USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 767 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 39 HIS : no HD1:sc= -3.88! C(o=-9.5!,f=-10!) USER MOD Set 1.2: A 58 THR OG1 : rot -150:sc= -1.72! USER MOD Set 1.3: A 68 THR OG1 : rot 100:sc= -3.88! USER MOD Set 2.1: A 32 SER OG : rot -40:sc= 0.329 USER MOD Set 2.2: A 43 GLN : amide:sc= 0 X(o=0.33,f=0.32) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 36 SER OG : rot -130:sc= -0.667 USER MOD Single : A 37 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.9!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0392 USER MOD Single : A 55 SER OG : rot -80:sc= -4.63! USER MOD Single : A 57 SER OG : rot -132:sc= -0.146! USER MOD Single : A 61 LYS NZ :NH3+ 171:sc=-0.00146 (180deg=-0.0758) USER MOD Single : A 67 SER OG : rot 115:sc= 1 USER MOD Single : A 69 ASN :FLIP amide:sc= -2.41 F(o=-3.6,f=-2.4) USER MOD Single : A 70 ASN : amide:sc= -6.25! C(o=-6.3!,f=-11!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0688 (180deg=-0.387) USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.0116 (180deg=-0.188) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN :FLIP amide:sc= -3.72! C(o=-5.8!,f=-3.7!) USER MOD Single : A 100 TYR OH : rot 180:sc= -1.9! USER MOD Single : A 102 TYR OH : rot -157:sc= -2.84! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.486 F(o=-1.5,f=-0.49) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -10.356 0.828 2.816 1.00 3.80 N ATOM 2 CA GLY A 24 -10.057 -0.428 2.162 1.00 3.88 C ATOM 3 C GLY A 24 -11.221 -0.961 1.352 1.00 4.84 C ATOM 4 O GLY A 24 -11.180 -2.095 0.874 1.00 5.34 O ATOM 0 HA2 GLY A 24 -9.196 -0.295 1.507 1.00 3.88 H new ATOM 0 HA3 GLY A 24 -9.776 -1.166 2.914 1.00 3.88 H new ATOM 8 N THR A 25 -12.267 -0.154 1.203 1.00 5.40 N ATOM 9 CA THR A 25 -13.438 -0.577 0.452 1.00 6.53 C ATOM 10 C THR A 25 -14.052 0.567 -0.342 1.00 6.79 C ATOM 11 O THR A 25 -14.381 0.412 -1.518 1.00 7.78 O ATOM 12 CB THR A 25 -14.469 -1.200 1.402 1.00 7.48 C ATOM 13 OG1 THR A 25 -14.022 -2.461 1.863 1.00 8.47 O ATOM 14 CG2 THR A 25 -15.838 -1.399 0.786 1.00 7.80 C ATOM 0 H THR A 25 -12.326 0.788 1.590 1.00 5.40 H new ATOM 0 HA THR A 25 -13.120 -1.327 -0.272 1.00 6.53 H new ATOM 0 HB THR A 25 -14.567 -0.483 2.217 1.00 7.48 H new ATOM 0 HG1 THR A 25 -14.690 -2.844 2.469 1.00 8.47 H new ATOM 0 HG21 THR A 25 -16.507 -1.844 1.523 1.00 7.80 H new ATOM 0 HG22 THR A 25 -16.237 -0.436 0.468 1.00 7.80 H new ATOM 0 HG23 THR A 25 -15.756 -2.061 -0.076 1.00 7.80 H new ATOM 22 N THR A 26 -14.220 1.699 0.305 1.00 6.02 N ATOM 23 CA THR A 26 -14.821 2.859 -0.358 1.00 6.31 C ATOM 24 C THR A 26 -14.372 4.209 0.219 1.00 5.39 C ATOM 25 O THR A 26 -14.894 5.250 -0.181 1.00 5.53 O ATOM 26 CB THR A 26 -16.346 2.757 -0.292 1.00 7.29 C ATOM 27 OG1 THR A 26 -16.793 1.556 -0.894 1.00 8.15 O ATOM 28 CG2 THR A 26 -17.055 3.905 -0.979 1.00 7.65 C ATOM 0 H THR A 26 -13.956 1.851 1.278 1.00 6.02 H new ATOM 0 HA THR A 26 -14.473 2.834 -1.390 1.00 6.31 H new ATOM 0 HB THR A 26 -16.591 2.784 0.770 1.00 7.29 H new ATOM 0 HG1 THR A 26 -17.770 1.507 -0.841 1.00 8.15 H new ATOM 0 HG21 THR A 26 -18.133 3.770 -0.894 1.00 7.65 H new ATOM 0 HG22 THR A 26 -16.769 4.845 -0.506 1.00 7.65 H new ATOM 0 HG23 THR A 26 -16.774 3.928 -2.032 1.00 7.65 H new ATOM 36 N GLU A 27 -13.408 4.214 1.132 1.00 4.70 N ATOM 37 CA GLU A 27 -12.929 5.471 1.701 1.00 4.20 C ATOM 38 C GLU A 27 -11.675 5.927 0.967 1.00 3.58 C ATOM 39 O GLU A 27 -11.690 6.921 0.241 1.00 4.09 O ATOM 40 CB GLU A 27 -12.647 5.334 3.195 1.00 4.98 C ATOM 41 CG GLU A 27 -12.294 6.652 3.861 1.00 5.26 C ATOM 42 CD GLU A 27 -13.355 7.715 3.651 1.00 5.33 C ATOM 43 OE1 GLU A 27 -13.278 8.440 2.637 1.00 5.00 O ATOM 44 OE2 GLU A 27 -14.263 7.824 4.503 1.00 5.98 O ATOM 0 H GLU A 27 -12.948 3.377 1.491 1.00 4.70 H new ATOM 0 HA GLU A 27 -13.711 6.220 1.578 1.00 4.20 H new ATOM 0 HB2 GLU A 27 -13.523 4.910 3.686 1.00 4.98 H new ATOM 0 HB3 GLU A 27 -11.828 4.630 3.340 1.00 4.98 H new ATOM 0 HG2 GLU A 27 -12.155 6.489 4.930 1.00 5.26 H new ATOM 0 HG3 GLU A 27 -11.343 7.011 3.467 1.00 5.26 H new ATOM 51 N ARG A 28 -10.601 5.167 1.140 1.00 2.88 N ATOM 52 CA ARG A 28 -9.338 5.455 0.475 1.00 2.50 C ATOM 53 C ARG A 28 -8.526 4.170 0.312 1.00 2.12 C ATOM 54 O ARG A 28 -7.408 4.067 0.816 1.00 2.47 O ATOM 55 CB ARG A 28 -8.545 6.494 1.270 1.00 3.36 C ATOM 56 CG ARG A 28 -7.259 6.934 0.592 1.00 4.15 C ATOM 57 CD ARG A 28 -6.879 8.350 0.993 1.00 5.14 C ATOM 58 NE ARG A 28 -6.981 8.555 2.435 1.00 5.84 N ATOM 59 CZ ARG A 28 -7.125 9.749 3.002 1.00 6.72 C ATOM 60 NH1 ARG A 28 -7.168 10.842 2.251 1.00 7.03 N ATOM 61 NH2 ARG A 28 -7.224 9.850 4.319 1.00 7.48 N ATOM 0 H ARG A 28 -10.581 4.342 1.739 1.00 2.88 H new ATOM 0 HA ARG A 28 -9.545 5.863 -0.514 1.00 2.50 H new ATOM 0 HB2 ARG A 28 -9.174 7.368 1.437 1.00 3.36 H new ATOM 0 HB3 ARG A 28 -8.305 6.082 2.250 1.00 3.36 H new ATOM 0 HG2 ARG A 28 -6.453 6.250 0.858 1.00 4.15 H new ATOM 0 HG3 ARG A 28 -7.379 6.880 -0.490 1.00 4.15 H new ATOM 0 HD2 ARG A 28 -5.859 8.558 0.668 1.00 5.14 H new ATOM 0 HD3 ARG A 28 -7.528 9.059 0.479 1.00 5.14 H new ATOM 0 HE ARG A 28 -6.939 7.736 3.042 1.00 5.84 H new ATOM 0 HH11 ARG A 28 -7.091 10.767 1.237 1.00 7.03 H new ATOM 0 HH12 ARG A 28 -7.279 11.757 2.688 1.00 7.03 H new ATOM 0 HH21 ARG A 28 -7.190 9.012 4.899 1.00 7.48 H new ATOM 0 HH22 ARG A 28 -7.334 10.766 4.753 1.00 7.48 H new ATOM 75 N PRO A 29 -9.094 3.161 -0.382 1.00 1.75 N ATOM 76 CA PRO A 29 -8.441 1.860 -0.600 1.00 1.73 C ATOM 77 C PRO A 29 -7.440 1.903 -1.761 1.00 1.12 C ATOM 78 O PRO A 29 -7.837 2.010 -2.921 1.00 0.97 O ATOM 79 CB PRO A 29 -9.644 0.946 -0.954 1.00 2.28 C ATOM 80 CG PRO A 29 -10.862 1.773 -0.728 1.00 2.24 C ATOM 81 CD PRO A 29 -10.425 3.172 -0.997 1.00 1.93 C ATOM 0 HA PRO A 29 -7.859 1.528 0.260 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -9.587 0.608 -1.989 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -9.655 0.054 -0.328 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -11.672 1.476 -1.395 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -11.232 1.663 0.291 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -10.387 3.396 -2.063 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -11.087 3.908 -0.540 1.00 1.93 H new ATOM 89 N ARG A 30 -6.139 1.824 -1.451 1.00 1.14 N ATOM 90 CA ARG A 30 -5.110 1.862 -2.495 1.00 0.83 C ATOM 91 C ARG A 30 -3.695 1.777 -1.912 1.00 0.77 C ATOM 92 O ARG A 30 -3.504 1.926 -0.719 1.00 1.19 O ATOM 93 CB ARG A 30 -5.254 3.129 -3.339 1.00 1.44 C ATOM 94 CG ARG A 30 -5.349 4.401 -2.513 1.00 2.12 C ATOM 95 CD ARG A 30 -5.589 5.618 -3.391 1.00 2.57 C ATOM 96 NE ARG A 30 -6.811 5.494 -4.178 1.00 3.02 N ATOM 97 CZ ARG A 30 -7.094 6.260 -5.225 1.00 3.70 C ATOM 98 NH1 ARG A 30 -6.244 7.201 -5.611 1.00 4.01 N ATOM 99 NH2 ARG A 30 -8.229 6.085 -5.889 1.00 4.42 N ATOM 0 H ARG A 30 -5.779 1.735 -0.501 1.00 1.14 H new ATOM 0 HA ARG A 30 -5.259 0.987 -3.128 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -4.401 3.206 -4.013 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -6.145 3.042 -3.961 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -6.159 4.307 -1.790 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -4.429 4.537 -1.945 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -5.650 6.509 -2.766 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -4.740 5.755 -4.060 1.00 2.57 H new ATOM 0 HE ARG A 30 -7.486 4.778 -3.909 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -5.370 7.338 -5.103 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -6.464 7.788 -6.416 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -8.885 5.361 -5.595 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -8.445 6.674 -6.693 1.00 4.42 H new ATOM 113 N LEU A 31 -2.691 1.591 -2.765 1.00 0.67 N ATOM 114 CA LEU A 31 -1.304 1.561 -2.295 1.00 0.66 C ATOM 115 C LEU A 31 -1.015 2.904 -1.640 1.00 0.79 C ATOM 116 O LEU A 31 -1.398 3.949 -2.162 1.00 1.21 O ATOM 117 CB LEU A 31 -0.358 1.305 -3.497 1.00 0.92 C ATOM 118 CG LEU A 31 1.190 1.477 -3.330 1.00 0.91 C ATOM 119 CD1 LEU A 31 1.588 2.768 -2.634 1.00 1.49 C ATOM 120 CD2 LEU A 31 1.819 0.298 -2.612 1.00 1.39 C ATOM 0 H LEU A 31 -2.805 1.460 -3.770 1.00 0.67 H new ATOM 0 HA LEU A 31 -1.144 0.760 -1.573 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -0.535 0.285 -3.837 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.672 1.968 -4.303 1.00 0.92 H new ATOM 0 HG LEU A 31 1.575 1.523 -4.349 1.00 0.91 H new ATOM 0 HD11 LEU A 31 2.674 2.818 -2.554 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.227 3.619 -3.212 1.00 1.49 H new ATOM 0 HD13 LEU A 31 1.149 2.794 -1.637 1.00 1.49 H new ATOM 0 HD21 LEU A 31 2.893 0.460 -2.518 1.00 1.39 H new ATOM 0 HD22 LEU A 31 1.379 0.199 -1.620 1.00 1.39 H new ATOM 0 HD23 LEU A 31 1.638 -0.614 -3.181 1.00 1.39 H new ATOM 132 N SER A 32 -0.339 2.873 -0.500 1.00 0.65 N ATOM 133 CA SER A 32 0.000 4.092 0.219 1.00 0.88 C ATOM 134 C SER A 32 1.491 4.400 0.110 1.00 0.67 C ATOM 135 O SER A 32 2.334 3.520 0.278 1.00 1.05 O ATOM 136 CB SER A 32 -0.396 3.964 1.686 1.00 1.42 C ATOM 137 OG SER A 32 0.668 3.450 2.467 1.00 1.57 O ATOM 0 H SER A 32 -0.014 2.016 -0.053 1.00 0.65 H new ATOM 0 HA SER A 32 -0.553 4.915 -0.234 1.00 0.88 H new ATOM 0 HB2 SER A 32 -0.693 4.940 2.070 1.00 1.42 H new ATOM 0 HB3 SER A 32 -1.263 3.309 1.774 1.00 1.42 H new ATOM 0 HG SER A 32 1.127 2.742 1.969 1.00 1.57 H new ATOM 143 N VAL A 33 1.803 5.661 -0.161 1.00 0.65 N ATOM 144 CA VAL A 33 3.187 6.105 -0.285 1.00 0.78 C ATOM 145 C VAL A 33 3.576 6.983 0.898 1.00 0.74 C ATOM 146 O VAL A 33 3.100 8.112 1.020 1.00 1.28 O ATOM 147 CB VAL A 33 3.407 6.894 -1.586 1.00 1.59 C ATOM 148 CG1 VAL A 33 2.548 8.148 -1.606 1.00 2.53 C ATOM 149 CG2 VAL A 33 4.877 7.245 -1.757 1.00 2.05 C ATOM 0 H VAL A 33 1.112 6.399 -0.300 1.00 0.65 H new ATOM 0 HA VAL A 33 3.813 5.213 -0.302 1.00 0.78 H new ATOM 0 HB VAL A 33 3.107 6.264 -2.423 1.00 1.59 H new ATOM 0 HG11 VAL A 33 2.719 8.691 -2.535 1.00 2.53 H new ATOM 0 HG12 VAL A 33 1.496 7.870 -1.537 1.00 2.53 H new ATOM 0 HG13 VAL A 33 2.812 8.783 -0.760 1.00 2.53 H new ATOM 0 HG21 VAL A 33 5.012 7.803 -2.683 1.00 2.05 H new ATOM 0 HG22 VAL A 33 5.206 7.854 -0.915 1.00 2.05 H new ATOM 0 HG23 VAL A 33 5.468 6.330 -1.795 1.00 2.05 H new ATOM 159 N PHE A 34 4.432 6.465 1.775 1.00 0.53 N ATOM 160 CA PHE A 34 4.857 7.223 2.944 1.00 0.78 C ATOM 161 C PHE A 34 6.363 7.132 3.157 1.00 0.52 C ATOM 162 O PHE A 34 7.020 6.214 2.668 1.00 0.90 O ATOM 163 CB PHE A 34 4.125 6.721 4.189 1.00 1.43 C ATOM 164 CG PHE A 34 2.711 7.214 4.295 1.00 1.74 C ATOM 165 CD1 PHE A 34 1.688 6.582 3.608 1.00 1.73 C ATOM 166 CD2 PHE A 34 2.405 8.312 5.084 1.00 2.51 C ATOM 167 CE1 PHE A 34 0.386 7.035 3.704 1.00 2.58 C ATOM 168 CE2 PHE A 34 1.105 8.770 5.184 1.00 3.37 C ATOM 169 CZ PHE A 34 0.094 8.130 4.493 1.00 3.43 C ATOM 0 H PHE A 34 4.840 5.533 1.699 1.00 0.53 H new ATOM 0 HA PHE A 34 4.606 8.269 2.770 1.00 0.78 H new ATOM 0 HB2 PHE A 34 4.121 5.631 4.183 1.00 1.43 H new ATOM 0 HB3 PHE A 34 4.677 7.033 5.075 1.00 1.43 H new ATOM 0 HD1 PHE A 34 1.910 5.725 2.990 1.00 1.73 H new ATOM 0 HD2 PHE A 34 3.192 8.815 5.627 1.00 2.51 H new ATOM 0 HE1 PHE A 34 -0.402 6.533 3.163 1.00 2.58 H new ATOM 0 HE2 PHE A 34 0.880 9.627 5.801 1.00 3.37 H new ATOM 0 HZ PHE A 34 -0.923 8.486 4.570 1.00 3.43 H new ATOM 179 N ARG A 35 6.900 8.089 3.905 1.00 0.77 N ATOM 180 CA ARG A 35 8.325 8.120 4.206 1.00 0.81 C ATOM 181 C ARG A 35 8.535 8.083 5.715 1.00 0.85 C ATOM 182 O ARG A 35 8.228 9.047 6.414 1.00 1.32 O ATOM 183 CB ARG A 35 8.974 9.378 3.621 1.00 1.41 C ATOM 184 CG ARG A 35 8.854 9.493 2.109 1.00 2.08 C ATOM 185 CD ARG A 35 7.469 9.958 1.690 1.00 2.72 C ATOM 186 NE ARG A 35 7.064 11.171 2.394 1.00 3.21 N ATOM 187 CZ ARG A 35 5.820 11.638 2.402 1.00 3.85 C ATOM 188 NH1 ARG A 35 4.864 10.993 1.747 1.00 4.13 N ATOM 189 NH2 ARG A 35 5.530 12.749 3.064 1.00 4.60 N ATOM 0 H ARG A 35 6.367 8.856 4.315 1.00 0.77 H new ATOM 0 HA ARG A 35 8.794 7.246 3.754 1.00 0.81 H new ATOM 0 HB2 ARG A 35 8.518 10.256 4.079 1.00 1.41 H new ATOM 0 HB3 ARG A 35 10.029 9.389 3.893 1.00 1.41 H new ATOM 0 HG2 ARG A 35 9.601 10.194 1.737 1.00 2.08 H new ATOM 0 HG3 ARG A 35 9.067 8.527 1.652 1.00 2.08 H new ATOM 0 HD2 ARG A 35 7.458 10.141 0.616 1.00 2.72 H new ATOM 0 HD3 ARG A 35 6.746 9.166 1.886 1.00 2.72 H new ATOM 0 HE ARG A 35 7.776 11.689 2.909 1.00 3.21 H new ATOM 0 HH11 ARG A 35 5.083 10.138 1.237 1.00 4.13 H new ATOM 0 HH12 ARG A 35 3.909 11.352 1.754 1.00 4.13 H new ATOM 0 HH21 ARG A 35 6.263 13.248 3.569 1.00 4.60 H new ATOM 0 HH22 ARG A 35 4.574 13.105 3.068 1.00 4.60 H new ATOM 203 N SER A 36 9.050 6.965 6.217 1.00 0.55 N ATOM 204 CA SER A 36 9.282 6.819 7.643 1.00 0.74 C ATOM 205 C SER A 36 10.548 7.552 8.075 1.00 0.79 C ATOM 206 O SER A 36 11.543 7.583 7.354 1.00 1.07 O ATOM 207 CB SER A 36 9.327 5.337 8.027 1.00 0.84 C ATOM 208 OG SER A 36 8.032 4.882 8.358 1.00 1.50 O ATOM 0 H SER A 36 9.312 6.153 5.658 1.00 0.55 H new ATOM 0 HA SER A 36 8.450 7.279 8.176 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.726 4.751 7.199 1.00 0.84 H new ATOM 0 HB3 SER A 36 9.999 5.193 8.873 1.00 0.84 H new ATOM 0 HG SER A 36 8.060 4.412 9.217 1.00 1.50 H new ATOM 214 N ASN A 37 10.480 8.168 9.252 1.00 1.08 N ATOM 215 CA ASN A 37 11.589 8.944 9.809 1.00 1.18 C ATOM 216 C ASN A 37 12.955 8.323 9.513 1.00 1.17 C ATOM 217 O ASN A 37 13.360 7.364 10.165 1.00 1.97 O ATOM 218 CB ASN A 37 11.405 9.093 11.320 1.00 1.30 C ATOM 219 CG ASN A 37 12.299 10.164 11.913 1.00 1.89 C ATOM 220 OD1 ASN A 37 13.415 9.887 12.350 1.00 2.57 O ATOM 221 ND2 ASN A 37 11.808 11.397 11.931 1.00 2.42 N ATOM 0 H ASN A 37 9.653 8.144 9.849 1.00 1.08 H new ATOM 0 HA ASN A 37 11.571 9.921 9.327 1.00 1.18 H new ATOM 0 HB2 ASN A 37 10.364 9.335 11.533 1.00 1.30 H new ATOM 0 HB3 ASN A 37 11.616 8.139 11.804 1.00 1.30 H new ATOM 0 HD21 ASN A 37 12.362 12.161 12.318 1.00 2.42 H new ATOM 0 HD22 ASN A 37 10.877 11.581 11.557 1.00 2.42 H new ATOM 228 N LYS A 38 13.664 8.907 8.542 1.00 0.96 N ATOM 229 CA LYS A 38 15.009 8.460 8.148 1.00 0.85 C ATOM 230 C LYS A 38 14.979 7.309 7.142 1.00 0.75 C ATOM 231 O LYS A 38 15.982 7.037 6.482 1.00 1.11 O ATOM 232 CB LYS A 38 15.843 8.059 9.371 1.00 0.86 C ATOM 233 CG LYS A 38 15.848 9.109 10.469 1.00 1.05 C ATOM 234 CD LYS A 38 16.753 8.710 11.624 1.00 1.75 C ATOM 235 CE LYS A 38 16.246 7.463 12.327 1.00 2.20 C ATOM 236 NZ LYS A 38 17.153 7.038 13.427 1.00 2.60 N ATOM 0 H LYS A 38 13.323 9.704 8.005 1.00 0.96 H new ATOM 0 HA LYS A 38 15.478 9.314 7.659 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.455 7.124 9.775 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.869 7.869 9.055 1.00 0.86 H new ATOM 0 HG2 LYS A 38 16.180 10.063 10.059 1.00 1.05 H new ATOM 0 HG3 LYS A 38 14.832 9.256 10.836 1.00 1.05 H new ATOM 0 HD2 LYS A 38 17.762 8.534 11.252 1.00 1.75 H new ATOM 0 HD3 LYS A 38 16.816 9.531 12.338 1.00 1.75 H new ATOM 0 HE2 LYS A 38 15.251 7.653 12.730 1.00 2.20 H new ATOM 0 HE3 LYS A 38 16.148 6.653 11.604 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 16.771 6.184 13.881 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 18.096 6.832 13.040 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 17.227 7.801 14.130 1.00 2.60 H new ATOM 250 N HIS A 39 13.843 6.635 7.017 1.00 0.56 N ATOM 251 CA HIS A 39 13.730 5.523 6.076 1.00 0.60 C ATOM 252 C HIS A 39 12.387 5.544 5.343 1.00 0.52 C ATOM 253 O HIS A 39 11.329 5.600 5.970 1.00 0.67 O ATOM 254 CB HIS A 39 13.911 4.167 6.773 1.00 0.80 C ATOM 255 CG HIS A 39 14.116 4.226 8.255 1.00 1.26 C ATOM 256 ND1 HIS A 39 15.128 3.545 8.890 1.00 1.26 N ATOM 257 CD2 HIS A 39 13.434 4.878 9.225 1.00 1.99 C ATOM 258 CE1 HIS A 39 15.063 3.773 10.190 1.00 1.96 C ATOM 259 NE2 HIS A 39 14.043 4.579 10.419 1.00 2.40 N ATOM 0 H HIS A 39 12.995 6.834 7.547 1.00 0.56 H new ATOM 0 HA HIS A 39 14.532 5.650 5.349 1.00 0.60 H new ATOM 0 HB2 HIS A 39 13.033 3.554 6.569 1.00 0.80 H new ATOM 0 HB3 HIS A 39 14.766 3.659 6.326 1.00 0.80 H new ATOM 0 HD2 HIS A 39 12.572 5.514 9.086 1.00 1.99 H new ATOM 0 HE1 HIS A 39 15.730 3.369 10.937 1.00 1.96 H new ATOM 0 HE2 HIS A 39 13.754 4.924 11.334 1.00 2.40 H new ATOM 268 N ILE A 40 12.435 5.480 4.011 1.00 0.50 N ATOM 269 CA ILE A 40 11.220 5.471 3.201 1.00 0.51 C ATOM 270 C ILE A 40 10.414 4.218 3.497 1.00 0.46 C ATOM 271 O ILE A 40 10.976 3.136 3.666 1.00 0.68 O ATOM 272 CB ILE A 40 11.517 5.509 1.688 1.00 0.60 C ATOM 273 CG1 ILE A 40 12.586 6.551 1.368 1.00 1.21 C ATOM 274 CG2 ILE A 40 10.241 5.804 0.915 1.00 1.29 C ATOM 275 CD1 ILE A 40 12.251 7.938 1.873 1.00 2.23 C ATOM 0 H ILE A 40 13.301 5.434 3.473 1.00 0.50 H new ATOM 0 HA ILE A 40 10.661 6.369 3.463 1.00 0.51 H new ATOM 0 HB ILE A 40 11.897 4.533 1.387 1.00 0.60 H new ATOM 0 HG12 ILE A 40 13.533 6.234 1.804 1.00 1.21 H new ATOM 0 HG13 ILE A 40 12.730 6.592 0.288 1.00 1.21 H new ATOM 0 HG21 ILE A 40 10.460 5.829 -0.153 1.00 1.29 H new ATOM 0 HG22 ILE A 40 9.505 5.025 1.116 1.00 1.29 H new ATOM 0 HG23 ILE A 40 9.842 6.769 1.226 1.00 1.29 H new ATOM 0 HD11 ILE A 40 13.055 8.625 1.610 1.00 2.23 H new ATOM 0 HD12 ILE A 40 11.321 8.276 1.417 1.00 2.23 H new ATOM 0 HD13 ILE A 40 12.136 7.913 2.957 1.00 2.23 H new ATOM 287 N TYR A 41 9.103 4.371 3.588 1.00 0.36 N ATOM 288 CA TYR A 41 8.238 3.262 3.894 1.00 0.31 C ATOM 289 C TYR A 41 7.119 3.140 2.891 1.00 0.36 C ATOM 290 O TYR A 41 6.195 3.958 2.856 1.00 0.46 O ATOM 291 CB TYR A 41 7.661 3.478 5.279 1.00 0.31 C ATOM 292 CG TYR A 41 6.961 2.288 5.904 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.308 1.299 5.158 1.00 0.30 C ATOM 294 CD2 TYR A 41 6.976 2.152 7.279 1.00 0.48 C ATOM 295 CE1 TYR A 41 5.710 0.231 5.779 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.380 1.092 7.899 1.00 0.57 C ATOM 297 CZ TYR A 41 5.745 0.126 7.152 1.00 0.53 C ATOM 298 OH TYR A 41 5.146 -0.944 7.775 1.00 0.63 O ATOM 0 H TYR A 41 8.621 5.259 3.452 1.00 0.36 H new ATOM 0 HA TYR A 41 8.817 2.339 3.854 1.00 0.31 H new ATOM 0 HB2 TYR A 41 8.469 3.788 5.942 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.953 4.305 5.230 1.00 0.31 H new ATOM 0 HD1 TYR A 41 6.275 1.378 4.081 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.471 2.902 7.877 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.212 -0.526 5.192 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.407 1.011 8.976 1.00 0.57 H new ATOM 0 HH TYR A 41 5.264 -0.866 8.745 1.00 0.63 H new ATOM 308 N ALA A 42 7.171 2.081 2.112 1.00 0.47 N ATOM 309 CA ALA A 42 6.125 1.827 1.161 1.00 0.60 C ATOM 310 C ALA A 42 5.096 0.933 1.828 1.00 0.48 C ATOM 311 O ALA A 42 5.438 -0.113 2.373 1.00 0.57 O ATOM 312 CB ALA A 42 6.685 1.195 -0.097 1.00 0.92 C ATOM 0 H ALA A 42 7.922 1.391 2.122 1.00 0.47 H new ATOM 0 HA ALA A 42 5.652 2.761 0.856 1.00 0.60 H new ATOM 0 HB1 ALA A 42 5.875 1.011 -0.803 1.00 0.92 H new ATOM 0 HB2 ALA A 42 7.415 1.867 -0.548 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.168 0.251 0.154 1.00 0.92 H new ATOM 318 N GLN A 43 3.846 1.360 1.825 1.00 0.45 N ATOM 319 CA GLN A 43 2.799 0.593 2.465 1.00 0.39 C ATOM 320 C GLN A 43 1.608 0.457 1.536 1.00 0.40 C ATOM 321 O GLN A 43 0.980 1.444 1.176 1.00 0.51 O ATOM 322 CB GLN A 43 2.395 1.263 3.780 1.00 0.39 C ATOM 323 CG GLN A 43 1.072 0.776 4.357 1.00 0.99 C ATOM 324 CD GLN A 43 0.672 1.526 5.612 1.00 1.33 C ATOM 325 OE1 GLN A 43 -0.015 2.547 5.547 1.00 2.05 O ATOM 326 NE2 GLN A 43 1.099 1.023 6.763 1.00 1.85 N ATOM 0 H GLN A 43 3.535 2.228 1.389 1.00 0.45 H new ATOM 0 HA GLN A 43 3.170 -0.407 2.688 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.182 1.095 4.516 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.333 2.339 3.621 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.289 0.888 3.606 1.00 0.99 H new ATOM 0 HG3 GLN A 43 1.148 -0.288 4.582 1.00 0.99 H new ATOM 0 HE21 GLN A 43 1.666 0.175 6.770 1.00 1.85 H new ATOM 0 HE22 GLN A 43 0.860 1.484 7.641 1.00 1.85 H new ATOM 335 N ILE A 44 1.311 -0.764 1.139 1.00 0.43 N ATOM 336 CA ILE A 44 0.200 -1.011 0.235 1.00 0.45 C ATOM 337 C ILE A 44 -1.049 -1.376 1.005 1.00 0.48 C ATOM 338 O ILE A 44 -1.075 -2.382 1.709 1.00 0.60 O ATOM 339 CB ILE A 44 0.506 -2.155 -0.779 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.015 -2.405 -0.886 1.00 0.65 C ATOM 341 CG2 ILE A 44 -0.089 -1.851 -2.161 1.00 0.51 C ATOM 342 CD1 ILE A 44 2.383 -3.426 -1.933 1.00 0.86 C ATOM 0 H ILE A 44 1.820 -1.600 1.426 1.00 0.43 H new ATOM 0 HA ILE A 44 0.045 -0.085 -0.318 1.00 0.45 H new ATOM 0 HB ILE A 44 0.034 -3.062 -0.402 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.516 -1.464 -1.115 1.00 0.65 H new ATOM 0 HG13 ILE A 44 2.390 -2.738 0.082 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.142 -2.668 -2.844 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -1.170 -1.744 -2.076 1.00 0.51 H new ATOM 0 HG23 ILE A 44 0.338 -0.925 -2.545 1.00 0.51 H new ATOM 0 HD11 ILE A 44 3.465 -3.552 -1.953 1.00 0.86 H new ATOM 0 HD12 ILE A 44 1.911 -4.379 -1.694 1.00 0.86 H new ATOM 0 HD13 ILE A 44 2.039 -3.086 -2.910 1.00 0.86 H new ATOM 354 N ILE A 45 -2.099 -0.581 0.825 1.00 0.52 N ATOM 355 CA ILE A 45 -3.371 -0.868 1.455 1.00 0.56 C ATOM 356 C ILE A 45 -4.351 -1.204 0.345 1.00 0.54 C ATOM 357 O ILE A 45 -4.508 -0.447 -0.619 1.00 0.63 O ATOM 358 CB ILE A 45 -3.890 0.263 2.394 1.00 0.69 C ATOM 359 CG1 ILE A 45 -5.392 0.111 2.670 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.583 1.652 1.855 1.00 0.82 C ATOM 361 CD1 ILE A 45 -5.781 -1.269 3.153 1.00 1.19 C ATOM 0 H ILE A 45 -2.089 0.261 0.250 1.00 0.52 H new ATOM 0 HA ILE A 45 -3.251 -1.713 2.133 1.00 0.56 H new ATOM 0 HB ILE A 45 -3.352 0.156 3.336 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.692 0.846 3.416 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.945 0.338 1.759 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -3.965 2.403 2.546 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.505 1.771 1.750 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -4.059 1.778 0.882 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -6.856 -1.304 3.328 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -5.512 -2.008 2.398 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -5.255 -1.491 4.082 1.00 1.19 H new ATOM 373 N ASP A 46 -4.944 -2.381 0.456 1.00 0.53 N ATOM 374 CA ASP A 46 -5.831 -2.889 -0.580 1.00 0.59 C ATOM 375 C ASP A 46 -6.819 -1.865 -1.071 1.00 0.59 C ATOM 376 O ASP A 46 -7.226 -0.953 -0.352 1.00 0.62 O ATOM 377 CB ASP A 46 -6.596 -4.092 -0.075 1.00 0.68 C ATOM 378 CG ASP A 46 -7.537 -3.747 1.063 1.00 0.66 C ATOM 379 OD1 ASP A 46 -8.650 -3.253 0.783 1.00 0.74 O ATOM 380 OD2 ASP A 46 -7.161 -3.970 2.233 1.00 0.89 O ATOM 0 H ASP A 46 -4.828 -3.005 1.255 1.00 0.53 H new ATOM 0 HA ASP A 46 -5.188 -3.161 -1.417 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.167 -4.526 -0.896 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -5.891 -4.853 0.259 1.00 0.68 H new ATOM 385 N ASP A 47 -7.185 -2.037 -2.335 1.00 0.86 N ATOM 386 CA ASP A 47 -8.111 -1.147 -2.983 1.00 0.96 C ATOM 387 C ASP A 47 -9.517 -1.770 -3.064 1.00 1.01 C ATOM 388 O ASP A 47 -10.171 -1.949 -2.037 1.00 0.96 O ATOM 389 CB ASP A 47 -7.578 -0.745 -4.363 1.00 1.17 C ATOM 390 CG ASP A 47 -8.451 0.293 -5.041 1.00 1.66 C ATOM 391 OD1 ASP A 47 -9.593 0.502 -4.580 1.00 2.45 O ATOM 392 OD2 ASP A 47 -7.993 0.899 -6.033 1.00 1.96 O ATOM 0 H ASP A 47 -6.845 -2.795 -2.927 1.00 0.86 H new ATOM 0 HA ASP A 47 -8.204 -0.241 -2.385 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -6.567 -0.352 -4.258 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -7.513 -1.630 -4.996 1.00 1.17 H new ATOM 397 N THR A 48 -9.986 -2.092 -4.274 1.00 1.33 N ATOM 398 CA THR A 48 -11.312 -2.677 -4.452 1.00 1.52 C ATOM 399 C THR A 48 -11.261 -4.197 -4.620 1.00 1.57 C ATOM 400 O THR A 48 -12.303 -4.851 -4.661 1.00 1.64 O ATOM 401 CB THR A 48 -11.996 -2.050 -5.666 1.00 1.97 C ATOM 402 OG1 THR A 48 -11.342 -2.433 -6.863 1.00 2.28 O ATOM 403 CG2 THR A 48 -12.024 -0.538 -5.624 1.00 2.12 C ATOM 0 H THR A 48 -9.466 -1.956 -5.141 1.00 1.33 H new ATOM 0 HA THR A 48 -11.883 -2.466 -3.548 1.00 1.52 H new ATOM 0 HB THR A 48 -13.022 -2.417 -5.640 1.00 1.97 H new ATOM 0 HG1 THR A 48 -11.795 -2.023 -7.629 1.00 2.28 H new ATOM 0 HG21 THR A 48 -12.523 -0.158 -6.515 1.00 2.12 H new ATOM 0 HG22 THR A 48 -12.565 -0.209 -4.737 1.00 2.12 H new ATOM 0 HG23 THR A 48 -11.004 -0.156 -5.589 1.00 2.12 H new ATOM 411 N LYS A 49 -10.060 -4.757 -4.748 1.00 1.64 N ATOM 412 CA LYS A 49 -9.918 -6.198 -4.945 1.00 1.82 C ATOM 413 C LYS A 49 -9.255 -6.873 -3.750 1.00 2.06 C ATOM 414 O LYS A 49 -8.672 -7.949 -3.886 1.00 2.71 O ATOM 415 CB LYS A 49 -9.107 -6.475 -6.213 1.00 2.07 C ATOM 416 CG LYS A 49 -9.817 -6.069 -7.493 1.00 2.73 C ATOM 417 CD LYS A 49 -11.090 -6.874 -7.701 1.00 3.33 C ATOM 418 CE LYS A 49 -10.808 -8.368 -7.719 1.00 3.64 C ATOM 419 NZ LYS A 49 -12.030 -9.161 -8.022 1.00 4.26 N ATOM 0 H LYS A 49 -9.180 -4.242 -4.719 1.00 1.64 H new ATOM 0 HA LYS A 49 -10.919 -6.616 -5.049 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -8.158 -5.943 -6.150 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -8.874 -7.539 -6.259 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -10.059 -5.007 -7.456 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -9.150 -6.214 -8.343 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -11.800 -6.646 -6.906 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -11.558 -6.580 -8.640 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -10.042 -8.584 -8.464 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -10.408 -8.673 -6.752 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -11.795 -10.174 -8.025 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -12.753 -8.975 -7.298 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -12.398 -8.889 -8.956 1.00 4.26 H new ATOM 433 N SER A 50 -9.345 -6.244 -2.584 1.00 1.82 N ATOM 434 CA SER A 50 -8.743 -6.801 -1.378 1.00 2.14 C ATOM 435 C SER A 50 -7.237 -6.948 -1.557 1.00 1.89 C ATOM 436 O SER A 50 -6.752 -7.143 -2.671 1.00 2.60 O ATOM 437 CB SER A 50 -9.366 -8.157 -1.046 1.00 2.65 C ATOM 438 OG SER A 50 -8.784 -8.717 0.119 1.00 3.31 O ATOM 0 H SER A 50 -9.825 -5.354 -2.448 1.00 1.82 H new ATOM 0 HA SER A 50 -8.934 -6.117 -0.551 1.00 2.14 H new ATOM 0 HB2 SER A 50 -10.440 -8.041 -0.899 1.00 2.65 H new ATOM 0 HB3 SER A 50 -9.231 -8.838 -1.886 1.00 2.65 H new ATOM 0 HG SER A 50 -9.202 -9.583 0.310 1.00 3.31 H new ATOM 444 N ALA A 51 -6.497 -6.845 -0.461 1.00 1.33 N ATOM 445 CA ALA A 51 -5.045 -6.957 -0.519 1.00 1.15 C ATOM 446 C ALA A 51 -4.410 -6.766 0.845 1.00 1.13 C ATOM 447 O ALA A 51 -5.093 -6.707 1.868 1.00 1.56 O ATOM 448 CB ALA A 51 -4.472 -5.940 -1.496 1.00 1.20 C ATOM 0 H ALA A 51 -6.874 -6.685 0.473 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.812 -7.965 -0.863 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -3.387 -6.037 -1.527 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.881 -6.120 -2.490 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -4.737 -4.934 -1.171 1.00 1.20 H new ATOM 454 N THR A 52 -3.090 -6.664 0.839 1.00 1.05 N ATOM 455 CA THR A 52 -2.328 -6.470 2.056 1.00 1.07 C ATOM 456 C THR A 52 -2.400 -5.022 2.500 1.00 0.91 C ATOM 457 O THR A 52 -2.650 -4.131 1.692 1.00 1.28 O ATOM 458 CB THR A 52 -0.872 -6.892 1.854 1.00 1.64 C ATOM 459 OG1 THR A 52 -0.142 -6.765 3.061 1.00 2.30 O ATOM 460 CG2 THR A 52 -0.155 -6.079 0.798 1.00 2.34 C ATOM 0 H THR A 52 -2.522 -6.713 -0.007 1.00 1.05 H new ATOM 0 HA THR A 52 -2.763 -7.096 2.836 1.00 1.07 H new ATOM 0 HB THR A 52 -0.915 -7.930 1.525 1.00 1.64 H new ATOM 0 HG1 THR A 52 0.786 -7.041 2.912 1.00 2.30 H new ATOM 0 HG21 THR A 52 0.873 -6.429 0.705 1.00 2.34 H new ATOM 0 HG22 THR A 52 -0.666 -6.193 -0.158 1.00 2.34 H new ATOM 0 HG23 THR A 52 -0.155 -5.028 1.086 1.00 2.34 H new ATOM 468 N ILE A 53 -2.201 -4.802 3.791 1.00 1.13 N ATOM 469 CA ILE A 53 -2.248 -3.461 4.358 1.00 1.60 C ATOM 470 C ILE A 53 -0.845 -3.021 4.753 1.00 1.49 C ATOM 471 O ILE A 53 -0.655 -2.290 5.725 1.00 2.03 O ATOM 472 CB ILE A 53 -3.174 -3.401 5.589 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.348 -4.368 5.416 1.00 2.64 C ATOM 474 CG2 ILE A 53 -3.675 -1.982 5.809 1.00 3.14 C ATOM 475 CD1 ILE A 53 -5.364 -4.302 6.535 1.00 2.95 C ATOM 0 H ILE A 53 -2.004 -5.538 4.469 1.00 1.13 H new ATOM 0 HA ILE A 53 -2.649 -2.789 3.599 1.00 1.60 H new ATOM 0 HB ILE A 53 -2.605 -3.702 6.469 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -4.847 -4.153 4.471 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -3.962 -5.385 5.348 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -4.327 -1.958 6.682 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -2.826 -1.318 5.972 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -4.231 -1.652 4.931 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -6.165 -5.015 6.342 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -4.880 -4.547 7.481 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -5.780 -3.296 6.590 1.00 2.95 H new ATOM 487 N VAL A 54 0.132 -3.493 3.985 1.00 0.90 N ATOM 488 CA VAL A 54 1.539 -3.181 4.232 1.00 0.93 C ATOM 489 C VAL A 54 2.392 -3.467 2.997 1.00 0.65 C ATOM 490 O VAL A 54 1.871 -3.840 1.947 1.00 0.59 O ATOM 491 CB VAL A 54 2.087 -4.004 5.414 1.00 1.31 C ATOM 492 CG1 VAL A 54 1.490 -3.521 6.727 1.00 1.86 C ATOM 493 CG2 VAL A 54 1.800 -5.484 5.204 1.00 2.03 C ATOM 0 H VAL A 54 -0.025 -4.098 3.179 1.00 0.90 H new ATOM 0 HA VAL A 54 1.594 -2.119 4.471 1.00 0.93 H new ATOM 0 HB VAL A 54 3.167 -3.865 5.462 1.00 1.31 H new ATOM 0 HG11 VAL A 54 1.890 -4.115 7.549 1.00 1.86 H new ATOM 0 HG12 VAL A 54 1.746 -2.472 6.879 1.00 1.86 H new ATOM 0 HG13 VAL A 54 0.406 -3.629 6.695 1.00 1.86 H new ATOM 0 HG21 VAL A 54 2.192 -6.054 6.046 1.00 2.03 H new ATOM 0 HG22 VAL A 54 0.724 -5.639 5.131 1.00 2.03 H new ATOM 0 HG23 VAL A 54 2.278 -5.820 4.284 1.00 2.03 H new ATOM 503 N SER A 55 3.709 -3.301 3.132 1.00 0.71 N ATOM 504 CA SER A 55 4.622 -3.561 2.023 1.00 0.61 C ATOM 505 C SER A 55 6.029 -3.864 2.513 1.00 0.71 C ATOM 506 O SER A 55 6.416 -5.027 2.618 1.00 0.96 O ATOM 507 CB SER A 55 4.619 -2.405 1.020 1.00 0.64 C ATOM 508 OG SER A 55 4.558 -2.894 -0.309 1.00 1.38 O ATOM 0 H SER A 55 4.162 -2.990 3.991 1.00 0.71 H new ATOM 0 HA SER A 55 4.261 -4.450 1.506 1.00 0.61 H new ATOM 0 HB2 SER A 55 3.767 -1.753 1.212 1.00 0.64 H new ATOM 0 HB3 SER A 55 5.518 -1.802 1.150 1.00 0.64 H new ATOM 0 HG SER A 55 5.451 -3.181 -0.593 1.00 1.38 H new ATOM 514 N ALA A 56 6.784 -2.828 2.815 1.00 0.63 N ATOM 515 CA ALA A 56 8.152 -3.005 3.295 1.00 0.77 C ATOM 516 C ALA A 56 8.866 -1.694 3.604 1.00 0.58 C ATOM 517 O ALA A 56 8.893 -0.755 2.792 1.00 0.59 O ATOM 518 CB ALA A 56 8.973 -3.775 2.283 1.00 1.17 C ATOM 0 H ALA A 56 6.482 -1.857 2.739 1.00 0.63 H new ATOM 0 HA ALA A 56 8.065 -3.560 4.229 1.00 0.77 H new ATOM 0 HB1 ALA A 56 9.990 -3.898 2.657 1.00 1.17 H new ATOM 0 HB2 ALA A 56 8.525 -4.755 2.121 1.00 1.17 H new ATOM 0 HB3 ALA A 56 8.997 -3.227 1.341 1.00 1.17 H new ATOM 524 N SER A 57 9.467 -1.665 4.786 1.00 0.52 N ATOM 525 CA SER A 57 10.242 -0.528 5.247 1.00 0.47 C ATOM 526 C SER A 57 11.071 -0.928 6.454 1.00 0.59 C ATOM 527 O SER A 57 11.144 -2.100 6.801 1.00 0.87 O ATOM 528 CB SER A 57 9.346 0.622 5.614 1.00 0.51 C ATOM 529 OG SER A 57 8.890 0.482 6.949 1.00 1.46 O ATOM 0 H SER A 57 9.428 -2.435 5.453 1.00 0.52 H new ATOM 0 HA SER A 57 10.898 -0.211 4.436 1.00 0.47 H new ATOM 0 HB2 SER A 57 9.886 1.562 5.503 1.00 0.51 H new ATOM 0 HB3 SER A 57 8.495 0.661 4.934 1.00 0.51 H new ATOM 0 HG SER A 57 7.920 0.619 6.979 1.00 1.46 H new ATOM 535 N THR A 58 11.638 0.062 7.128 1.00 0.75 N ATOM 536 CA THR A 58 12.417 -0.183 8.336 1.00 0.94 C ATOM 537 C THR A 58 11.679 -1.126 9.280 1.00 1.00 C ATOM 538 O THR A 58 12.292 -1.954 9.955 1.00 1.41 O ATOM 539 CB THR A 58 12.701 1.141 9.044 1.00 1.24 C ATOM 540 OG1 THR A 58 13.606 0.958 10.123 1.00 1.39 O ATOM 541 CG2 THR A 58 11.457 1.802 9.596 1.00 1.99 C ATOM 0 H THR A 58 11.574 1.044 6.860 1.00 0.75 H new ATOM 0 HA THR A 58 13.358 -0.653 8.049 1.00 0.94 H new ATOM 0 HB THR A 58 13.130 1.787 8.279 1.00 1.24 H new ATOM 0 HG1 THR A 58 13.423 1.623 10.819 1.00 1.39 H new ATOM 0 HG21 THR A 58 11.729 2.737 10.086 1.00 1.99 H new ATOM 0 HG22 THR A 58 10.762 2.007 8.782 1.00 1.99 H new ATOM 0 HG23 THR A 58 10.983 1.138 10.319 1.00 1.99 H new ATOM 549 N LEU A 59 10.359 -0.999 9.312 1.00 1.17 N ATOM 550 CA LEU A 59 9.527 -1.841 10.161 1.00 1.34 C ATOM 551 C LEU A 59 9.674 -3.312 9.777 1.00 1.38 C ATOM 552 O LEU A 59 9.446 -4.203 10.595 1.00 1.80 O ATOM 553 CB LEU A 59 8.065 -1.408 10.051 1.00 1.71 C ATOM 554 CG LEU A 59 7.689 -0.189 10.892 1.00 1.41 C ATOM 555 CD1 LEU A 59 7.894 -0.480 12.370 1.00 1.74 C ATOM 556 CD2 LEU A 59 8.505 1.022 10.466 1.00 1.87 C ATOM 0 H LEU A 59 9.840 -0.318 8.757 1.00 1.17 H new ATOM 0 HA LEU A 59 9.856 -1.725 11.194 1.00 1.34 H new ATOM 0 HB2 LEU A 59 7.843 -1.192 9.006 1.00 1.71 H new ATOM 0 HB3 LEU A 59 7.431 -2.244 10.346 1.00 1.71 H new ATOM 0 HG LEU A 59 6.634 0.033 10.729 1.00 1.41 H new ATOM 0 HD11 LEU A 59 7.622 0.398 12.955 1.00 1.74 H new ATOM 0 HD12 LEU A 59 7.267 -1.321 12.666 1.00 1.74 H new ATOM 0 HD13 LEU A 59 8.940 -0.726 12.551 1.00 1.74 H new ATOM 0 HD21 LEU A 59 8.225 1.882 11.075 1.00 1.87 H new ATOM 0 HD22 LEU A 59 9.566 0.812 10.601 1.00 1.87 H new ATOM 0 HD23 LEU A 59 8.309 1.242 9.416 1.00 1.87 H new ATOM 568 N ASP A 60 10.061 -3.555 8.528 1.00 1.26 N ATOM 569 CA ASP A 60 10.243 -4.913 8.032 1.00 1.54 C ATOM 570 C ASP A 60 11.185 -5.694 8.941 1.00 1.37 C ATOM 571 O ASP A 60 11.877 -5.117 9.780 1.00 1.36 O ATOM 572 CB ASP A 60 10.799 -4.898 6.610 1.00 2.10 C ATOM 573 CG ASP A 60 10.472 -6.169 5.849 1.00 2.87 C ATOM 574 OD1 ASP A 60 11.175 -7.181 6.055 1.00 3.56 O ATOM 575 OD2 ASP A 60 9.514 -6.151 5.048 1.00 3.17 O ATOM 0 H ASP A 60 10.255 -2.827 7.841 1.00 1.26 H new ATOM 0 HA ASP A 60 9.268 -5.401 8.026 1.00 1.54 H new ATOM 0 HB2 ASP A 60 10.393 -4.041 6.073 1.00 2.10 H new ATOM 0 HB3 ASP A 60 11.881 -4.768 6.647 1.00 2.10 H new ATOM 580 N LYS A 61 11.200 -7.008 8.772 1.00 1.65 N ATOM 581 CA LYS A 61 12.051 -7.876 9.581 1.00 1.85 C ATOM 582 C LYS A 61 13.438 -8.061 8.966 1.00 1.82 C ATOM 583 O LYS A 61 14.451 -7.739 9.587 1.00 1.93 O ATOM 584 CB LYS A 61 11.392 -9.241 9.772 1.00 2.35 C ATOM 585 CG LYS A 61 10.157 -9.211 10.661 1.00 2.39 C ATOM 586 CD LYS A 61 8.974 -8.563 9.961 1.00 2.98 C ATOM 587 CE LYS A 61 7.723 -8.607 10.824 1.00 3.67 C ATOM 588 NZ LYS A 61 7.870 -7.789 12.059 1.00 4.11 N ATOM 0 H LYS A 61 10.633 -7.500 8.082 1.00 1.65 H new ATOM 0 HA LYS A 61 12.175 -7.388 10.548 1.00 1.85 H new ATOM 0 HB2 LYS A 61 11.115 -9.640 8.796 1.00 2.35 H new ATOM 0 HB3 LYS A 61 12.121 -9.928 10.202 1.00 2.35 H new ATOM 0 HG2 LYS A 61 9.894 -10.228 10.953 1.00 2.39 H new ATOM 0 HG3 LYS A 61 10.382 -8.664 11.577 1.00 2.39 H new ATOM 0 HD2 LYS A 61 9.215 -7.528 9.720 1.00 2.98 H new ATOM 0 HD3 LYS A 61 8.784 -9.074 9.017 1.00 2.98 H new ATOM 0 HE2 LYS A 61 6.872 -8.244 10.248 1.00 3.67 H new ATOM 0 HE3 LYS A 61 7.506 -9.640 11.097 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 6.951 -7.721 12.542 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 8.561 -8.238 12.693 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 8.200 -6.836 11.807 1.00 4.11 H new ATOM 602 N GLU A 62 13.474 -8.610 7.756 1.00 1.86 N ATOM 603 CA GLU A 62 14.733 -8.876 7.059 1.00 1.95 C ATOM 604 C GLU A 62 15.698 -7.696 7.130 1.00 1.79 C ATOM 605 O GLU A 62 16.912 -7.876 7.028 1.00 1.95 O ATOM 606 CB GLU A 62 14.464 -9.230 5.594 1.00 2.09 C ATOM 607 CG GLU A 62 13.801 -10.587 5.408 1.00 2.41 C ATOM 608 CD GLU A 62 13.639 -10.963 3.947 1.00 3.00 C ATOM 609 OE1 GLU A 62 14.599 -11.507 3.363 1.00 3.80 O ATOM 610 OE2 GLU A 62 12.550 -10.712 3.387 1.00 3.14 O ATOM 0 H GLU A 62 12.642 -8.882 7.233 1.00 1.86 H new ATOM 0 HA GLU A 62 15.203 -9.719 7.565 1.00 1.95 H new ATOM 0 HB2 GLU A 62 13.829 -8.461 5.154 1.00 2.09 H new ATOM 0 HB3 GLU A 62 15.407 -9.217 5.047 1.00 2.09 H new ATOM 0 HG2 GLU A 62 14.395 -11.349 5.912 1.00 2.41 H new ATOM 0 HG3 GLU A 62 12.822 -10.578 5.887 1.00 2.41 H new ATOM 617 N PHE A 63 15.166 -6.493 7.292 1.00 1.55 N ATOM 618 CA PHE A 63 16.007 -5.302 7.358 1.00 1.41 C ATOM 619 C PHE A 63 16.729 -5.249 8.699 1.00 1.54 C ATOM 620 O PHE A 63 17.833 -4.716 8.809 1.00 1.79 O ATOM 621 CB PHE A 63 15.170 -4.037 7.144 1.00 1.10 C ATOM 622 CG PHE A 63 14.243 -4.089 5.954 1.00 0.91 C ATOM 623 CD1 PHE A 63 14.271 -5.150 5.055 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.315 -3.083 5.759 1.00 0.72 C ATOM 625 CE1 PHE A 63 13.397 -5.198 3.993 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.427 -3.131 4.698 1.00 0.88 C ATOM 627 CZ PHE A 63 12.473 -4.193 3.816 1.00 1.02 C ATOM 0 H PHE A 63 14.166 -6.314 7.380 1.00 1.55 H new ATOM 0 HA PHE A 63 16.750 -5.353 6.562 1.00 1.41 H new ATOM 0 HB2 PHE A 63 14.578 -3.853 8.041 1.00 1.10 H new ATOM 0 HB3 PHE A 63 15.843 -3.188 7.026 1.00 1.10 H new ATOM 0 HD1 PHE A 63 14.988 -5.946 5.192 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.282 -2.248 6.444 1.00 0.72 H new ATOM 0 HE1 PHE A 63 13.436 -6.024 3.298 1.00 1.22 H new ATOM 0 HE2 PHE A 63 11.702 -2.342 4.561 1.00 0.88 H new ATOM 0 HZ PHE A 63 11.783 -4.235 2.986 1.00 1.02 H new ATOM 637 N GLY A 64 16.096 -5.835 9.709 1.00 1.52 N ATOM 638 CA GLY A 64 16.674 -5.887 11.035 1.00 1.73 C ATOM 639 C GLY A 64 17.009 -4.526 11.614 1.00 1.66 C ATOM 640 O GLY A 64 16.268 -3.561 11.435 1.00 2.32 O ATOM 0 H GLY A 64 15.182 -6.280 9.629 1.00 1.52 H new ATOM 0 HA2 GLY A 64 15.979 -6.394 11.704 1.00 1.73 H new ATOM 0 HA3 GLY A 64 17.581 -6.490 11.002 1.00 1.73 H new ATOM 644 N LEU A 65 18.132 -4.467 12.330 1.00 1.73 N ATOM 645 CA LEU A 65 18.594 -3.237 12.976 1.00 2.08 C ATOM 646 C LEU A 65 18.329 -2.000 12.119 1.00 2.04 C ATOM 647 O LEU A 65 17.646 -1.071 12.553 1.00 2.62 O ATOM 648 CB LEU A 65 20.088 -3.344 13.288 1.00 2.62 C ATOM 649 CG LEU A 65 20.596 -2.393 14.373 1.00 2.98 C ATOM 650 CD1 LEU A 65 20.303 -0.949 13.999 1.00 3.23 C ATOM 651 CD2 LEU A 65 19.970 -2.737 15.716 1.00 3.51 C ATOM 0 H LEU A 65 18.746 -5.268 12.479 1.00 1.73 H new ATOM 0 HA LEU A 65 18.029 -3.121 13.901 1.00 2.08 H new ATOM 0 HB2 LEU A 65 20.307 -4.367 13.593 1.00 2.62 H new ATOM 0 HB3 LEU A 65 20.649 -3.157 12.372 1.00 2.62 H new ATOM 0 HG LEU A 65 21.676 -2.511 14.457 1.00 2.98 H new ATOM 0 HD11 LEU A 65 20.672 -0.288 14.783 1.00 3.23 H new ATOM 0 HD12 LEU A 65 20.799 -0.709 13.059 1.00 3.23 H new ATOM 0 HD13 LEU A 65 19.227 -0.813 13.886 1.00 3.23 H new ATOM 0 HD21 LEU A 65 20.342 -2.051 16.477 1.00 3.51 H new ATOM 0 HD22 LEU A 65 18.886 -2.648 15.646 1.00 3.51 H new ATOM 0 HD23 LEU A 65 20.233 -3.759 15.989 1.00 3.51 H new ATOM 663 N ASP A 66 18.874 -1.987 10.908 1.00 1.94 N ATOM 664 CA ASP A 66 18.692 -0.855 10.008 1.00 2.04 C ATOM 665 C ASP A 66 18.391 -1.319 8.583 1.00 1.41 C ATOM 666 O ASP A 66 17.243 -1.639 8.284 1.00 1.89 O ATOM 667 CB ASP A 66 19.918 0.065 10.051 1.00 2.97 C ATOM 668 CG ASP A 66 21.220 -0.703 10.183 1.00 4.03 C ATOM 669 OD1 ASP A 66 21.664 -1.298 9.179 1.00 4.70 O ATOM 670 OD2 ASP A 66 21.796 -0.708 11.291 1.00 4.42 O ATOM 0 H ASP A 66 19.443 -2.744 10.528 1.00 1.94 H new ATOM 0 HA ASP A 66 17.828 -0.285 10.349 1.00 2.04 H new ATOM 0 HB2 ASP A 66 19.947 0.668 9.144 1.00 2.97 H new ATOM 0 HB3 ASP A 66 19.821 0.755 10.889 1.00 2.97 H new ATOM 675 N SER A 67 19.408 -1.349 7.706 1.00 1.46 N ATOM 676 CA SER A 67 19.217 -1.770 6.318 1.00 2.04 C ATOM 677 C SER A 67 18.342 -0.775 5.571 1.00 2.10 C ATOM 678 O SER A 67 18.800 -0.084 4.661 1.00 2.64 O ATOM 679 CB SER A 67 18.586 -3.157 6.263 1.00 2.55 C ATOM 680 OG SER A 67 19.494 -4.151 6.708 1.00 2.95 O ATOM 0 H SER A 67 20.366 -1.087 7.938 1.00 1.46 H new ATOM 0 HA SER A 67 20.195 -1.807 5.838 1.00 2.04 H new ATOM 0 HB2 SER A 67 17.689 -3.176 6.882 1.00 2.55 H new ATOM 0 HB3 SER A 67 18.273 -3.377 5.242 1.00 2.55 H new ATOM 0 HG SER A 67 19.153 -4.561 7.530 1.00 2.95 H new ATOM 686 N THR A 68 17.087 -0.702 5.993 1.00 1.67 N ATOM 687 CA THR A 68 16.096 0.212 5.425 1.00 1.78 C ATOM 688 C THR A 68 16.735 1.542 5.007 1.00 1.59 C ATOM 689 O THR A 68 17.208 1.656 3.882 1.00 2.23 O ATOM 690 CB THR A 68 14.977 0.424 6.443 1.00 2.14 C ATOM 691 OG1 THR A 68 14.264 1.610 6.175 1.00 2.77 O ATOM 692 CG2 THR A 68 15.470 0.471 7.874 1.00 2.70 C ATOM 0 H THR A 68 16.721 -1.281 6.748 1.00 1.67 H new ATOM 0 HA THR A 68 15.678 -0.229 4.520 1.00 1.78 H new ATOM 0 HB THR A 68 14.324 -0.443 6.338 1.00 2.14 H new ATOM 0 HG1 THR A 68 13.432 1.392 5.705 1.00 2.77 H new ATOM 0 HG21 THR A 68 14.625 0.624 8.545 1.00 2.70 H new ATOM 0 HG22 THR A 68 15.963 -0.469 8.120 1.00 2.70 H new ATOM 0 HG23 THR A 68 16.177 1.292 7.988 1.00 2.70 H new ATOM 700 N ASN A 69 16.755 2.537 5.910 1.00 1.07 N ATOM 701 CA ASN A 69 17.346 3.858 5.623 1.00 1.18 C ATOM 702 C ASN A 69 17.086 4.271 4.183 1.00 1.14 C ATOM 703 O ASN A 69 17.925 4.897 3.536 1.00 2.00 O ATOM 704 CB ASN A 69 18.848 3.864 5.908 1.00 1.57 C ATOM 705 CG ASN A 69 19.500 2.516 5.672 1.00 1.96 C ATOM 706 OD1 ASN A 69 19.480 1.673 6.695 1.00 2.86 O flip ATOM 707 ND2 ASN A 69 20.007 2.236 4.587 1.00 1.89 N flip ATOM 0 H ASN A 69 16.367 2.452 6.849 1.00 1.07 H new ATOM 0 HA ASN A 69 16.867 4.581 6.283 1.00 1.18 H new ATOM 0 HB2 ASN A 69 19.329 4.610 5.276 1.00 1.57 H new ATOM 0 HB3 ASN A 69 19.015 4.166 6.942 1.00 1.57 H new ATOM 0 HD21 ASN A 69 19.998 2.918 3.829 1.00 1.89 H new ATOM 0 HD22 ASN A 69 20.436 1.322 4.445 1.00 1.89 H new ATOM 714 N ASN A 70 15.908 3.878 3.719 1.00 1.04 N ATOM 715 CA ASN A 70 15.411 4.118 2.371 1.00 1.32 C ATOM 716 C ASN A 70 14.744 2.849 1.882 1.00 1.16 C ATOM 717 O ASN A 70 15.065 1.753 2.342 1.00 1.05 O ATOM 718 CB ASN A 70 16.487 4.582 1.369 1.00 1.70 C ATOM 719 CG ASN A 70 17.607 3.584 1.154 1.00 1.67 C ATOM 720 OD1 ASN A 70 18.084 2.948 2.088 1.00 2.23 O ATOM 721 ND2 ASN A 70 18.034 3.448 -0.095 1.00 1.52 N ATOM 0 H ASN A 70 15.244 3.361 4.296 1.00 1.04 H new ATOM 0 HA ASN A 70 14.704 4.946 2.427 1.00 1.32 H new ATOM 0 HB2 ASN A 70 16.010 4.788 0.411 1.00 1.70 H new ATOM 0 HB3 ASN A 70 16.915 5.521 1.721 1.00 1.70 H new ATOM 0 HD21 ASN A 70 18.787 2.794 -0.308 1.00 1.52 H new ATOM 0 HD22 ASN A 70 17.609 3.997 -0.842 1.00 1.52 H new ATOM 728 N ILE A 71 13.811 2.995 0.965 1.00 1.26 N ATOM 729 CA ILE A 71 13.084 1.853 0.424 1.00 1.24 C ATOM 730 C ILE A 71 14.003 0.701 -0.008 1.00 1.02 C ATOM 731 O ILE A 71 13.515 -0.392 -0.252 1.00 0.95 O ATOM 732 CB ILE A 71 12.177 2.234 -0.759 1.00 1.56 C ATOM 733 CG1 ILE A 71 12.791 3.369 -1.574 1.00 1.60 C ATOM 734 CG2 ILE A 71 10.793 2.624 -0.264 1.00 2.25 C ATOM 735 CD1 ILE A 71 14.265 3.196 -1.870 1.00 1.84 C ATOM 0 H ILE A 71 13.533 3.895 0.574 1.00 1.26 H new ATOM 0 HA ILE A 71 12.465 1.510 1.253 1.00 1.24 H new ATOM 0 HB ILE A 71 12.082 1.363 -1.408 1.00 1.56 H new ATOM 0 HG12 ILE A 71 12.251 3.457 -2.517 1.00 1.60 H new ATOM 0 HG13 ILE A 71 12.648 4.306 -1.036 1.00 1.60 H new ATOM 0 HG21 ILE A 71 10.164 2.891 -1.114 1.00 2.25 H new ATOM 0 HG22 ILE A 71 10.347 1.784 0.268 1.00 2.25 H new ATOM 0 HG23 ILE A 71 10.874 3.478 0.409 1.00 2.25 H new ATOM 0 HD11 ILE A 71 14.621 4.046 -2.452 1.00 1.84 H new ATOM 0 HD12 ILE A 71 14.820 3.140 -0.934 1.00 1.84 H new ATOM 0 HD13 ILE A 71 14.417 2.278 -2.438 1.00 1.84 H new ATOM 747 N GLU A 72 15.318 0.937 -0.155 1.00 1.00 N ATOM 748 CA GLU A 72 16.241 -0.123 -0.591 1.00 0.97 C ATOM 749 C GLU A 72 15.912 -1.452 0.097 1.00 0.79 C ATOM 750 O GLU A 72 15.603 -2.447 -0.567 1.00 0.78 O ATOM 751 CB GLU A 72 17.687 0.276 -0.292 1.00 1.11 C ATOM 752 CG GLU A 72 18.706 -0.785 -0.675 1.00 1.49 C ATOM 753 CD GLU A 72 20.126 -0.374 -0.343 1.00 1.95 C ATOM 754 OE1 GLU A 72 20.781 0.249 -1.206 1.00 2.41 O ATOM 755 OE2 GLU A 72 20.585 -0.677 0.777 1.00 2.49 O ATOM 0 H GLU A 72 15.760 1.839 0.019 1.00 1.00 H new ATOM 0 HA GLU A 72 16.123 -0.253 -1.667 1.00 0.97 H new ATOM 0 HB2 GLU A 72 17.918 1.198 -0.826 1.00 1.11 H new ATOM 0 HB3 GLU A 72 17.782 0.491 0.772 1.00 1.11 H new ATOM 0 HG2 GLU A 72 18.470 -1.714 -0.157 1.00 1.49 H new ATOM 0 HG3 GLU A 72 18.630 -0.988 -1.743 1.00 1.49 H new ATOM 762 N ALA A 73 15.911 -1.468 1.425 1.00 0.70 N ATOM 763 CA ALA A 73 15.544 -2.681 2.140 1.00 0.60 C ATOM 764 C ALA A 73 14.140 -3.080 1.705 1.00 0.54 C ATOM 765 O ALA A 73 13.845 -4.252 1.489 1.00 0.56 O ATOM 766 CB ALA A 73 15.621 -2.477 3.642 1.00 0.66 C ATOM 0 H ALA A 73 16.155 -0.673 2.016 1.00 0.70 H new ATOM 0 HA ALA A 73 16.245 -3.480 1.899 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.341 -3.400 4.149 1.00 0.66 H new ATOM 0 HB2 ALA A 73 16.639 -2.204 3.920 1.00 0.66 H new ATOM 0 HB3 ALA A 73 14.938 -1.680 3.936 1.00 0.66 H new ATOM 772 N ALA A 74 13.295 -2.070 1.512 1.00 0.56 N ATOM 773 CA ALA A 74 11.943 -2.290 1.026 1.00 0.65 C ATOM 774 C ALA A 74 12.018 -2.996 -0.322 1.00 0.63 C ATOM 775 O ALA A 74 11.148 -3.781 -0.680 1.00 0.73 O ATOM 776 CB ALA A 74 11.190 -0.972 0.902 1.00 0.77 C ATOM 0 H ALA A 74 13.527 -1.092 1.686 1.00 0.56 H new ATOM 0 HA ALA A 74 11.398 -2.912 1.736 1.00 0.65 H new ATOM 0 HB1 ALA A 74 10.181 -1.162 0.537 1.00 0.77 H new ATOM 0 HB2 ALA A 74 11.137 -0.490 1.878 1.00 0.77 H new ATOM 0 HB3 ALA A 74 11.712 -0.319 0.202 1.00 0.77 H new ATOM 782 N LYS A 75 13.092 -2.727 -1.058 1.00 0.60 N ATOM 783 CA LYS A 75 13.306 -3.355 -2.350 1.00 0.69 C ATOM 784 C LYS A 75 13.530 -4.848 -2.159 1.00 0.68 C ATOM 785 O LYS A 75 13.298 -5.640 -3.065 1.00 0.81 O ATOM 786 CB LYS A 75 14.506 -2.730 -3.069 1.00 0.81 C ATOM 787 CG LYS A 75 14.563 -3.054 -4.552 1.00 1.26 C ATOM 788 CD LYS A 75 15.730 -2.352 -5.227 1.00 1.49 C ATOM 789 CE LYS A 75 15.747 -2.612 -6.724 1.00 1.90 C ATOM 790 NZ LYS A 75 14.497 -2.144 -7.382 1.00 2.16 N ATOM 0 H LYS A 75 13.826 -2.077 -0.778 1.00 0.60 H new ATOM 0 HA LYS A 75 12.421 -3.196 -2.967 1.00 0.69 H new ATOM 0 HB2 LYS A 75 14.471 -1.648 -2.943 1.00 0.81 H new ATOM 0 HB3 LYS A 75 15.424 -3.077 -2.594 1.00 0.81 H new ATOM 0 HG2 LYS A 75 14.657 -4.131 -4.688 1.00 1.26 H new ATOM 0 HG3 LYS A 75 13.630 -2.753 -5.028 1.00 1.26 H new ATOM 0 HD2 LYS A 75 15.666 -1.279 -5.044 1.00 1.49 H new ATOM 0 HD3 LYS A 75 16.666 -2.695 -4.787 1.00 1.49 H new ATOM 0 HE2 LYS A 75 16.604 -2.107 -7.171 1.00 1.90 H new ATOM 0 HE3 LYS A 75 15.876 -3.679 -6.906 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 14.652 -2.069 -8.408 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 13.732 -2.823 -7.196 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 14.233 -1.212 -7.003 1.00 2.16 H new ATOM 804 N LYS A 76 13.982 -5.232 -0.965 1.00 0.60 N ATOM 805 CA LYS A 76 14.214 -6.644 -0.676 1.00 0.66 C ATOM 806 C LYS A 76 12.883 -7.367 -0.444 1.00 0.60 C ATOM 807 O LYS A 76 12.470 -8.231 -1.233 1.00 0.68 O ATOM 808 CB LYS A 76 15.108 -6.793 0.567 1.00 0.73 C ATOM 809 CG LYS A 76 15.257 -8.226 1.060 1.00 0.96 C ATOM 810 CD LYS A 76 15.473 -8.275 2.567 1.00 1.23 C ATOM 811 CE LYS A 76 16.765 -7.582 2.970 1.00 2.08 C ATOM 812 NZ LYS A 76 17.958 -8.238 2.366 1.00 2.52 N ATOM 0 H LYS A 76 14.191 -4.596 -0.195 1.00 0.60 H new ATOM 0 HA LYS A 76 14.716 -7.093 -1.533 1.00 0.66 H new ATOM 0 HB2 LYS A 76 16.097 -6.394 0.340 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.696 -6.185 1.372 1.00 0.73 H new ATOM 0 HG2 LYS A 76 14.365 -8.797 0.800 1.00 0.96 H new ATOM 0 HG3 LYS A 76 16.098 -8.701 0.555 1.00 0.96 H new ATOM 0 HD2 LYS A 76 14.632 -7.800 3.071 1.00 1.23 H new ATOM 0 HD3 LYS A 76 15.498 -9.313 2.898 1.00 1.23 H new ATOM 0 HE2 LYS A 76 16.729 -6.538 2.660 1.00 2.08 H new ATOM 0 HE3 LYS A 76 16.857 -7.589 4.056 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 18.821 -7.873 2.818 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 17.900 -9.266 2.511 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 17.988 -8.034 1.347 1.00 2.52 H new ATOM 826 N VAL A 77 12.200 -6.987 0.632 1.00 0.54 N ATOM 827 CA VAL A 77 10.914 -7.585 0.969 1.00 0.59 C ATOM 828 C VAL A 77 9.791 -6.910 0.213 1.00 0.57 C ATOM 829 O VAL A 77 8.991 -7.571 -0.448 1.00 0.62 O ATOM 830 CB VAL A 77 10.630 -7.507 2.480 1.00 0.76 C ATOM 831 CG1 VAL A 77 9.296 -8.159 2.808 1.00 1.04 C ATOM 832 CG2 VAL A 77 11.755 -8.155 3.271 1.00 1.61 C ATOM 0 H VAL A 77 12.516 -6.269 1.284 1.00 0.54 H new ATOM 0 HA VAL A 77 10.966 -8.634 0.679 1.00 0.59 H new ATOM 0 HB VAL A 77 10.575 -6.456 2.765 1.00 0.76 H new ATOM 0 HG11 VAL A 77 9.113 -8.094 3.881 1.00 1.04 H new ATOM 0 HG12 VAL A 77 8.498 -7.645 2.272 1.00 1.04 H new ATOM 0 HG13 VAL A 77 9.319 -9.206 2.507 1.00 1.04 H new ATOM 0 HG21 VAL A 77 11.535 -8.089 4.337 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.846 -9.202 2.983 1.00 1.61 H new ATOM 0 HG23 VAL A 77 12.692 -7.638 3.061 1.00 1.61 H new ATOM 842 N GLY A 78 9.744 -5.587 0.295 1.00 0.61 N ATOM 843 CA GLY A 78 8.722 -4.838 -0.407 1.00 0.76 C ATOM 844 C GLY A 78 8.568 -5.306 -1.837 1.00 0.78 C ATOM 845 O GLY A 78 7.477 -5.275 -2.378 1.00 0.94 O ATOM 0 H GLY A 78 10.396 -5.019 0.836 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.771 -4.943 0.115 1.00 0.76 H new ATOM 0 HA3 GLY A 78 8.976 -3.778 -0.396 1.00 0.76 H new ATOM 849 N GLU A 79 9.679 -5.751 -2.436 1.00 0.70 N ATOM 850 CA GLU A 79 9.678 -6.238 -3.817 1.00 0.82 C ATOM 851 C GLU A 79 8.948 -7.570 -3.938 1.00 0.77 C ATOM 852 O GLU A 79 7.938 -7.667 -4.633 1.00 0.79 O ATOM 853 CB GLU A 79 11.106 -6.386 -4.335 1.00 0.91 C ATOM 854 CG GLU A 79 11.192 -7.006 -5.720 1.00 1.18 C ATOM 855 CD GLU A 79 10.402 -6.231 -6.755 1.00 1.88 C ATOM 856 OE1 GLU A 79 10.961 -5.275 -7.333 1.00 2.16 O ATOM 857 OE2 GLU A 79 9.226 -6.579 -6.988 1.00 2.67 O ATOM 0 H GLU A 79 10.592 -5.783 -1.983 1.00 0.70 H new ATOM 0 HA GLU A 79 9.150 -5.501 -4.422 1.00 0.82 H new ATOM 0 HB2 GLU A 79 11.579 -5.404 -4.356 1.00 0.91 H new ATOM 0 HB3 GLU A 79 11.675 -6.999 -3.636 1.00 0.91 H new ATOM 0 HG2 GLU A 79 12.236 -7.056 -6.028 1.00 1.18 H new ATOM 0 HG3 GLU A 79 10.823 -8.031 -5.679 1.00 1.18 H new ATOM 864 N LEU A 80 9.443 -8.607 -3.263 1.00 0.76 N ATOM 865 CA LEU A 80 8.777 -9.910 -3.332 1.00 0.78 C ATOM 866 C LEU A 80 7.289 -9.741 -3.015 1.00 0.72 C ATOM 867 O LEU A 80 6.402 -10.087 -3.818 1.00 0.73 O ATOM 868 CB LEU A 80 9.414 -10.895 -2.350 1.00 0.86 C ATOM 869 CG LEU A 80 10.922 -11.089 -2.510 1.00 1.28 C ATOM 870 CD1 LEU A 80 11.436 -12.108 -1.506 1.00 1.69 C ATOM 871 CD2 LEU A 80 11.259 -11.521 -3.930 1.00 2.00 C ATOM 0 H LEU A 80 10.278 -8.576 -2.678 1.00 0.76 H new ATOM 0 HA LEU A 80 8.891 -10.310 -4.339 1.00 0.78 H new ATOM 0 HB2 LEU A 80 9.213 -10.552 -1.335 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.925 -11.863 -2.462 1.00 0.86 H new ATOM 0 HG LEU A 80 11.414 -10.136 -2.317 1.00 1.28 H new ATOM 0 HD11 LEU A 80 12.511 -12.234 -1.634 1.00 1.69 H new ATOM 0 HD12 LEU A 80 11.229 -11.758 -0.494 1.00 1.69 H new ATOM 0 HD13 LEU A 80 10.937 -13.063 -1.669 1.00 1.69 H new ATOM 0 HD21 LEU A 80 12.337 -11.654 -4.024 1.00 2.00 H new ATOM 0 HD22 LEU A 80 10.757 -12.462 -4.153 1.00 2.00 H new ATOM 0 HD23 LEU A 80 10.925 -10.757 -4.632 1.00 2.00 H new ATOM 883 N VAL A 81 7.034 -9.168 -1.844 1.00 0.75 N ATOM 884 CA VAL A 81 5.682 -8.901 -1.391 1.00 0.76 C ATOM 885 C VAL A 81 4.974 -7.950 -2.349 1.00 0.74 C ATOM 886 O VAL A 81 3.751 -7.903 -2.395 1.00 0.74 O ATOM 887 CB VAL A 81 5.682 -8.287 0.026 1.00 0.85 C ATOM 888 CG1 VAL A 81 6.439 -6.972 0.035 1.00 1.14 C ATOM 889 CG2 VAL A 81 4.263 -8.085 0.537 1.00 0.95 C ATOM 0 H VAL A 81 7.759 -8.878 -1.187 1.00 0.75 H new ATOM 0 HA VAL A 81 5.151 -9.852 -1.365 1.00 0.76 H new ATOM 0 HB VAL A 81 6.185 -8.986 0.694 1.00 0.85 H new ATOM 0 HG11 VAL A 81 6.429 -6.553 1.041 1.00 1.14 H new ATOM 0 HG12 VAL A 81 7.469 -7.143 -0.277 1.00 1.14 H new ATOM 0 HG13 VAL A 81 5.963 -6.274 -0.653 1.00 1.14 H new ATOM 0 HG21 VAL A 81 4.295 -7.651 1.537 1.00 0.95 H new ATOM 0 HG22 VAL A 81 3.727 -7.413 -0.133 1.00 0.95 H new ATOM 0 HG23 VAL A 81 3.749 -9.046 0.574 1.00 0.95 H new ATOM 899 N ALA A 82 5.742 -7.178 -3.113 1.00 0.81 N ATOM 900 CA ALA A 82 5.139 -6.233 -4.042 1.00 0.87 C ATOM 901 C ALA A 82 4.436 -6.944 -5.188 1.00 0.79 C ATOM 902 O ALA A 82 3.230 -6.799 -5.382 1.00 0.85 O ATOM 903 CB ALA A 82 6.181 -5.279 -4.616 1.00 1.03 C ATOM 0 H ALA A 82 6.762 -7.188 -3.108 1.00 0.81 H new ATOM 0 HA ALA A 82 4.404 -5.665 -3.473 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.699 -4.586 -5.306 1.00 1.03 H new ATOM 0 HB2 ALA A 82 6.647 -4.719 -3.805 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.943 -5.849 -5.148 1.00 1.03 H new ATOM 909 N LYS A 83 5.208 -7.705 -5.948 1.00 0.81 N ATOM 910 CA LYS A 83 4.691 -8.428 -7.101 1.00 0.89 C ATOM 911 C LYS A 83 3.356 -9.111 -6.824 1.00 0.81 C ATOM 912 O LYS A 83 2.376 -8.883 -7.536 1.00 0.90 O ATOM 913 CB LYS A 83 5.711 -9.467 -7.571 1.00 1.06 C ATOM 914 CG LYS A 83 7.052 -8.871 -7.966 1.00 1.43 C ATOM 915 CD LYS A 83 7.915 -9.881 -8.705 1.00 1.75 C ATOM 916 CE LYS A 83 8.161 -11.125 -7.867 1.00 2.04 C ATOM 917 NZ LYS A 83 9.005 -12.122 -8.584 1.00 2.68 N ATOM 0 H LYS A 83 6.206 -7.839 -5.785 1.00 0.81 H new ATOM 0 HA LYS A 83 4.519 -7.688 -7.883 1.00 0.89 H new ATOM 0 HB2 LYS A 83 5.867 -10.196 -6.775 1.00 1.06 H new ATOM 0 HB3 LYS A 83 5.299 -10.008 -8.423 1.00 1.06 H new ATOM 0 HG2 LYS A 83 6.891 -7.997 -8.598 1.00 1.43 H new ATOM 0 HG3 LYS A 83 7.576 -8.527 -7.074 1.00 1.43 H new ATOM 0 HD2 LYS A 83 7.429 -10.161 -9.640 1.00 1.75 H new ATOM 0 HD3 LYS A 83 8.869 -9.423 -8.967 1.00 1.75 H new ATOM 0 HE2 LYS A 83 8.647 -10.843 -6.933 1.00 2.04 H new ATOM 0 HE3 LYS A 83 7.206 -11.580 -7.604 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 9.149 -12.955 -7.978 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 8.530 -12.411 -9.463 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 9.926 -11.697 -8.812 1.00 2.68 H new ATOM 931 N ARG A 84 3.323 -9.978 -5.822 1.00 0.81 N ATOM 932 CA ARG A 84 2.096 -10.718 -5.520 1.00 0.84 C ATOM 933 C ARG A 84 1.117 -9.946 -4.633 1.00 0.61 C ATOM 934 O ARG A 84 -0.081 -9.893 -4.912 1.00 0.71 O ATOM 935 CB ARG A 84 2.452 -12.048 -4.853 1.00 1.13 C ATOM 936 CG ARG A 84 3.171 -11.888 -3.523 1.00 1.39 C ATOM 937 CD ARG A 84 3.936 -13.146 -3.146 1.00 1.98 C ATOM 938 NE ARG A 84 3.080 -14.327 -3.138 1.00 2.44 N ATOM 939 CZ ARG A 84 3.545 -15.572 -3.095 1.00 3.11 C ATOM 940 NH1 ARG A 84 4.853 -15.792 -3.065 1.00 3.54 N ATOM 941 NH2 ARG A 84 2.705 -16.596 -3.083 1.00 3.69 N ATOM 0 H ARG A 84 4.113 -10.187 -5.212 1.00 0.81 H new ATOM 0 HA ARG A 84 1.590 -10.883 -6.471 1.00 0.84 H new ATOM 0 HB2 ARG A 84 1.539 -12.622 -4.696 1.00 1.13 H new ATOM 0 HB3 ARG A 84 3.081 -12.627 -5.529 1.00 1.13 H new ATOM 0 HG2 ARG A 84 3.860 -11.046 -3.580 1.00 1.39 H new ATOM 0 HG3 ARG A 84 2.447 -11.654 -2.743 1.00 1.39 H new ATOM 0 HD2 ARG A 84 4.754 -13.297 -3.850 1.00 1.98 H new ATOM 0 HD3 ARG A 84 4.383 -13.016 -2.160 1.00 1.98 H new ATOM 0 HE ARG A 84 2.070 -14.190 -3.167 1.00 2.44 H new ATOM 0 HH11 ARG A 84 5.503 -15.006 -3.075 1.00 3.54 H new ATOM 0 HH12 ARG A 84 5.209 -16.747 -3.032 1.00 3.54 H new ATOM 0 HH21 ARG A 84 1.699 -16.431 -3.107 1.00 3.69 H new ATOM 0 HH22 ARG A 84 3.064 -17.550 -3.050 1.00 3.69 H new ATOM 955 N ALA A 85 1.627 -9.401 -3.544 1.00 0.61 N ATOM 956 CA ALA A 85 0.814 -8.689 -2.567 1.00 0.80 C ATOM 957 C ALA A 85 0.361 -7.294 -2.988 1.00 1.06 C ATOM 958 O ALA A 85 -0.503 -6.734 -2.312 1.00 1.38 O ATOM 959 CB ALA A 85 1.512 -8.626 -1.228 1.00 1.21 C ATOM 0 H ALA A 85 2.619 -9.438 -3.309 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.099 -9.279 -2.491 1.00 0.80 H new ATOM 0 HB1 ALA A 85 0.885 -8.090 -0.516 1.00 1.21 H new ATOM 0 HB2 ALA A 85 1.692 -9.637 -0.863 1.00 1.21 H new ATOM 0 HB3 ALA A 85 2.463 -8.105 -1.338 1.00 1.21 H new ATOM 965 N LEU A 86 0.932 -6.692 -4.054 1.00 1.11 N ATOM 966 CA LEU A 86 0.515 -5.330 -4.442 1.00 1.61 C ATOM 967 C LEU A 86 -0.999 -5.229 -4.374 1.00 1.90 C ATOM 968 O LEU A 86 -1.549 -4.613 -3.461 1.00 2.47 O ATOM 969 CB LEU A 86 0.971 -5.042 -5.871 1.00 1.64 C ATOM 970 CG LEU A 86 2.278 -4.248 -6.071 1.00 1.91 C ATOM 971 CD1 LEU A 86 3.096 -4.119 -4.798 1.00 2.52 C ATOM 972 CD2 LEU A 86 3.105 -4.889 -7.173 1.00 1.92 C ATOM 0 H LEU A 86 1.655 -7.109 -4.640 1.00 1.11 H new ATOM 0 HA LEU A 86 0.965 -4.607 -3.762 1.00 1.61 H new ATOM 0 HB2 LEU A 86 1.079 -5.997 -6.385 1.00 1.64 H new ATOM 0 HB3 LEU A 86 0.171 -4.498 -6.373 1.00 1.64 H new ATOM 0 HG LEU A 86 1.998 -3.235 -6.360 1.00 1.91 H new ATOM 0 HD11 LEU A 86 4.003 -3.550 -5.004 1.00 2.52 H new ATOM 0 HD12 LEU A 86 2.509 -3.603 -4.039 1.00 2.52 H new ATOM 0 HD13 LEU A 86 3.365 -5.111 -4.436 1.00 2.52 H new ATOM 0 HD21 LEU A 86 4.027 -4.325 -7.311 1.00 1.92 H new ATOM 0 HD22 LEU A 86 3.346 -5.916 -6.897 1.00 1.92 H new ATOM 0 HD23 LEU A 86 2.536 -4.887 -8.103 1.00 1.92 H new ATOM 984 N GLU A 87 -1.665 -5.942 -5.248 1.00 1.70 N ATOM 985 CA GLU A 87 -3.102 -6.021 -5.179 1.00 2.11 C ATOM 986 C GLU A 87 -3.460 -7.246 -4.339 1.00 1.86 C ATOM 987 O GLU A 87 -4.533 -7.333 -3.745 1.00 2.33 O ATOM 988 CB GLU A 87 -3.730 -6.081 -6.562 1.00 2.40 C ATOM 989 CG GLU A 87 -3.742 -7.454 -7.168 1.00 2.35 C ATOM 990 CD GLU A 87 -5.138 -8.047 -7.213 1.00 2.89 C ATOM 991 OE1 GLU A 87 -5.742 -8.227 -6.135 1.00 3.30 O ATOM 992 OE2 GLU A 87 -5.625 -8.335 -8.326 1.00 3.20 O ATOM 0 H GLU A 87 -1.240 -6.471 -6.009 1.00 1.70 H new ATOM 0 HA GLU A 87 -3.502 -5.121 -4.712 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -4.754 -5.713 -6.501 1.00 2.40 H new ATOM 0 HB3 GLU A 87 -3.188 -5.407 -7.225 1.00 2.40 H new ATOM 0 HG2 GLU A 87 -3.336 -7.407 -8.178 1.00 2.35 H new ATOM 0 HG3 GLU A 87 -3.089 -8.109 -6.592 1.00 2.35 H new ATOM 999 N LYS A 88 -2.520 -8.207 -4.334 1.00 1.30 N ATOM 1000 CA LYS A 88 -2.645 -9.462 -3.619 1.00 1.38 C ATOM 1001 C LYS A 88 -3.316 -10.507 -4.494 1.00 1.33 C ATOM 1002 O LYS A 88 -2.851 -11.642 -4.601 1.00 2.14 O ATOM 1003 CB LYS A 88 -3.405 -9.293 -2.304 1.00 1.54 C ATOM 1004 CG LYS A 88 -2.933 -10.228 -1.199 1.00 1.94 C ATOM 1005 CD LYS A 88 -2.667 -11.631 -1.720 1.00 1.92 C ATOM 1006 CE LYS A 88 -2.000 -12.498 -0.665 1.00 2.31 C ATOM 1007 NZ LYS A 88 -1.723 -13.872 -1.166 1.00 3.30 N ATOM 0 H LYS A 88 -1.639 -8.119 -4.841 1.00 1.30 H new ATOM 0 HA LYS A 88 -1.639 -9.802 -3.373 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.301 -8.262 -1.965 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.466 -9.464 -2.484 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -2.024 -9.829 -0.749 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -3.686 -10.269 -0.412 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -3.606 -12.090 -2.029 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -2.032 -11.578 -2.604 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -1.066 -12.032 -0.350 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -2.640 -12.555 0.215 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -1.268 -14.430 -0.416 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -2.616 -14.327 -1.443 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -1.091 -13.820 -1.990 1.00 3.30 H new ATOM 1021 N GLY A 89 -4.406 -10.108 -5.128 1.00 1.17 N ATOM 1022 CA GLY A 89 -5.127 -11.009 -6.003 1.00 1.54 C ATOM 1023 C GLY A 89 -4.231 -11.613 -7.068 1.00 1.65 C ATOM 1024 O GLY A 89 -4.223 -12.828 -7.262 1.00 2.42 O ATOM 0 H GLY A 89 -4.806 -9.173 -5.053 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -5.574 -11.808 -5.411 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -5.945 -10.471 -6.481 1.00 1.54 H new ATOM 1028 N ILE A 90 -3.472 -10.762 -7.759 1.00 1.54 N ATOM 1029 CA ILE A 90 -2.566 -11.223 -8.810 1.00 1.78 C ATOM 1030 C ILE A 90 -1.876 -10.044 -9.488 1.00 1.49 C ATOM 1031 O ILE A 90 -0.729 -10.143 -9.924 1.00 1.75 O ATOM 1032 CB ILE A 90 -3.321 -12.052 -9.872 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -2.369 -12.517 -10.983 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -4.478 -11.249 -10.448 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -2.045 -11.457 -12.018 1.00 3.26 C ATOM 0 H ILE A 90 -3.467 -9.753 -7.610 1.00 1.54 H new ATOM 0 HA ILE A 90 -1.815 -11.855 -8.336 1.00 1.78 H new ATOM 0 HB ILE A 90 -3.728 -12.940 -9.388 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -1.439 -12.859 -10.528 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -2.812 -13.376 -11.487 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -5.000 -11.847 -11.195 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -5.170 -10.983 -9.649 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -4.095 -10.341 -10.914 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -1.367 -11.872 -12.764 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -2.964 -11.131 -12.505 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -1.571 -10.605 -11.530 1.00 3.26 H new ATOM 1047 N LYS A 91 -2.595 -8.936 -9.576 1.00 1.32 N ATOM 1048 CA LYS A 91 -2.092 -7.722 -10.204 1.00 1.13 C ATOM 1049 C LYS A 91 -1.310 -6.852 -9.216 1.00 1.05 C ATOM 1050 O LYS A 91 -1.225 -7.147 -8.024 1.00 1.59 O ATOM 1051 CB LYS A 91 -3.257 -6.917 -10.783 1.00 1.58 C ATOM 1052 CG LYS A 91 -3.986 -7.620 -11.917 1.00 2.04 C ATOM 1053 CD LYS A 91 -5.177 -6.809 -12.397 1.00 2.66 C ATOM 1054 CE LYS A 91 -5.888 -7.487 -13.557 1.00 3.45 C ATOM 1055 NZ LYS A 91 -7.024 -6.670 -14.067 1.00 3.95 N ATOM 0 H LYS A 91 -3.545 -8.852 -9.214 1.00 1.32 H new ATOM 0 HA LYS A 91 -1.411 -8.020 -11.001 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -3.968 -6.700 -9.986 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -2.881 -5.960 -11.144 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -3.298 -7.785 -12.746 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -4.323 -8.601 -11.582 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -5.877 -6.668 -11.573 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -4.843 -5.818 -12.704 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -5.177 -7.664 -14.364 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -6.257 -8.462 -13.237 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -7.482 -7.167 -14.857 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -7.715 -6.522 -13.304 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -6.669 -5.750 -14.396 1.00 3.95 H new ATOM 1069 N GLN A 92 -0.735 -5.784 -9.744 1.00 0.75 N ATOM 1070 CA GLN A 92 0.057 -4.837 -8.965 1.00 0.67 C ATOM 1071 C GLN A 92 -0.817 -3.697 -8.447 1.00 0.54 C ATOM 1072 O GLN A 92 -2.019 -3.694 -8.682 1.00 0.77 O ATOM 1073 CB GLN A 92 1.203 -4.259 -9.800 1.00 0.79 C ATOM 1074 CG GLN A 92 2.220 -5.284 -10.297 1.00 1.38 C ATOM 1075 CD GLN A 92 1.592 -6.469 -11.005 1.00 2.14 C ATOM 1076 OE1 GLN A 92 1.251 -7.499 -10.240 1.00 3.03 O flip ATOM 1077 NE2 GLN A 92 1.415 -6.461 -12.222 1.00 2.16 N flip ATOM 0 H GLN A 92 -0.803 -5.545 -10.733 1.00 0.75 H new ATOM 0 HA GLN A 92 0.476 -5.381 -8.119 1.00 0.67 H new ATOM 0 HB2 GLN A 92 0.780 -3.742 -10.661 1.00 0.79 H new ATOM 0 HB3 GLN A 92 1.725 -3.511 -9.204 1.00 0.79 H new ATOM 0 HG2 GLN A 92 2.916 -4.793 -10.977 1.00 1.38 H new ATOM 0 HG3 GLN A 92 2.803 -5.645 -9.450 1.00 1.38 H new ATOM 0 HE21 GLN A 92 1.692 -5.648 -12.772 1.00 2.16 H new ATOM 0 HE22 GLN A 92 0.991 -7.267 -12.681 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.201 -2.750 -7.724 1.00 0.43 N ATOM 1087 CA VAL A 93 -0.907 -1.598 -7.165 1.00 0.44 C ATOM 1088 C VAL A 93 -0.519 -0.322 -7.874 1.00 0.75 C ATOM 1089 O VAL A 93 0.341 -0.324 -8.734 1.00 1.27 O ATOM 1090 CB VAL A 93 -0.566 -1.348 -5.692 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -1.214 -2.371 -4.801 1.00 1.23 C ATOM 1092 CG2 VAL A 93 0.941 -1.308 -5.483 1.00 1.73 C ATOM 0 H VAL A 93 0.797 -2.765 -7.513 1.00 0.43 H new ATOM 0 HA VAL A 93 -1.963 -1.840 -7.285 1.00 0.44 H new ATOM 0 HB VAL A 93 -0.968 -0.373 -5.416 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -0.953 -2.167 -3.763 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -2.296 -2.323 -4.919 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -0.863 -3.366 -5.074 1.00 1.23 H new ATOM 0 HG21 VAL A 93 1.158 -1.129 -4.430 1.00 1.73 H new ATOM 0 HG22 VAL A 93 1.376 -2.260 -5.786 1.00 1.73 H new ATOM 0 HG23 VAL A 93 1.370 -0.506 -6.083 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.139 0.775 -7.466 1.00 1.05 N ATOM 1103 CA VAL A 94 -0.835 2.082 -8.021 1.00 1.51 C ATOM 1104 C VAL A 94 -0.439 3.019 -6.894 1.00 1.18 C ATOM 1105 O VAL A 94 -1.261 3.369 -6.047 1.00 1.87 O ATOM 1106 CB VAL A 94 -2.023 2.674 -8.800 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -2.352 1.814 -10.010 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -3.237 2.817 -7.894 1.00 3.01 C ATOM 0 H VAL A 94 -1.862 0.783 -6.746 1.00 1.05 H new ATOM 0 HA VAL A 94 -0.013 1.966 -8.727 1.00 1.51 H new ATOM 0 HB VAL A 94 -1.742 3.666 -9.154 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -3.195 2.249 -10.547 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -1.486 1.768 -10.670 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -2.612 0.808 -9.681 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -4.067 3.237 -8.462 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -3.520 1.838 -7.508 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -2.995 3.479 -7.062 1.00 3.01 H new ATOM 1118 N PHE A 95 0.833 3.390 -6.862 1.00 0.67 N ATOM 1119 CA PHE A 95 1.338 4.248 -5.804 1.00 0.49 C ATOM 1120 C PHE A 95 0.485 5.502 -5.631 1.00 0.59 C ATOM 1121 O PHE A 95 0.153 6.200 -6.589 1.00 1.09 O ATOM 1122 CB PHE A 95 2.826 4.552 -6.020 1.00 0.90 C ATOM 1123 CG PHE A 95 3.658 3.910 -4.956 1.00 1.91 C ATOM 1124 CD1 PHE A 95 3.758 2.530 -4.900 1.00 2.38 C ATOM 1125 CD2 PHE A 95 4.300 4.671 -3.991 1.00 2.81 C ATOM 1126 CE1 PHE A 95 4.487 1.918 -3.899 1.00 3.55 C ATOM 1127 CE2 PHE A 95 5.036 4.065 -2.990 1.00 3.99 C ATOM 1128 CZ PHE A 95 5.127 2.686 -2.945 1.00 4.33 C ATOM 0 H PHE A 95 1.530 3.111 -7.553 1.00 0.67 H new ATOM 0 HA PHE A 95 1.258 3.711 -4.859 1.00 0.49 H new ATOM 0 HB2 PHE A 95 3.137 4.190 -7.000 1.00 0.90 H new ATOM 0 HB3 PHE A 95 2.987 5.630 -6.013 1.00 0.90 H new ATOM 0 HD1 PHE A 95 3.262 1.927 -5.646 1.00 2.38 H new ATOM 0 HD2 PHE A 95 4.224 5.748 -4.022 1.00 2.81 H new ATOM 0 HE1 PHE A 95 4.557 0.841 -3.862 1.00 3.55 H new ATOM 0 HE2 PHE A 95 5.538 4.666 -2.246 1.00 3.99 H new ATOM 0 HZ PHE A 95 5.699 2.209 -2.163 1.00 4.33 H new ATOM 1138 N ASP A 96 0.102 5.730 -4.374 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.762 6.839 -3.974 1.00 0.81 C ATOM 1140 C ASP A 96 -0.289 8.183 -4.525 1.00 0.85 C ATOM 1141 O ASP A 96 0.607 8.246 -5.367 1.00 1.36 O ATOM 1142 CB ASP A 96 -0.838 6.904 -2.445 1.00 1.11 C ATOM 1143 CG ASP A 96 -2.225 7.265 -1.949 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -2.551 8.471 -1.922 1.00 1.69 O ATOM 1145 OD2 ASP A 96 -2.985 6.343 -1.587 1.00 2.45 O ATOM 0 H ASP A 96 0.389 5.139 -3.593 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.749 6.649 -4.396 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -0.546 5.940 -2.028 1.00 1.11 H new ATOM 0 HB3 ASP A 96 -0.122 7.640 -2.079 1.00 1.11 H new ATOM 1150 N ARG A 97 -0.906 9.261 -4.028 1.00 0.97 N ATOM 1151 CA ARG A 97 -0.572 10.624 -4.442 1.00 1.31 C ATOM 1152 C ARG A 97 0.934 10.803 -4.573 1.00 1.52 C ATOM 1153 O ARG A 97 1.425 11.290 -5.593 1.00 1.99 O ATOM 1154 CB ARG A 97 -1.128 11.627 -3.428 1.00 1.45 C ATOM 1155 CG ARG A 97 -0.806 13.076 -3.758 1.00 1.62 C ATOM 1156 CD ARG A 97 -1.311 14.018 -2.675 1.00 1.98 C ATOM 1157 NE ARG A 97 -1.030 15.416 -2.988 1.00 2.55 N ATOM 1158 CZ ARG A 97 -1.581 16.442 -2.343 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -2.439 16.223 -1.356 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -1.275 17.685 -2.687 1.00 4.10 N ATOM 0 H ARG A 97 -1.648 9.211 -3.330 1.00 0.97 H new ATOM 0 HA ARG A 97 -1.024 10.804 -5.418 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -2.210 11.509 -3.370 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -0.729 11.391 -2.442 1.00 1.45 H new ATOM 0 HG2 ARG A 97 0.272 13.194 -3.871 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -1.258 13.342 -4.713 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -2.386 13.884 -2.551 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -0.845 13.759 -1.724 1.00 1.98 H new ATOM 0 HE ARG A 97 -0.375 15.618 -3.743 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -2.677 15.268 -1.090 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -2.860 17.010 -0.863 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -0.617 17.856 -3.447 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -1.698 18.470 -2.192 1.00 4.10 H new ATOM 1174 N GLY A 98 1.663 10.392 -3.541 1.00 1.57 N ATOM 1175 CA GLY A 98 3.106 10.501 -3.571 1.00 1.94 C ATOM 1176 C GLY A 98 3.692 9.718 -4.725 1.00 1.60 C ATOM 1177 O GLY A 98 3.008 9.467 -5.717 1.00 2.16 O ATOM 0 H GLY A 98 1.280 9.987 -2.687 1.00 1.57 H new ATOM 0 HA2 GLY A 98 3.392 11.549 -3.657 1.00 1.94 H new ATOM 0 HA3 GLY A 98 3.520 10.134 -2.632 1.00 1.94 H new ATOM 1181 N GLY A 99 4.956 9.328 -4.609 1.00 1.23 N ATOM 1182 CA GLY A 99 5.584 8.580 -5.681 1.00 1.25 C ATOM 1183 C GLY A 99 5.420 9.281 -7.017 1.00 1.56 C ATOM 1184 O GLY A 99 4.798 10.341 -7.085 1.00 2.33 O ATOM 0 H GLY A 99 5.551 9.514 -3.802 1.00 1.23 H new ATOM 0 HA2 GLY A 99 6.644 8.451 -5.464 1.00 1.25 H new ATOM 0 HA3 GLY A 99 5.147 7.583 -5.736 1.00 1.25 H new ATOM 1188 N TYR A 100 5.973 8.707 -8.078 1.00 1.47 N ATOM 1189 CA TYR A 100 5.872 9.316 -9.402 1.00 1.80 C ATOM 1190 C TYR A 100 6.571 8.453 -10.450 1.00 1.69 C ATOM 1191 O TYR A 100 6.758 7.253 -10.250 1.00 2.19 O ATOM 1192 CB TYR A 100 6.501 10.714 -9.374 1.00 2.04 C ATOM 1193 CG TYR A 100 8.008 10.690 -9.305 1.00 1.95 C ATOM 1194 CD1 TYR A 100 8.658 9.976 -8.311 1.00 2.40 C ATOM 1195 CD2 TYR A 100 8.781 11.395 -10.222 1.00 2.11 C ATOM 1196 CE1 TYR A 100 10.033 9.959 -8.229 1.00 2.59 C ATOM 1197 CE2 TYR A 100 10.157 11.382 -10.148 1.00 2.30 C ATOM 1198 CZ TYR A 100 10.783 10.626 -9.208 1.00 2.40 C ATOM 1199 OH TYR A 100 12.155 10.650 -9.072 1.00 2.76 O ATOM 0 H TYR A 100 6.492 7.829 -8.051 1.00 1.47 H new ATOM 0 HA TYR A 100 4.818 9.395 -9.670 1.00 1.80 H new ATOM 0 HB2 TYR A 100 6.194 11.261 -10.266 1.00 2.04 H new ATOM 0 HB3 TYR A 100 6.114 11.262 -8.515 1.00 2.04 H new ATOM 0 HD1 TYR A 100 8.076 9.423 -7.588 1.00 2.40 H new ATOM 0 HD2 TYR A 100 8.296 11.961 -11.003 1.00 2.11 H new ATOM 0 HE1 TYR A 100 10.527 9.439 -7.421 1.00 2.59 H new ATOM 0 HE2 TYR A 100 10.739 11.974 -10.839 1.00 2.30 H new ATOM 0 HH TYR A 100 12.549 11.145 -9.821 1.00 2.76 H new ATOM 1209 N LEU A 101 6.989 9.077 -11.559 1.00 1.42 N ATOM 1210 CA LEU A 101 7.701 8.362 -12.616 1.00 1.38 C ATOM 1211 C LEU A 101 8.803 7.502 -12.007 1.00 1.16 C ATOM 1212 O LEU A 101 9.149 6.455 -12.547 1.00 1.18 O ATOM 1213 CB LEU A 101 8.306 9.348 -13.617 1.00 1.57 C ATOM 1214 CG LEU A 101 9.254 8.726 -14.644 1.00 1.80 C ATOM 1215 CD1 LEU A 101 8.548 7.632 -15.432 1.00 2.20 C ATOM 1216 CD2 LEU A 101 9.797 9.793 -15.581 1.00 2.28 C ATOM 0 H LEU A 101 6.846 10.070 -11.743 1.00 1.42 H new ATOM 0 HA LEU A 101 6.992 7.722 -13.142 1.00 1.38 H new ATOM 0 HB2 LEU A 101 7.495 9.847 -14.148 1.00 1.57 H new ATOM 0 HB3 LEU A 101 8.846 10.117 -13.065 1.00 1.57 H new ATOM 0 HG LEU A 101 10.092 8.277 -14.110 1.00 1.80 H new ATOM 0 HD11 LEU A 101 9.239 7.202 -16.157 1.00 2.20 H new ATOM 0 HD12 LEU A 101 8.208 6.853 -14.749 1.00 2.20 H new ATOM 0 HD13 LEU A 101 7.691 8.056 -15.955 1.00 2.20 H new ATOM 0 HD21 LEU A 101 10.470 9.333 -16.305 1.00 2.28 H new ATOM 0 HD22 LEU A 101 8.970 10.271 -16.106 1.00 2.28 H new ATOM 0 HD23 LEU A 101 10.341 10.541 -15.004 1.00 2.28 H new ATOM 1228 N TYR A 102 9.315 7.971 -10.858 1.00 1.11 N ATOM 1229 CA TYR A 102 10.360 7.302 -10.078 1.00 0.96 C ATOM 1230 C TYR A 102 11.724 7.920 -10.278 1.00 1.03 C ATOM 1231 O TYR A 102 11.882 8.878 -11.034 1.00 1.54 O ATOM 1232 CB TYR A 102 10.401 5.790 -10.304 1.00 0.93 C ATOM 1233 CG TYR A 102 9.124 5.109 -9.889 1.00 0.90 C ATOM 1234 CD1 TYR A 102 8.357 5.620 -8.847 1.00 0.95 C ATOM 1235 CD2 TYR A 102 8.687 3.959 -10.518 1.00 0.93 C ATOM 1236 CE1 TYR A 102 7.194 5.007 -8.454 1.00 1.05 C ATOM 1237 CE2 TYR A 102 7.523 3.342 -10.125 1.00 1.01 C ATOM 1238 CZ TYR A 102 6.778 3.868 -9.094 1.00 1.06 C ATOM 1239 OH TYR A 102 5.608 3.254 -8.707 1.00 1.25 O ATOM 0 H TYR A 102 9.004 8.847 -10.438 1.00 1.11 H new ATOM 0 HA TYR A 102 10.082 7.460 -9.036 1.00 0.96 H new ATOM 0 HB2 TYR A 102 10.590 5.589 -11.358 1.00 0.93 H new ATOM 0 HB3 TYR A 102 11.234 5.365 -9.744 1.00 0.93 H new ATOM 0 HD1 TYR A 102 8.683 6.515 -8.338 1.00 0.95 H new ATOM 0 HD2 TYR A 102 9.266 3.540 -11.327 1.00 0.93 H new ATOM 0 HE1 TYR A 102 6.609 5.419 -7.645 1.00 1.05 H new ATOM 0 HE2 TYR A 102 7.193 2.444 -10.626 1.00 1.01 H new ATOM 0 HH TYR A 102 5.632 2.310 -8.968 1.00 1.25 H new ATOM 1249 N HIS A 103 12.681 7.373 -9.522 1.00 0.77 N ATOM 1250 CA HIS A 103 14.077 7.826 -9.477 1.00 0.89 C ATOM 1251 C HIS A 103 14.320 8.581 -8.165 1.00 0.87 C ATOM 1252 O HIS A 103 15.463 8.787 -7.760 1.00 1.36 O ATOM 1253 CB HIS A 103 14.454 8.710 -10.672 1.00 1.19 C ATOM 1254 CG HIS A 103 15.901 9.089 -10.702 1.00 1.63 C ATOM 1255 ND1 HIS A 103 16.600 9.976 -9.954 1.00 2.23 N flip ATOM 1256 CD2 HIS A 103 16.808 8.532 -11.578 1.00 2.09 C flip ATOM 1257 CE1 HIS A 103 17.902 9.936 -10.388 1.00 2.54 C flip ATOM 1258 NE2 HIS A 103 18.002 9.057 -11.367 1.00 2.39 N flip ATOM 0 H HIS A 103 12.502 6.580 -8.906 1.00 0.77 H new ATOM 0 HA HIS A 103 14.712 6.942 -9.530 1.00 0.89 H new ATOM 0 HB2 HIS A 103 14.205 8.185 -11.594 1.00 1.19 H new ATOM 0 HB3 HIS A 103 13.850 9.617 -10.648 1.00 1.19 H new ATOM 0 HD2 HIS A 103 16.578 7.783 -12.321 1.00 2.09 H new ATOM 0 HE1 HIS A 103 18.713 10.528 -9.992 1.00 2.54 H new ATOM 0 HE2 HIS A 103 18.855 8.823 -11.874 1.00 2.39 H new ATOM 1267 N GLY A 104 13.225 8.974 -7.497 1.00 0.90 N ATOM 1268 CA GLY A 104 13.324 9.677 -6.232 1.00 0.97 C ATOM 1269 C GLY A 104 13.650 8.749 -5.073 1.00 0.93 C ATOM 1270 O GLY A 104 14.516 7.883 -5.196 1.00 1.07 O ATOM 0 H GLY A 104 12.271 8.813 -7.819 1.00 0.90 H new ATOM 0 HA2 GLY A 104 14.094 10.445 -6.306 1.00 0.97 H new ATOM 0 HA3 GLY A 104 12.383 10.188 -6.030 1.00 0.97 H new ATOM 1274 N ARG A 105 12.979 8.944 -3.935 1.00 0.88 N ATOM 1275 CA ARG A 105 13.240 8.122 -2.752 1.00 0.90 C ATOM 1276 C ARG A 105 12.338 6.885 -2.642 1.00 0.73 C ATOM 1277 O ARG A 105 12.835 5.768 -2.615 1.00 0.92 O ATOM 1278 CB ARG A 105 13.089 8.970 -1.488 1.00 1.06 C ATOM 1279 CG ARG A 105 14.119 10.083 -1.371 1.00 1.51 C ATOM 1280 CD ARG A 105 14.019 10.796 -0.031 1.00 1.92 C ATOM 1281 NE ARG A 105 15.048 11.820 0.124 1.00 2.44 N ATOM 1282 CZ ARG A 105 16.286 11.565 0.538 1.00 3.16 C ATOM 1283 NH1 ARG A 105 16.654 10.320 0.816 1.00 3.59 N ATOM 1284 NH2 ARG A 105 17.159 12.554 0.670 1.00 3.76 N ATOM 0 H ARG A 105 12.259 9.655 -3.808 1.00 0.88 H new ATOM 0 HA ARG A 105 14.261 7.756 -2.858 1.00 0.90 H new ATOM 0 HB2 ARG A 105 12.091 9.408 -1.472 1.00 1.06 H new ATOM 0 HB3 ARG A 105 13.167 8.322 -0.615 1.00 1.06 H new ATOM 0 HG2 ARG A 105 15.120 9.668 -1.490 1.00 1.51 H new ATOM 0 HG3 ARG A 105 13.974 10.801 -2.178 1.00 1.51 H new ATOM 0 HD2 ARG A 105 13.035 11.255 0.063 1.00 1.92 H new ATOM 0 HD3 ARG A 105 14.109 10.067 0.775 1.00 1.92 H new ATOM 0 HE ARG A 105 14.804 12.785 -0.098 1.00 2.44 H new ATOM 0 HH11 ARG A 105 15.987 9.556 0.712 1.00 3.59 H new ATOM 0 HH12 ARG A 105 17.604 10.128 1.133 1.00 3.59 H new ATOM 0 HH21 ARG A 105 16.881 13.511 0.454 1.00 3.76 H new ATOM 0 HH22 ARG A 105 18.108 12.357 0.988 1.00 3.76 H new ATOM 1298 N VAL A 106 11.021 7.090 -2.550 1.00 0.59 N ATOM 1299 CA VAL A 106 10.063 5.979 -2.399 1.00 0.62 C ATOM 1300 C VAL A 106 9.853 5.191 -3.688 1.00 0.67 C ATOM 1301 O VAL A 106 9.351 4.061 -3.670 1.00 0.70 O ATOM 1302 CB VAL A 106 8.692 6.471 -1.895 1.00 0.79 C ATOM 1303 CG1 VAL A 106 8.034 7.379 -2.918 1.00 1.42 C ATOM 1304 CG2 VAL A 106 7.794 5.288 -1.566 1.00 1.76 C ATOM 0 H VAL A 106 10.589 8.014 -2.577 1.00 0.59 H new ATOM 0 HA VAL A 106 10.513 5.316 -1.660 1.00 0.62 H new ATOM 0 HB VAL A 106 8.848 7.050 -0.985 1.00 0.79 H new ATOM 0 HG11 VAL A 106 7.068 7.713 -2.540 1.00 1.42 H new ATOM 0 HG12 VAL A 106 8.672 8.244 -3.100 1.00 1.42 H new ATOM 0 HG13 VAL A 106 7.889 6.832 -3.850 1.00 1.42 H new ATOM 0 HG21 VAL A 106 6.829 5.651 -1.211 1.00 1.76 H new ATOM 0 HG22 VAL A 106 7.647 4.683 -2.461 1.00 1.76 H new ATOM 0 HG23 VAL A 106 8.261 4.681 -0.790 1.00 1.76 H new ATOM 1314 N LYS A 107 10.211 5.798 -4.802 1.00 0.76 N ATOM 1315 CA LYS A 107 10.051 5.195 -6.100 1.00 0.89 C ATOM 1316 C LYS A 107 10.437 3.724 -6.137 1.00 0.75 C ATOM 1317 O LYS A 107 9.968 2.993 -6.990 1.00 0.76 O ATOM 1318 CB LYS A 107 10.952 5.935 -7.057 1.00 1.17 C ATOM 1319 CG LYS A 107 12.411 5.915 -6.627 1.00 1.89 C ATOM 1320 CD LYS A 107 13.173 4.766 -7.271 1.00 2.96 C ATOM 1321 CE LYS A 107 14.536 4.570 -6.627 1.00 3.87 C ATOM 1322 NZ LYS A 107 15.299 3.464 -7.269 1.00 4.87 N ATOM 0 H LYS A 107 10.624 6.730 -4.827 1.00 0.76 H new ATOM 0 HA LYS A 107 8.996 5.258 -6.366 1.00 0.89 H new ATOM 0 HB2 LYS A 107 10.864 5.491 -8.049 1.00 1.17 H new ATOM 0 HB3 LYS A 107 10.616 6.969 -7.139 1.00 1.17 H new ATOM 0 HG2 LYS A 107 12.882 6.860 -6.896 1.00 1.89 H new ATOM 0 HG3 LYS A 107 12.469 5.827 -5.542 1.00 1.89 H new ATOM 0 HD2 LYS A 107 12.592 3.848 -7.182 1.00 2.96 H new ATOM 0 HD3 LYS A 107 13.298 4.962 -8.336 1.00 2.96 H new ATOM 0 HE2 LYS A 107 15.108 5.495 -6.699 1.00 3.87 H new ATOM 0 HE3 LYS A 107 14.409 4.355 -5.566 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 16.222 3.362 -6.801 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 14.765 2.576 -7.179 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 15.443 3.680 -8.276 1.00 4.87 H new ATOM 1336 N ALA A 108 11.335 3.304 -5.260 1.00 0.77 N ATOM 1337 CA ALA A 108 11.808 1.922 -5.272 1.00 0.73 C ATOM 1338 C ALA A 108 10.696 0.891 -5.093 1.00 0.63 C ATOM 1339 O ALA A 108 10.456 0.080 -5.987 1.00 0.68 O ATOM 1340 CB ALA A 108 12.859 1.734 -4.211 1.00 0.85 C ATOM 0 H ALA A 108 11.750 3.891 -4.536 1.00 0.77 H new ATOM 0 HA ALA A 108 12.230 1.748 -6.262 1.00 0.73 H new ATOM 0 HB1 ALA A 108 13.209 0.702 -4.224 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.697 2.403 -4.406 1.00 0.85 H new ATOM 0 HB3 ALA A 108 12.434 1.961 -3.233 1.00 0.85 H new ATOM 1346 N LEU A 109 10.019 0.904 -3.948 1.00 0.70 N ATOM 1347 CA LEU A 109 8.952 -0.062 -3.714 1.00 0.80 C ATOM 1348 C LEU A 109 7.863 0.125 -4.757 1.00 0.66 C ATOM 1349 O LEU A 109 7.331 -0.842 -5.304 1.00 0.76 O ATOM 1350 CB LEU A 109 8.378 0.068 -2.303 1.00 1.05 C ATOM 1351 CG LEU A 109 7.407 -1.046 -1.899 1.00 1.76 C ATOM 1352 CD1 LEU A 109 6.048 -0.829 -2.540 1.00 2.64 C ATOM 1353 CD2 LEU A 109 7.965 -2.406 -2.286 1.00 2.27 C ATOM 0 H LEU A 109 10.185 1.558 -3.183 1.00 0.70 H new ATOM 0 HA LEU A 109 9.368 -1.066 -3.802 1.00 0.80 H new ATOM 0 HB2 LEU A 109 9.203 0.088 -1.591 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.864 1.026 -2.222 1.00 1.05 H new ATOM 0 HG LEU A 109 7.285 -1.018 -0.816 1.00 1.76 H new ATOM 0 HD11 LEU A 109 5.373 -1.630 -2.241 1.00 2.64 H new ATOM 0 HD12 LEU A 109 5.641 0.129 -2.215 1.00 2.64 H new ATOM 0 HD13 LEU A 109 6.153 -0.829 -3.625 1.00 2.64 H new ATOM 0 HD21 LEU A 109 7.262 -3.185 -1.991 1.00 2.27 H new ATOM 0 HD22 LEU A 109 8.117 -2.443 -3.365 1.00 2.27 H new ATOM 0 HD23 LEU A 109 8.917 -2.566 -1.780 1.00 2.27 H new ATOM 1365 N ALA A 110 7.574 1.381 -5.055 1.00 0.56 N ATOM 1366 CA ALA A 110 6.586 1.725 -6.066 1.00 0.60 C ATOM 1367 C ALA A 110 7.084 1.274 -7.442 1.00 0.59 C ATOM 1368 O ALA A 110 6.294 0.964 -8.334 1.00 0.70 O ATOM 1369 CB ALA A 110 6.344 3.223 -6.010 1.00 0.79 C ATOM 0 H ALA A 110 8.013 2.186 -4.607 1.00 0.56 H new ATOM 0 HA ALA A 110 5.641 1.215 -5.879 1.00 0.60 H new ATOM 0 HB1 ALA A 110 5.605 3.501 -6.762 1.00 0.79 H new ATOM 0 HB2 ALA A 110 5.975 3.495 -5.021 1.00 0.79 H new ATOM 0 HB3 ALA A 110 7.278 3.750 -6.207 1.00 0.79 H new ATOM 1375 N ASP A 111 8.410 1.204 -7.584 1.00 0.57 N ATOM 1376 CA ASP A 111 9.048 0.759 -8.813 1.00 0.59 C ATOM 1377 C ASP A 111 8.945 -0.754 -8.899 1.00 0.55 C ATOM 1378 O ASP A 111 8.724 -1.320 -9.965 1.00 0.56 O ATOM 1379 CB ASP A 111 10.521 1.182 -8.856 1.00 0.78 C ATOM 1380 CG ASP A 111 11.263 0.589 -10.040 1.00 0.84 C ATOM 1381 OD1 ASP A 111 11.248 1.212 -11.122 1.00 0.88 O ATOM 1382 OD2 ASP A 111 11.860 -0.497 -9.882 1.00 0.94 O ATOM 0 H ASP A 111 9.067 1.456 -6.846 1.00 0.57 H new ATOM 0 HA ASP A 111 8.542 1.221 -9.661 1.00 0.59 H new ATOM 0 HB2 ASP A 111 10.582 2.269 -8.901 1.00 0.78 H new ATOM 0 HB3 ASP A 111 11.011 0.873 -7.933 1.00 0.78 H new ATOM 1387 N ALA A 112 9.093 -1.395 -7.745 1.00 0.61 N ATOM 1388 CA ALA A 112 9.000 -2.840 -7.653 1.00 0.70 C ATOM 1389 C ALA A 112 7.648 -3.298 -8.176 1.00 0.67 C ATOM 1390 O ALA A 112 7.552 -4.252 -8.950 1.00 0.75 O ATOM 1391 CB ALA A 112 9.196 -3.281 -6.209 1.00 0.82 C ATOM 0 H ALA A 112 9.279 -0.929 -6.857 1.00 0.61 H new ATOM 0 HA ALA A 112 9.782 -3.295 -8.261 1.00 0.70 H new ATOM 0 HB1 ALA A 112 9.125 -4.367 -6.147 1.00 0.82 H new ATOM 0 HB2 ALA A 112 10.178 -2.961 -5.861 1.00 0.82 H new ATOM 0 HB3 ALA A 112 8.425 -2.831 -5.583 1.00 0.82 H new ATOM 1397 N ALA A 113 6.604 -2.592 -7.754 1.00 0.64 N ATOM 1398 CA ALA A 113 5.249 -2.900 -8.179 1.00 0.72 C ATOM 1399 C ALA A 113 5.032 -2.478 -9.619 1.00 0.67 C ATOM 1400 O ALA A 113 4.410 -3.195 -10.404 1.00 0.86 O ATOM 1401 CB ALA A 113 4.235 -2.207 -7.277 1.00 0.77 C ATOM 0 H ALA A 113 6.674 -1.800 -7.115 1.00 0.64 H new ATOM 0 HA ALA A 113 5.108 -3.978 -8.104 1.00 0.72 H new ATOM 0 HB1 ALA A 113 3.226 -2.449 -7.611 1.00 0.77 H new ATOM 0 HB2 ALA A 113 4.369 -2.547 -6.250 1.00 0.77 H new ATOM 0 HB3 ALA A 113 4.384 -1.128 -7.324 1.00 0.77 H new ATOM 1407 N ARG A 114 5.541 -1.303 -9.960 1.00 0.57 N ATOM 1408 CA ARG A 114 5.388 -0.785 -11.305 1.00 0.62 C ATOM 1409 C ARG A 114 6.164 -1.621 -12.307 1.00 0.65 C ATOM 1410 O ARG A 114 5.589 -2.188 -13.234 1.00 0.75 O ATOM 1411 CB ARG A 114 5.842 0.664 -11.381 1.00 0.69 C ATOM 1412 CG ARG A 114 5.524 1.330 -12.710 1.00 1.00 C ATOM 1413 CD ARG A 114 6.644 2.260 -13.148 1.00 1.56 C ATOM 1414 NE ARG A 114 7.915 1.554 -13.274 1.00 1.95 N ATOM 1415 CZ ARG A 114 8.972 2.046 -13.910 1.00 2.59 C ATOM 1416 NH1 ARG A 114 8.914 3.244 -14.474 1.00 3.23 N ATOM 1417 NH2 ARG A 114 10.093 1.340 -13.980 1.00 3.01 N ATOM 0 H ARG A 114 6.060 -0.696 -9.326 1.00 0.57 H new ATOM 0 HA ARG A 114 4.329 -0.837 -11.557 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.367 1.228 -10.578 1.00 0.69 H new ATOM 0 HB3 ARG A 114 6.917 0.709 -11.209 1.00 0.69 H new ATOM 0 HG2 ARG A 114 5.364 0.567 -13.472 1.00 1.00 H new ATOM 0 HG3 ARG A 114 4.595 1.893 -12.623 1.00 1.00 H new ATOM 0 HD2 ARG A 114 6.385 2.716 -14.103 1.00 1.56 H new ATOM 0 HD3 ARG A 114 6.748 3.070 -12.426 1.00 1.56 H new ATOM 0 HE ARG A 114 7.996 0.630 -12.849 1.00 1.95 H new ATOM 0 HH11 ARG A 114 8.055 3.792 -14.421 1.00 3.23 H new ATOM 0 HH12 ARG A 114 9.728 3.618 -14.961 1.00 3.23 H new ATOM 0 HH21 ARG A 114 10.143 0.419 -13.545 1.00 3.01 H new ATOM 0 HH22 ARG A 114 10.904 1.718 -14.469 1.00 3.01 H new ATOM 1431 N GLU A 115 7.475 -1.699 -12.113 1.00 0.63 N ATOM 1432 CA GLU A 115 8.330 -2.478 -12.995 1.00 0.71 C ATOM 1433 C GLU A 115 7.769 -3.891 -13.152 1.00 0.85 C ATOM 1434 O GLU A 115 7.905 -4.512 -14.206 1.00 1.02 O ATOM 1435 CB GLU A 115 9.763 -2.505 -12.448 1.00 0.67 C ATOM 1436 CG GLU A 115 10.644 -3.587 -13.057 1.00 1.21 C ATOM 1437 CD GLU A 115 12.005 -3.670 -12.393 1.00 1.83 C ATOM 1438 OE1 GLU A 115 12.902 -2.890 -12.777 1.00 1.97 O ATOM 1439 OE2 GLU A 115 12.174 -4.516 -11.489 1.00 2.59 O ATOM 0 H GLU A 115 7.968 -1.232 -11.352 1.00 0.63 H new ATOM 0 HA GLU A 115 8.354 -2.012 -13.980 1.00 0.71 H new ATOM 0 HB2 GLU A 115 10.225 -1.534 -12.624 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.725 -2.648 -11.368 1.00 0.67 H new ATOM 0 HG2 GLU A 115 10.142 -4.551 -12.971 1.00 1.21 H new ATOM 0 HG3 GLU A 115 10.774 -3.389 -14.121 1.00 1.21 H new ATOM 1446 N ALA A 116 7.111 -4.380 -12.101 1.00 0.84 N ATOM 1447 CA ALA A 116 6.501 -5.703 -12.132 1.00 1.03 C ATOM 1448 C ALA A 116 5.264 -5.695 -13.023 1.00 1.11 C ATOM 1449 O ALA A 116 4.863 -6.725 -13.565 1.00 1.28 O ATOM 1450 CB ALA A 116 6.139 -6.157 -10.722 1.00 1.08 C ATOM 0 H ALA A 116 6.989 -3.879 -11.221 1.00 0.84 H new ATOM 0 HA ALA A 116 7.222 -6.408 -12.546 1.00 1.03 H new ATOM 0 HB1 ALA A 116 5.685 -7.147 -10.764 1.00 1.08 H new ATOM 0 HB2 ALA A 116 7.040 -6.197 -10.110 1.00 1.08 H new ATOM 0 HB3 ALA A 116 5.433 -5.452 -10.283 1.00 1.08 H new ATOM 1456 N GLY A 117 4.666 -4.519 -13.159 1.00 1.01 N ATOM 1457 CA GLY A 117 3.476 -4.366 -13.967 1.00 1.09 C ATOM 1458 C GLY A 117 2.449 -3.537 -13.243 1.00 0.98 C ATOM 1459 O GLY A 117 1.566 -4.079 -12.589 1.00 1.07 O ATOM 0 H GLY A 117 4.991 -3.659 -12.717 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.732 -3.892 -14.915 1.00 1.09 H new ATOM 0 HA3 GLY A 117 3.061 -5.346 -14.202 1.00 1.09 H new ATOM 1463 N LEU A 118 2.585 -2.219 -13.321 1.00 0.99 N ATOM 1464 CA LEU A 118 1.675 -1.333 -12.605 1.00 1.08 C ATOM 1465 C LEU A 118 0.272 -1.338 -13.200 1.00 0.96 C ATOM 1466 O LEU A 118 -0.024 -0.630 -14.163 1.00 1.25 O ATOM 1467 CB LEU A 118 2.215 0.101 -12.600 1.00 1.61 C ATOM 1468 CG LEU A 118 1.896 0.916 -11.343 1.00 2.05 C ATOM 1469 CD1 LEU A 118 0.394 1.119 -11.227 1.00 2.65 C ATOM 1470 CD2 LEU A 118 2.455 0.245 -10.083 1.00 2.48 C ATOM 0 H LEU A 118 3.306 -1.745 -13.865 1.00 0.99 H new ATOM 0 HA LEU A 118 1.610 -1.710 -11.585 1.00 1.08 H new ATOM 0 HB2 LEU A 118 3.297 0.065 -12.724 1.00 1.61 H new ATOM 0 HB3 LEU A 118 1.812 0.627 -13.466 1.00 1.61 H new ATOM 0 HG LEU A 118 2.379 1.889 -11.433 1.00 2.05 H new ATOM 0 HD11 LEU A 118 0.173 1.699 -10.331 1.00 2.65 H new ATOM 0 HD12 LEU A 118 0.030 1.654 -12.104 1.00 2.65 H new ATOM 0 HD13 LEU A 118 -0.100 0.150 -11.162 1.00 2.65 H new ATOM 0 HD21 LEU A 118 2.211 0.850 -9.210 1.00 2.48 H new ATOM 0 HD22 LEU A 118 2.015 -0.746 -9.973 1.00 2.48 H new ATOM 0 HD23 LEU A 118 3.538 0.153 -10.169 1.00 2.48 H new ATOM 1482 N GLU A 119 -0.592 -2.127 -12.573 1.00 0.73 N ATOM 1483 CA GLU A 119 -1.990 -2.240 -12.960 1.00 0.78 C ATOM 1484 C GLU A 119 -2.849 -2.307 -11.699 1.00 0.72 C ATOM 1485 O GLU A 119 -2.764 -3.276 -10.946 1.00 0.66 O ATOM 1486 CB GLU A 119 -2.203 -3.486 -13.826 1.00 0.84 C ATOM 1487 CG GLU A 119 -3.662 -3.875 -13.995 1.00 1.48 C ATOM 1488 CD GLU A 119 -3.842 -5.099 -14.872 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -3.482 -6.208 -14.425 1.00 2.85 O ATOM 1490 OE2 GLU A 119 -4.345 -4.948 -16.006 1.00 2.56 O ATOM 0 H GLU A 119 -0.339 -2.710 -11.776 1.00 0.73 H new ATOM 0 HA GLU A 119 -2.280 -1.369 -13.548 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -1.767 -3.312 -14.810 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -1.663 -4.322 -13.382 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -4.099 -4.068 -13.015 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -4.209 -3.038 -14.429 1.00 1.48 H new ATOM 1497 N PHE A 120 -3.659 -1.284 -11.454 1.00 0.85 N ATOM 1498 CA PHE A 120 -4.490 -1.270 -10.255 1.00 0.91 C ATOM 1499 C PHE A 120 -5.405 -0.052 -10.225 1.00 1.15 C ATOM 1500 O PHE A 120 -5.790 0.372 -9.114 1.00 1.57 O ATOM 1501 CB PHE A 120 -3.586 -1.288 -9.029 1.00 0.78 C ATOM 1502 CG PHE A 120 -4.233 -1.783 -7.763 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -4.910 -3.001 -7.710 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.148 -1.016 -6.610 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -5.487 -3.426 -6.529 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -4.719 -1.444 -5.431 1.00 1.97 C ATOM 1507 CZ PHE A 120 -5.390 -2.650 -5.391 1.00 1.95 C ATOM 1508 OXT PHE A 120 -5.732 0.470 -11.312 1.00 1.71 O ATOM 0 H PHE A 120 -3.758 -0.467 -12.057 1.00 0.85 H new ATOM 0 HA PHE A 120 -5.129 -2.153 -10.258 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -2.720 -1.914 -9.245 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -3.214 -0.278 -8.857 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -4.984 -3.614 -8.596 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -3.627 -0.070 -6.637 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -6.015 -4.367 -6.496 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -4.642 -0.838 -4.541 1.00 1.97 H new ATOM 0 HZ PHE A 120 -5.840 -2.987 -4.469 1.00 1.95 H new TER 1518 PHE A 120