11.075 11.904 -1.565 1.00 0.42 O ATOM 381 CB ASP A 31 9.891 15.024 -1.731 1.00 0.57 C ATOM 382 CG ASP A 31 8.730 15.773 -2.348 1.00 1.30 C ATOM 383 OD1 ASP A 31 8.190 15.298 -3.367 1.00 1.93 O ATOM 384 OD2 ASP A 31 8.357 16.846 -1.825 1.00 1.61 O ATOM 0 H ASP A 31 8.557 14.726 0.381 1.00 0.46 H new ATOM 0 HA ASP A 31 8.893 13.147 -1.932 1.00 0.48 H new ATOM 0 HB2 ASP A 31 10.320 15.625 -0.929 1.00 0.57 H new ATOM 0 HB3 ASP A 31 10.671 14.891 -2.481 1.00 0.57 H new ATOM 389 N THR A 32 11.408 13.236 0.213 1.00 0.45 N ATOM 390 CA THR A 32 12.613 12.559 0.661 1.00 0.45 C ATOM 391 C THR A 32 12.286 11.148 1.158 1.00 0.39 C ATOM 392 O THR A 32 13.063 10.209 0.963 1.00 0.38 O ATOM 393 CB THR A 32 13.280 13.380 1.779 1.00 0.50 C ATOM 394 OG1 THR A 32 13.626 14.681 1.281 1.00 0.57 O ATOM 395 CG2 THR A 32 14.518 12.695 2.325 1.00 0.52 C ATOM 0 H THR A 32 11.130 14.022 0.800 1.00 0.45 H new ATOM 0 HA THR A 32 13.302 12.471 -0.179 1.00 0.45 H new ATOM 0 HB THR A 32 12.565 13.470 2.597 1.00 0.50 H new ATOM 0 HG1 THR A 32 12.894 15.307 1.464 1.00 0.57 H new ATOM 0 HG21 THR A 32 14.957 13.309 3.112 1.00 0.52 H new ATOM 0 HG22 THR A 32 14.245 11.722 2.734 1.00 0.52 H new ATOM 0 HG23 THR A 32 15.243 12.561 1.523 1.00 0.52 H new ATOM 403 N ALA A 33 11.125 11.007 1.787 1.00 0.38 N ATOM 404 CA ALA A 33 10.644 9.709 2.239 1.00 0.36 C ATOM 405 C ALA A 33 10.497 8.760 1.063 1.00 0.30 C ATOM 406 O ALA A 33 11.116 7.695 1.021 1.00 0.28 O ATOM 407 CB ALA A 33 9.312 9.862 2.951 1.00 0.39 C ATOM 0 H ALA A 33 10.496 11.782 1.996 1.00 0.38 H new ATOM 0 HA ALA A 33 11.372 9.294 2.936 1.00 0.36 H new ATOM 0 HB1 ALA A 33 8.963 8.885 3.284 1.00 0.39 H new ATOM 0 HB2 ALA A 33 9.434 10.517 3.814 1.00 0.39 H new ATOM 0 HB3 ALA A 33 8.582 10.294 2.267 1.00 0.39 H new ATOM 413 N LEU A 34 9.692 9.184 0.100 1.00 0.29 N ATOM 414 CA LEU A 34 9.424 8.415 -1.106 1.00 0.26 C ATOM 415 C LEU A 34 10.725 8.164 -1.870 1.00 0.26 C ATOM 416 O LEU A 34 10.862 7.176 -2.591 1.00 0.26 O ATOM 417 CB LEU A 34 8.437 9.206 -1.970 1.00 0.28 C ATOM 418 CG LEU A 34 7.551 8.400 -2.920 1.00 0.33 C ATOM 419 CD1 LEU A 34 7.920 8.674 -4.365 1.00 0.81 C ATOM 420 CD2 LEU A 34 7.630 6.921 -2.618 1.00 0.53 C ATOM 0 H LEU A 34 9.203 10.078 0.134 1.00 0.29 H new ATOM 0 HA LEU A 34 8.995 7.447 -0.848 1.00 0.26 H new ATOM 0 HB2 LEU A 34 7.790 9.780 -1.307 1.00 0.28 H new ATOM 0 HB3 LEU A 34 9.004 9.924 -2.562 1.00 0.28 H new ATOM 0 HG LEU A 34 6.520 8.719 -2.765 1.00 0.33 H new ATOM 0 HD11 LEU A 34 7.276 8.089 -5.022 1.00 0.81 H new ATOM 0 HD12 LEU A 34 7.789 9.735 -4.579 1.00 0.81 H new ATOM 0 HD13 LEU A 34 8.960 8.395 -4.534 1.00 0.81 H new ATOM 0 HD21 LEU A 34 6.990 6.374 -3.310 1.00 0.53 H new ATOM 0 HD22 LEU A 34 8.660 6.581 -2.731 1.00 0.53 H new ATOM 0 HD23 LEU A 34 7.298 6.740 -1.596 1.00 0.53 H new ATOM 432 N LYS A 35 11.677 9.065 -1.679 1.00 0.31 N ATOM 433 CA LYS A 35 12.962 8.997 -2.354 1.00 0.33 C ATOM 434 C LYS A 35 13.816 7.848 -1.811 1.00 0.29 C ATOM 435 O LYS A 35 14.348 7.055 -2.586 1.00 0.30 O ATOM 436 CB LYS A 35 13.696 10.330 -2.186 1.00 0.40 C ATOM 437 CG LYS A 35 14.408 10.809 -3.438 1.00 0.49 C ATOM 438 CD LYS A 35 13.424 11.158 -4.548 1.00 0.53 C ATOM 439 CE LYS A 35 12.717 12.483 -4.291 1.00 0.60 C ATOM 440 NZ LYS A 35 13.663 13.631 -4.310 1.00 1.41 N ATOM 0 H LYS A 35 11.579 9.863 -1.052 1.00 0.31 H new ATOM 0 HA LYS A 35 12.788 8.807 -3.413 1.00 0.33 H new ATOM 0 HB2 LYS A 35 12.979 11.090 -1.876 1.00 0.40 H new ATOM 0 HB3 LYS A 35 14.425 10.232 -1.382 1.00 0.40 H new ATOM 0 HG2 LYS A 35 15.013 11.684 -3.200 1.00 0.49 H new ATOM 0 HG3 LYS A 35 15.091 10.034 -3.787 1.00 0.49 H new ATOM 0 HD2 LYS A 35 13.954 11.209 -5.499 1.00 0.53 H new ATOM 0 HD3 LYS A 35 12.683 10.364 -4.638 1.00 0.53 H new ATOM 0 HE2 LYS A 35 11.946 12.635 -5.047 1.00 0.60 H new ATOM 0 HE3 LYS A 35 12.213 12.444 -3.325 1.00 0.60 H new ATOM 0 HZ1 LYS A 35 13.131 14.518 -4.421 1.00 1.41 H new ATOM 0 HZ2 LYS A 35 14.196 13.656 -3.417 1.00 1.41 H new ATOM 0 HZ3 LYS A 35 14.324 13.523 -5.105 1.00 1.41 H new ATOM 454 N HIS A 36 13.945 7.751 -0.485 1.00 0.29 N ATOM 455 CA HIS A 36 14.702 6.645 0.112 1.00 0.29 C ATOM 456 C HIS A 36 13.944 5.349 -0.054 1.00 0.25 C ATOM 457 O HIS A 36 14.539 4.294 -0.216 1.00 0.27 O ATOM 458 CB HIS A 36 14.976 6.839 1.598 1.00 0.38 C ATOM 459 CG HIS A 36 15.878 7.974 1.926 1.00 0.38 C ATOM 460 ND1 HIS A 36 17.246 7.909 1.791 1.00 0.43 N ATOM 461 CD2 HIS A 36 15.602 9.196 2.423 1.00 0.40 C ATOM 462 CE1 HIS A 36 17.777 9.049 2.191 1.00 0.47 C ATOM 463 NE2 HIS A 36 16.799 9.851 2.581 1.00 0.46 N ATOM 0 H HIS A 36 13.545 8.409 0.184 1.00 0.29 H new ATOM 0 HA HIS A 36 15.658 6.619 -0.411 1.00 0.29 H new ATOM 0 HB2 HIS A 36 14.026 6.989 2.111 1.00 0.38 H new ATOM 0 HB3 HIS A 36 15.411 5.922 1.995 1.00 0.38 H new ATOM 0 HD1 HIS A 36 17.767 7.107 1.438 1.00 0.43 H new ATOM 0 HD2 HIS A 36 14.622 9.587 2.654 1.00 0.40 H new ATOM 0 HE1 HIS A 36 18.830 9.287 2.199 1.00 0.47 H new ATOM 472 N TYR A 37 12.625 5.432 0.011 1.00 0.22 N ATOM 473 CA TYR A 37 11.790 4.276 -0.242 1.00 0.21 C ATOM 474 C TYR A 37 12.040 3.757 -1.655 1.00 0.21 C ATOM 475 O TYR A 37 12.034 2.549 -1.898 1.00 0.24 O ATOM 476 CB TYR A 37 10.318 4.630 -0.057 1.00 0.22 C ATOM 477 CG TYR A 37 9.818 4.562 1.372 1.00 0.23 C ATOM 478 CD1 TYR A 37 10.152 3.488 2.181 1.00 0.33 C ATOM 479 CD2 TYR A 37 9.068 5.590 1.933 1.00 0.37 C ATOM 480 CE1 TYR A 37 9.752 3.432 3.501 1.00 0.40 C ATOM 481 CE2 TYR A 37 8.675 5.546 3.253 1.00 0.41 C ATOM 482 CZ TYR A 37 8.787 4.410 3.948 1.00 0.36 C ATOM 483 OH TYR A 37 8.642 4.437 5.352 1.00 0.48 O ATOM 0 H TYR A 37 12.114 6.286 0.236 1.00 0.22 H new ATOM 0 HA TYR A 37 12.045 3.493 0.473 1.00 0.21 H new ATOM 0 HB2 TYR A 37 10.152 5.638 -0.437 1.00 0.22 H new ATOM 0 HB3 TYR A 37 9.718 3.956 -0.669 1.00 0.22 H new ATOM 0 HD1 TYR A 37 10.737 2.678 1.771 1.00 0.33 H new ATOM 0 HD2 TYR A 37 8.789 6.437 1.324 1.00 0.37 H new ATOM 0 HE1 TYR A 37 10.146 2.685 4.174 1.00 0.40 H new ATOM 0 HE2 TYR A 37 8.276 6.431 3.727 1.00 0.41 H new ATOM 0 HH TYR A 37 7.714 4.231 5.589 1.00 0.48 H new ATOM 493 N ASP A 38 12.279 4.682 -2.583 1.00 0.25 N ATOM 494 CA ASP A 38 12.633 4.322 -3.952 1.00 0.31 C ATOM 495 C ASP A 38 14.017 3.707 -3.983 1.00 0.30 C ATOM 496 O ASP A 38 14.263 2.741 -4.697 1.00 0.32 O ATOM 497 CB ASP A 38 12.617 5.541 -4.871 1.00 0.42 C ATOM 498 CG ASP A 38 12.699 5.144 -6.334 1.00 0.78 C ATOM 499 OD1 ASP A 38 11.651 4.788 -6.921 1.00 0.68 O ATOM 500 OD2 ASP A 38 13.812 5.168 -6.903 1.00 1.51 O ATOM 0 H ASP A 38 12.234 5.686 -2.410 1.00 0.25 H new ATOM 0 HA ASP A 38 11.892 3.605 -4.306 1.00 0.31 H new ATOM 0 HB2 ASP A 38 11.705 6.113 -4.700 1.00 0.42 H new ATOM 0 HB3 ASP A 38 13.454 6.194 -4.624 1.00 0.42 H new ATOM 505 N LYS A 39 14.913 4.286 -3.196 1.00 0.30 N ATOM 506 CA LYS A 39 16.271 3.786 -3.073 1.00 0.32 C ATOM 507 C LYS A 39 16.256 2.367 -2.517 1.00 0.29 C ATOM 508 O LYS A 39 16.983 1.504 -2.985 1.00 0.32 O ATOM 509 CB LYS A 39 17.090 4.706 -2.166 1.00 0.35 C ATOM 510 CG LYS A 39 18.574 4.398 -2.175 1.00 0.41 C ATOM 511 CD LYS A 39 19.189 4.681 -3.532 1.00 0.47 C ATOM 512 CE LYS A 39 20.605 4.153 -3.607 1.00 0.54 C ATOM 513 NZ LYS A 39 21.232 4.433 -4.924 1.00 1.25 N ATOM 0 H LYS A 39 14.719 5.111 -2.629 1.00 0.30 H new ATOM 0 HA LYS A 39 16.734 3.769 -4.060 1.00 0.32 H new ATOM 0 HB2 LYS A 39 16.939 5.739 -2.479 1.00 0.35 H new ATOM 0 HB3 LYS A 39 16.716 4.624 -1.145 1.00 0.35 H new ATOM 0 HG2 LYS A 39 19.076 4.996 -1.414 1.00 0.41 H new ATOM 0 HG3 LYS A 39 18.732 3.352 -1.913 1.00 0.41 H new ATOM 0 HD2 LYS A 39 18.584 4.220 -4.313 1.00 0.47 H new ATOM 0 HD3 LYS A 39 19.187 5.755 -3.719 1.00 0.47 H new ATOM 0 HE2 LYS A 39 21.204 4.606 -2.817 1.00 0.54 H new ATOM 0 HE3 LYS A 39 20.601 3.078 -3.428 1.00 0.54 H new ATOM 0 HZ1 LYS A 39 22.236 4.163 -4.895 1.00 1.25 H new ATOM 0 HZ2 LYS A 39 20.747 3.885 -5.663 1.00 1.25 H new ATOM 0 HZ3 LYS A 39 21.153 5.448 -5.138 1.00 1.25 H new ATOM 527 N ALA A 40 15.402 2.128 -1.532 1.00 0.25 N ATOM 528 CA ALA A 40 15.247 0.801 -0.953 1.00 0.24 C ATOM 529 C ALA A 40 14.696 -0.170 -1.987 1.00 0.22 C ATOM 530 O ALA A 40 15.136 -1.310 -2.073 1.00 0.26 O ATOM 531 CB ALA A 40 14.337 0.859 0.264 1.00 0.22 C ATOM 0 H ALA A 40 14.803 2.840 -1.115 1.00 0.25 H new ATOM 0 HA ALA A 40 16.227 0.444 -0.635 1.00 0.24 H new ATOM 0 HB1 ALA A 40 14.230 -0.140 0.686 1.00 0.22 H new ATOM 0 HB2 ALA A 40 14.770 1.524 1.011 1.00 0.22 H new ATOM 0 HB3 ALA A 40 13.357 1.234 -0.032 1.00 0.22 H new ATOM 537 N LYS A 41 13.738 0.300 -2.776 1.00 0.23 N ATOM 538 CA LYS A 41 13.176 -0.486 -3.868 1.00 0.26 C ATOM 539 C LYS A 41 14.233 -0.726 -4.948 1.00 0.31 C ATOM 540 O LYS A 41 14.218 -1.741 -5.648 1.00 0.37 O ATOM 541 CB LYS A 41 11.965 0.252 -4.447 1.00 0.29 C ATOM 542 CG LYS A 41 11.310 -0.434 -5.631 1.00 0.41 C ATOM 543 CD LYS A 41 10.072 0.327 -6.075 1.00 0.78 C ATOM 544 CE LYS A 41 9.426 -0.315 -7.288 1.00 0.89 C ATOM 545 NZ LYS A 41 10.285 -0.219 -8.499 1.00 1.37 N ATOM 0 H LYS A 41 13.331 1.230 -2.679 1.00 0.23 H new ATOM 0 HA LYS A 41 12.855 -1.457 -3.492 1.00 0.26 H new ATOM 0 HB2 LYS A 41 11.222 0.376 -3.659 1.00 0.29 H new ATOM 0 HB3 LYS A 41 12.277 1.251 -4.751 1.00 0.29 H new ATOM 0 HG2 LYS A 41 12.018 -0.500 -6.457 1.00 0.41 H new ATOM 0 HG3 LYS A 41 11.038 -1.455 -5.362 1.00 0.41 H new ATOM 0 HD2 LYS A 41 9.354 0.363 -5.256 1.00 0.78 H new ATOM 0 HD3 LYS A 41 10.342 1.357 -6.308 1.00 0.78 H new ATOM 0 HE2 LYS A 41 9.218 -1.363 -7.074 1.00 0.89 H new ATOM 0 HE3 LYS A 41 8.468 0.166 -7.485 1.00 0.89 H new ATOM 0 HZ1 LYS A 41 9.736 -0.498 -9.337 1.00 1.37 H new ATOM 0 HZ2 LYS A 41 10.616 0.760 -8.613 1.00 1.37 H new ATOM 0 HZ3 LYS A 41 11.104 -0.852 -8.395 1.00 1.37 H new ATOM 559 N GLU A 42 15.148 0.224 -5.071 1.00 0.32 N ATOM 560 CA GLU A 42 16.266 0.120 -5.995 1.00 0.38 C ATOM 561 C GLU A 42 17.290 -0.884 -5.469 1.00 0.40 C ATOM 562 O GLU A 42 17.888 -1.643 -6.236 1.00 0.50 O ATOM 563 CB GLU A 42 16.914 1.495 -6.170 1.00 0.43 C ATOM 564 CG GLU A 42 18.046 1.527 -7.178 1.00 1.11 C ATOM 565 CD GLU A 42 18.733 2.874 -7.224 1.00 1.81 C ATOM 566 OE1 GLU A 42 18.124 3.839 -7.733 1.00 2.78 O ATOM 567 OE2 GLU A 42 19.887 2.977 -6.759 1.00 2.03 O ATOM 0 H GLU A 42 15.136 1.090 -4.532 1.00 0.32 H new ATOM 0 HA GLU A 42 15.903 -0.229 -6.962 1.00 0.38 H new ATOM 0 HB2 GLU A 42 16.149 2.208 -6.478 1.00 0.43 H new ATOM 0 HB3 GLU A 42 17.293 1.831 -5.205 1.00 0.43 H new ATOM 0 HG2 GLU A 42 18.776 0.757 -6.927 1.00 1.11 H new ATOM 0 HG3 GLU A 42 17.656 1.286 -8.167 1.00 1.11 H new ATOM 574 N LEU A 43 17.487 -0.873 -4.157 1.00 0.36 N ATOM 575 CA LEU A 43 18.409 -1.792 -3.505 1.00 0.39 C ATOM 576 C LEU A 43 17.852 -3.205 -3.512 1.00 0.39 C ATOM 577 O LEU A 43 18.542 -4.146 -3.912 1.00 0.49 O ATOM 578 CB LEU A 43 18.716 -1.335 -2.081 1.00 0.39 C ATOM 579 CG LEU A 43 19.934 -0.419 -1.956 1.00 0.43 C ATOM 580 CD1 LEU A 43 19.813 0.738 -2.907 1.00 0.42 C ATOM 581 CD2 LEU A 43 20.073 0.102 -0.550 1.00 0.45 C ATOM 0 H LEU A 43 17.016 -0.231 -3.519 1.00 0.36 H new ATOM 0 HA LEU A 43 19.343 -1.792 -4.067 1.00 0.39 H new ATOM 0 HB2 LEU A 43 17.844 -0.815 -1.684 1.00 0.39 H new ATOM 0 HB3 LEU A 43 18.874 -2.215 -1.457 1.00 0.39 H new ATOM 0 HG LEU A 43 20.820 -1.003 -2.203 1.00 0.43 H new ATOM 0 HD11 LEU A 43 20.686 1.383 -2.808 1.00 0.42 H new ATOM 0 HD12 LEU A 43 19.752 0.364 -3.929 1.00 0.42 H new ATOM 0 HD13 LEU A 43 18.913 1.308 -2.674 1.00 0.42 H new ATOM 0 HD21 LEU A 43 20.947 0.751 -0.487 1.00 0.45 H new ATOM 0 HD22 LEU A 43 19.181 0.668 -0.282 1.00 0.45 H new ATOM 0 HD23 LEU A 43 20.193 -0.735 0.138 1.00 0.45 H new ATOM 593 N ASP A 44 16.610 -3.365 -3.083 1.00 0.32 N ATOM 594 CA ASP A 44 15.958 -4.650 -3.213 1.00 0.33 C ATOM 595 C ASP A 44 14.500 -4.511 -3.624 1.00 0.32 C ATOM 596 O ASP A 44 13.648 -4.121 -2.832 1.00 0.33 O ATOM 597 CB ASP A 44 16.061 -5.494 -1.952 1.00 0.40 C ATOM 598 CG ASP A 44 15.668 -6.929 -2.234 1.00 0.46 C ATOM 599 OD1 ASP A 44 16.510 -7.679 -2.771 1.00 1.11 O ATOM 600 OD2 ASP A 44 14.511 -7.306 -1.960 1.00 0.52 O ATOM 0 H ASP A 44 16.045 -2.634 -2.650 1.00 0.32 H new ATOM 0 HA ASP A 44 16.496 -5.169 -4.006 1.00 0.33 H new ATOM 0 HB2 ASP A 44 17.081 -5.460 -1.568 1.00 0.40 H new ATOM 0 HB3 ASP A 44 15.415 -5.080 -1.178 1.00 0.40 H new ATOM 605 N PRO A 45 14.203 -4.835 -4.885 1.00 0.41 N ATOM 606 CA PRO A 45 12.847 -4.778 -5.427 1.00 0.49 C ATOM 607 C PRO A 45 11.977 -5.949 -4.985 1.00 0.47 C ATOM 608 O PRO A 45 10.752 -5.853 -4.995 1.00 0.59 O ATOM 609 CB PRO A 45 13.082 -4.841 -6.933 1.00 0.64 C ATOM 610 CG PRO A 45 14.321 -5.648 -7.065 1.00 0.63 C ATOM 611 CD PRO A 45 15.179 -5.263 -5.897 1.00 0.52 C ATOM 0 HA PRO A 45 12.313 -3.891 -5.086 1.00 0.49 H new ATOM 0 HB2 PRO A 45 12.243 -5.308 -7.449 1.00 0.64 H new ATOM 0 HB3 PRO A 45 13.205 -3.846 -7.361 1.00 0.64 H new ATOM 0 HG2 PRO A 45 14.097 -6.715 -7.052 1.00 0.63 H new ATOM 0 HG3 PRO A 45 14.826 -5.439 -8.008 1.00 0.63 H new ATOM 0 HD2 PRO A 45 15.780 -6.102 -5.546 1.00 0.52 H new ATOM 0 HD3 PRO A 45 15.870 -4.460 -6.153 1.00 0.52 H new ATOM 619 N THR A 46 12.610 -7.054 -4.597 1.00 0.39 N ATOM 620 CA THR A 46 11.878 -8.258 -4.227 1.00 0.40 C ATOM 621 C THR A 46 11.281 -8.132 -2.831 1.00 0.40 C ATOM 622 O THR A 46 10.409 -8.910 -2.435 1.00 0.42 O ATOM 623 CB THR A 46 12.765 -9.511 -4.318 1.00 0.42 C ATOM 624 OG1 THR A 46 13.992 -9.327 -3.591 1.00 0.45 O ATOM 625 CG2 THR A 46 13.087 -9.833 -5.770 1.00 0.46 C ATOM 0 H THR A 46 13.624 -7.138 -4.532 1.00 0.39 H new ATOM 0 HA THR A 46 11.063 -8.370 -4.942 1.00 0.40 H new ATOM 0 HB THR A 46 12.212 -10.340 -3.876 1.00 0.42 H new ATOM 0 HG1 THR A 46 13.863 -8.645 -2.899 1.00 0.45 H new ATOM 0 HG21 THR A 46 13.715 -10.723 -5.815 1.00 0.46 H new ATOM 0 HG22 THR A 46 12.161 -10.015 -6.316 1.00 0.46 H new ATOM 0 HG23 THR A 46 13.615 -8.993 -6.221 1.00 0.46 H new ATOM 633 N ASN A 47 11.757 -7.151 -2.085 1.00 0.52 N ATOM 634 CA ASN A 47 11.172 -6.824 -0.804 1.00 0.56 C ATOM 635 C ASN A 47 9.988 -5.906 -1.026 1.00 0.56 C ATOM 636 O ASN A 47 10.128 -4.681 -1.055 1.00 0.89 O ATOM 637 CB ASN A 47 12.200 -6.163 0.105 1.00 0.78 C ATOM 638 CG ASN A 47 11.725 -6.049 1.539 1.00 1.51 C ATOM 639 OD1 ASN A 47 11.933 -6.952 2.348 1.00 2.13 O ATOM 640 ND2 ASN A 47 11.094 -4.935 1.868 1.00 1.47 N ATOM 0 H ASN A 47 12.550 -6.567 -2.349 1.00 0.52 H new ATOM 0 HA ASN A 47 10.837 -7.738 -0.314 1.00 0.56 H new ATOM 0 HB2 ASN A 47 13.126 -6.738 0.078 1.00 0.78 H new ATOM 0 HB3 ASN A 47 12.431 -5.169 -0.277 1.00 0.78 H new ATOM 0 HD21 ASN A 47 10.760 -4.801 2.822 1.00 1.47 H new ATOM 0 HD22 ASN A 47 10.941 -4.210 1.167 1.00 1.47 H new ATOM 647 N MET A 48 8.821 -6.518 -1.182 1.00 0.29 N ATOM 648 CA MET A 48 7.597 -5.806 -1.534 1.00 0.26 C ATOM 649 C MET A 48 7.309 -4.652 -0.574 1.00 0.24 C ATOM 650 O MET A 48 6.670 -3.670 -0.947 1.00 0.24 O ATOM 651 CB MET A 48 6.413 -6.765 -1.542 1.00 0.22 C ATOM 652 CG MET A 48 5.967 -7.216 -0.160 1.00 0.19 C ATOM 653 SD MET A 48 4.433 -8.148 -0.205 1.00 1.05 S ATOM 654 CE MET A 48 3.334 -6.932 -0.925 1.00 0.27 C ATOM 0 H MET A 48 8.695 -7.524 -1.068 1.00 0.29 H new ATOM 0 HA MET A 48 7.743 -5.388 -2.530 1.00 0.26 H new ATOM 0 HB2 MET A 48 5.573 -6.284 -2.043 1.00 0.22 H new ATOM 0 HB3 MET A 48 6.675 -7.643 -2.132 1.00 0.22 H new ATOM 0 HG2 MET A 48 6.748 -7.829 0.289 1.00 0.19 H new ATOM 0 HG3 MET A 48 5.840 -6.343 0.480 1.00 0.19 H new ATOM 0 HE1 MET A 48 2.499 -6.750 -0.248 1.00 0.27 H new ATOM 0 HE2 MET A 48 3.878 -6.002 -1.089 1.00 0.27 H new ATOM 0 HE3 MET A 48 2.955 -7.303 -1.877 1.00 0.27 H new ATOM 664 N THR A 49 7.795 -4.776 0.655 1.00 0.24 N ATOM 665 CA THR A 49 7.559 -3.784 1.689 1.00 0.26 C ATOM 666 C THR A 49 8.083 -2.406 1.287 1.00 0.28 C ATOM 667 O THR A 49 7.508 -1.384 1.655 1.00 0.39 O ATOM 668 CB THR A 49 8.227 -4.217 3.003 1.00 0.29 C ATOM 669 OG1 THR A 49 7.867 -5.572 3.301 1.00 0.71 O ATOM 670 CG2 THR A 49 7.823 -3.304 4.147 1.00 0.64 C ATOM 0 H THR A 49 8.363 -5.567 0.960 1.00 0.24 H new ATOM 0 HA THR A 49 6.480 -3.712 1.826 1.00 0.26 H new ATOM 0 HB THR A 49 9.308 -4.146 2.883 1.00 0.29 H new ATOM 0 HG1 THR A 49 8.295 -5.848 4.138 1.00 0.71 H new ATOM 0 HG21 THR A 49 8.310 -3.633 5.065 1.00 0.64 H new ATOM 0 HG22 THR A 49 8.127 -2.282 3.922 1.00 0.64 H new ATOM 0 HG23 THR A 49 6.741 -3.340 4.277 1.00 0.64 H new ATOM 678 N TYR A 50 9.161 -2.374 0.512 1.00 0.23 N ATOM 679 CA TYR A 50 9.738 -1.103 0.102 1.00 0.23 C ATOM 680 C TYR A 50 8.810 -0.414 -0.875 1.00 0.26 C ATOM 681 O TYR A 50 8.698 0.809 -0.903 1.00 0.42 O ATOM 682 CB TYR A 50 11.107 -1.291 -0.545 1.00 0.21 C ATOM 683 CG TYR A 50 12.110 -1.987 0.340 1.00 0.22 C ATOM 684 CD1 TYR A 50 12.137 -1.765 1.710 1.00 0.28 C ATOM 685 CD2 TYR A 50 13.035 -2.863 -0.200 1.00 0.25 C ATOM 686 CE1 TYR A 50 13.056 -2.403 2.514 1.00 0.35 C ATOM 687 CE2 TYR A 50 13.958 -3.502 0.595 1.00 0.31 C ATOM 688 CZ TYR A 50 13.965 -3.273 1.952 1.00 0.34 C ATOM 689 OH TYR A 50 14.877 -3.926 2.750 1.00 0.44 O ATOM 0 H TYR A 50 9.645 -3.200 0.161 1.00 0.23 H new ATOM 0 HA TYR A 50 9.865 -0.490 0.994 1.00 0.23 H new ATOM 0 HB2 TYR A 50 10.988 -1.865 -1.464 1.00 0.21 H new ATOM 0 HB3 TYR A 50 11.502 -0.315 -0.827 1.00 0.21 H new ATOM 0 HD1 TYR A 50 11.427 -1.082 2.152 1.00 0.28 H new ATOM 0 HD2 TYR A 50 13.032 -3.048 -1.264 1.00 0.25 H new ATOM 0 HE1 TYR A 50 13.064 -2.222 3.579 1.00 0.35 H new ATOM 0 HE2 TYR A 50 14.674 -4.181 0.156 1.00 0.31 H new ATOM 0 HH TYR A 50 15.277 -4.668 2.250 1.00 0.44 H new ATOM 699 N ILE A 51 8.125 -1.229 -1.653 1.00 0.18 N ATOM 700 CA ILE A 51 7.237 -0.742 -2.682 1.00 0.19 C ATOM 701 C ILE A 51 5.908 -0.299 -2.074 1.00 0.19 C ATOM 702 O ILE A 51 5.349 0.731 -2.451 1.00 0.22 O ATOM 703 CB ILE A 51 6.981 -1.835 -3.737 1.00 0.20 C ATOM 704 CG1 ILE A 51 8.304 -2.351 -4.314 1.00 0.25 C ATOM 705 CG2 ILE A 51 6.081 -1.308 -4.843 1.00 0.21 C ATOM 706 CD1 ILE A 51 8.145 -3.577 -5.186 1.00 0.33 C ATOM 0 H ILE A 51 8.170 -2.246 -1.587 1.00 0.18 H new ATOM 0 HA ILE A 51 7.713 0.113 -3.163 1.00 0.19 H new ATOM 0 HB ILE A 51 6.474 -2.669 -3.251 1.00 0.20 H new ATOM 0 HG12 ILE A 51 8.770 -1.558 -4.898 1.00 0.25 H new ATOM 0 HG13 ILE A 51 8.983 -2.584 -3.494 1.00 0.25 H new ATOM 0 HG21 ILE A 51 5.911 -2.094 -5.579 1.00 0.21 H new ATOM 0 HG22 ILE A 51 5.127 -0.996 -4.418 1.00 0.21 H new ATOM 0 HG23 ILE A 51 6.559 -0.456 -5.326 1.00 0.21 H new ATOM 0 HD11 ILE A 51 9.121 -3.887 -5.560 1.00 0.33 H new ATOM 0 HD12 ILE A 51 7.707 -4.386 -4.601 1.00 0.33 H new ATOM 0 HD13 ILE A 51 7.492 -3.343 -6.027 1.00 0.33 H new ATOM 718 N THR A 52 5.410 -1.078 -1.124 1.00 0.20 N ATOM 719 CA THR A 52 4.158 -0.762 -0.455 1.00 0.24 C ATOM 720 C THR A 52 4.306 0.491 0.399 1.00 0.24 C ATOM 721 O THR A 52 3.404 1.327 0.457 1.00 0.27 O ATOM 722 CB THR A 52 3.693 -1.932 0.431 1.00 0.27 C ATOM 723 OG1 THR A 52 4.732 -2.301 1.345 1.00 0.28 O ATOM 724 CG2 THR A 52 3.320 -3.134 -0.411 1.00 0.26 C ATOM 0 H THR A 52 5.856 -1.936 -0.799 1.00 0.20 H new ATOM 0 HA THR A 52 3.409 -0.585 -1.227 1.00 0.24 H new ATOM 0 HB THR A 52 2.814 -1.604 0.986 1.00 0.27 H new ATOM 0 HG1 THR A 52 4.451 -3.085 1.861 1.00 0.28 H new ATOM 0 HG21 THR A 52 2.995 -3.947 0.239 1.00 0.26 H new ATOM 0 HG22 THR A 52 2.510 -2.866 -1.089 1.00 0.26 H new ATOM 0 HG23 THR A 52 4.186 -3.456 -0.989 1.00 0.26 H new ATOM 732 N ASN A 53 5.452 0.613 1.055 1.00 0.25 N ATOM 733 CA ASN A 53 5.758 1.792 1.852 1.00 0.27 C ATOM 734 C ASN A 53 5.951 3.005 0.952 1.00 0.24 C ATOM 735 O ASN A 53 5.607 4.128 1.322 1.00 0.27 O ATOM 736 CB ASN A 53 7.001 1.550 2.707 1.00 0.34 C ATOM 737 CG ASN A 53 6.709 0.707 3.935 1.00 0.81 C ATOM 738 OD1 ASN A 53 5.789 -0.112 3.943 1.00 1.59 O ATOM 739 ND2 ASN A 53 7.484 0.908 4.988 1.00 1.42 N ATOM 0 H ASN A 53 6.188 -0.094 1.050 1.00 0.25 H new ATOM 0 HA ASN A 53 4.918 1.990 2.518 1.00 0.27 H new ATOM 0 HB2 ASN A 53 7.762 1.055 2.104 1.00 0.34 H new ATOM 0 HB3 ASN A 53 7.415 2.509 3.019 1.00 0.34 H new ATOM 0 HD21 ASN A 53 7.329 0.376 5.844 1.00 1.42 H new ATOM 0 HD22 ASN A 53 8.236 1.595 4.944 1.00 1.42 H new ATOM 746 N GLN A 54 6.495 2.767 -0.235 1.00 0.23 N ATOM 747 CA GLN A 54 6.562 3.796 -1.263 1.00 0.25 C ATOM 748 C GLN A 54 5.163 4.279 -1.603 1.00 0.25 C ATOM 749 O GLN A 54 4.887 5.480 -1.643 1.00 0.28 O ATOM 750 CB GLN A 54 7.210 3.250 -2.531 1.00 0.27 C ATOM 751 CG GLN A 54 8.619 3.740 -2.759 1.00 0.40 C ATOM 752 CD GLN A 54 8.922 3.914 -4.232 1.00 0.62 C ATOM 753 OE1 GLN A 54 8.442 3.157 -5.075 1.00 1.27 O ATOM 754 NE2 GLN A 54 9.677 4.945 -4.559 1.00 1.34 N ATOM 0 H GLN A 54 6.896 1.870 -0.509 1.00 0.23 H new ATOM 0 HA GLN A 54 7.161 4.621 -0.877 1.00 0.25 H new ATOM 0 HB2 GLN A 54 7.218 2.161 -2.483 1.00 0.27 H new ATOM 0 HB3 GLN A 54 6.597 3.527 -3.389 1.00 0.27 H new ATOM 0 HG2 GLN A 54 8.761 4.690 -2.244 1.00 0.40 H new ATOM 0 HG3 GLN A 54 9.325 3.033 -2.324 1.00 0.40 H new ATOM 0 HE21 GLN A 54 10.057 5.550 -3.831 1.00 1.34 H new ATOM 0 HE22 GLN A 54 9.881 5.137 -5.540 1.00 1.34 H new ATOM 763 N ALA A 55 4.288 3.317 -1.843 1.00 0.24 N ATOM 764 CA ALA A 55 2.901 3.581 -2.176 1.00 0.25 C ATOM 765 C ALA A 55 2.199 4.358 -1.064 1.00 0.26 C ATOM 766 O ALA A 55 1.270 5.123 -1.320 1.00 0.30 O ATOM 767 CB ALA A 55 2.195 2.267 -2.448 1.00 0.24 C ATOM 0 H ALA A 55 4.523 2.325 -1.812 1.00 0.24 H new ATOM 0 HA ALA A 55 2.865 4.202 -3.071 1.00 0.25 H new ATOM 0 HB1 ALA A 55 1.152 2.460 -2.699 1.00 0.24 H new ATOM 0 HB2 ALA A 55 2.681 1.759 -3.281 1.00 0.24 H new ATOM 0 HB3 ALA A 55 2.244 1.637 -1.560 1.00 0.24 H new ATOM 773 N ALA A 56 2.660 4.164 0.168 1.00 0.26 N ATOM 774 CA ALA A 56 2.113 4.879 1.315 1.00 0.27 C ATOM 775 C ALA A 56 2.393 6.368 1.210 1.00 0.26 C ATOM 776 O ALA A 56 1.563 7.192 1.594 1.00 0.30 O ATOM 777 CB ALA A 56 2.685 4.338 2.614 1.00 0.29 C ATOM 0 H ALA A 56 3.413 3.516 0.397 1.00 0.26 H new ATOM 0 HA ALA A 56 1.034 4.725 1.316 1.00 0.27 H new ATOM 0 HB1 ALA A 56 2.262 4.888 3.455 1.00 0.29 H new ATOM 0 HB2 ALA A 56 2.436 3.281 2.709 1.00 0.29 H new ATOM 0 HB3 ALA A 56 3.769 4.457 2.612 1.00 0.29 H new ATOM 783 N VAL A 57 3.561 6.717 0.686 1.00 0.26 N ATOM 784 CA VAL A 57 3.915 8.117 0.547 1.00 0.27 C ATOM 785 C VAL A 57 3.019 8.793 -0.471 1.00 0.26 C ATOM 786 O VAL A 57 2.552 9.896 -0.243 1.00 0.30 O ATOM 787 CB VAL A 57 5.376 8.341 0.136 1.00 0.28 C ATOM 788 CG1 VAL A 57 5.691 9.825 0.157 1.00 0.33 C ATOM 789 CG2 VAL A 57 6.323 7.581 1.042 1.00 0.30 C ATOM 0 H VAL A 57 4.267 6.059 0.356 1.00 0.26 H new ATOM 0 HA VAL A 57 3.778 8.554 1.536 1.00 0.27 H new ATOM 0 HB VAL A 57 5.514 7.961 -0.876 1.00 0.28 H new ATOM 0 HG11 VAL A 57 6.729 9.981 -0.135 1.00 0.33 H new ATOM 0 HG12 VAL A 57 5.036 10.346 -0.541 1.00 0.33 H new ATOM 0 HG13 VAL A 57 5.535 10.216 1.162 1.00 0.33 H new ATOM 0 HG21 VAL A 57 7.351 7.759 0.726 1.00 0.30 H new ATOM 0 HG22 VAL A 57 6.195 7.921 2.070 1.00 0.30 H new ATOM 0 HG23 VAL A 57 6.105 6.515 0.983 1.00 0.30 H new ATOM 799 N TYR A 58 2.775 8.122 -1.592 1.00 0.25 N ATOM 800 CA TYR A 58 1.881 8.655 -2.616 1.00 0.27 C ATOM 801 C TYR A 58 0.506 8.921 -2.028 1.00 0.28 C ATOM 802 O TYR A 58 -0.174 9.863 -2.428 1.00 0.29 O ATOM 803 CB TYR A 58 1.757 7.691 -3.792 1.00 0.27 C ATOM 804 CG TYR A 58 2.974 7.643 -4.680 1.00 0.28 C ATOM 805 CD1 TYR A 58 3.207 8.637 -5.619 1.00 0.35 C ATOM 806 CD2 TYR A 58 3.890 6.611 -4.577 1.00 0.28 C ATOM 807 CE1 TYR A 58 4.320 8.608 -6.430 1.00 0.38 C ATOM 808 CE2 TYR A 58 5.011 6.574 -5.387 1.00 0.30 C ATOM 809 CZ TYR A 58 5.221 7.576 -6.311 1.00 0.33 C ATOM 810 OH TYR A 58 6.338 7.551 -7.114 1.00 0.37 O ATOM 0 H TYR A 58 3.181 7.213 -1.815 1.00 0.25 H new ATOM 0 HA TYR A 58 2.307 9.591 -2.978 1.00 0.27 H new ATOM 0 HB2 TYR A 58 1.561 6.690 -3.408 1.00 0.27 H new ATOM 0 HB3 TYR A 58 0.893 7.977 -4.393 1.00 0.27 H new ATOM 0 HD1 TYR A 58 2.502 9.449 -5.716 1.00 0.35 H new ATOM 0 HD2 TYR A 58 3.728 5.824 -3.855 1.00 0.28 H new ATOM 0 HE1 TYR A 58 4.484 9.391 -7.155 1.00 0.38 H new ATOM 0 HE2 TYR A 58 5.719 5.763 -5.296 1.00 0.30 H new ATOM 0 HH TYR A 58 6.874 6.757 -6.905 1.00 0.37 H new ATOM 820 N PHE A 59 0.110 8.090 -1.072 1.00 0.30 N ATOM 821 CA PHE A 59 -1.169 8.249 -0.403 1.00 0.32 C ATOM 822 C PHE A 59 -1.184 9.562 0.374 1.00 0.35 C ATOM 823 O PHE A 59 -2.184 10.281 0.398 1.00 0.42 O ATOM 824 CB PHE A 59 -1.421 7.064 0.522 1.00 0.33 C ATOM 825 CG PHE A 59 -2.823 7.002 1.062 1.00 0.35 C ATOM 826 CD1 PHE A 59 -3.146 7.635 2.252 1.00 0.49 C ATOM 827 CD2 PHE A 59 -3.815 6.308 0.386 1.00 0.29 C ATOM 828 CE1 PHE A 59 -4.430 7.576 2.757 1.00 0.56 C ATOM 829 CE2 PHE A 59 -5.101 6.247 0.886 1.00 0.35 C ATOM 830 CZ PHE A 59 -5.419 6.894 2.046 1.00 0.47 C ATOM 0 H PHE A 59 0.661 7.297 -0.744 1.00 0.30 H new ATOM 0 HA PHE A 59 -1.967 8.279 -1.145 1.00 0.32 H new ATOM 0 HB2 PHE A 59 -1.209 6.142 -0.019 1.00 0.33 H new ATOM 0 HB3 PHE A 59 -0.722 7.112 1.357 1.00 0.33 H new ATOM 0 HD1 PHE A 59 -2.385 8.180 2.790 1.00 0.49 H new ATOM 0 HD2 PHE A 59 -3.579 5.809 -0.542 1.00 0.29 H new ATOM 0 HE1 PHE A 59 -4.667 8.054 3.696 1.00 0.56 H new ATOM 0 HE2 PHE A 59 -5.858 5.686 0.358 1.00 0.35 H new ATOM 0 HZ PHE A 59 -6.435 6.878 2.413 1.00 0.47 H new ATOM 840 N GLU A 60 -0.051 9.874 0.987 1.00 0.34 N ATOM 841 CA GLU A 60 0.132 11.136 1.689 1.00 0.37 C ATOM 842 C GLU A 60 0.324 12.280 0.694 1.00 0.35 C ATOM 843 O GLU A 60 -0.065 13.419 0.952 1.00 0.41 O ATOM 844 CB GLU A 60 1.341 11.038 2.610 1.00 0.39 C ATOM 845 CG GLU A 60 1.149 10.056 3.750 1.00 0.44 C ATOM 846 CD GLU A 60 0.004 10.433 4.665 1.00 0.91 C ATOM 847 OE1 GLU A 60 -0.006 11.576 5.167 1.00 1.42 O ATOM 848 OE2 GLU A 60 -0.905 9.604 4.866 1.00 1.07 O ATOM 0 H GLU A 60 0.764 9.262 1.012 1.00 0.34 H new ATOM 0 HA GLU A 60 -0.759 11.341 2.282 1.00 0.37 H new ATOM 0 HB2 GLU A 60 2.211 10.740 2.025 1.00 0.39 H new ATOM 0 HB3 GLU A 60 1.556 12.024 3.021 1.00 0.39 H new ATOM 0 HG2 GLU A 60 0.968 9.062 3.340 1.00 0.44 H new ATOM 0 HG3 GLU A 60 2.069 9.998 4.332 1.00 0.44 H new ATOM 855 N LYS A 61 0.921 11.952 -0.446 1.00 0.32 N ATOM 856 CA LYS A 61 1.218 12.927 -1.489 1.00 0.33 C ATOM 857 C LYS A 61 -0.047 13.349 -2.239 1.00 0.35 C ATOM 858 O LYS A 61 -0.101 14.428 -2.833 1.00 0.40 O ATOM 859 CB LYS A 61 2.245 12.352 -2.475 1.00 0.33 C ATOM 860 CG LYS A 61 3.630 12.186 -1.871 1.00 0.48 C ATOM 861 CD LYS A 61 4.729 12.212 -2.926 1.00 0.49 C ATOM 862 CE LYS A 61 4.628 11.055 -3.911 1.00 0.36 C ATOM 863 NZ LYS A 61 5.767 11.067 -4.870 1.00 1.10 N ATOM 0 H LYS A 61 1.213 11.002 -0.674 1.00 0.32 H new ATOM 0 HA LYS A 61 1.635 13.812 -1.008 1.00 0.33 H new ATOM 0 HB2 LYS A 61 1.893 11.384 -2.832 1.00 0.33 H new ATOM 0 HB3 LYS A 61 2.311 13.007 -3.344 1.00 0.33 H new ATOM 0 HG2 LYS A 61 3.806 12.982 -1.147 1.00 0.48 H new ATOM 0 HG3 LYS A 61 3.675 11.243 -1.326 1.00 0.48 H new ATOM 0 HD2 LYS A 61 4.680 13.154 -3.472 1.00 0.49 H new ATOM 0 HD3 LYS A 61 5.701 12.180 -2.433 1.00 0.49 H new ATOM 0 HE2 LYS A 61 4.616 10.110 -3.367 1.00 0.36 H new ATOM 0 HE3 LYS A 61 3.687 11.120 -4.458 1.00 0.36 H new ATOM 0 HZ1 LYS A 61 5.820 10.150 -5.357 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 5.624 11.823 -5.570 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 6.654 11.237 -4.354 1.00 1.10 H new ATOM 877 N GLY A 62 -1.061 12.495 -2.205 1.00 0.34 N ATOM 878 CA GLY A 62 -2.292 12.769 -2.925 1.00 0.36 C ATOM 879 C GLY A 62 -2.298 12.123 -4.295 1.00 0.33 C ATOM 880 O GLY A 62 -3.118 12.454 -5.152 1.00 0.35 O ATOM 0 H GLY A 62 -1.054 11.614 -1.690 1.00 0.34 H new ATOM 0 HA2 GLY A 62 -3.140 12.403 -2.347 1.00 0.36 H new ATOM 0 HA3 GLY A 62 -2.419 13.846 -3.031 1.00 0.36 H new ATOM 884 N ASP A 63 -1.378 11.193 -4.492 1.00 0.31 N ATOM 885 CA ASP A 63 -1.235 10.489 -5.759 1.00 0.30 C ATOM 886 C ASP A 63 -1.874 9.115 -5.673 1.00 0.27 C ATOM 887 O ASP A 63 -1.200 8.101 -5.867 1.00 0.32 O ATOM 888 CB ASP A 63 0.242 10.329 -6.107 1.00 0.32 C ATOM 889 CG ASP A 63 0.874 11.592 -6.645 1.00 0.84 C ATOM 890 OD1 ASP A 63 0.785 11.834 -7.866 1.00 1.26 O ATOM 891 OD2 ASP A 63 1.446 12.364 -5.843 1.00 1.26 O ATOM 0 H ASP A 63 -0.708 10.904 -3.779 1.00 0.31 H new ATOM 0 HA ASP A 63 -1.733 11.073 -6.533 1.00 0.30 H new ATOM 0 HB2 ASP A 63 0.785 10.011 -5.217 1.00 0.32 H new ATOM 0 HB3 ASP A 63 0.349 9.535 -6.846 1.00 0.32 H new ATOM 896 N TYR A 64 -3.174 9.086 -5.396 1.00 0.27 N ATOM 897 CA TYR A 64 -3.884 7.836 -5.122 1.00 0.28 C ATOM 898 C TYR A 64 -3.785 6.866 -6.292 1.00 0.29 C ATOM 899 O TYR A 64 -3.785 5.647 -6.097 1.00 0.34 O ATOM 900 CB TYR A 64 -5.347 8.115 -4.761 1.00 0.29 C ATOM 901 CG TYR A 64 -5.484 9.019 -3.560 1.00 0.32 C ATOM 902 CD1 TYR A 64 -5.141 8.573 -2.288 1.00 0.33 C ATOM 903 CD2 TYR A 64 -5.936 10.323 -3.699 1.00 0.35 C ATOM 904 CE1 TYR A 64 -5.251 9.405 -1.191 1.00 0.36 C ATOM 905 CE2 TYR A 64 -6.045 11.161 -2.608 1.00 0.39 C ATOM 906 CZ TYR A 64 -5.701 10.697 -1.355 1.00 0.38 C ATOM 907 OH TYR A 64 -5.809 11.528 -0.262 1.00 0.43 O ATOM 0 H TYR A 64 -3.762 9.918 -5.355 1.00 0.27 H new ATOM 0 HA TYR A 64 -3.403 7.361 -4.267 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -5.848 8.572 -5.615 1.00 0.29 H new ATOM 0 HB3 TYR A 64 -5.855 7.171 -4.561 1.00 0.29 H new ATOM 0 HD1 TYR A 64 -4.784 7.562 -2.156 1.00 0.33 H new ATOM 0 HD2 TYR A 64 -6.207 10.689 -4.678 1.00 0.35 H new ATOM 0 HE1 TYR A 64 -4.985 9.044 -0.208 1.00 0.36 H new ATOM 0 HE2 TYR A 64 -6.397 12.174 -2.734 1.00 0.39 H new ATOM 0 HH TYR A 64 -6.140 12.405 -0.549 1.00 0.43 H new ATOM 917 N ASN A 65 -3.671 7.405 -7.497 1.00 0.31 N ATOM 918 CA ASN A 65 -3.477 6.581 -8.682 1.00 0.37 C ATOM 919 C ASN A 65 -2.215 5.741 -8.548 1.00 0.33 C ATOM 920 O ASN A 65 -2.219 4.543 -8.837 1.00 0.34 O ATOM 921 CB ASN A 65 -3.388 7.439 -9.943 1.00 0.47 C ATOM 922 CG ASN A 65 -4.721 8.028 -10.354 1.00 1.17 C ATOM 923 OD1 ASN A 65 -5.490 7.397 -11.076 1.00 1.66 O ATOM 924 ND2 ASN A 65 -5.001 9.245 -9.908 1.00 2.18 N ATOM 0 H ASN A 65 -3.709 8.408 -7.680 1.00 0.31 H new ATOM 0 HA ASN A 65 -4.341 5.922 -8.769 1.00 0.37 H new ATOM 0 HB2 ASN A 65 -2.676 8.247 -9.776 1.00 0.47 H new ATOM 0 HB3 ASN A 65 -2.997 6.834 -10.761 1.00 0.47 H new ATOM 0 HD21 ASN A 65 -5.882 9.691 -10.162 1.00 2.18 H new ATOM 0 HD22 ASN A 65 -4.335 9.735 -9.310 1.00 2.18 H new ATOM 931 N LYS A 66 -1.146 6.369 -8.074 1.00 0.34 N ATOM 932 CA LYS A 66 0.143 5.707 -7.968 1.00 0.32 C ATOM 933 C LYS A 66 0.191 4.775 -6.763 1.00 0.31 C ATOM 934 O LYS A 66 0.879 3.753 -6.794 1.00 0.32 O ATOM 935 CB LYS A 66 1.264 6.725 -7.844 1.00 0.29 C ATOM 936 CG LYS A 66 2.645 6.112 -7.981 1.00 0.40 C ATOM 937 CD LYS A 66 2.874 5.497 -9.348 1.00 0.63 C ATOM 938 CE LYS A 66 4.271 4.912 -9.438 1.00 0.42 C ATOM 939 NZ LYS A 66 4.554 4.326 -10.775 1.00 0.68 N ATOM 0 H LYS A 66 -1.149 7.338 -7.757 1.00 0.34 H new ATOM 0 HA LYS A 66 0.277 5.122 -8.878 1.00 0.32 H new ATOM 0 HB2 LYS A 66 1.136 7.492 -8.608 1.00 0.29 H new ATOM 0 HB3 LYS A 66 1.189 7.223 -6.877 1.00 0.29 H new ATOM 0 HG2 LYS A 66 3.399 6.878 -7.800 1.00 0.40 H new ATOM 0 HG3 LYS A 66 2.777 5.348 -7.215 1.00 0.40 H new ATOM 0 HD2 LYS A 66 2.134 4.718 -9.532 1.00 0.63 H new ATOM 0 HD3 LYS A 66 2.739 6.253 -10.121 1.00 0.63 H new ATOM 0 HE2 LYS A 66 5.003 5.691 -9.223 1.00 0.42 H new ATOM 0 HE3 LYS A 66 4.390 4.143 -8.675 1.00 0.42 H new ATOM 0 HZ1 LYS A 66 5.519 3.939 -10.787 1.00 0.68 H new ATOM 0 HZ2 LYS A 66 3.874 3.564 -10.971 1.00 0.68 H new ATOM 0 HZ3 LYS A 66 4.467 5.064 -11.503 1.00 0.68 H new ATOM 953 N CYS A 67 -0.523 5.129 -5.699 1.00 0.31 N ATOM 954 CA CYS A 67 -0.530 4.314 -4.500 1.00 0.32 C ATOM 955 C CYS A 67 -1.068 2.931 -4.839 1.00 0.36 C ATOM 956 O CYS A 67 -0.532 1.912 -4.401 1.00 0.39 O ATOM 957 CB CYS A 67 -1.391 4.955 -3.416 1.00 0.33 C ATOM 958 SG CYS A 67 -1.382 6.752 -3.405 1.00 1.29 S ATOM 0 H CYS A 67 -1.099 5.969 -5.647 1.00 0.31 H new ATOM 0 HA CYS A 67 0.489 4.232 -4.122 1.00 0.32 H new ATOM 0 HB2 CYS A 67 -2.418 4.612 -3.539 1.00 0.33 H new ATOM 0 HB3 CYS A 67 -1.050 4.599 -2.444 1.00 0.33 H new ATOM 0 HG CYS A 67 -0.958 7.191 -4.553 1.00 1.29 H new ATOM 964 N ARG A 68 -2.126 2.913 -5.644 1.00 0.38 N ATOM 965 CA ARG A 68 -2.682 1.671 -6.158 1.00 0.45 C ATOM 966 C ARG A 68 -1.657 0.958 -7.031 1.00 0.42 C ATOM 967 O ARG A 68 -1.433 -0.241 -6.874 1.00 0.48 O ATOM 968 CB ARG A 68 -3.966 1.961 -6.947 1.00 0.60 C ATOM 969 CG ARG A 68 -4.526 0.763 -7.704 1.00 1.00 C ATOM 970 CD ARG A 68 -4.043 0.736 -9.145 1.00 1.21 C ATOM 971 NE ARG A 68 -4.501 -0.454 -9.861 1.00 1.92 N ATOM 972 CZ ARG A 68 -4.959 -0.446 -11.112 1.00 2.48 C ATOM 973 NH1 ARG A 68 -5.025 0.692 -11.798 1.00 2.64 N ATOM 974 NH2 ARG A 68 -5.342 -1.582 -11.680 1.00 3.39 N ATOM 0 H ARG A 68 -2.616 3.752 -5.955 1.00 0.38 H new ATOM 0 HA ARG A 68 -2.931 1.017 -5.323 1.00 0.45 H new ATOM 0 HB2 ARG A 68 -4.727 2.327 -6.257 1.00 0.60 H new ATOM 0 HB3 ARG A 68 -3.768 2.763 -7.657 1.00 0.60 H new ATOM 0 HG2 ARG A 68 -4.227 -0.157 -7.202 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -5.615 0.797 -7.685 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -4.398 1.628 -9.662 1.00 1.21 H new ATOM 0 HD3 ARG A 68 -2.954 0.771 -9.162 1.00 1.21 H new ATOM 0 HE ARG A 68 -4.468 -1.348 -9.371 1.00 1.92 H new ATOM 0 HH11 ARG A 68 -4.724 1.566 -11.367 1.00 2.64 H new ATOM 0 HH12 ARG A 68 -5.377 0.691 -12.755 1.00 2.64 H new ATOM 0 HH21 ARG A 68 -5.285 -2.457 -11.159 1.00 3.39 H new ATOM 0 HH22 ARG A 68 -5.693 -1.580 -12.638 1.00 3.39 H new ATOM 988 N GLU A 69 -1.034 1.718 -7.933 1.00 0.38 N ATOM 989 CA GLU A 69 -0.028 1.190 -8.857 1.00 0.37 C ATOM 990 C GLU A 69 0.998 0.316 -8.147 1.00 0.31 C ATOM 991 O GLU A 69 1.199 -0.851 -8.498 1.00 0.34 O ATOM 992 CB GLU A 69 0.710 2.342 -9.545 1.00 0.38 C ATOM 993 CG GLU A 69 -0.109 3.074 -10.588 1.00 0.67 C ATOM 994 CD GLU A 69 -0.565 2.169 -11.708 1.00 1.20 C ATOM 995 OE1 GLU A 69 0.257 1.854 -12.595 1.00 1.19 O ATOM 996 OE2 GLU A 69 -1.748 1.767 -11.708 1.00 2.08 O ATOM 0 H GLU A 69 -1.212 2.716 -8.044 1.00 0.38 H new ATOM 0 HA GLU A 69 -0.558 0.581 -9.589 1.00 0.37 H new ATOM 0 HB2 GLU A 69 1.032 3.056 -8.787 1.00 0.38 H new ATOM 0 HB3 GLU A 69 1.611 1.950 -10.017 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -0.980 3.523 -10.111 1.00 0.67 H new ATOM 0 HG3 GLU A 69 0.483 3.890 -11.003 1.00 0.67 H new ATOM 1003 N LEU A 70 1.632 0.891 -7.139 1.00 0.24 N ATOM 1004 CA LEU A 70 2.754 0.253 -6.477 1.00 0.21 C ATOM 1005 C LEU A 70 2.322 -0.872 -5.548 1.00 0.22 C ATOM 1006 O LEU A 70 3.036 -1.851 -5.404 1.00 0.23 O ATOM 1007 CB LEU A 70 3.559 1.286 -5.699 1.00 0.20 C ATOM 1008 CG LEU A 70 4.279 2.333 -6.546 1.00 0.21 C ATOM 1009 CD1 LEU A 70 5.022 3.297 -5.647 1.00 0.22 C ATOM 1010 CD2 LEU A 70 5.241 1.673 -7.523 1.00 0.24 C ATOM 0 H LEU A 70 1.385 1.805 -6.760 1.00 0.24 H new ATOM 0 HA LEU A 70 3.374 -0.191 -7.256 1.00 0.21 H new ATOM 0 HB2 LEU A 70 2.888 1.800 -5.010 1.00 0.20 H new ATOM 0 HB3 LEU A 70 4.299 0.763 -5.093 1.00 0.20 H new ATOM 0 HG LEU A 70 3.536 2.883 -7.124 1.00 0.21 H new ATOM 0 HD11 LEU A 70 5.534 4.042 -6.256 1.00 0.22 H new ATOM 0 HD12 LEU A 70 4.315 3.795 -4.984 1.00 0.22 H new ATOM 0 HD13 LEU A 70 5.753 2.750 -5.052 1.00 0.22 H new ATOM 0 HD21 LEU A 70 5.741 2.439 -8.115 1.00 0.24 H new ATOM 0 HD22 LEU A 70 5.984 1.099 -6.970 1.00 0.24 H new ATOM 0 HD23 LEU A 70 4.687 1.007 -8.185 1.00 0.24 H new ATOM 1022 N CYS A 71 1.162 -0.744 -4.921 1.00 0.24 N ATOM 1023 CA CYS A 71 0.724 -1.750 -3.958 1.00 0.25 C ATOM 1024 C CYS A 71 0.490 -3.105 -4.619 1.00 0.24 C ATOM 1025 O CYS A 71 1.037 -4.107 -4.171 1.00 0.23 O ATOM 1026 CB CYS A 71 -0.522 -1.291 -3.218 1.00 0.32 C ATOM 1027 SG CYS A 71 -0.255 0.105 -2.107 1.00 1.10 S ATOM 0 H CYS A 71 0.514 0.032 -5.056 1.00 0.24 H new ATOM 0 HA CYS A 71 1.529 -1.873 -3.233 1.00 0.25 H new ATOM 0 HB2 CYS A 71 -1.284 -1.018 -3.948 1.00 0.32 H new ATOM 0 HB3 CYS A 71 -0.917 -2.128 -2.642 1.00 0.32 H new ATOM 0 HG CYS A 71 -0.509 1.214 -2.735 1.00 1.10 H new ATOM 1033 N GLU A 72 -0.295 -3.146 -5.693 1.00 0.25 N ATOM 1034 CA GLU A 72 -0.542 -4.408 -6.391 1.00 0.26 C ATOM 1035 C GLU A 72 0.716 -4.893 -7.108 1.00 0.23 C ATOM 1036 O GLU A 72 0.873 -6.086 -7.371 1.00 0.25 O ATOM 1037 CB GLU A 72 -1.710 -4.286 -7.372 1.00 0.34 C ATOM 1038 CG GLU A 72 -1.744 -2.976 -8.133 1.00 0.87 C ATOM 1039 CD GLU A 72 -2.640 -3.039 -9.347 1.00 1.36 C ATOM 1040 OE1 GLU A 72 -3.876 -2.963 -9.182 1.00 2.09 O ATOM 1041 OE2 GLU A 72 -2.114 -3.160 -10.471 1.00 1.68 O ATOM 0 H GLU A 72 -0.765 -2.335 -6.095 1.00 0.25 H new ATOM 0 HA GLU A 72 -0.814 -5.149 -5.639 1.00 0.26 H new ATOM 0 HB2 GLU A 72 -1.658 -5.108 -8.086 1.00 0.34 H new ATOM 0 HB3 GLU A 72 -2.645 -4.400 -6.823 1.00 0.34 H new ATOM 0 HG2 GLU A 72 -2.090 -2.183 -7.470 1.00 0.87 H new ATOM 0 HG3 GLU A 72 -0.733 -2.713 -8.444 1.00 0.87 H new ATOM 1048 N LYS A 73 1.616 -3.967 -7.413 1.00 0.23 N ATOM 1049 CA LYS A 73 2.920 -4.321 -7.959 1.00 0.23 C ATOM 1050 C LYS A 73 3.743 -5.013 -6.885 1.00 0.20 C ATOM 1051 O LYS A 73 4.322 -6.074 -7.112 1.00 0.21 O ATOM 1052 CB LYS A 73 3.659 -3.074 -8.466 1.00 0.27 C ATOM 1053 CG LYS A 73 5.112 -3.324 -8.867 1.00 0.33 C ATOM 1054 CD LYS A 73 5.265 -3.801 -10.310 1.00 0.57 C ATOM 1055 CE LYS A 73 4.562 -5.123 -10.571 1.00 0.60 C ATOM 1056 NZ LYS A 73 4.843 -5.643 -11.932 1.00 1.23 N ATOM 0 H LYS A 73 1.467 -2.965 -7.292 1.00 0.23 H new ATOM 0 HA LYS A 73 2.776 -4.995 -8.803 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.121 -2.671 -9.325 1.00 0.27 H new ATOM 0 HB3 LYS A 73 3.635 -2.311 -7.688 1.00 0.27 H new ATOM 0 HG2 LYS A 73 5.682 -2.405 -8.733 1.00 0.33 H new ATOM 0 HG3 LYS A 73 5.544 -4.068 -8.198 1.00 0.33 H new ATOM 0 HD2 LYS A 73 4.865 -3.043 -10.983 1.00 0.57 H new ATOM 0 HD3 LYS A 73 6.325 -3.906 -10.543 1.00 0.57 H new ATOM 0 HE2 LYS A 73 4.881 -5.856 -9.830 1.00 0.60 H new ATOM 0 HE3 LYS A 73 3.487 -4.992 -10.448 1.00 0.60 H new ATOM 0 HZ1 LYS A 73 4.504 -6.623 -12.006 1.00 1.23 H new ATOM 0 HZ2 LYS A 73 4.355 -5.054 -12.636 1.00 1.23 H new ATOM 0 HZ3 LYS A 73 5.868 -5.617 -12.109 1.00 1.23 H new ATOM 1070 N ALA A 74 3.770 -4.400 -5.711 1.00 0.19 N ATOM 1071 CA ALA A 74 4.447 -4.956 -4.559 1.00 0.17 C ATOM 1072 C ALA A 74 3.854 -6.295 -4.197 1.00 0.16 C ATOM 1073 O ALA A 74 4.575 -7.228 -3.893 1.00 0.16 O ATOM 1074 CB ALA A 74 4.357 -4.001 -3.384 1.00 0.18 C ATOM 0 H ALA A 74 3.321 -3.501 -5.535 1.00 0.19 H new ATOM 0 HA ALA A 74 5.498 -5.100 -4.809 1.00 0.17 H new ATOM 0 HB1 ALA A 74 4.870 -4.432 -2.525 1.00 0.18 H new ATOM 0 HB2 ALA A 74 4.826 -3.053 -3.649 1.00 0.18 H new ATOM 0 HB3 ALA A 74 3.310 -3.830 -3.133 1.00 0.18 H new ATOM 1080 N ILE A 75 2.537 -6.385 -4.234 1.00 0.16 N ATOM 1081 CA ILE A 75 1.863 -7.640 -3.964 1.00 0.16 C ATOM 1082 C ILE A 75 2.276 -8.691 -4.972 1.00 0.17 C ATOM 1083 O ILE A 75 2.542 -9.826 -4.604 1.00 0.18 O ATOM 1084 CB ILE A 75 0.337 -7.488 -3.977 1.00 0.19 C ATOM 1085 CG1 ILE A 75 -0.100 -6.579 -2.835 1.00 0.20 C ATOM 1086 CG2 ILE A 75 -0.335 -8.850 -3.869 1.00 0.23 C ATOM 1087 CD1 ILE A 75 -1.588 -6.383 -2.759 1.00 0.23 C ATOM 0 H ILE A 75 1.915 -5.606 -4.448 1.00 0.16 H new ATOM 0 HA ILE A 75 2.162 -7.954 -2.964 1.00 0.16 H new ATOM 0 HB ILE A 75 0.033 -7.036 -4.921 1.00 0.19 H new ATOM 0 HG12 ILE A 75 0.252 -6.999 -1.892 1.00 0.20 H new ATOM 0 HG13 ILE A 75 0.381 -5.608 -2.950 1.00 0.20 H new ATOM 0 HG21 ILE A 75 -1.418 -8.723 -3.880 1.00 0.23 H new ATOM 0 HG22 ILE A 75 -0.034 -9.472 -4.712 1.00 0.23 H new ATOM 0 HG23 ILE A 75 -0.035 -9.331 -2.938 1.00 0.23 H new ATOM 0 HD11 ILE A 75 -1.826 -5.725 -1.923 1.00 0.23 H new ATOM 0 HD12 ILE A 75 -1.944 -5.934 -3.687 1.00 0.23 H new ATOM 0 HD13 ILE A 75 -2.075 -7.347 -2.612 1.00 0.23 H new ATOM 1099 N GLU A 76 2.341 -8.306 -6.238 1.00 0.18 N ATOM 1100 CA GLU A 76 2.796 -9.217 -7.277 1.00 0.21 C ATOM 1101 C GLU A 76 4.198 -9.721 -6.946 1.00 0.20 C ATOM 1102 O GLU A 76 4.464 -10.919 -6.979 1.00 0.24 O ATOM 1103 CB GLU A 76 2.795 -8.510 -8.631 1.00 0.24 C ATOM 1104 CG GLU A 76 3.185 -9.407 -9.792 1.00 0.77 C ATOM 1105 CD GLU A 76 3.199 -8.669 -11.109 1.00 1.47 C ATOM 1106 OE1 GLU A 76 2.128 -8.544 -11.738 1.00 1.62 O ATOM 1107 OE2 GLU A 76 4.285 -8.219 -11.533 1.00 2.35 O ATOM 0 H GLU A 76 2.086 -7.375 -6.569 1.00 0.18 H new ATOM 0 HA GLU A 76 2.117 -10.068 -7.327 1.00 0.21 H new ATOM 0 HB2 GLU A 76 1.801 -8.103 -8.817 1.00 0.24 H new ATOM 0 HB3 GLU A 76 3.483 -7.665 -8.590 1.00 0.24 H new ATOM 0 HG2 GLU A 76 4.172 -9.830 -9.605 1.00 0.77 H new ATOM 0 HG3 GLU A 76 2.487 -10.242 -9.854 1.00 0.77 H new ATOM 1114 N VAL A 77 5.067 -8.783 -6.602 1.00 0.21 N ATOM 1115 CA VAL A 77 6.441 -9.070 -6.208 1.00 0.22 C ATOM 1116 C VAL A 77 6.499 -9.944 -4.954 1.00 0.21 C ATOM 1117 O VAL A 77 7.256 -10.914 -4.889 1.00 0.24 O ATOM 1118 CB VAL A 77 7.191 -7.743 -5.944 1.00 0.22 C ATOM 1119 CG1 VAL A 77 8.524 -7.982 -5.263 1.00 0.22 C ATOM 1120 CG2 VAL A 77 7.382 -6.970 -7.242 1.00 0.25 C ATOM 0 H VAL A 77 4.837 -7.789 -6.588 1.00 0.21 H new ATOM 0 HA VAL A 77 6.916 -9.617 -7.023 1.00 0.22 H new ATOM 0 HB VAL A 77 6.579 -7.145 -5.269 1.00 0.22 H new ATOM 0 HG11 VAL A 77 9.022 -7.028 -5.094 1.00 0.22 H new ATOM 0 HG12 VAL A 77 8.360 -8.481 -4.308 1.00 0.22 H new ATOM 0 HG13 VAL A 77 9.149 -8.610 -5.898 1.00 0.22 H new ATOM 0 HG21 VAL A 77 7.911 -6.039 -7.037 1.00 0.25 H new ATOM 0 HG22 VAL A 77 7.963 -7.571 -7.941 1.00 0.25 H new ATOM 0 HG23 VAL A 77 6.409 -6.745 -7.678 1.00 0.25 H new ATOM 1130 N GLY A 78 5.689 -9.596 -3.970 1.00 0.19 N ATOM 1131 CA GLY A 78 5.698 -10.297 -2.708 1.00 0.21 C ATOM 1132 C GLY A 78 5.122 -11.686 -2.819 1.00 0.21 C ATOM 1133 O GLY A 78 5.735 -12.648 -2.379 1.00 0.27 O ATOM 0 H GLY A 78 5.017 -8.830 -4.025 1.00 0.19 H new ATOM 0 HA2 GLY A 78 6.721 -10.359 -2.337 1.00 0.21 H new ATOM 0 HA3 GLY A 78 5.127 -9.727 -1.975 1.00 0.21 H new ATOM 1137 N ARG A 79 3.953 -11.797 -3.427 1.00 0.21 N ATOM 1138 CA ARG A 79 3.299 -13.088 -3.593 1.00 0.28 C ATOM 1139 C ARG A 79 4.120 -13.968 -4.539 1.00 0.28 C ATOM 1140 O ARG A 79 3.993 -15.192 -4.537 1.00 0.33 O ATOM 1141 CB ARG A 79 1.856 -12.890 -4.087 1.00 0.39 C ATOM 1142 CG ARG A 79 1.719 -12.531 -5.557 1.00 0.81 C ATOM 1143 CD ARG A 79 0.283 -12.153 -5.881 1.00 0.89 C ATOM 1144 NE ARG A 79 0.113 -11.757 -7.279 1.00 1.57 N ATOM 1145 CZ ARG A 79 -0.759 -10.836 -7.698 1.00 2.03 C ATOM 1146 NH1 ARG A 79 -1.583 -10.248 -6.835 1.00 2.20 N ATOM 1147 NH2 ARG A 79 -0.816 -10.512 -8.982 1.00 2.63 N ATOM 0 H ARG A 79 3.435 -11.009 -3.815 1.00 0.21 H new ATOM 0 HA ARG A 79 3.244 -13.600 -2.632 1.00 0.28 H new ATOM 0 HB2 ARG A 79 1.296 -13.806 -3.899 1.00 0.39 H new ATOM 0 HB3 ARG A 79 1.390 -12.104 -3.493 1.00 0.39 H new ATOM 0 HG2 ARG A 79 2.383 -11.701 -5.798 1.00 0.81 H new ATOM 0 HG3 ARG A 79 2.027 -13.375 -6.174 1.00 0.81 H new ATOM 0 HD2 ARG A 79 -0.370 -12.998 -5.663 1.00 0.89 H new ATOM 0 HD3 ARG A 79 -0.029 -11.334 -5.233 1.00 0.89 H new ATOM 0 HE ARG A 79 0.698 -12.214 -7.979 1.00 1.57 H new ATOM 0 HH11 ARG A 79 -1.551 -10.500 -5.847 1.00 2.20 H new ATOM 0 HH12 ARG A 79 -2.247 -9.545 -7.161 1.00 2.20 H new ATOM 0 HH21 ARG A 79 -0.194 -10.966 -9.651 1.00 2.63 H new ATOM 0 HH22 ARG A 79 -1.482 -9.809 -9.301 1.00 2.63 H new ATOM 1161 N GLU A 80 4.974 -13.322 -5.329 1.00 0.27 N ATOM 1162 CA GLU A 80 5.956 -14.013 -6.160 1.00 0.32 C ATOM 1163 C GLU A 80 7.041 -14.634 -5.284 1.00 0.31 C ATOM 1164 O GLU A 80 7.346 -15.821 -5.393 1.00 0.37 O ATOM 1165 CB GLU A 80 6.584 -13.022 -7.148 1.00 0.36 C ATOM 1166 CG GLU A 80 7.775 -13.570 -7.920 1.00 0.57 C ATOM 1167 CD GLU A 80 8.303 -12.597 -8.956 1.00 1.18 C ATOM 1168 OE1 GLU A 80 9.149 -11.748 -8.606 1.00 1.96 O ATOM 1169 OE2 GLU A 80 7.882 -12.680 -10.128 1.00 1.22 O ATOM 0 H GLU A 80 5.005 -12.306 -5.411 1.00 0.27 H new ATOM 0 HA GLU A 80 5.457 -14.807 -6.716 1.00 0.32 H new ATOM 0 HB2 GLU A 80 5.821 -12.705 -7.859 1.00 0.36 H new ATOM 0 HB3 GLU A 80 6.899 -12.134 -6.601 1.00 0.36 H new ATOM 0 HG2 GLU A 80 8.573 -13.817 -7.220 1.00 0.57 H new ATOM 0 HG3 GLU A 80 7.486 -14.498 -8.414 1.00 0.57 H new ATOM 1176 N ASN A 81 7.597 -13.817 -4.396 1.00 0.29 N ATOM 1177 CA ASN A 81 8.699 -14.237 -3.530 1.00 0.35 C ATOM 1178 C ASN A 81 8.184 -14.926 -2.264 1.00 0.35 C ATOM 1179 O ASN A 81 8.953 -15.253 -1.361 1.00 0.49 O ATOM 1180 CB ASN A 81 9.566 -13.021 -3.182 1.00 0.40 C ATOM 1181 CG ASN A 81 10.843 -13.373 -2.434 1.00 0.55 C ATOM 1182 OD1 ASN A 81 10.891 -13.338 -1.203 1.00 1.35 O ATOM 1183 ND2 ASN A 81 11.885 -13.717 -3.172 1.00 1.13 N ATOM 0 H ASN A 81 7.301 -12.851 -4.255 1.00 0.29 H new ATOM 0 HA ASN A 81 9.306 -14.967 -4.065 1.00 0.35 H new ATOM 0 HB2 ASN A 81 9.827 -12.497 -4.102 1.00 0.40 H new ATOM 0 HB3 ASN A 81 8.980 -12.330 -2.577 1.00 0.40 H new ATOM 0 HD21 ASN A 81 12.767 -13.965 -2.724 1.00 1.13 H new ATOM 0 HD22 ASN A 81 11.806 -13.734 -4.189 1.00 1.13 H new ATOM 1190 N ARG A 82 6.872 -15.163 -2.219 1.00 0.32 N ATOM 1191 CA ARG A 82 6.227 -15.807 -1.072 1.00 0.37 C ATOM 1192 C ARG A 82 6.408 -14.960 0.186 1.00 0.32 C ATOM 1193 O ARG A 82 6.572 -15.474 1.295 1.00 0.38 O ATOM 1194 CB ARG A 82 6.787 -17.219 -0.859 1.00 0.47 C ATOM 1195 CG ARG A 82 6.684 -18.109 -2.089 1.00 1.04 C ATOM 1196 CD ARG A 82 5.250 -18.233 -2.581 1.00 1.99 C ATOM 1197 NE ARG A 82 5.170 -18.975 -3.836 1.00 2.83 N ATOM 1198 CZ ARG A 82 4.040 -19.197 -4.503 1.00 3.77 C ATOM 1199 NH1 ARG A 82 2.882 -18.762 -4.021 1.00 4.01 N ATOM 1200 NH2 ARG A 82 4.073 -19.862 -5.652 1.00 4.67 N ATOM 0 H ARG A 82 6.229 -14.916 -2.971 1.00 0.32 H new ATOM 0 HA ARG A 82 5.160 -15.892 -1.279 1.00 0.37 H new ATOM 0 HB2 ARG A 82 7.833 -17.145 -0.562 1.00 0.47 H new ATOM 0 HB3 ARG A 82 6.254 -17.691 -0.034 1.00 0.47 H new ATOM 0 HG2 ARG A 82 7.307 -17.701 -2.885 1.00 1.04 H new ATOM 0 HG3 ARG A 82 7.074 -19.099 -1.854 1.00 1.04 H new ATOM 0 HD2 ARG A 82 4.648 -18.734 -1.823 1.00 1.99 H new ATOM 0 HD3 ARG A 82 4.826 -17.239 -2.719 1.00 1.99 H new ATOM 0 HE ARG A 82 6.036 -19.347 -4.227 1.00 2.83 H new ATOM 0 HH11 ARG A 82 2.856 -18.255 -3.136 1.00 4.01 H new ATOM 0 HH12 ARG A 82 2.018 -18.934 -4.536 1.00 4.01 H new ATOM 0 HH21 ARG A 82 4.962 -20.200 -6.020 1.00 4.67 H new ATOM 0 HH22 ARG A 82 3.209 -20.034 -6.166 1.00 4.67 H new ATOM 1214 N GLU A 83 6.357 -13.653 -0.013 1.00 0.27 N ATOM 1215 CA GLU A 83 6.564 -12.676 1.043 1.00 0.27 C ATOM 1216 C GLU A 83 5.324 -12.570 1.934 1.00 0.25 C ATOM 1217 O GLU A 83 4.267 -13.110 1.600 1.00 0.25 O ATOM 1218 CB GLU A 83 6.911 -11.317 0.415 1.00 0.28 C ATOM 1219 CG GLU A 83 7.365 -10.254 1.407 1.00 0.43 C ATOM 1220 CD GLU A 83 8.464 -10.739 2.327 1.00 0.94 C ATOM 1221 OE1 GLU A 83 9.644 -10.694 1.916 1.00 1.15 O ATOM 1222 OE2 GLU A 83 8.156 -11.178 3.455 1.00 1.60 O ATOM 0 H GLU A 83 6.168 -13.236 -0.924 1.00 0.27 H new ATOM 0 HA GLU A 83 7.393 -12.997 1.674 1.00 0.27 H new ATOM 0 HB2 GLU A 83 7.698 -11.464 -0.324 1.00 0.28 H new ATOM 0 HB3 GLU A 83 6.037 -10.946 -0.120 1.00 0.28 H new ATOM 0 HG2 GLU A 83 7.716 -9.379 0.859 1.00 0.43 H new ATOM 0 HG3 GLU A 83 6.512 -9.934 2.005 1.00 0.43 H new ATOM 1229 N ASP A 84 5.495 -11.905 3.071 1.00 0.26 N ATOM 1230 CA ASP A 84 4.441 -11.706 4.065 1.00 0.26 C ATOM 1231 C ASP A 84 3.111 -11.310 3.417 1.00 0.25 C ATOM 1232 O ASP A 84 2.965 -10.202 2.900 1.00 0.26 O ATOM 1233 CB ASP A 84 4.882 -10.617 5.044 1.00 0.29 C ATOM 1234 CG ASP A 84 4.106 -10.646 6.342 1.00 0.44 C ATOM 1235 OD1 ASP A 84 2.984 -10.114 6.382 1.00 0.68 O ATOM 1236 OD2 ASP A 84 4.630 -11.192 7.338 1.00 0.82 O ATOM 0 H ASP A 84 6.384 -11.481 3.335 1.00 0.26 H new ATOM 0 HA ASP A 84 4.282 -12.649 4.588 1.00 0.26 H new ATOM 0 HB2 ASP A 84 5.944 -10.736 5.258 1.00 0.29 H new ATOM 0 HB3 ASP A 84 4.759 -9.641 4.574 1.00 0.29 H new ATOM 1241 N TYR A 85 2.140 -12.220 3.452 1.00 0.26 N ATOM 1242 CA TYR A 85 0.841 -11.970 2.837 1.00 0.26 C ATOM 1243 C TYR A 85 0.012 -11.031 3.701 1.00 0.27 C ATOM 1244 O TYR A 85 -0.941 -10.411 3.233 1.00 0.26 O ATOM 1245 CB TYR A 85 0.077 -13.272 2.596 1.00 0.27 C ATOM 1246 CG TYR A 85 -0.259 -14.035 3.856 1.00 0.29 C ATOM 1247 CD1 TYR A 85 -1.249 -13.587 4.721 1.00 0.34 C ATOM 1248 CD2 TYR A 85 0.415 -15.199 4.179 1.00 0.33 C ATOM 1249 CE1 TYR A 85 -1.554 -14.275 5.872 1.00 0.37 C ATOM 1250 CE2 TYR A 85 0.115 -15.897 5.329 1.00 0.37 C ATOM 1251 CZ TYR A 85 -0.870 -15.431 6.173 1.00 0.38 C ATOM 1252 OH TYR A 85 -1.167 -16.123 7.322 1.00 0.44 O ATOM 0 H TYR A 85 2.228 -13.133 3.898 1.00 0.26 H new ATOM 0 HA TYR A 85 1.020 -11.498 1.871 1.00 0.26 H new ATOM 0 HB2 TYR A 85 -0.847 -13.045 2.065 1.00 0.27 H new ATOM 0 HB3 TYR A 85 0.670 -13.913 1.944 1.00 0.27 H new ATOM 0 HD1 TYR A 85 -1.789 -12.682 4.485 1.00 0.34 H new ATOM 0 HD2 TYR A 85 1.188 -15.566 3.520 1.00 0.33 H new ATOM 0 HE1 TYR A 85 -2.325 -13.911 6.535 1.00 0.37 H new ATOM 0 HE2 TYR A 85 0.649 -16.805 5.568 1.00 0.37 H new ATOM 0 HH TYR A 85 -0.594 -16.916 7.384 1.00 0.44 H new ATOM 1262 N ARG A 86 0.371 -10.947 4.971 1.00 0.30 N ATOM 1263 CA ARG A 86 -0.290 -10.038 5.887 1.00 0.33 C ATOM 1264 C ARG A 86 0.004 -8.615 5.451 1.00 0.32 C ATOM 1265 O ARG A 86 -0.879 -7.756 5.420 1.00 0.32 O ATOM 1266 CB ARG A 86 0.201 -10.276 7.298 1.00 0.40 C ATOM 1267 CG ARG A 86 0.009 -11.700 7.756 1.00 0.44 C ATOM 1268 CD ARG A 86 0.621 -11.892 9.114 1.00 0.55 C ATOM 1269 NE ARG A 86 2.064 -11.657 9.082 1.00 1.57 N ATOM 1270 CZ ARG A 86 2.851 -11.630 10.155 1.00 1.98 C ATOM 1271 NH1 ARG A 86 2.348 -11.833 11.366 1.00 1.57 N ATOM 1272 NH2 ARG A 86 4.148 -11.398 10.008 1.00 3.04 N ATOM 0 H ARG A 86 1.119 -11.500 5.390 1.00 0.30 H new ATOM 0 HA ARG A 86 -1.367 -10.208 5.872 1.00 0.33 H new ATOM 0 HB2 ARG A 86 1.259 -10.021 7.357 1.00 0.40 H new ATOM 0 HB3 ARG A 86 -0.326 -9.607 7.978 1.00 0.40 H new ATOM 0 HG2 ARG A 86 -1.054 -11.939 7.790 1.00 0.44 H new ATOM 0 HG3 ARG A 86 0.467 -12.385 7.042 1.00 0.44 H new ATOM 0 HD2 ARG A 86 0.155 -11.211 9.826 1.00 0.55 H new ATOM 0 HD3 ARG A 86 0.423 -12.905 9.465 1.00 0.55 H new ATOM 0 HE ARG A 86 2.499 -11.503 8.172 1.00 1.57 H new ATOM 0 HH11 ARG A 86 1.350 -12.012 11.480 1.00 1.57 H new ATOM 0 HH12 ARG A 86 2.959 -11.810 12.182 1.00 1.57 H new ATOM 0 HH21 ARG A 86 4.536 -11.242 9.078 1.00 3.04 H new ATOM 0 HH22 ARG A 86 4.758 -11.376 10.825 1.00 3.04 H new ATOM 1286 N GLN A 87 1.264 -8.403 5.097 1.00 0.33 N ATOM 1287 CA GLN A 87 1.732 -7.164 4.500 1.00 0.33 C ATOM 1288 C GLN A 87 1.010 -6.924 3.174 1.00 0.28 C ATOM 1289 O GLN A 87 0.613 -5.802 2.859 1.00 0.28 O ATOM 1290 CB GLN A 87 3.245 -7.271 4.280 1.00 0.39 C ATOM 1291 CG GLN A 87 3.926 -5.977 3.876 1.00 0.49 C ATOM 1292 CD GLN A 87 3.823 -4.894 4.937 1.00 0.57 C ATOM 1293 OE1 GLN A 87 3.778 -3.702 4.625 1.00 1.14 O ATOM 1294 NE2 GLN A 87 3.798 -5.294 6.201 1.00 1.46 N ATOM 0 H GLN A 87 2.000 -9.099 5.219 1.00 0.33 H new ATOM 0 HA GLN A 87 1.520 -6.322 5.159 1.00 0.33 H new ATOM 0 HB2 GLN A 87 3.706 -7.636 5.198 1.00 0.39 H new ATOM 0 HB3 GLN A 87 3.433 -8.019 3.510 1.00 0.39 H new ATOM 0 HG2 GLN A 87 4.978 -6.176 3.669 1.00 0.49 H new ATOM 0 HG3 GLN A 87 3.482 -5.613 2.949 1.00 0.49 H new ATOM 0 HE21 GLN A 87 3.837 -6.289 6.422 1.00 1.46 H new ATOM 0 HE22 GLN A 87 3.740 -4.607 6.952 1.00 1.46 H new ATOM 1303 N ILE A 88 0.839 -8.001 2.411 1.00 0.25 N ATOM 1304 CA ILE A 88 0.079 -7.971 1.162 1.00 0.22 C ATOM 1305 C ILE A 88 -1.345 -7.482 1.382 1.00 0.20 C ATOM 1306 O ILE A 88 -1.863 -6.686 0.602 1.00 0.20 O ATOM 1307 CB ILE A 88 0.071 -9.364 0.495 1.00 0.21 C ATOM 1308 CG1 ILE A 88 1.332 -9.523 -0.331 1.00 0.22 C ATOM 1309 CG2 ILE A 88 -1.162 -9.575 -0.367 1.00 0.20 C ATOM 1310 CD1 ILE A 88 1.541 -10.891 -0.913 1.00 0.23 C ATOM 0 H ILE A 88 1.222 -8.918 2.640 1.00 0.25 H new ATOM 0 HA ILE A 88 0.574 -7.265 0.496 1.00 0.22 H new ATOM 0 HB ILE A 88 0.042 -10.122 1.278 1.00 0.21 H new ATOM 0 HG12 ILE A 88 1.309 -8.798 -1.145 1.00 0.22 H new ATOM 0 HG13 ILE A 88 2.191 -9.275 0.293 1.00 0.22 H new ATOM 0 HG21 ILE A 88 -1.126 -10.567 -0.817 1.00 0.20 H new ATOM 0 HG22 ILE A 88 -2.056 -9.488 0.250 1.00 0.20 H new ATOM 0 HG23 ILE A 88 -1.189 -8.821 -1.154 1.00 0.20 H new ATOM 0 HD11 ILE A 88 2.468 -10.905 -1.486 1.00 0.23 H new ATOM 0 HD12 ILE A 88 1.601 -11.624 -0.108 1.00 0.23 H new ATOM 0 HD13 ILE A 88 0.706 -11.139 -1.568 1.00 0.23 H new ATOM 1322 N ALA A 89 -1.971 -7.949 2.445 1.00 0.21 N ATOM 1323 CA ALA A 89 -3.311 -7.512 2.778 1.00 0.21 C ATOM 1324 C ALA A 89 -3.323 -6.021 3.090 1.00 0.22 C ATOM 1325 O ALA A 89 -4.250 -5.306 2.718 1.00 0.21 O ATOM 1326 CB ALA A 89 -3.849 -8.313 3.948 1.00 0.24 C ATOM 0 H ALA A 89 -1.573 -8.630 3.092 1.00 0.21 H new ATOM 0 HA ALA A 89 -3.959 -7.683 1.918 1.00 0.21 H new ATOM 0 HB1 ALA A 89 -4.857 -7.974 4.188 1.00 0.24 H new ATOM 0 HB2 ALA A 89 -3.875 -9.370 3.684 1.00 0.24 H new ATOM 0 HB3 ALA A 89 -3.203 -8.171 4.814 1.00 0.24 H new ATOM 1332 N LYS A 90 -2.280 -5.543 3.752 1.00 0.24 N ATOM 1333 CA LYS A 90 -2.173 -4.122 4.051 1.00 0.27 C ATOM 1334 C LYS A 90 -1.949 -3.343 2.761 1.00 0.24 C ATOM 1335 O LYS A 90 -2.388 -2.202 2.626 1.00 0.26 O ATOM 1336 CB LYS A 90 -1.046 -3.852 5.051 1.00 0.33 C ATOM 1337 CG LYS A 90 -1.142 -4.683 6.324 1.00 0.46 C ATOM 1338 CD LYS A 90 -2.514 -4.580 6.983 1.00 0.50 C ATOM 1339 CE LYS A 90 -2.810 -3.165 7.463 1.00 0.67 C ATOM 1340 NZ LYS A 90 -4.162 -3.050 8.076 1.00 1.26 N ATOM 0 H LYS A 90 -1.503 -6.111 4.090 1.00 0.24 H new ATOM 0 HA LYS A 90 -3.105 -3.790 4.510 1.00 0.27 H new ATOM 0 HB2 LYS A 90 -0.089 -4.052 4.569 1.00 0.33 H new ATOM 0 HB3 LYS A 90 -1.054 -2.795 5.317 1.00 0.33 H new ATOM 0 HG2 LYS A 90 -0.932 -5.727 6.090 1.00 0.46 H new ATOM 0 HG3 LYS A 90 -0.378 -4.354 7.028 1.00 0.46 H new ATOM 0 HD2 LYS A 90 -3.281 -4.891 6.274 1.00 0.50 H new ATOM 0 HD3 LYS A 90 -2.563 -5.267 7.827 1.00 0.50 H new ATOM 0 HE2 LYS A 90 -2.056 -2.865 8.191 1.00 0.67 H new ATOM 0 HE3 LYS A 90 -2.734 -2.475 6.623 1.00 0.67 H new ATOM 0 HZ1 LYS A 90 -4.320 -2.070 8.388 1.00 1.26 H new ATOM 0 HZ2 LYS A 90 -4.884 -3.311 7.375 1.00 1.26 H new ATOM 0 HZ3 LYS A 90 -4.228 -3.689 8.894 1.00 1.26 H new ATOM 1354 N ALA A 91 -1.272 -3.980 1.812 1.00 0.23 N ATOM 1355 CA ALA A 91 -1.108 -3.421 0.479 1.00 0.22 C ATOM 1356 C ALA A 91 -2.458 -3.335 -0.223 1.00 0.19 C ATOM 1357 O ALA A 91 -2.791 -2.313 -0.817 1.00 0.20 O ATOM 1358 CB ALA A 91 -0.122 -4.254 -0.334 1.00 0.22 C ATOM 0 H ALA A 91 -0.827 -4.888 1.944 1.00 0.23 H new ATOM 0 HA ALA A 91 -0.702 -2.413 0.568 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -0.012 -3.820 -1.328 1.00 0.22 H new ATOM 0 HB2 ALA A 91 0.846 -4.263 0.167 1.00 0.22 H new ATOM 0 HB3 ALA A 91 -0.494 -5.275 -0.422 1.00 0.22 H new ATOM 1364 N TYR A 92 -3.237 -4.410 -0.128 1.00 0.17 N ATOM 1365 CA TYR A 92 -4.588 -4.437 -0.685 1.00 0.16 C ATOM 1366 C TYR A 92 -5.453 -3.359 -0.074 1.00 0.16 C ATOM 1367 O TYR A 92 -6.203 -2.679 -0.774 1.00 0.16 O ATOM 1368 CB TYR A 92 -5.255 -5.788 -0.452 1.00 0.15 C ATOM 1369 CG TYR A 92 -4.877 -6.840 -1.455 1.00 0.15 C ATOM 1370 CD1 TYR A 92 -5.141 -6.656 -2.797 1.00 0.20 C ATOM 1371 CD2 TYR A 92 -4.247 -8.011 -1.060 1.00 0.16 C ATOM 1372 CE1 TYR A 92 -4.794 -7.609 -3.727 1.00 0.22 C ATOM 1373 CE2 TYR A 92 -3.890 -8.973 -1.984 1.00 0.18 C ATOM 1374 CZ TYR A 92 -4.191 -8.798 -3.297 1.00 0.21 C ATOM 1375 OH TYR A 92 -3.812 -9.723 -4.248 1.00 0.24 O ATOM 0 H TYR A 92 -2.955 -5.276 0.331 1.00 0.17 H new ATOM 0 HA TYR A 92 -4.490 -4.261 -1.756 1.00 0.16 H new ATOM 0 HB2 TYR A 92 -4.995 -6.142 0.545 1.00 0.15 H new ATOM 0 HB3 TYR A 92 -6.337 -5.655 -0.471 1.00 0.15 H new ATOM 0 HD1 TYR A 92 -5.628 -5.749 -3.123 1.00 0.20 H new ATOM 0 HD2 TYR A 92 -4.032 -8.173 -0.014 1.00 0.16 H new ATOM 0 HE1 TYR A 92 -4.984 -7.442 -4.777 1.00 0.22 H new ATOM 0 HE2 TYR A 92 -3.372 -9.864 -1.663 1.00 0.18 H new ATOM 0 HH TYR A 92 -3.406 -10.498 -3.807 1.00 0.24 H new ATOM 1385 N ALA A 93 -5.348 -3.213 1.234 1.00 0.20 N ATOM 1386 CA ALA A 93 -6.116 -2.214 1.942 1.00 0.21 C ATOM 1387 C ALA A 93 -5.766 -0.828 1.437 1.00 0.23 C ATOM 1388 O ALA A 93 -6.639 0.004 1.247 1.00 0.26 O ATOM 1389 CB ALA A 93 -5.874 -2.314 3.435 1.00 0.25 C ATOM 0 H ALA A 93 -4.737 -3.776 1.825 1.00 0.20 H new ATOM 0 HA ALA A 93 -7.175 -2.394 1.756 1.00 0.21 H new ATOM 0 HB1 ALA A 93 -6.461 -1.554 3.950 1.00 0.25 H new ATOM 0 HB2 ALA A 93 -6.171 -3.302 3.786 1.00 0.25 H new ATOM 0 HB3 ALA A 93 -4.815 -2.158 3.643 1.00 0.25 H new ATOM 1395 N ARG A 94 -4.483 -0.602 1.196 1.00 0.24 N ATOM 1396 CA ARG A 94 -4.011 0.683 0.703 1.00 0.27 C ATOM 1397 C ARG A 94 -4.467 0.911 -0.737 1.00 0.24 C ATOM 1398 O ARG A 94 -4.751 2.043 -1.133 1.00 0.27 O ATOM 1399 CB ARG A 94 -2.488 0.755 0.822 1.00 0.34 C ATOM 1400 CG ARG A 94 -1.897 2.103 0.445 1.00 0.77 C ATOM 1401 CD ARG A 94 -0.466 2.222 0.938 1.00 0.53 C ATOM 1402 NE ARG A 94 -0.399 2.206 2.400 1.00 0.72 N ATOM 1403 CZ ARG A 94 0.536 1.570 3.106 1.00 0.69 C ATOM 1404 NH1 ARG A 94 1.509 0.911 2.493 1.00 1.50 N ATOM 1405 NH2 ARG A 94 0.504 1.608 4.433 1.00 0.88 N ATOM 0 H ARG A 94 -3.748 -1.295 1.335 1.00 0.24 H new ATOM 0 HA ARG A 94 -4.443 1.478 1.312 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -2.203 0.520 1.848 1.00 0.34 H new ATOM 0 HB3 ARG A 94 -2.048 -0.013 0.185 1.00 0.34 H new ATOM 0 HG2 ARG A 94 -1.925 2.227 -0.638 1.00 0.77 H new ATOM 0 HG3 ARG A 94 -2.501 2.903 0.873 1.00 0.77 H new ATOM 0 HD2 ARG A 94 0.128 1.401 0.537 1.00 0.53 H new ATOM 0 HD3 ARG A 94 -0.026 3.146 0.563 1.00 0.53 H new ATOM 0 HE ARG A 94 -1.117 2.717 2.914 1.00 0.72 H new ATOM 0 HH11 ARG A 94 1.546 0.888 1.474 1.00 1.50 H new ATOM 0 HH12 ARG A 94 2.221 0.427 3.040 1.00 1.50 H new ATOM 0 HH21 ARG A 94 -0.235 2.123 4.911 1.00 0.88 H new ATOM 0 HH22 ARG A 94 1.219 1.122 4.975 1.00 0.88 H new ATOM 1419 N ILE A 95 -4.548 -0.165 -1.516 1.00 0.21 N ATOM 1420 CA ILE A 95 -5.129 -0.087 -2.853 1.00 0.21 C ATOM 1421 C ILE A 95 -6.589 0.318 -2.740 1.00 0.20 C ATOM 1422 O ILE A 95 -7.040 1.259 -3.390 1.00 0.24 O ATOM 1423 CB ILE A 95 -5.034 -1.428 -3.617 1.00 0.19 C ATOM 1424 CG1 ILE A 95 -3.588 -1.871 -3.730 1.00 0.26 C ATOM 1425 CG2 ILE A 95 -5.637 -1.299 -5.005 1.00 0.28 C ATOM 1426 CD1 ILE A 95 -3.414 -3.217 -4.395 1.00 0.22 C ATOM 0 H ILE A 95 -4.222 -1.093 -1.247 1.00 0.21 H new ATOM 0 HA ILE A 95 -4.561 0.654 -3.415 1.00 0.21 H new ATOM 0 HB ILE A 95 -5.595 -2.176 -3.057 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -3.031 -1.123 -4.294 1.00 0.26 H new ATOM 0 HG13 ILE A 95 -3.150 -1.909 -2.733 1.00 0.26 H new ATOM 0 HG21 ILE A 95 -5.560 -2.254 -5.525 1.00 0.28 H new ATOM 0 HG22 ILE A 95 -6.686 -1.015 -4.921 1.00 0.28 H new ATOM 0 HG23 ILE A 95 -5.098 -0.535 -5.566 1.00 0.28 H new ATOM 0 HD11 ILE A 95 -2.354 -3.466 -4.440 1.00 0.22 H new ATOM 0 HD12 ILE A 95 -3.942 -3.978 -3.820 1.00 0.22 H new ATOM 0 HD13 ILE A 95 -3.821 -3.179 -5.406 1.00 0.22 H new ATOM 1438 N GLY A 96 -7.313 -0.382 -1.881 1.00 0.17 N ATOM 1439 CA GLY A 96 -8.693 -0.045 -1.636 1.00 0.18 C ATOM 1440 C GLY A 96 -8.842 1.370 -1.115 1.00 0.20 C ATOM 1441 O GLY A 96 -9.757 2.084 -1.503 1.00 0.23 O ATOM 0 H GLY A 96 -6.965 -1.180 -1.349 1.00 0.17 H new ATOM 0 HA2 GLY A 96 -9.263 -0.155 -2.558 1.00 0.18 H new ATOM 0 HA3 GLY A 96 -9.116 -0.744 -0.915 1.00 0.18 H new ATOM 1445 N ASN A 97 -7.917 1.775 -0.251 1.00 0.20 N ATOM 1446 CA ASN A 97 -7.945 3.107 0.340 1.00 0.25 C ATOM 1447 C ASN A 97 -7.714 4.187 -0.708 1.00 0.25 C ATOM 1448 O ASN A 97 -8.363 5.229 -0.674 1.00 0.27 O ATOM 1449 CB ASN A 97 -6.907 3.245 1.462 1.00 0.31 C ATOM 1450 CG ASN A 97 -7.298 2.503 2.729 1.00 0.72 C ATOM 1451 OD1 ASN A 97 -8.477 2.348 3.035 1.00 1.32 O ATOM 1452 ND2 ASN A 97 -6.307 2.042 3.476 1.00 1.64 N ATOM 0 H ASN A 97 -7.135 1.196 0.056 1.00 0.20 H new ATOM 0 HA ASN A 97 -8.939 3.242 0.766 1.00 0.25 H new ATOM 0 HB2 ASN A 97 -5.947 2.869 1.109 1.00 0.31 H new ATOM 0 HB3 ASN A 97 -6.770 4.301 1.694 1.00 0.31 H new ATOM 0 HD21 ASN A 97 -6.511 1.538 4.339 1.00 1.64 H new ATOM 0 HD22 ASN A 97 -5.340 2.191 3.188 1.00 1.64 H new ATOM 1459 N SER A 98 -6.792 3.948 -1.637 1.00 0.26 N ATOM 1460 CA SER A 98 -6.521 4.920 -2.689 1.00 0.29 C ATOM 1461 C SER A 98 -7.778 5.149 -3.526 1.00 0.29 C ATOM 1462 O SER A 98 -8.117 6.285 -3.860 1.00 0.32 O ATOM 1463 CB SER A 98 -5.340 4.469 -3.564 1.00 0.32 C ATOM 1464 OG SER A 98 -5.597 3.240 -4.222 1.00 0.94 O ATOM 0 H SER A 98 -6.227 3.100 -1.682 1.00 0.26 H new ATOM 0 HA SER A 98 -6.240 5.866 -2.227 1.00 0.29 H new ATOM 0 HB2 SER A 98 -5.126 5.238 -4.306 1.00 0.32 H new ATOM 0 HB3 SER A 98 -4.449 4.367 -2.944 1.00 0.32 H new ATOM 0 HG SER A 98 -5.830 2.557 -3.559 1.00 0.94 H new ATOM 1470 N TYR A 99 -8.484 4.062 -3.817 1.00 0.28 N ATOM 1471 CA TYR A 99 -9.759 4.134 -4.516 1.00 0.29 C ATOM 1472 C TYR A 99 -10.814 4.791 -3.634 1.00 0.28 C ATOM 1473 O TYR A 99 -11.610 5.606 -4.093 1.00 0.31 O ATOM 1474 CB TYR A 99 -10.223 2.734 -4.909 1.00 0.26 C ATOM 1475 CG TYR A 99 -9.474 2.141 -6.071 1.00 0.29 C ATOM 1476 CD1 TYR A 99 -9.603 2.682 -7.337 1.00 0.36 C ATOM 1477 CD2 TYR A 99 -8.662 1.031 -5.910 1.00 0.28 C ATOM 1478 CE1 TYR A 99 -8.948 2.141 -8.415 1.00 0.40 C ATOM 1479 CE2 TYR A 99 -7.993 0.479 -6.982 1.00 0.32 C ATOM 1480 CZ TYR A 99 -8.140 1.038 -8.237 1.00 0.37 C ATOM 1481 OH TYR A 99 -7.483 0.490 -9.314 1.00 0.43 O ATOM 0 H TYR A 99 -8.191 3.115 -3.577 1.00 0.28 H new ATOM 0 HA TYR A 99 -9.624 4.735 -5.415 1.00 0.29 H new ATOM 0 HB2 TYR A 99 -10.118 2.073 -4.048 1.00 0.26 H new ATOM 0 HB3 TYR A 99 -11.284 2.771 -5.155 1.00 0.26 H new ATOM 0 HD1 TYR A 99 -10.232 3.548 -7.480 1.00 0.36 H new ATOM 0 HD2 TYR A 99 -8.551 0.591 -4.930 1.00 0.28 H new ATOM 0 HE1 TYR A 99 -9.065 2.576 -9.396 1.00 0.40 H new ATOM 0 HE2 TYR A 99 -7.359 -0.384 -6.842 1.00 0.32 H new ATOM 0 HH TYR A 99 -6.955 -0.280 -9.018 1.00 0.43 H new ATOM 1491 N PHE A 100 -10.798 4.420 -2.363 1.00 0.26 N ATOM 1492 CA PHE A 100 -11.717 4.950 -1.364 1.00 0.27 C ATOM 1493 C PHE A 100 -11.655 6.474 -1.324 1.00 0.32 C ATOM 1494 O PHE A 100 -12.682 7.148 -1.280 1.00 0.40 O ATOM 1495 CB PHE A 100 -11.344 4.358 -0.003 1.00 0.25 C ATOM 1496 CG PHE A 100 -12.273 4.687 1.130 1.00 0.28 C ATOM 1497 CD1 PHE A 100 -13.517 4.082 1.229 1.00 0.28 C ATOM 1498 CD2 PHE A 100 -11.919 5.635 2.070 1.00 0.38 C ATOM 1499 CE1 PHE A 100 -14.383 4.413 2.254 1.00 0.32 C ATOM 1500 CE2 PHE A 100 -12.782 5.975 3.092 1.00 0.43 C ATOM 1501 CZ PHE A 100 -13.969 5.225 3.263 1.00 0.37 C ATOM 0 H PHE A 100 -10.140 3.735 -1.991 1.00 0.26 H new ATOM 0 HA PHE A 100 -12.739 4.673 -1.621 1.00 0.27 H new ATOM 0 HB2 PHE A 100 -11.292 3.274 -0.102 1.00 0.25 H new ATOM 0 HB3 PHE A 100 -10.344 4.703 0.260 1.00 0.25 H new ATOM 0 HD1 PHE A 100 -13.812 3.344 0.497 1.00 0.28 H new ATOM 0 HD2 PHE A 100 -10.954 6.116 2.004 1.00 0.38 H new ATOM 0 HE1 PHE A 100 -15.391 4.026 2.254 1.00 0.32 H new ATOM 0 HE2 PHE A 100 -12.555 6.800 3.750 1.00 0.43 H new ATOM 0 HZ PHE A 100 -14.537 5.296 4.179 1.00 0.37 H new ATOM 1511 N LYS A 101 -10.445 7.014 -1.368 1.00 0.32 N ATOM 1512 CA LYS A 101 -10.256 8.460 -1.328 1.00 0.38 C ATOM 1513 C LYS A 101 -10.652 9.098 -2.654 1.00 0.41 C ATOM 1514 O LYS A 101 -11.063 10.257 -2.696 1.00 0.51 O ATOM 1515 CB LYS A 101 -8.798 8.816 -1.016 1.00 0.44 C ATOM 1516 CG LYS A 101 -8.220 8.107 0.202 1.00 0.57 C ATOM 1517 CD LYS A 101 -9.066 8.317 1.449 1.00 0.68 C ATOM 1518 CE LYS A 101 -9.003 9.755 1.933 1.00 0.63 C ATOM 1519 NZ LYS A 101 -9.861 9.973 3.125 1.00 0.74 N ATOM 0 H LYS A 101 -9.581 6.476 -1.431 1.00 0.32 H new ATOM 0 HA LYS A 101 -10.897 8.848 -0.536 1.00 0.38 H new ATOM 0 HB2 LYS A 101 -8.185 8.576 -1.885 1.00 0.44 H new ATOM 0 HB3 LYS A 101 -8.725 9.893 -0.862 1.00 0.44 H new ATOM 0 HG2 LYS A 101 -8.141 7.040 -0.005 1.00 0.57 H new ATOM 0 HG3 LYS A 101 -7.209 8.471 0.386 1.00 0.57 H new ATOM 0 HD2 LYS A 101 -10.101 8.049 1.236 1.00 0.68 H new ATOM 0 HD3 LYS A 101 -8.721 7.651 2.240 1.00 0.68 H new ATOM 0 HE2 LYS A 101 -7.972 10.012 2.175 1.00 0.63 H new ATOM 0 HE3 LYS A 101 -9.318 10.423 1.131 1.00 0.63 H new ATOM 0 HZ1 LYS A 101 -9.792 10.966 3.426 1.00 0.74 H new ATOM 0 HZ2 LYS A 101 -10.849 9.752 2.887 1.00 0.74 H new ATOM 0 HZ3 LYS A 101 -9.544 9.354 3.899 1.00 0.74 H new ATOM 1533 N GLU A 102 -10.535 8.338 -3.737 1.00 0.37 N ATOM 1534 CA GLU A 102 -10.764 8.878 -5.070 1.00 0.40 C ATOM 1535 C GLU A 102 -12.217 8.667 -5.515 1.00 0.39 C ATOM 1536 O GLU A 102 -12.583 9.000 -6.648 1.00 0.42 O ATOM 1537 CB GLU A 102 -9.794 8.240 -6.057 1.00 0.40 C ATOM 1538 CG GLU A 102 -10.323 6.994 -6.744 1.00 0.38 C ATOM 1539 CD GLU A 102 -9.334 6.441 -7.744 1.00 0.44 C ATOM 1540 OE1 GLU A 102 -8.472 5.629 -7.346 1.00 0.45 O ATOM 1541 OE2 GLU A 102 -9.429 6.788 -8.936 1.00 0.57 O ATOM 0 H GLU A 102 -10.284 7.350 -3.718 1.00 0.37 H new ATOM 0 HA GLU A 102 -10.586 9.953 -5.044 1.00 0.40 H new ATOM 0 HB2 GLU A 102 -9.533 8.976 -6.818 1.00 0.40 H new ATOM 0 HB3 GLU A 102 -8.874 7.986 -5.530 1.00 0.40 H new ATOM 0 HG2 GLU A 102 -10.547 6.234 -5.996 1.00 0.38 H new ATOM 0 HG3 GLU A 102 -11.259 7.228 -7.250 1.00 0.38 H new ATOM 1548 N GLU A 103 -13.021 8.100 -4.609 1.00 0.36 N ATOM 1549 CA GLU A 103 -14.458 7.871 -4.823 1.00 0.35 C ATOM 1550 C GLU A 103 -14.709 6.621 -5.679 1.00 0.35 C ATOM 1551 O GLU A 103 -15.827 6.364 -6.119 1.00 0.45 O ATOM 1552 CB GLU A 103 -15.125 9.111 -5.442 1.00 0.38 C ATOM 1553 CG GLU A 103 -16.646 9.077 -5.434 1.00 1.11 C ATOM 1554 CD GLU A 103 -17.253 10.294 -6.093 1.00 1.17 C ATOM 1555 OE1 GLU A 103 -17.485 10.259 -7.322 1.00 1.47 O ATOM 1556 OE2 GLU A 103 -17.494 11.298 -5.387 1.00 1.31 O ATOM 0 H GLU A 103 -12.691 7.783 -3.697 1.00 0.36 H new ATOM 0 HA GLU A 103 -14.913 7.694 -3.848 1.00 0.35 H new ATOM 0 HB2 GLU A 103 -14.791 9.996 -4.901 1.00 0.38 H new ATOM 0 HB3 GLU A 103 -14.782 9.218 -6.471 1.00 0.38 H new ATOM 0 HG2 GLU A 103 -16.989 8.179 -5.948 1.00 1.11 H new ATOM 0 HG3 GLU A 103 -17.000 9.010 -4.405 1.00 1.11 H new ATOM 1563 N LYS A 104 -13.673 5.821 -5.888 1.00 0.32 N ATOM 1564 CA LYS A 104 -13.825 4.551 -6.587 1.00 0.31 C ATOM 1565 C LYS A 104 -14.078 3.439 -5.580 1.00 0.28 C ATOM 1566 O LYS A 104 -13.262 2.538 -5.396 1.00 0.27 O ATOM 1567 CB LYS A 104 -12.594 4.232 -7.431 1.00 0.34 C ATOM 1568 CG LYS A 104 -12.553 4.972 -8.758 1.00 0.64 C ATOM 1569 CD LYS A 104 -11.437 4.463 -9.653 1.00 0.47 C ATOM 1570 CE LYS A 104 -11.380 5.228 -10.966 1.00 1.11 C ATOM 1571 NZ LYS A 104 -12.612 5.054 -11.778 1.00 1.89 N ATOM 0 H LYS A 104 -12.721 6.027 -5.585 1.00 0.32 H new ATOM 0 HA LYS A 104 -14.678 4.630 -7.261 1.00 0.31 H new ATOM 0 HB2 LYS A 104 -11.699 4.479 -6.860 1.00 0.34 H new ATOM 0 HB3 LYS A 104 -12.564 3.159 -7.622 1.00 0.34 H new ATOM 0 HG2 LYS A 104 -13.509 4.857 -9.268 1.00 0.64 H new ATOM 0 HG3 LYS A 104 -12.415 6.038 -8.576 1.00 0.64 H new ATOM 0 HD2 LYS A 104 -10.483 4.557 -9.135 1.00 0.47 H new ATOM 0 HD3 LYS A 104 -11.587 3.402 -9.855 1.00 0.47 H new ATOM 0 HE2 LYS A 104 -11.231 6.288 -10.759 1.00 1.11 H new ATOM 0 HE3 LYS A 104 -10.518 4.891 -11.542 1.00 1.11 H new ATOM 0 HZ1 LYS A 104 -12.461 5.450 -12.728 1.00 1.89 H new ATOM 0 HZ2 LYS A 104 -12.836 4.041 -11.857 1.00 1.89 H new ATOM 0 HZ3 LYS A 104 -13.403 5.549 -11.319 1.00 1.89 H new ATOM 1585 N TYR A 105 -15.223 3.519 -4.933 1.00 0.28 N ATOM 1586 CA TYR A 105 -15.577 2.598 -3.859 1.00 0.25 C ATOM 1587 C TYR A 105 -15.793 1.179 -4.369 1.00 0.26 C ATOM 1588 O TYR A 105 -15.529 0.218 -3.648 1.00 0.25 O ATOM 1589 CB TYR A 105 -16.826 3.079 -3.129 1.00 0.26 C ATOM 1590 CG TYR A 105 -16.678 4.459 -2.543 1.00 0.29 C ATOM 1591 CD1 TYR A 105 -15.777 4.701 -1.518 1.00 0.29 C ATOM 1592 CD2 TYR A 105 -17.424 5.523 -3.027 1.00 0.34 C ATOM 1593 CE1 TYR A 105 -15.623 5.962 -0.988 1.00 0.34 C ATOM 1594 CE2 TYR A 105 -17.275 6.791 -2.507 1.00 0.39 C ATOM 1595 CZ TYR A 105 -16.371 7.008 -1.486 1.00 0.38 C ATOM 1596 OH TYR A 105 -16.215 8.271 -0.960 1.00 0.46 O ATOM 0 H TYR A 105 -15.936 4.220 -5.132 1.00 0.28 H new ATOM 0 HA TYR A 105 -14.736 2.580 -3.166 1.00 0.25 H new ATOM 0 HB2 TYR A 105 -17.668 3.074 -3.821 1.00 0.26 H new ATOM 0 HB3 TYR A 105 -17.065 2.376 -2.331 1.00 0.26 H new ATOM 0 HD1 TYR A 105 -15.185 3.886 -1.128 1.00 0.29 H new ATOM 0 HD2 TYR A 105 -18.133 5.356 -3.824 1.00 0.34 H new ATOM 0 HE1 TYR A 105 -14.920 6.131 -0.186 1.00 0.34 H new ATOM 0 HE2 TYR A 105 -17.862 7.610 -2.896 1.00 0.39 H new ATOM 0 HH TYR A 105 -16.814 8.894 -1.422 1.00 0.46 H new ATOM 1606 N LYS A 106 -16.264 1.039 -5.604 1.00 0.31 N ATOM 1607 CA LYS A 106 -16.473 -0.287 -6.179 1.00 0.35 C ATOM 1608 C LYS A 106 -15.146 -1.028 -6.271 1.00 0.31 C ATOM 1609 O LYS A 106 -15.068 -2.230 -6.005 1.00 0.31 O ATOM 1610 CB LYS A 106 -17.124 -0.198 -7.562 1.00 0.44 C ATOM 1611 CG LYS A 106 -18.495 0.454 -7.555 1.00 0.56 C ATOM 1612 CD LYS A 106 -19.112 0.469 -8.941 1.00 0.78 C ATOM 1613 CE LYS A 106 -20.529 1.021 -8.917 1.00 0.94 C ATOM 1614 NZ LYS A 106 -21.450 0.154 -8.139 1.00 1.57 N ATOM 0 H LYS A 106 -16.506 1.815 -6.220 1.00 0.31 H new ATOM 0 HA LYS A 106 -17.149 -0.837 -5.525 1.00 0.35 H new ATOM 0 HB2 LYS A 106 -16.468 0.365 -8.226 1.00 0.44 H new ATOM 0 HB3 LYS A 106 -17.212 -1.202 -7.977 1.00 0.44 H new ATOM 0 HG2 LYS A 106 -19.151 -0.083 -6.870 1.00 0.56 H new ATOM 0 HG3 LYS A 106 -18.411 1.475 -7.182 1.00 0.56 H new ATOM 0 HD2 LYS A 106 -18.497 1.074 -9.607 1.00 0.78 H new ATOM 0 HD3 LYS A 106 -19.122 -0.543 -9.347 1.00 0.78 H new ATOM 0 HE2 LYS A 106 -20.521 2.022 -8.485 1.00 0.94 H new ATOM 0 HE3 LYS A 106 -20.898 1.118 -9.938 1.00 0.94 H new ATOM 0 HZ1 LYS A 106 -22.434 0.425 -8.339 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 -21.303 -0.839 -8.409 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 -21.259 0.268 -7.123 1.00 1.57 H new ATOM 1628 N ASP A 107 -14.100 -0.294 -6.626 1.00 0.30 N ATOM 1629 CA ASP A 107 -12.755 -0.849 -6.669 1.00 0.29 C ATOM 1630 C ASP A 107 -12.188 -0.944 -5.261 1.00 0.23 C ATOM 1631 O ASP A 107 -11.461 -1.885 -4.939 1.00 0.21 O ATOM 1632 CB ASP A 107 -11.832 0.004 -7.544 1.00 0.33 C ATOM 1633 CG ASP A 107 -12.150 -0.099 -9.021 1.00 0.46 C ATOM 1634 OD1 ASP A 107 -13.027 0.651 -9.501 1.00 0.64 O ATOM 1635 OD2 ASP A 107 -11.529 -0.933 -9.714 1.00 0.67 O ATOM 0 H ASP A 107 -14.158 0.690 -6.889 1.00 0.30 H new ATOM 0 HA ASP A 107 -12.814 -1.846 -7.106 1.00 0.29 H new ATOM 0 HB2 ASP A 107 -11.909 1.046 -7.234 1.00 0.33 H new ATOM 0 HB3 ASP A 107 -10.799 -0.303 -7.379 1.00 0.33 H new ATOM 1640 N ALA A 108 -12.534 0.036 -4.427 1.00 0.22 N ATOM 1641 CA ALA A 108 -12.115 0.050 -3.031 1.00 0.18 C ATOM 1642 C ALA A 108 -12.500 -1.257 -2.349 1.00 0.16 C ATOM 1643 O ALA A 108 -11.636 -2.005 -1.898 1.00 0.16 O ATOM 1644 CB ALA A 108 -12.726 1.238 -2.290 1.00 0.18 C ATOM 0 H ALA A 108 -13.107 0.835 -4.699 1.00 0.22 H new ATOM 0 HA ALA A 108 -11.030 0.154 -3.002 1.00 0.18 H new ATOM 0 HB1 ALA A 108 -12.398 1.226 -1.251 1.00 0.18 H new ATOM 0 HB2 ALA A 108 -12.403 2.166 -2.762 1.00 0.18 H new ATOM 0 HB3 ALA A 108 -13.813 1.171 -2.328 1.00 0.18 H new ATOM 1650 N ILE A 109 -13.800 -1.533 -2.316 1.00 0.17 N ATOM 1651 CA ILE A 109 -14.335 -2.741 -1.693 1.00 0.18 C ATOM 1652 C ILE A 109 -13.731 -4.000 -2.312 1.00 0.19 C ATOM 1653 O ILE A 109 -13.474 -4.983 -1.614 1.00 0.20 O ATOM 1654 CB ILE A 109 -15.875 -2.771 -1.825 1.00 0.21 C ATOM 1655 CG1 ILE A 109 -16.475 -1.613 -1.040 1.00 0.22 C ATOM 1656 CG2 ILE A 109 -16.444 -4.085 -1.324 1.00 0.24 C ATOM 1657 CD1 ILE A 109 -17.705 -1.013 -1.674 1.00 0.51 C ATOM 0 H ILE A 109 -14.513 -0.926 -2.720 1.00 0.17 H new ATOM 0 HA ILE A 109 -14.065 -2.722 -0.637 1.00 0.18 H new ATOM 0 HB ILE A 109 -16.132 -2.674 -2.880 1.00 0.21 H new ATOM 0 HG12 ILE A 109 -16.728 -1.959 -0.038 1.00 0.22 H new ATOM 0 HG13 ILE A 109 -15.720 -0.834 -0.927 1.00 0.22 H new ATOM 0 HG21 ILE A 109 -17.529 -4.076 -1.430 1.00 0.24 H new ATOM 0 HG22 ILE A 109 -16.030 -4.907 -1.908 1.00 0.24 H new ATOM 0 HG23 ILE A 109 -16.183 -4.218 -0.274 1.00 0.24 H new ATOM 0 HD11 ILE A 109 -18.071 -0.195 -1.054 1.00 0.51 H new ATOM 0 HD12 ILE A 109 -17.455 -0.634 -2.665 1.00 0.51 H new ATOM 0 HD13 ILE A 109 -18.478 -1.776 -1.762 1.00 0.51 H new ATOM 1669 N HIS A 110 -13.483 -3.953 -3.615 1.00 0.20 N ATOM 1670 CA HIS A 110 -12.882 -5.077 -4.321 1.00 0.23 C ATOM 1671 C HIS A 110 -11.543 -5.449 -3.696 1.00 0.20 C ATOM 1672 O HIS A 110 -11.339 -6.584 -3.270 1.00 0.23 O ATOM 1673 CB HIS A 110 -12.682 -4.741 -5.801 1.00 0.27 C ATOM 1674 CG HIS A 110 -12.149 -5.883 -6.612 1.00 0.32 C ATOM 1675 ND1 HIS A 110 -12.955 -6.835 -7.190 1.00 0.40 N ATOM 1676 CD2 HIS A 110 -10.879 -6.218 -6.947 1.00 0.34 C ATOM 1677 CE1 HIS A 110 -12.208 -7.704 -7.839 1.00 0.44 C ATOM 1678 NE2 HIS A 110 -10.945 -7.352 -7.715 1.00 0.40 N ATOM 0 H HIS A 110 -13.689 -3.147 -4.205 1.00 0.20 H new ATOM 0 HA HIS A 110 -13.561 -5.926 -4.239 1.00 0.23 H new ATOM 0 HB2 HIS A 110 -13.634 -4.420 -6.223 1.00 0.27 H new ATOM 0 HB3 HIS A 110 -11.997 -3.897 -5.883 1.00 0.27 H new ATOM 0 HD1 HIS A 110 -13.973 -6.864 -7.126 1.00 0.40 H new ATOM 0 HD2 HIS A 110 -9.981 -5.690 -6.662 1.00 0.34 H new ATOM 0 HE1 HIS A 110 -12.571 -8.563 -8.383 1.00 0.44 H new ATOM 1687 N PHE A 111 -10.639 -4.483 -3.634 1.00 0.18 N ATOM 1688 CA PHE A 111 -9.305 -4.722 -3.107 1.00 0.17 C ATOM 1689 C PHE A 111 -9.320 -4.789 -1.584 1.00 0.16 C ATOM 1690 O PHE A 111 -8.415 -5.355 -0.974 1.00 0.20 O ATOM 1691 CB PHE A 111 -8.341 -3.654 -3.611 1.00 0.17 C ATOM 1692 CG PHE A 111 -8.112 -3.740 -5.093 1.00 0.21 C ATOM 1693 CD1 PHE A 111 -7.237 -4.680 -5.615 1.00 0.22 C ATOM 1694 CD2 PHE A 111 -8.775 -2.892 -5.966 1.00 0.26 C ATOM 1695 CE1 PHE A 111 -7.024 -4.769 -6.975 1.00 0.27 C ATOM 1696 CE2 PHE A 111 -8.566 -2.977 -7.330 1.00 0.31 C ATOM 1697 CZ PHE A 111 -7.688 -3.916 -7.835 1.00 0.32 C ATOM 0 H PHE A 111 -10.806 -3.525 -3.943 1.00 0.18 H new ATOM 0 HA PHE A 111 -8.957 -5.690 -3.468 1.00 0.17 H new ATOM 0 HB2 PHE A 111 -8.735 -2.668 -3.364 1.00 0.17 H new ATOM 0 HB3 PHE A 111 -7.388 -3.756 -3.093 1.00 0.17 H new ATOM 0 HD1 PHE A 111 -6.716 -5.351 -4.949 1.00 0.22 H new ATOM 0 HD2 PHE A 111 -9.463 -2.156 -5.576 1.00 0.26 H new ATOM 0 HE1 PHE A 111 -6.338 -5.505 -7.367 1.00 0.27 H new ATOM 0 HE2 PHE A 111 -9.089 -2.310 -8.000 1.00 0.31 H new ATOM 0 HZ PHE A 111 -7.521 -3.983 -8.900 1.00 0.32 H new ATOM 1707 N TYR A 112 -10.353 -4.221 -0.972 1.00 0.15 N ATOM 1708 CA TYR A 112 -10.573 -4.405 0.454 1.00 0.17 C ATOM 1709 C TYR A 112 -10.809 -5.878 0.748 1.00 0.20 C ATOM 1710 O TYR A 112 -10.122 -6.473 1.571 1.00 0.22 O ATOM 1711 CB TYR A 112 -11.775 -3.599 0.958 1.00 0.17 C ATOM 1712 CG TYR A 112 -11.525 -2.122 1.174 1.00 0.19 C ATOM 1713 CD1 TYR A 112 -10.285 -1.650 1.587 1.00 0.21 C ATOM 1714 CD2 TYR A 112 -12.546 -1.198 0.986 1.00 0.20 C ATOM 1715 CE1 TYR A 112 -10.072 -0.306 1.801 1.00 0.25 C ATOM 1716 CE2 TYR A 112 -12.341 0.145 1.203 1.00 0.23 C ATOM 1717 CZ TYR A 112 -11.104 0.587 1.609 1.00 0.25 C ATOM 1718 OH TYR A 112 -10.904 1.921 1.844 1.00 0.32 O ATOM 0 H TYR A 112 -11.045 -3.634 -1.438 1.00 0.15 H new ATOM 0 HA TYR A 112 -9.683 -4.048 0.971 1.00 0.17 H new ATOM 0 HB2 TYR A 112 -12.591 -3.711 0.244 1.00 0.17 H new ATOM 0 HB3 TYR A 112 -12.113 -4.034 1.899 1.00 0.17 H new ATOM 0 HD1 TYR A 112 -9.476 -2.348 1.743 1.00 0.21 H new ATOM 0 HD2 TYR A 112 -13.518 -1.541 0.664 1.00 0.20 H new ATOM 0 HE1 TYR A 112 -9.101 0.046 2.118 1.00 0.25 H new ATOM 0 HE2 TYR A 112 -13.147 0.848 1.055 1.00 0.23 H new ATOM 0 HH TYR A 112 -10.088 2.041 2.373 1.00 0.32 H new ATOM 1728 N ASN A 113 -11.777 -6.459 0.050 1.00 0.22 N ATOM 1729 CA ASN A 113 -12.114 -7.870 0.211 1.00 0.28 C ATOM 1730 C ASN A 113 -10.917 -8.748 -0.153 1.00 0.27 C ATOM 1731 O ASN A 113 -10.745 -9.836 0.386 1.00 0.31 O ATOM 1732 CB ASN A 113 -13.314 -8.219 -0.671 1.00 0.34 C ATOM 1733 CG ASN A 113 -13.971 -9.529 -0.286 1.00 1.02 C ATOM 1734 OD1 ASN A 113 -13.580 -10.599 -0.752 1.00 1.77 O ATOM 1735 ND2 ASN A 113 -14.990 -9.451 0.559 1.00 1.23 N ATOM 0 H ASN A 113 -12.348 -5.970 -0.640 1.00 0.22 H new ATOM 0 HA ASN A 113 -12.373 -8.055 1.254 1.00 0.28 H new ATOM 0 HB2 ASN A 113 -14.050 -7.417 -0.607 1.00 0.34 H new ATOM 0 HB3 ASN A 113 -12.990 -8.273 -1.710 1.00 0.34 H new ATOM 0 HD21 ASN A 113 -15.481 -10.298 0.846 1.00 1.23 H new ATOM 0 HD22 ASN A 113 -15.283 -8.544 0.922 1.00 1.23 H new ATOM 1742 N LYS A 114 -10.091 -8.255 -1.070 1.00 0.25 N ATOM 1743 CA LYS A 114 -8.840 -8.917 -1.432 1.00 0.24 C ATOM 1744 C LYS A 114 -7.877 -8.942 -0.245 1.00 0.21 C ATOM 1745 O LYS A 114 -7.081 -9.867 -0.094 1.00 0.23 O ATOM 1746 CB LYS A 114 -8.195 -8.191 -2.596 1.00 0.26 C ATOM 1747 CG LYS A 114 -8.942 -8.329 -3.904 1.00 0.34 C ATOM 1748 CD LYS A 114 -8.138 -9.170 -4.863 1.00 0.37 C ATOM 1749 CE LYS A 114 -8.645 -9.057 -6.279 1.00 0.48 C ATOM 1750 NZ LYS A 114 -7.915 -9.962 -7.208 1.00 1.25 N ATOM 0 H LYS A 114 -10.267 -7.390 -1.581 1.00 0.25 H new ATOM 0 HA LYS A 114 -9.063 -9.944 -1.720 1.00 0.24 H new ATOM 0 HB2 LYS A 114 -8.111 -7.133 -2.348 1.00 0.26 H new ATOM 0 HB3 LYS A 114 -7.181 -8.568 -2.728 1.00 0.26 H new ATOM 0 HG2 LYS A 114 -9.915 -8.788 -3.731 1.00 0.34 H new ATOM 0 HG3 LYS A 114 -9.126 -7.345 -4.335 1.00 0.34 H new ATOM 0 HD2 LYS A 114 -7.093 -8.862 -4.827 1.00 0.37 H new ATOM 0 HD3 LYS A 114 -8.174 -10.213 -4.548 1.00 0.37 H new ATOM 0 HE2 LYS A 114 -9.709 -9.295 -6.303 1.00 0.48 H new ATOM 0 HE3 LYS A 114 -8.541 -8.027 -6.620 1.00 0.48 H new ATOM 0 HZ1 LYS A 114 -8.295 -9.852 -8.170 1.00 1.25 H new ATOM 0 HZ2 LYS A 114 -6.904 -9.719 -7.206 1.00 1.25 H new ATOM 0 HZ3 LYS A 114 -8.035 -10.948 -6.899 1.00 1.25 H new ATOM 1764 N SER A 115 -7.945 -7.915 0.591 1.00 0.20 N ATOM 1765 CA SER A 115 -7.154 -7.876 1.809 1.00 0.21 C ATOM 1766 C SER A 115 -7.698 -8.900 2.795 1.00 0.25 C ATOM 1767 O SER A 115 -6.938 -9.647 3.410 1.00 0.28 O ATOM 1768 CB SER A 115 -7.183 -6.478 2.427 1.00 0.23 C ATOM 1769 OG SER A 115 -6.414 -6.420 3.611 1.00 1.04 O ATOM 0 H SER A 115 -8.540 -7.099 0.446 1.00 0.20 H new ATOM 0 HA SER A 115 -6.119 -8.118 1.569 1.00 0.21 H new ATOM 0 HB2 SER A 115 -6.801 -5.753 1.708 1.00 0.23 H new ATOM 0 HB3 SER A 115 -8.213 -6.197 2.647 1.00 0.23 H new ATOM 0 HG SER A 115 -5.758 -5.696 3.540 1.00 1.04 H new ATOM 1775 N LEU A 116 -9.026 -8.943 2.921 1.00 0.26 N ATOM 1776 CA LEU A 116 -9.690 -9.962 3.729 1.00 0.31 C ATOM 1777 C LEU A 116 -9.320 -11.354 3.214 1.00 0.33 C ATOM 1778 O LEU A 116 -9.259 -12.326 3.974 1.00 0.38 O ATOM 1779 CB LEU A 116 -11.221 -9.792 3.698 1.00 0.34 C ATOM 1780 CG LEU A 116 -11.816 -8.683 4.585 1.00 0.36 C ATOM 1781 CD1 LEU A 116 -11.153 -8.661 5.946 1.00 0.38 C ATOM 1782 CD2 LEU A 116 -11.713 -7.320 3.927 1.00 0.35 C ATOM 0 H LEU A 116 -9.661 -8.283 2.473 1.00 0.26 H new ATOM 0 HA LEU A 116 -9.354 -9.847 4.759 1.00 0.31 H new ATOM 0 HB2 LEU A 116 -11.520 -9.600 2.668 1.00 0.34 H new ATOM 0 HB3 LEU A 116 -11.674 -10.740 3.990 1.00 0.34 H new ATOM 0 HG LEU A 116 -12.874 -8.911 4.716 1.00 0.36 H new ATOM 0 HD11 LEU A 116 -11.592 -7.868 6.552 1.00 0.38 H new ATOM 0 HD12 LEU A 116 -11.304 -9.621 6.440 1.00 0.38 H new ATOM 0 HD13 LEU A 116 -10.085 -8.478 5.828 1.00 0.38 H new ATOM 0 HD21 LEU A 116 -12.144 -6.565 4.585 1.00 0.35 H new ATOM 0 HD22 LEU A 116 -10.665 -7.084 3.741 1.00 0.35 H new ATOM 0 HD23 LEU A 116 -12.256 -7.330 2.982 1.00 0.35 H new ATOM 1794 N ALA A 117 -9.069 -11.422 1.914 1.00 0.31 N ATOM 1795 CA ALA A 117 -8.701 -12.656 1.239 1.00 0.33 C ATOM 1796 C ALA A 117 -7.327 -13.157 1.688 1.00 0.33 C ATOM 1797 O ALA A 117 -7.095 -14.366 1.768 1.00 0.41 O ATOM 1798 CB ALA A 117 -8.725 -12.431 -0.271 1.00 0.32 C ATOM 0 H ALA A 117 -9.116 -10.614 1.294 1.00 0.31 H new ATOM 0 HA ALA A 117 -9.425 -13.426 1.505 1.00 0.33 H new ATOM 0 HB1 ALA A 117 -8.450 -13.354 -0.781 1.00 0.32 H new ATOM 0 HB2 ALA A 117 -9.727 -12.132 -0.578 1.00 0.32 H new ATOM 0 HB3 ALA A 117 -8.016 -11.646 -0.533 1.00 0.32 H new ATOM 1804 N GLU A 118 -6.422 -12.234 1.989 1.00 0.29 N ATOM 1805 CA GLU A 118 -5.060 -12.599 2.368 1.00 0.30 C ATOM 1806 C GLU A 118 -4.874 -12.590 3.883 1.00 0.32 C ATOM 1807 O GLU A 118 -4.380 -13.556 4.460 1.00 0.36 O ATOM 1808 CB GLU A 118 -4.057 -11.651 1.711 1.00 0.27 C ATOM 1809 CG GLU A 118 -4.103 -11.678 0.191 1.00 0.30 C ATOM 1810 CD GLU A 118 -4.144 -13.084 -0.371 1.00 0.41 C ATOM 1811 OE1 GLU A 118 -3.198 -13.861 -0.125 1.00 0.53 O ATOM 1812 OE2 GLU A 118 -5.129 -13.428 -1.053 1.00 0.53 O ATOM 0 H GLU A 118 -6.604 -11.230 1.979 1.00 0.29 H new ATOM 0 HA GLU A 118 -4.881 -13.615 2.016 1.00 0.30 H new ATOM 0 HB2 GLU A 118 -4.251 -10.635 2.055 1.00 0.27 H new ATOM 0 HB3 GLU A 118 -3.052 -11.913 2.041 1.00 0.27 H new ATOM 0 HG2 GLU A 118 -4.981 -11.129 -0.151 1.00 0.30 H new ATOM 0 HG3 GLU A 118 -3.229 -11.159 -0.203 1.00 0.30 H new ATOM 1819 N HIS A 119 -5.289 -11.509 4.523 1.00 0.32 N ATOM 1820 CA HIS A 119 -5.118 -11.352 5.959 1.00 0.36 C ATOM 1821 C HIS A 119 -6.306 -10.588 6.539 1.00 0.37 C ATOM 1822 O HIS A 119 -6.359 -9.358 6.487 1.00 0.36 O ATOM 1823 CB HIS A 119 -3.772 -10.653 6.242 1.00 0.35 C ATOM 1824 CG HIS A 119 -3.554 -10.158 7.646 1.00 0.40 C ATOM 1825 ND1 HIS A 119 -2.665 -9.146 7.957 1.00 0.42 N ATOM 1826 CD2 HIS A 119 -4.062 -10.570 8.823 1.00 0.45 C ATOM 1827 CE1 HIS A 119 -2.636 -8.975 9.264 1.00 0.48 C ATOM 1828 NE2 HIS A 119 -3.474 -9.827 9.815 1.00 0.50 N ATOM 0 H HIS A 119 -5.750 -10.722 4.067 1.00 0.32 H new ATOM 0 HA HIS A 119 -5.091 -12.326 6.447 1.00 0.36 H new ATOM 0 HB2 HIS A 119 -2.969 -11.348 5.997 1.00 0.35 H new ATOM 0 HB3 HIS A 119 -3.679 -9.805 5.563 1.00 0.35 H new ATOM 0 HD2 HIS A 119 -4.800 -11.346 8.961 1.00 0.45 H new ATOM 0 HE1 HIS A 119 -2.027 -8.257 9.793 1.00 0.48 H new ATOM 0 HE2 HIS A 119 -3.656 -9.920 10.814 1.00 0.50 H new ATOM 1837 N ARG A 120 -7.253 -11.343 7.088 1.00 0.41 N ATOM 1838 CA ARG A 120 -8.478 -10.781 7.641 1.00 0.43 C ATOM 1839 C ARG A 120 -8.153 -9.830 8.783 1.00 0.46 C ATOM 1840 O ARG A 120 -7.661 -10.248 9.833 1.00 0.53 O ATOM 1841 CB ARG A 120 -9.401 -11.905 8.124 1.00 0.49 C ATOM 1842 CG ARG A 120 -10.793 -11.441 8.522 1.00 0.55 C ATOM 1843 CD ARG A 120 -11.673 -12.614 8.924 1.00 0.62 C ATOM 1844 NE ARG A 120 -13.050 -12.200 9.187 1.00 1.38 N ATOM 1845 CZ ARG A 120 -14.044 -13.043 9.466 1.00 1.78 C ATOM 1846 NH1 ARG A 120 -13.818 -14.351 9.519 1.00 1.57 N ATOM 1847 NH2 ARG A 120 -15.269 -12.577 9.679 1.00 2.87 N ATOM 0 H ARG A 120 -7.192 -12.359 7.161 1.00 0.41 H new ATOM 0 HA ARG A 120 -8.992 -10.219 6.861 1.00 0.43 H new ATOM 0 HB2 ARG A 120 -9.491 -12.651 7.334 1.00 0.49 H new ATOM 0 HB3 ARG A 120 -8.937 -12.399 8.978 1.00 0.49 H new ATOM 0 HG2 ARG A 120 -10.721 -10.737 9.351 1.00 0.55 H new ATOM 0 HG3 ARG A 120 -11.252 -10.907 7.690 1.00 0.55 H new ATOM 0 HD2 ARG A 120 -11.664 -13.362 8.131 1.00 0.62 H new ATOM 0 HD3 ARG A 120 -11.261 -13.088 9.815 1.00 0.62 H new ATOM 0 HE ARG A 120 -13.264 -11.203 9.155 1.00 1.38 H new ATOM 0 HH11 ARG A 120 -12.881 -14.714 9.346 1.00 1.57 H new ATOM 0 HH12 ARG A 120 -14.582 -14.992 9.733 1.00 1.57 H new ATOM 0 HH21 ARG A 120 -15.449 -11.574 9.629 1.00 2.87 H new ATOM 0 HH22 ARG A 120 -16.030 -13.222 9.893 1.00 2.87 H new ATOM 1861 N THR A 121 -8.400 -8.552 8.556 1.00 0.45 N ATOM 1862 CA THR A 121 -8.105 -7.529 9.538 1.00 0.50 C ATOM 1863 C THR A 121 -9.260 -6.541 9.662 1.00 0.49 C ATOM 1864 O THR A 121 -9.928 -6.210 8.677 1.00 0.47 O ATOM 1865 CB THR A 121 -6.810 -6.784 9.185 1.00 0.53 C ATOM 1866 OG1 THR A 121 -6.681 -6.641 7.763 1.00 0.52 O ATOM 1867 CG2 THR A 121 -5.602 -7.502 9.748 1.00 0.62 C ATOM 0 H THR A 121 -8.808 -8.198 7.691 1.00 0.45 H new ATOM 0 HA THR A 121 -7.968 -8.025 10.499 1.00 0.50 H new ATOM 0 HB THR A 121 -6.861 -5.792 9.634 1.00 0.53 H new ATOM 0 HG1 THR A 121 -6.464 -7.510 7.365 1.00 0.52 H new ATOM 0 HG21 THR A 121 -4.697 -6.954 9.484 1.00 0.62 H new ATOM 0 HG22 THR A 121 -5.687 -7.561 10.833 1.00 0.62 H new ATOM 0 HG23 THR A 121 -5.551 -8.509 9.333 1.00 0.62 H new ATOM 1875 N PRO A 122 -9.500 -6.060 10.895 1.00 0.56 N ATOM 1876 CA PRO A 122 -10.683 -5.284 11.236 1.00 0.56 C ATOM 1877 C PRO A 122 -10.742 -3.931 10.545 1.00 0.51 C ATOM 1878 O PRO A 122 -11.828 -3.414 10.298 1.00 0.50 O ATOM 1879 CB PRO A 122 -10.589 -5.096 12.748 1.00 0.65 C ATOM 1880 CG PRO A 122 -9.514 -5.998 13.216 1.00 0.76 C ATOM 1881 CD PRO A 122 -8.623 -6.245 12.055 1.00 0.69 C ATOM 0 HA PRO A 122 -11.585 -5.802 10.910 1.00 0.56 H new ATOM 0 HB2 PRO A 122 -10.362 -4.059 12.997 1.00 0.65 H new ATOM 0 HB3 PRO A 122 -11.536 -5.339 13.229 1.00 0.65 H new ATOM 0 HG2 PRO A 122 -8.960 -5.545 14.038 1.00 0.76 H new ATOM 0 HG3 PRO A 122 -9.930 -6.934 13.589 1.00 0.76 H new ATOM 0 HD2 PRO A 122 -7.785 -5.548 12.038 1.00 0.69 H new ATOM 0 HD3 PRO A 122 -8.201 -7.250 12.081 1.00 0.69 H new ATOM 1889 N ASP A 123 -9.583 -3.359 10.241 1.00 0.50 N ATOM 1890 CA ASP A 123 -9.524 -2.054 9.589 1.00 0.48 C ATOM 1891 C ASP A 123 -10.013 -2.128 8.163 1.00 0.40 C ATOM 1892 O ASP A 123 -10.722 -1.236 7.703 1.00 0.40 O ATOM 1893 CB ASP A 123 -8.115 -1.474 9.625 1.00 0.55 C ATOM 1894 CG ASP A 123 -7.692 -1.060 11.017 1.00 1.42 C ATOM 1895 OD1 ASP A 123 -7.946 0.104 11.399 1.00 2.06 O ATOM 1896 OD2 ASP A 123 -7.098 -1.896 11.733 1.00 2.20 O ATOM 0 H ASP A 123 -8.673 -3.776 10.435 1.00 0.50 H new ATOM 0 HA ASP A 123 -10.184 -1.391 10.148 1.00 0.48 H new ATOM 0 HB2 ASP A 123 -7.412 -2.213 9.240 1.00 0.55 H new ATOM 0 HB3 ASP A 123 -8.064 -0.610 8.962 1.00 0.55 H new ATOM 1901 N VAL A 124 -9.660 -3.190 7.456 1.00 0.35 N ATOM 1902 CA VAL A 124 -10.109 -3.318 6.087 1.00 0.29 C ATOM 1903 C VAL A 124 -11.558 -3.760 6.061 1.00 0.28 C ATOM 1904 O VAL A 124 -12.307 -3.380 5.178 1.00 0.28 O ATOM 1905 CB VAL A 124 -9.294 -4.313 5.252 1.00 0.28 C ATOM 1906 CG1 VAL A 124 -9.495 -4.029 3.777 1.00 0.32 C ATOM 1907 CG2 VAL A 124 -7.819 -4.288 5.610 1.00 0.31 C ATOM 0 H VAL A 124 -9.079 -3.955 7.799 1.00 0.35 H new ATOM 0 HA VAL A 124 -9.977 -2.332 5.642 1.00 0.29 H new ATOM 0 HB VAL A 124 -9.656 -5.316 5.479 1.00 0.28 H new ATOM 0 HG11 VAL A 124 -8.914 -4.738 3.187 1.00 0.32 H new ATOM 0 HG12 VAL A 124 -10.551 -4.129 3.528 1.00 0.32 H new ATOM 0 HG13 VAL A 124 -9.164 -3.015 3.553 1.00 0.32 H new ATOM 0 HG21 VAL A 124 -7.283 -5.009 4.993 1.00 0.31 H new ATOM 0 HG22 VAL A 124 -7.419 -3.290 5.433 1.00 0.31 H new ATOM 0 HG23 VAL A 124 -7.695 -4.547 6.661 1.00 0.31 H new ATOM 1917 N LEU A 125 -11.939 -4.576 7.032 1.00 0.35 N ATOM 1918 CA LEU A 125 -13.329 -4.981 7.193 1.00 0.38 C ATOM 1919 C LEU A 125 -14.177 -3.734 7.435 1.00 0.38 C ATOM 1920 O LEU A 125 -15.213 -3.526 6.802 1.00 0.38 O ATOM 1921 CB LEU A 125 -13.438 -5.966 8.367 1.00 0.45 C ATOM 1922 CG LEU A 125 -14.766 -6.717 8.510 1.00 0.51 C ATOM 1923 CD1 LEU A 125 -14.563 -7.962 9.360 1.00 0.61 C ATOM 1924 CD2 LEU A 125 -15.831 -5.835 9.143 1.00 0.54 C ATOM 0 H LEU A 125 -11.303 -4.973 7.724 1.00 0.35 H new ATOM 0 HA LEU A 125 -13.692 -5.482 6.295 1.00 0.38 H new ATOM 0 HB2 LEU A 125 -12.639 -6.701 8.270 1.00 0.45 H new ATOM 0 HB3 LEU A 125 -13.256 -5.417 9.291 1.00 0.45 H new ATOM 0 HG LEU A 125 -15.105 -7.001 7.514 1.00 0.51 H new ATOM 0 HD11 LEU A 125 -15.510 -8.493 9.459 1.00 0.61 H new ATOM 0 HD12 LEU A 125 -13.830 -8.613 8.883 1.00 0.61 H new ATOM 0 HD13 LEU A 125 -14.204 -7.674 10.348 1.00 0.61 H new ATOM 0 HD21 LEU A 125 -16.762 -6.395 9.231 1.00 0.54 H new ATOM 0 HD22 LEU A 125 -15.501 -5.520 10.133 1.00 0.54 H new ATOM 0 HD23 LEU A 125 -15.994 -4.957 8.519 1.00 0.54 H new ATOM 1936 N LYS A 126 -13.690 -2.904 8.346 1.00 0.40 N ATOM 1937 CA LYS A 126 -14.291 -1.617 8.659 1.00 0.42 C ATOM 1938 C LYS A 126 -14.379 -0.742 7.414 1.00 0.39 C ATOM 1939 O LYS A 126 -15.423 -0.164 7.116 1.00 0.43 O ATOM 1940 CB LYS A 126 -13.439 -0.946 9.739 1.00 0.48 C ATOM 1941 CG LYS A 126 -13.722 0.521 9.981 1.00 0.58 C ATOM 1942 CD LYS A 126 -12.890 1.024 11.148 1.00 0.72 C ATOM 1943 CE LYS A 126 -13.160 2.482 11.452 1.00 1.37 C ATOM 1944 NZ LYS A 126 -12.318 2.975 12.574 1.00 2.04 N ATOM 0 H LYS A 126 -12.855 -3.109 8.895 1.00 0.40 H new ATOM 0 HA LYS A 126 -15.309 -1.759 9.023 1.00 0.42 H new ATOM 0 HB2 LYS A 126 -13.583 -1.484 10.676 1.00 0.48 H new ATOM 0 HB3 LYS A 126 -12.389 -1.055 9.467 1.00 0.48 H new ATOM 0 HG2 LYS A 126 -13.492 1.097 9.085 1.00 0.58 H new ATOM 0 HG3 LYS A 126 -14.782 0.666 10.190 1.00 0.58 H new ATOM 0 HD2 LYS A 126 -13.106 0.424 12.032 1.00 0.72 H new ATOM 0 HD3 LYS A 126 -11.832 0.891 10.923 1.00 0.72 H new ATOM 0 HE2 LYS A 126 -12.967 3.081 10.562 1.00 1.37 H new ATOM 0 HE3 LYS A 126 -14.213 2.613 11.702 1.00 1.37 H new ATOM 0 HZ1 LYS A 126 -12.531 3.977 12.753 1.00 2.04 H new ATOM 0 HZ2 LYS A 126 -12.520 2.420 13.430 1.00 2.04 H new ATOM 0 HZ3 LYS A 126 -11.313 2.874 12.325 1.00 2.04 H new ATOM 1958 N LYS A 127 -13.273 -0.668 6.689 1.00 0.33 N ATOM 1959 CA LYS A 127 -13.189 0.126 5.473 1.00 0.31 C ATOM 1960 C LYS A 127 -14.098 -0.415 4.382 1.00 0.27 C ATOM 1961 O LYS A 127 -14.751 0.347 3.670 1.00 0.27 O ATOM 1962 CB LYS A 127 -11.754 0.140 4.968 1.00 0.31 C ATOM 1963 CG LYS A 127 -11.083 1.492 5.115 1.00 0.52 C ATOM 1964 CD LYS A 127 -11.066 1.981 6.556 1.00 0.55 C ATOM 1965 CE LYS A 127 -10.715 3.461 6.615 1.00 0.82 C ATOM 1966 NZ LYS A 127 -10.678 3.978 8.007 1.00 1.48 N ATOM 0 H LYS A 127 -12.410 -1.156 6.927 1.00 0.33 H new ATOM 0 HA LYS A 127 -13.515 1.138 5.715 1.00 0.31 H new ATOM 0 HB2 LYS A 127 -11.176 -0.606 5.513 1.00 0.31 H new ATOM 0 HB3 LYS A 127 -11.742 -0.152 3.918 1.00 0.31 H new ATOM 0 HG2 LYS A 127 -10.060 1.428 4.744 1.00 0.52 H new ATOM 0 HG3 LYS A 127 -11.603 2.221 4.493 1.00 0.52 H new ATOM 0 HD2 LYS A 127 -12.041 1.814 7.014 1.00 0.55 H new ATOM 0 HD3 LYS A 127 -10.341 1.406 7.132 1.00 0.55 H new ATOM 0 HE2 LYS A 127 -9.745 3.621 6.145 1.00 0.82 H new ATOM 0 HE3 LYS A 127 -11.446 4.028 6.039 1.00 0.82 H new ATOM 0 HZ1 LYS A 127 -10.435 4.989 7.995 1.00 1.48 H new ATOM 0 HZ2 LYS A 127 -11.611 3.851 8.449 1.00 1.48 H new ATOM 0 HZ3 LYS A 127 -9.962 3.456 8.552 1.00 1.48 H new ATOM 1980 N CYS A 128 -14.131 -1.729 4.260 1.00 0.27 N ATOM 1981 CA CYS A 128 -14.896 -2.383 3.221 1.00 0.26 C ATOM 1982 C CYS A 128 -16.377 -2.097 3.404 1.00 0.29 C ATOM 1983 O CYS A 128 -17.071 -1.717 2.459 1.00 0.32 O ATOM 1984 CB CYS A 128 -14.634 -3.895 3.243 1.00 0.26 C ATOM 1985 SG CYS A 128 -15.404 -4.809 1.888 1.00 0.91 S ATOM 0 H CYS A 128 -13.630 -2.368 4.877 1.00 0.27 H new ATOM 0 HA CYS A 128 -14.584 -1.992 2.253 1.00 0.26 H new ATOM 0 HB2 CYS A 128 -13.558 -4.065 3.214 1.00 0.26 H new ATOM 0 HB3 CYS A 128 -14.995 -4.300 4.189 1.00 0.26 H new ATOM 0 HG CYS A 128 -16.602 -4.350 1.680 1.00 0.91 H new ATOM 1991 N GLN A 129 -16.847 -2.250 4.635 1.00 0.32 N ATOM 1992 CA GLN A 129 -18.233 -1.963 4.955 1.00 0.36 C ATOM 1993 C GLN A 129 -18.502 -0.470 4.837 1.00 0.32 C ATOM 1994 O GLN A 129 -19.605 -0.061 4.475 1.00 0.35 O ATOM 1995 CB GLN A 129 -18.586 -2.451 6.356 1.00 0.44 C ATOM 1996 CG GLN A 129 -18.435 -3.951 6.516 1.00 0.50 C ATOM 1997 CD GLN A 129 -18.803 -4.438 7.904 1.00 0.60 C ATOM 1998 OE1 GLN A 129 -19.245 -5.573 8.076 1.00 1.38 O ATOM 1999 NE2 GLN A 129 -18.635 -3.586 8.904 1.00 1.10 N ATOM 0 H GLN A 129 -16.287 -2.571 5.425 1.00 0.32 H new ATOM 0 HA GLN A 129 -18.862 -2.496 4.242 1.00 0.36 H new ATOM 0 HB2 GLN A 129 -17.947 -1.948 7.082 1.00 0.44 H new ATOM 0 HB3 GLN A 129 -19.613 -2.168 6.585 1.00 0.44 H new ATOM 0 HG2 GLN A 129 -19.064 -4.454 5.782 1.00 0.50 H new ATOM 0 HG3 GLN A 129 -17.404 -4.232 6.300 1.00 0.50 H new ATOM 0 HE21 GLN A 129 -18.266 -2.653 8.722 1.00 1.10 H new ATOM 0 HE22 GLN A 129 -18.875 -3.863 9.856 1.00 1.10 H new ATOM 2008 N GLN A 130 -17.481 0.334 5.133 1.00 0.31 N ATOM 2009 CA GLN A 130 -17.589 1.785 5.033 1.00 0.30 C ATOM 2010 C GLN A 130 -17.845 2.197 3.594 1.00 0.26 C ATOM 2011 O GLN A 130 -18.830 2.858 3.300 1.00 0.27 O ATOM 2012 CB GLN A 130 -16.317 2.470 5.540 1.00 0.34 C ATOM 2013 CG GLN A 130 -16.454 3.977 5.658 1.00 0.41 C ATOM 2014 CD GLN A 130 -17.513 4.384 6.660 1.00 0.94 C ATOM 2015 OE1 GLN A 130 -18.684 4.530 6.316 1.00 1.72 O ATOM 2016 NE2 GLN A 130 -17.109 4.574 7.902 1.00 1.65 N ATOM 0 H GLN A 130 -16.568 0.002 5.445 1.00 0.31 H new ATOM 0 HA GLN A 130 -18.426 2.099 5.656 1.00 0.30 H new ATOM 0 HB2 GLN A 130 -16.055 2.058 6.515 1.00 0.34 H new ATOM 0 HB3 GLN A 130 -15.494 2.239 4.864 1.00 0.34 H new ATOM 0 HG2 GLN A 130 -15.496 4.404 5.953 1.00 0.41 H new ATOM 0 HG3 GLN A 130 -16.702 4.394 4.682 1.00 0.41 H new ATOM 0 HE21 GLN A 130 -16.127 4.442 8.145 1.00 1.65 H new ATOM 0 HE22 GLN A 130 -17.779 4.853 8.619 1.00 1.65 H new ATOM 2025 N ALA A 131 -16.960 1.789 2.696 1.00 0.23 N ATOM 2026 CA ALA A 131 -17.091 2.125 1.283 1.00 0.21 C ATOM 2027 C ALA A 131 -18.415 1.622 0.726 1.00 0.23 C ATOM 2028 O ALA A 131 -19.030 2.264 -0.124 1.00 0.29 O ATOM 2029 CB ALA A 131 -15.935 1.538 0.499 1.00 0.20 C ATOM 0 H ALA A 131 -16.141 1.223 2.920 1.00 0.23 H new ATOM 0 HA ALA A 131 -17.071 3.210 1.185 1.00 0.21 H new ATOM 0 HB1 ALA A 131 -16.042 1.795 -0.555 1.00 0.20 H new ATOM 0 HB2 ALA A 131 -14.996 1.943 0.877 1.00 0.20 H new ATOM 0 HB3 ALA A 131 -15.934 0.454 0.610 1.00 0.20 H new ATOM 2035 N GLU A 132 -18.845 0.477 1.229 1.00 0.26 N ATOM 2036 CA GLU A 132 -20.086 -0.142 0.801 1.00 0.35 C ATOM 2037 C GLU A 132 -21.285 0.718 1.214 1.00 0.35 C ATOM 2038 O GLU A 132 -22.135 1.052 0.385 1.00 0.43 O ATOM 2039 CB GLU A 132 -20.155 -1.546 1.395 1.00 0.48 C ATOM 2040 CG GLU A 132 -21.118 -2.501 0.705 1.00 1.02 C ATOM 2041 CD GLU A 132 -22.573 -2.224 1.019 1.00 1.24 C ATOM 2042 OE1 GLU A 132 -22.909 -2.090 2.213 1.00 1.41 O ATOM 2043 OE2 GLU A 132 -23.382 -2.119 0.074 1.00 2.04 O ATOM 0 H GLU A 132 -18.343 -0.048 1.945 1.00 0.26 H new ATOM 0 HA GLU A 132 -20.117 -0.219 -0.286 1.00 0.35 H new ATOM 0 HB2 GLU A 132 -19.157 -1.982 1.369 1.00 0.48 H new ATOM 0 HB3 GLU A 132 -20.440 -1.465 2.444 1.00 0.48 H new ATOM 0 HG2 GLU A 132 -20.969 -2.439 -0.373 1.00 1.02 H new ATOM 0 HG3 GLU A 132 -20.879 -3.522 1.001 1.00 1.02 H new ATOM 2050 N LYS A 133 -21.333 1.111 2.485 1.00 0.32 N ATOM 2051 CA LYS A 133 -22.424 1.951 2.983 1.00 0.36 C ATOM 2052 C LYS A 133 -22.322 3.367 2.416 1.00 0.37 C ATOM 2053 O LYS A 133 -23.333 4.035 2.201 1.00 0.46 O ATOM 2054 CB LYS A 133 -22.435 1.976 4.520 1.00 0.37 C ATOM 2055 CG LYS A 133 -21.146 2.484 5.148 1.00 0.36 C ATOM 2056 CD LYS A 133 -21.104 2.231 6.649 1.00 0.66 C ATOM 2057 CE LYS A 133 -22.139 3.059 7.398 1.00 1.04 C ATOM 2058 NZ LYS A 133 -21.848 4.515 7.325 1.00 1.90 N ATOM 0 H LYS A 133 -20.635 0.864 3.186 1.00 0.32 H new ATOM 0 HA LYS A 133 -23.366 1.519 2.645 1.00 0.36 H new ATOM 0 HB2 LYS A 133 -23.261 2.604 4.855 1.00 0.37 H new ATOM 0 HB3 LYS A 133 -22.631 0.968 4.887 1.00 0.37 H new ATOM 0 HG2 LYS A 133 -20.295 1.995 4.674 1.00 0.36 H new ATOM 0 HG3 LYS A 133 -21.047 3.553 4.958 1.00 0.36 H new ATOM 0 HD2 LYS A 133 -21.278 1.173 6.843 1.00 0.66 H new ATOM 0 HD3 LYS A 133 -20.109 2.465 7.028 1.00 0.66 H new ATOM 0 HE2 LYS A 133 -23.128 2.866 6.982 1.00 1.04 H new ATOM 0 HE3 LYS A 133 -22.166 2.747 8.442 1.00 1.04 H new ATOM 0 HZ1 LYS A 133 -21.963 4.940 8.267 1.00 1.90 H new ATOM 0 HZ2 LYS A 133 -20.871 4.658 6.998 1.00 1.90 H new ATOM 0 HZ3 LYS A 133 -22.506 4.968 6.659 1.00 1.90 H new ATOM 2072 N ILE A 134 -21.097 3.816 2.174 1.00 0.32 N ATOM 2073 CA ILE A 134 -20.861 5.101 1.526 1.00 0.34 C ATOM 2074 C ILE A 134 -21.434 5.095 0.116 1.00 0.39 C ATOM 2075 O ILE A 134 -22.104 6.040 -0.296 1.00 0.48 O ATOM 2076 CB ILE A 134 -19.356 5.447 1.462 1.00 0.31 C ATOM 2077 CG1 ILE A 134 -18.829 5.831 2.836 1.00 0.32 C ATOM 2078 CG2 ILE A 134 -19.097 6.571 0.488 1.00 0.34 C ATOM 2079 CD1 ILE A 134 -17.354 6.171 2.851 1.00 0.33 C ATOM 0 H ILE A 134 -20.247 3.307 2.418 1.00 0.32 H new ATOM 0 HA ILE A 134 -21.361 5.860 2.127 1.00 0.34 H new ATOM 0 HB ILE A 134 -18.831 4.556 1.117 1.00 0.31 H new ATOM 0 HG12 ILE A 134 -19.394 6.687 3.205 1.00 0.32 H new ATOM 0 HG13 ILE A 134 -19.010 5.008 3.527 1.00 0.32 H new ATOM 0 HG21 ILE A 134 -18.030 6.793 0.464 1.00 0.34 H new ATOM 0 HG22 ILE A 134 -19.428 6.274 -0.507 1.00 0.34 H new ATOM 0 HG23 ILE A 134 -19.645 7.459 0.803 1.00 0.34 H new ATOM 0 HD11 ILE A 134 -17.052 6.435 3.865 1.00 0.33 H new ATOM 0 HD12 ILE A 134 -16.779 5.309 2.513 1.00 0.33 H new ATOM 0 HD13 ILE A 134 -17.168 7.015 2.186 1.00 0.33 H new ATOM 2091 N LEU A 135 -21.180 4.016 -0.613 1.00 0.38 N ATOM 2092 CA LEU A 135 -21.674 3.886 -1.973 1.00 0.48 C ATOM 2093 C LEU A 135 -23.195 3.921 -1.999 1.00 0.58 C ATOM 2094 O LEU A 135 -23.791 4.496 -2.902 1.00 0.71 O ATOM 2095 CB LEU A 135 -21.170 2.599 -2.615 1.00 0.51 C ATOM 2096 CG LEU A 135 -20.299 2.805 -3.850 1.00 0.59 C ATOM 2097 CD1 LEU A 135 -19.852 1.469 -4.413 1.00 1.33 C ATOM 2098 CD2 LEU A 135 -21.034 3.618 -4.906 1.00 1.37 C ATOM 0 H LEU A 135 -20.635 3.220 -0.283 1.00 0.38 H new ATOM 0 HA LEU A 135 -21.294 4.731 -2.548 1.00 0.48 H new ATOM 0 HB2 LEU A 135 -20.600 2.038 -1.874 1.00 0.51 H new ATOM 0 HB3 LEU A 135 -22.028 1.985 -2.890 1.00 0.51 H new ATOM 0 HG LEU A 135 -19.413 3.367 -3.552 1.00 0.59 H new ATOM 0 HD11 LEU A 135 -19.232 1.635 -5.294 1.00 1.33 H new ATOM 0 HD12 LEU A 135 -19.277 0.931 -3.660 1.00 1.33 H new ATOM 0 HD13 LEU A 135 -20.726 0.880 -4.691 1.00 1.33 H new ATOM 0 HD21 LEU A 135 -20.391 3.750 -5.776 1.00 1.37 H new ATOM 0 HD22 LEU A 135 -21.942 3.093 -5.203 1.00 1.37 H new ATOM 0 HD23 LEU A 135 -21.296 4.594 -4.497 1.00 1.37 H new ATOM 2110 N LYS A 136 -23.813 3.322 -0.989 1.00 0.58 N ATOM 2111 CA LYS A 136 -25.264 3.338 -0.863 1.00 0.72 C ATOM 2112 C LYS A 136 -25.766 4.771 -0.692 1.00 0.77 C ATOM 2113 O LYS A 136 -26.833 5.134 -1.185 1.00 0.91 O ATOM 2114 CB LYS A 136 -25.697 2.467 0.315 1.00 0.79 C ATOM 2115 CG LYS A 136 -27.185 2.535 0.622 1.00 1.26 C ATOM 2116 CD LYS A 136 -27.563 1.589 1.748 1.00 1.73 C ATOM 2117 CE LYS A 136 -29.010 1.776 2.171 1.00 2.54 C ATOM 2118 NZ LYS A 136 -29.262 3.143 2.701 1.00 3.36 N ATOM 0 H LYS A 136 -23.331 2.818 -0.244 1.00 0.58 H new ATOM 0 HA LYS A 136 -25.703 2.930 -1.773 1.00 0.72 H new ATOM 0 HB2 LYS A 136 -25.427 1.432 0.107 1.00 0.79 H new ATOM 0 HB3 LYS A 136 -25.140 2.770 1.201 1.00 0.79 H new ATOM 0 HG2 LYS A 136 -27.455 3.555 0.896 1.00 1.26 H new ATOM 0 HG3 LYS A 136 -27.754 2.284 -0.273 1.00 1.26 H new ATOM 0 HD2 LYS A 136 -27.407 0.559 1.427 1.00 1.73 H new ATOM 0 HD3 LYS A 136 -26.908 1.759 2.603 1.00 1.73 H new ATOM 0 HE2 LYS A 136 -29.664 1.591 1.319 1.00 2.54 H new ATOM 0 HE3 LYS A 136 -29.263 1.039 2.933 1.00 2.54 H new ATOM 0 HZ1 LYS A 136 -30.145 3.145 3.250 1.00 3.36 H new ATOM 0 HZ2 LYS A 136 -28.472 3.428 3.315 1.00 3.36 H new ATOM 0 HZ3 LYS A 136 -29.345 3.812 1.909 1.00 3.36 H new ATOM 2132 N GLU A 137 -24.971 5.585 -0.008 1.00 0.70 N ATOM 2133 CA GLU A 137 -25.284 6.995 0.167 1.00 0.82 C ATOM 2134 C GLU A 137 -25.071 7.766 -1.134 1.00 0.87 C ATOM 2135 O GLU A 137 -25.698 8.799 -1.372 1.00 1.03 O ATOM 2136 CB GLU A 137 -24.428 7.587 1.270 1.00 0.82 C ATOM 2137 CG GLU A 137 -24.782 7.039 2.633 1.00 1.02 C ATOM 2138 CD GLU A 137 -26.218 7.314 3.018 1.00 1.61 C ATOM 2139 OE1 GLU A 137 -26.525 8.459 3.410 1.00 2.01 O ATOM 2140 OE2 GLU A 137 -27.050 6.387 2.928 1.00 2.28 O ATOM 0 H GLU A 137 -24.101 5.290 0.436 1.00 0.70 H new ATOM 0 HA GLU A 137 -26.334 7.079 0.447 1.00 0.82 H new ATOM 0 HB2 GLU A 137 -23.378 7.382 1.061 1.00 0.82 H new ATOM 0 HB3 GLU A 137 -24.546 8.671 1.276 1.00 0.82 H new ATOM 0 HG2 GLU A 137 -24.607 5.963 2.644 1.00 1.02 H new ATOM 0 HG3 GLU A 137 -24.120 7.477 3.379 1.00 1.02 H new ATOM 2147 N GLN A 138 -24.182 7.248 -1.973 1.00 0.80 N ATOM 2148 CA GLN A 138 -23.852 7.880 -3.245 1.00 0.89 C ATOM 2149 C GLN A 138 -24.913 7.592 -4.301 1.00 1.04 C ATOM 2150 O GLN A 138 -25.050 8.332 -5.275 1.00 1.19 O ATOM 2151 CB GLN A 138 -22.494 7.388 -3.734 1.00 0.87 C ATOM 2152 CG GLN A 138 -21.353 7.793 -2.824 1.00 0.80 C ATOM 2153 CD GLN A 138 -21.049 9.274 -2.892 1.00 1.08 C ATOM 2154 OE1 GLN A 138 -20.240 9.717 -3.706 1.00 1.75 O ATOM 2155 NE2 GLN A 138 -21.686 10.051 -2.031 1.00 1.60 N ATOM 0 H GLN A 138 -23.672 6.383 -1.793 1.00 0.80 H new ATOM 0 HA GLN A 138 -23.816 8.957 -3.084 1.00 0.89 H new ATOM 0 HB2 GLN A 138 -22.516 6.301 -3.817 1.00 0.87 H new ATOM 0 HB3 GLN A 138 -22.310 7.781 -4.734 1.00 0.87 H new ATOM 0 HG2 GLN A 138 -21.600 7.524 -1.797 1.00 0.80 H new ATOM 0 HG3 GLN A 138 -20.460 7.230 -3.095 1.00 0.80 H new ATOM 0 HE21 GLN A 138 -22.350 9.645 -1.372 1.00 1.60 H new ATOM 0 HE22 GLN A 138 -21.513 11.056 -2.027 1.00 1.60 H new ATOM 2164 N GLU A 139 -25.649 6.510 -4.108 1.00 1.14 N ATOM 2165 CA GLU A 139 -26.668 6.093 -5.058 1.00 1.35 C ATOM 2166 C GLU A 139 -27.905 6.973 -4.943 1.00 1.86 C ATOM 2167 O GLU A 139 -28.688 6.788 -3.990 1.00 2.30 O ATOM 2168 CB GLU A 139 -27.031 4.625 -4.829 1.00 1.47 C ATOM 2169 CG GLU A 139 -25.855 3.678 -5.001 1.00 1.46 C ATOM 2170 CD GLU A 139 -25.391 3.564 -6.439 1.00 2.03 C ATOM 2171 OE1 GLU A 139 -24.775 4.520 -6.957 1.00 2.99 O ATOM 2172 OE2 GLU A 139 -25.645 2.512 -7.064 1.00 1.94 O ATOM 2173 OXT GLU A 139 -28.093 7.850 -5.809 1.00 2.51 O ATOM 0 H GLU A 139 -25.559 5.900 -3.295 1.00 1.14 H new ATOM 0 HA GLU A 139 -26.267 6.202 -6.066 1.00 1.35 H new ATOM 0 HB2 GLU A 139 -27.435 4.511 -3.823 1.00 1.47 H new ATOM 0 HB3 GLU A 139 -27.821 4.341 -5.524 1.00 1.47 H new ATOM 0 HG2 GLU A 139 -25.025 4.022 -4.384 1.00 1.46 H new ATOM 0 HG3 GLU A 139 -26.135 2.690 -4.636 1.00 1.46 H new TER 2180 GLU A 139