USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot -110:sc=-0.00145 USER MOD Set 1.2: A 37 GLN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 45:sc= 0.171 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.376 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-3.9e-05) USER MOD Single : A 22 ASN : amide:sc= -1.57! X(o=-1.6!,f=-1.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc=-0.000801 X(o=-0.0008,f=-0.0069) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 45 ASN : amide:sc= -2.79! C(o=-2.8!,f=-4.2!) USER MOD Single : A 46 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.72) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 171:sc=-0.00439 (180deg=-0.0881) USER MOD Single : A 59 GLN : amide:sc= -0.712 X(o=-0.71,f=-0.32) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.544 K(o=0.54,f=-0.15) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.154 -27.063 -5.058 1.00 3.34 N ATOM 2 CA LYS A 1 0.818 -25.649 -5.052 1.00 10.13 C ATOM 3 C LYS A 1 1.863 -24.878 -5.843 1.00 63.35 C ATOM 4 O LYS A 1 3.051 -24.952 -5.531 1.00 50.22 O ATOM 5 CB LYS A 1 0.752 -25.123 -3.612 1.00 63.31 C ATOM 6 CG LYS A 1 0.410 -23.637 -3.503 1.00 14.21 C ATOM 7 CD LYS A 1 0.382 -23.161 -2.056 1.00 52.43 C ATOM 8 CE LYS A 1 -0.694 -23.866 -1.245 1.00 44.45 C ATOM 9 NZ LYS A 1 -0.723 -23.411 0.158 1.00 75.45 N ATOM 0 H1 LYS A 1 0.440 -27.592 -4.517 1.00 3.34 H new ATOM 0 H2 LYS A 1 1.174 -27.411 -6.038 1.00 3.34 H new ATOM 0 H3 LYS A 1 2.089 -27.200 -4.623 1.00 3.34 H new ATOM 0 HA LYS A 1 -0.159 -25.512 -5.514 1.00 10.13 H new ATOM 0 HB2 LYS A 1 0.007 -25.697 -3.061 1.00 63.31 H new ATOM 0 HB3 LYS A 1 1.713 -25.300 -3.128 1.00 63.31 H new ATOM 0 HG2 LYS A 1 1.143 -23.055 -4.062 1.00 14.21 H new ATOM 0 HG3 LYS A 1 -0.561 -23.454 -3.963 1.00 14.21 H new ATOM 0 HD2 LYS A 1 1.355 -23.337 -1.598 1.00 52.43 H new ATOM 0 HD3 LYS A 1 0.208 -22.085 -2.032 1.00 52.43 H new ATOM 0 HE2 LYS A 1 -1.667 -23.688 -1.703 1.00 44.45 H new ATOM 0 HE3 LYS A 1 -0.521 -24.942 -1.273 1.00 44.45 H new ATOM 0 HZ1 LYS A 1 -1.471 -23.918 0.672 1.00 75.45 H new ATOM 0 HZ2 LYS A 1 0.196 -23.604 0.605 1.00 75.45 H new ATOM 0 HZ3 LYS A 1 -0.914 -22.389 0.188 1.00 75.45 H new ATOM 23 N PRO A 2 1.446 -24.142 -6.881 1.00 11.02 N ATOM 24 CA PRO A 2 2.366 -23.358 -7.698 1.00 11.24 C ATOM 25 C PRO A 2 2.839 -22.111 -6.951 1.00 31.10 C ATOM 26 O PRO A 2 2.174 -21.656 -5.999 1.00 13.00 O ATOM 27 CB PRO A 2 1.509 -22.955 -8.907 1.00 45.12 C ATOM 28 CG PRO A 2 0.117 -22.919 -8.380 1.00 45.13 C ATOM 29 CD PRO A 2 0.042 -24.006 -7.342 1.00 20.22 C ATOM 0 HA PRO A 2 3.266 -23.912 -7.966 1.00 11.24 H new ATOM 0 HB2 PRO A 2 1.810 -21.984 -9.301 1.00 45.12 H new ATOM 0 HB3 PRO A 2 1.607 -23.674 -9.721 1.00 45.12 H new ATOM 0 HG2 PRO A 2 -0.111 -21.946 -7.944 1.00 45.13 H new ATOM 0 HG3 PRO A 2 -0.607 -23.089 -9.177 1.00 45.13 H new ATOM 0 HD2 PRO A 2 -0.625 -23.734 -6.524 1.00 20.22 H new ATOM 0 HD3 PRO A 2 -0.334 -24.938 -7.763 1.00 20.22 H new ATOM 37 N VAL A 3 3.980 -21.567 -7.356 1.00 71.50 N ATOM 38 CA VAL A 3 4.493 -20.344 -6.755 1.00 11.23 C ATOM 39 C VAL A 3 3.509 -19.198 -6.972 1.00 31.45 C ATOM 40 O VAL A 3 3.188 -18.442 -6.043 1.00 4.42 O ATOM 41 CB VAL A 3 5.922 -19.965 -7.277 1.00 72.14 C ATOM 42 CG1 VAL A 3 5.964 -19.794 -8.794 1.00 11.13 C ATOM 43 CG2 VAL A 3 6.439 -18.720 -6.583 1.00 71.23 C ATOM 0 H VAL A 3 4.566 -21.953 -8.096 1.00 71.50 H new ATOM 0 HA VAL A 3 4.596 -20.528 -5.686 1.00 11.23 H new ATOM 0 HB VAL A 3 6.578 -20.800 -7.032 1.00 72.14 H new ATOM 0 HG11 VAL A 3 6.976 -19.532 -9.103 1.00 11.13 H new ATOM 0 HG12 VAL A 3 5.668 -20.727 -9.274 1.00 11.13 H new ATOM 0 HG13 VAL A 3 5.278 -19.001 -9.090 1.00 11.13 H new ATOM 0 HG21 VAL A 3 7.432 -18.478 -6.962 1.00 71.23 H new ATOM 0 HG22 VAL A 3 5.763 -17.888 -6.778 1.00 71.23 H new ATOM 0 HG23 VAL A 3 6.495 -18.899 -5.509 1.00 71.23 H new ATOM 53 N SER A 4 3.014 -19.103 -8.168 1.00 23.55 N ATOM 54 CA SER A 4 2.046 -18.139 -8.509 1.00 22.01 C ATOM 55 C SER A 4 0.662 -18.761 -8.417 1.00 65.31 C ATOM 56 O SER A 4 0.203 -19.449 -9.334 1.00 41.13 O ATOM 57 CB SER A 4 2.350 -17.563 -9.898 1.00 14.41 C ATOM 58 OG SER A 4 2.542 -18.604 -10.866 1.00 71.40 O ATOM 0 H SER A 4 3.285 -19.711 -8.941 1.00 23.55 H new ATOM 0 HA SER A 4 2.075 -17.304 -7.809 1.00 22.01 H new ATOM 0 HB2 SER A 4 1.530 -16.918 -10.213 1.00 14.41 H new ATOM 0 HB3 SER A 4 3.244 -16.941 -9.848 1.00 14.41 H new ATOM 0 HG SER A 4 1.845 -19.284 -10.757 1.00 71.40 H new ATOM 64 N LEU A 5 0.034 -18.581 -7.291 1.00 13.50 N ATOM 65 CA LEU A 5 -1.257 -19.156 -7.052 1.00 2.03 C ATOM 66 C LEU A 5 -2.293 -18.125 -7.479 1.00 0.23 C ATOM 67 O LEU A 5 -2.167 -16.949 -7.152 1.00 4.14 O ATOM 68 CB LEU A 5 -1.363 -19.539 -5.550 1.00 14.43 C ATOM 69 CG LEU A 5 -2.485 -20.511 -5.105 1.00 73.52 C ATOM 70 CD1 LEU A 5 -2.284 -20.890 -3.657 1.00 51.05 C ATOM 71 CD2 LEU A 5 -3.869 -19.921 -5.272 1.00 74.25 C ATOM 0 H LEU A 5 0.402 -18.032 -6.514 1.00 13.50 H new ATOM 0 HA LEU A 5 -1.424 -20.070 -7.623 1.00 2.03 H new ATOM 0 HB2 LEU A 5 -0.410 -19.977 -5.253 1.00 14.43 H new ATOM 0 HB3 LEU A 5 -1.481 -18.616 -4.982 1.00 14.43 H new ATOM 0 HG LEU A 5 -2.419 -21.389 -5.748 1.00 73.52 H new ATOM 0 HD11 LEU A 5 -3.074 -21.574 -3.347 1.00 51.05 H new ATOM 0 HD12 LEU A 5 -1.316 -21.377 -3.539 1.00 51.05 H new ATOM 0 HD13 LEU A 5 -2.316 -19.993 -3.038 1.00 51.05 H new ATOM 0 HD21 LEU A 5 -4.615 -20.645 -4.945 1.00 74.25 H new ATOM 0 HD22 LEU A 5 -3.954 -19.016 -4.671 1.00 74.25 H new ATOM 0 HD23 LEU A 5 -4.036 -19.676 -6.321 1.00 74.25 H new ATOM 83 N SER A 6 -3.272 -18.559 -8.226 1.00 45.54 N ATOM 84 CA SER A 6 -4.273 -17.681 -8.789 1.00 0.24 C ATOM 85 C SER A 6 -5.250 -17.178 -7.716 1.00 2.40 C ATOM 86 O SER A 6 -5.735 -17.949 -6.888 1.00 53.21 O ATOM 87 CB SER A 6 -5.023 -18.414 -9.911 1.00 72.23 C ATOM 88 OG SER A 6 -5.952 -17.567 -10.578 1.00 53.33 O ATOM 0 H SER A 6 -3.402 -19.542 -8.466 1.00 45.54 H new ATOM 0 HA SER A 6 -3.773 -16.805 -9.203 1.00 0.24 H new ATOM 0 HB2 SER A 6 -4.304 -18.802 -10.633 1.00 72.23 H new ATOM 0 HB3 SER A 6 -5.550 -19.272 -9.493 1.00 72.23 H new ATOM 0 HG SER A 6 -6.406 -18.072 -11.285 1.00 53.33 H new ATOM 94 N TYR A 7 -5.507 -15.890 -7.729 1.00 61.22 N ATOM 95 CA TYR A 7 -6.448 -15.261 -6.835 1.00 14.01 C ATOM 96 C TYR A 7 -7.217 -14.219 -7.608 1.00 21.30 C ATOM 97 O TYR A 7 -6.789 -13.819 -8.701 1.00 44.55 O ATOM 98 CB TYR A 7 -5.740 -14.575 -5.666 1.00 71.43 C ATOM 99 CG TYR A 7 -5.030 -15.485 -4.697 1.00 14.31 C ATOM 100 CD1 TYR A 7 -5.747 -16.286 -3.822 1.00 23.35 C ATOM 101 CD2 TYR A 7 -3.646 -15.541 -4.653 1.00 54.42 C ATOM 102 CE1 TYR A 7 -5.107 -17.116 -2.930 1.00 60.40 C ATOM 103 CE2 TYR A 7 -2.998 -16.367 -3.764 1.00 62.40 C ATOM 104 CZ TYR A 7 -3.733 -17.152 -2.906 1.00 72.11 C ATOM 105 OH TYR A 7 -3.086 -17.984 -2.019 1.00 71.12 O ATOM 0 H TYR A 7 -5.059 -15.239 -8.374 1.00 61.22 H new ATOM 0 HA TYR A 7 -7.109 -16.029 -6.433 1.00 14.01 H new ATOM 0 HB2 TYR A 7 -5.014 -13.870 -6.070 1.00 71.43 H new ATOM 0 HB3 TYR A 7 -6.476 -13.992 -5.113 1.00 71.43 H new ATOM 0 HD1 TYR A 7 -6.826 -16.258 -3.841 1.00 23.35 H new ATOM 0 HD2 TYR A 7 -3.067 -14.927 -5.327 1.00 54.42 H new ATOM 0 HE1 TYR A 7 -5.680 -17.734 -2.254 1.00 60.40 H new ATOM 0 HE2 TYR A 7 -1.919 -16.399 -3.740 1.00 62.40 H new ATOM 0 HH TYR A 7 -2.117 -17.891 -2.131 1.00 71.12 H new ATOM 115 N ARG A 8 -8.334 -13.760 -7.064 1.00 51.53 N ATOM 116 CA ARG A 8 -9.091 -12.716 -7.733 1.00 5.15 C ATOM 117 C ARG A 8 -8.524 -11.380 -7.329 1.00 70.34 C ATOM 118 O ARG A 8 -8.573 -10.408 -8.089 1.00 52.22 O ATOM 119 CB ARG A 8 -10.588 -12.767 -7.412 1.00 14.13 C ATOM 120 CG ARG A 8 -10.937 -12.473 -5.967 1.00 22.15 C ATOM 121 CD ARG A 8 -12.434 -12.455 -5.752 1.00 40.51 C ATOM 122 NE ARG A 8 -12.790 -12.146 -4.369 1.00 30.53 N ATOM 123 CZ ARG A 8 -14.041 -12.010 -3.907 1.00 34.20 C ATOM 124 NH1 ARG A 8 -15.082 -12.173 -4.728 1.00 41.22 N ATOM 125 NH2 ARG A 8 -14.243 -11.713 -2.627 1.00 55.14 N ATOM 0 H ARG A 8 -8.729 -14.085 -6.182 1.00 51.53 H new ATOM 0 HA ARG A 8 -9.000 -12.871 -8.808 1.00 5.15 H new ATOM 0 HB2 ARG A 8 -11.107 -12.051 -8.050 1.00 14.13 H new ATOM 0 HB3 ARG A 8 -10.967 -13.756 -7.669 1.00 14.13 H new ATOM 0 HG2 ARG A 8 -10.485 -13.226 -5.322 1.00 22.15 H new ATOM 0 HG3 ARG A 8 -10.515 -11.510 -5.678 1.00 22.15 H new ATOM 0 HD2 ARG A 8 -12.886 -11.717 -6.415 1.00 40.51 H new ATOM 0 HD3 ARG A 8 -12.850 -13.425 -6.024 1.00 40.51 H new ATOM 0 HE ARG A 8 -12.027 -12.024 -3.703 1.00 30.53 H new ATOM 0 HH11 ARG A 8 -14.926 -12.402 -5.710 1.00 41.22 H new ATOM 0 HH12 ARG A 8 -16.033 -12.069 -4.373 1.00 41.22 H new ATOM 0 HH21 ARG A 8 -13.448 -11.589 -2.000 1.00 55.14 H new ATOM 0 HH22 ARG A 8 -15.193 -11.609 -2.272 1.00 55.14 H new ATOM 139 N CYS A 9 -7.985 -11.338 -6.140 1.00 64.43 N ATOM 140 CA CYS A 9 -7.376 -10.161 -5.647 1.00 14.13 C ATOM 141 C CYS A 9 -5.885 -10.441 -5.498 1.00 72.03 C ATOM 142 O CYS A 9 -5.503 -11.512 -5.040 1.00 51.02 O ATOM 143 CB CYS A 9 -7.976 -9.789 -4.283 1.00 3.24 C ATOM 144 SG CYS A 9 -9.806 -9.682 -4.233 1.00 42.25 S ATOM 0 H CYS A 9 -7.963 -12.128 -5.495 1.00 64.43 H new ATOM 0 HA CYS A 9 -7.544 -9.330 -6.332 1.00 14.13 H new ATOM 0 HB2 CYS A 9 -7.652 -10.527 -3.549 1.00 3.24 H new ATOM 0 HB3 CYS A 9 -7.564 -8.829 -3.973 1.00 3.24 H new ATOM 149 N PRO A 10 -5.038 -9.498 -5.910 1.00 71.14 N ATOM 150 CA PRO A 10 -3.557 -9.595 -5.818 1.00 71.11 C ATOM 151 C PRO A 10 -3.006 -10.010 -4.429 1.00 24.45 C ATOM 152 O PRO A 10 -1.892 -10.551 -4.330 1.00 2.23 O ATOM 153 CB PRO A 10 -3.115 -8.176 -6.170 1.00 42.04 C ATOM 154 CG PRO A 10 -4.161 -7.701 -7.101 1.00 34.40 C ATOM 155 CD PRO A 10 -5.452 -8.267 -6.593 1.00 65.43 C ATOM 0 HA PRO A 10 -3.177 -10.381 -6.471 1.00 71.11 H new ATOM 0 HB2 PRO A 10 -3.052 -7.545 -5.283 1.00 42.04 H new ATOM 0 HB3 PRO A 10 -2.130 -8.168 -6.637 1.00 42.04 H new ATOM 0 HG2 PRO A 10 -4.195 -6.612 -7.127 1.00 34.40 H new ATOM 0 HG3 PRO A 10 -3.960 -8.038 -8.118 1.00 34.40 H new ATOM 0 HD2 PRO A 10 -5.952 -7.578 -5.912 1.00 65.43 H new ATOM 0 HD3 PRO A 10 -6.148 -8.473 -7.406 1.00 65.43 H new ATOM 163 N CYS A 11 -3.754 -9.754 -3.381 1.00 23.23 N ATOM 164 CA CYS A 11 -3.329 -10.124 -2.040 1.00 1.23 C ATOM 165 C CYS A 11 -4.440 -10.789 -1.262 1.00 62.12 C ATOM 166 O CYS A 11 -5.608 -10.401 -1.371 1.00 20.40 O ATOM 167 CB CYS A 11 -2.826 -8.911 -1.255 1.00 34.41 C ATOM 168 SG CYS A 11 -1.315 -8.144 -1.909 1.00 20.31 S ATOM 0 H CYS A 11 -4.662 -9.291 -3.425 1.00 23.23 H new ATOM 0 HA CYS A 11 -2.511 -10.834 -2.164 1.00 1.23 H new ATOM 0 HB2 CYS A 11 -3.616 -8.160 -1.231 1.00 34.41 H new ATOM 0 HB3 CYS A 11 -2.644 -9.215 -0.224 1.00 34.41 H new ATOM 173 N ARG A 12 -4.079 -11.804 -0.495 1.00 34.20 N ATOM 174 CA ARG A 12 -5.008 -12.456 0.396 1.00 51.55 C ATOM 175 C ARG A 12 -5.048 -11.662 1.684 1.00 35.35 C ATOM 176 O ARG A 12 -6.094 -11.189 2.118 1.00 42.42 O ATOM 177 CB ARG A 12 -4.545 -13.877 0.735 1.00 71.55 C ATOM 178 CG ARG A 12 -5.541 -14.625 1.606 1.00 33.23 C ATOM 179 CD ARG A 12 -4.964 -15.894 2.199 1.00 55.24 C ATOM 180 NE ARG A 12 -4.444 -16.843 1.206 1.00 74.12 N ATOM 181 CZ ARG A 12 -4.685 -18.164 1.229 1.00 74.53 C ATOM 182 NH1 ARG A 12 -5.615 -18.666 2.044 1.00 63.31 N ATOM 183 NH2 ARG A 12 -4.020 -18.969 0.418 1.00 71.32 N ATOM 0 H ARG A 12 -3.137 -12.194 -0.476 1.00 34.20 H new ATOM 0 HA ARG A 12 -5.984 -12.508 -0.087 1.00 51.55 H new ATOM 0 HB2 ARG A 12 -4.386 -14.433 -0.189 1.00 71.55 H new ATOM 0 HB3 ARG A 12 -3.584 -13.829 1.247 1.00 71.55 H new ATOM 0 HG2 ARG A 12 -5.875 -13.972 2.412 1.00 33.23 H new ATOM 0 HG3 ARG A 12 -6.421 -14.874 1.013 1.00 33.23 H new ATOM 0 HD2 ARG A 12 -4.160 -15.628 2.885 1.00 55.24 H new ATOM 0 HD3 ARG A 12 -5.736 -16.389 2.788 1.00 55.24 H new ATOM 0 HE ARG A 12 -3.864 -16.476 0.452 1.00 74.12 H new ATOM 0 HH11 ARG A 12 -6.147 -18.045 2.654 1.00 63.31 H new ATOM 0 HH12 ARG A 12 -5.793 -19.670 2.057 1.00 63.31 H new ATOM 0 HH21 ARG A 12 -3.325 -18.586 -0.224 1.00 71.32 H new ATOM 0 HH22 ARG A 12 -4.202 -19.973 0.434 1.00 71.32 H new ATOM 197 N PHE A 13 -3.882 -11.503 2.268 1.00 63.55 N ATOM 198 CA PHE A 13 -3.718 -10.824 3.530 1.00 4.31 C ATOM 199 C PHE A 13 -2.777 -9.647 3.363 1.00 2.20 C ATOM 200 O PHE A 13 -2.103 -9.524 2.336 1.00 63.33 O ATOM 201 CB PHE A 13 -3.174 -11.799 4.604 1.00 21.32 C ATOM 202 CG PHE A 13 -1.828 -12.418 4.267 1.00 64.32 C ATOM 203 CD1 PHE A 13 -1.750 -13.590 3.531 1.00 22.04 C ATOM 204 CD2 PHE A 13 -0.643 -11.821 4.690 1.00 71.12 C ATOM 205 CE1 PHE A 13 -0.528 -14.154 3.221 1.00 64.12 C ATOM 206 CE2 PHE A 13 0.580 -12.380 4.380 1.00 1.53 C ATOM 207 CZ PHE A 13 0.639 -13.548 3.645 1.00 64.45 C ATOM 0 H PHE A 13 -3.008 -11.848 1.872 1.00 63.55 H new ATOM 0 HA PHE A 13 -4.690 -10.457 3.860 1.00 4.31 H new ATOM 0 HB2 PHE A 13 -3.088 -11.266 5.551 1.00 21.32 H new ATOM 0 HB3 PHE A 13 -3.900 -12.598 4.753 1.00 21.32 H new ATOM 0 HD1 PHE A 13 -2.658 -14.069 3.195 1.00 22.04 H new ATOM 0 HD2 PHE A 13 -0.682 -10.909 5.268 1.00 71.12 H new ATOM 0 HE1 PHE A 13 -0.485 -15.068 2.648 1.00 64.12 H new ATOM 0 HE2 PHE A 13 1.491 -11.904 4.712 1.00 1.53 H new ATOM 0 HZ PHE A 13 1.596 -13.987 3.402 1.00 64.45 H new ATOM 217 N PHE A 14 -2.742 -8.797 4.352 1.00 32.45 N ATOM 218 CA PHE A 14 -1.902 -7.619 4.356 1.00 35.42 C ATOM 219 C PHE A 14 -1.230 -7.525 5.708 1.00 13.45 C ATOM 220 O PHE A 14 -1.814 -7.940 6.724 1.00 72.12 O ATOM 221 CB PHE A 14 -2.764 -6.369 4.187 1.00 70.34 C ATOM 222 CG PHE A 14 -3.712 -6.370 3.019 1.00 53.24 C ATOM 223 CD1 PHE A 14 -3.302 -5.956 1.773 1.00 31.13 C ATOM 224 CD2 PHE A 14 -5.026 -6.776 3.185 1.00 72.41 C ATOM 225 CE1 PHE A 14 -4.176 -5.945 0.710 1.00 34.01 C ATOM 226 CE2 PHE A 14 -5.907 -6.772 2.131 1.00 62.43 C ATOM 227 CZ PHE A 14 -5.485 -6.355 0.888 1.00 42.24 C ATOM 0 H PHE A 14 -3.305 -8.901 5.196 1.00 32.45 H new ATOM 0 HA PHE A 14 -1.175 -7.688 3.547 1.00 35.42 H new ATOM 0 HB2 PHE A 14 -3.344 -6.227 5.099 1.00 70.34 H new ATOM 0 HB3 PHE A 14 -2.103 -5.507 4.092 1.00 70.34 H new ATOM 0 HD1 PHE A 14 -2.281 -5.635 1.627 1.00 31.13 H new ATOM 0 HD2 PHE A 14 -5.363 -7.101 4.158 1.00 72.41 H new ATOM 0 HE1 PHE A 14 -3.840 -5.616 -0.262 1.00 34.01 H new ATOM 0 HE2 PHE A 14 -6.927 -7.095 2.277 1.00 62.43 H new ATOM 0 HZ PHE A 14 -6.173 -6.348 0.056 1.00 42.24 H new ATOM 237 N GLU A 15 -0.037 -6.995 5.737 1.00 11.40 N ATOM 238 CA GLU A 15 0.643 -6.739 6.973 1.00 63.52 C ATOM 239 C GLU A 15 -0.023 -5.564 7.632 1.00 1.04 C ATOM 240 O GLU A 15 -0.243 -4.525 7.000 1.00 52.25 O ATOM 241 CB GLU A 15 2.116 -6.421 6.738 1.00 41.43 C ATOM 242 CG GLU A 15 2.945 -7.558 6.214 1.00 41.12 C ATOM 243 CD GLU A 15 3.109 -8.680 7.211 1.00 54.42 C ATOM 244 OE1 GLU A 15 4.038 -8.608 8.053 1.00 63.42 O ATOM 245 OE2 GLU A 15 2.337 -9.646 7.170 1.00 63.43 O ATOM 0 H GLU A 15 0.489 -6.730 4.904 1.00 11.40 H new ATOM 0 HA GLU A 15 0.590 -7.626 7.604 1.00 63.52 H new ATOM 0 HB2 GLU A 15 2.183 -5.591 6.035 1.00 41.43 H new ATOM 0 HB3 GLU A 15 2.551 -6.079 7.677 1.00 41.43 H new ATOM 0 HG2 GLU A 15 2.482 -7.950 5.308 1.00 41.12 H new ATOM 0 HG3 GLU A 15 3.929 -7.183 5.933 1.00 41.12 H new ATOM 252 N SER A 16 -0.366 -5.727 8.855 1.00 24.24 N ATOM 253 CA SER A 16 -1.014 -4.679 9.596 1.00 31.12 C ATOM 254 C SER A 16 -0.011 -4.013 10.530 1.00 62.43 C ATOM 255 O SER A 16 -0.349 -3.146 11.330 1.00 21.21 O ATOM 256 CB SER A 16 -2.218 -5.241 10.333 1.00 71.23 C ATOM 257 OG SER A 16 -3.101 -5.856 9.388 1.00 34.40 O ATOM 0 H SER A 16 -0.211 -6.586 9.383 1.00 24.24 H new ATOM 0 HA SER A 16 -1.382 -3.909 8.918 1.00 31.12 H new ATOM 0 HB2 SER A 16 -1.897 -5.970 11.077 1.00 71.23 H new ATOM 0 HB3 SER A 16 -2.736 -4.446 10.869 1.00 71.23 H new ATOM 0 HG SER A 16 -3.879 -6.222 9.858 1.00 34.40 H new ATOM 263 N HIS A 17 1.218 -4.438 10.411 1.00 53.35 N ATOM 264 CA HIS A 17 2.325 -3.857 11.108 1.00 12.20 C ATOM 265 C HIS A 17 3.460 -3.699 10.120 1.00 51.43 C ATOM 266 O HIS A 17 4.158 -4.662 9.794 1.00 52.21 O ATOM 267 CB HIS A 17 2.753 -4.721 12.302 1.00 62.12 C ATOM 268 CG HIS A 17 3.868 -4.120 13.091 1.00 54.50 C ATOM 269 ND1 HIS A 17 5.168 -4.540 12.990 1.00 1.33 N ATOM 270 CD2 HIS A 17 3.868 -3.114 13.995 1.00 35.02 C ATOM 271 CE1 HIS A 17 5.917 -3.821 13.789 1.00 60.12 C ATOM 272 NE2 HIS A 17 5.155 -2.949 14.413 1.00 71.13 N ATOM 0 H HIS A 17 1.480 -5.219 9.810 1.00 53.35 H new ATOM 0 HA HIS A 17 2.038 -2.887 11.514 1.00 12.20 H new ATOM 0 HB2 HIS A 17 1.895 -4.876 12.957 1.00 62.12 H new ATOM 0 HB3 HIS A 17 3.060 -5.703 11.941 1.00 62.12 H new ATOM 0 HD2 HIS A 17 3.009 -2.548 14.324 1.00 35.02 H new ATOM 0 HE1 HIS A 17 6.984 -3.927 13.915 1.00 60.12 H new ATOM 0 HE2 HIS A 17 5.474 -2.263 15.097 1.00 71.13 H new ATOM 281 N VAL A 18 3.604 -2.506 9.598 1.00 72.51 N ATOM 282 CA VAL A 18 4.618 -2.214 8.605 1.00 32.44 C ATOM 283 C VAL A 18 5.276 -0.882 8.956 1.00 0.23 C ATOM 284 O VAL A 18 4.648 -0.034 9.603 1.00 43.54 O ATOM 285 CB VAL A 18 4.012 -2.110 7.166 1.00 55.40 C ATOM 286 CG1 VAL A 18 5.101 -1.981 6.110 1.00 22.10 C ATOM 287 CG2 VAL A 18 3.114 -3.281 6.843 1.00 23.04 C ATOM 0 H VAL A 18 3.022 -1.706 9.848 1.00 72.51 H new ATOM 0 HA VAL A 18 5.342 -3.028 8.610 1.00 32.44 H new ATOM 0 HB VAL A 18 3.405 -1.205 7.152 1.00 55.40 H new ATOM 0 HG11 VAL A 18 4.644 -1.911 5.123 1.00 22.10 H new ATOM 0 HG12 VAL A 18 5.689 -1.084 6.302 1.00 22.10 H new ATOM 0 HG13 VAL A 18 5.750 -2.856 6.148 1.00 22.10 H new ATOM 0 HG21 VAL A 18 2.716 -3.167 5.835 1.00 23.04 H new ATOM 0 HG22 VAL A 18 3.687 -4.206 6.904 1.00 23.04 H new ATOM 0 HG23 VAL A 18 2.291 -3.316 7.557 1.00 23.04 H new ATOM 297 N ALA A 19 6.519 -0.710 8.560 1.00 24.43 N ATOM 298 CA ALA A 19 7.242 0.514 8.803 1.00 51.51 C ATOM 299 C ALA A 19 7.541 1.234 7.482 1.00 15.44 C ATOM 300 O ALA A 19 7.963 0.608 6.501 1.00 15.12 O ATOM 301 CB ALA A 19 8.526 0.213 9.549 1.00 23.25 C ATOM 0 H ALA A 19 7.056 -1.419 8.059 1.00 24.43 H new ATOM 0 HA ALA A 19 6.626 1.172 9.415 1.00 51.51 H new ATOM 0 HB1 ALA A 19 9.068 1.141 9.730 1.00 23.25 H new ATOM 0 HB2 ALA A 19 8.291 -0.261 10.502 1.00 23.25 H new ATOM 0 HB3 ALA A 19 9.144 -0.458 8.953 1.00 23.25 H new ATOM 307 N ARG A 20 7.342 2.542 7.479 1.00 70.25 N ATOM 308 CA ARG A 20 7.564 3.404 6.301 1.00 33.40 C ATOM 309 C ARG A 20 9.052 3.446 5.933 1.00 13.52 C ATOM 310 O ARG A 20 9.416 3.529 4.759 1.00 42.14 O ATOM 311 CB ARG A 20 7.046 4.823 6.620 1.00 42.42 C ATOM 312 CG ARG A 20 7.214 5.892 5.526 1.00 72.52 C ATOM 313 CD ARG A 20 6.499 5.532 4.231 1.00 11.23 C ATOM 314 NE ARG A 20 6.480 6.663 3.296 1.00 34.22 N ATOM 315 CZ ARG A 20 6.394 6.581 1.968 1.00 44.00 C ATOM 316 NH1 ARG A 20 6.395 5.391 1.363 1.00 34.11 N ATOM 317 NH2 ARG A 20 6.309 7.693 1.246 1.00 52.01 N ATOM 0 H ARG A 20 7.017 3.054 8.299 1.00 70.25 H new ATOM 0 HA ARG A 20 7.022 2.999 5.446 1.00 33.40 H new ATOM 0 HB2 ARG A 20 5.986 4.750 6.862 1.00 42.42 H new ATOM 0 HB3 ARG A 20 7.554 5.175 7.518 1.00 42.42 H new ATOM 0 HG2 ARG A 20 6.831 6.844 5.894 1.00 72.52 H new ATOM 0 HG3 ARG A 20 8.276 6.032 5.322 1.00 72.52 H new ATOM 0 HD2 ARG A 20 6.995 4.681 3.764 1.00 11.23 H new ATOM 0 HD3 ARG A 20 5.477 5.224 4.452 1.00 11.23 H new ATOM 0 HE ARG A 20 6.538 7.598 3.699 1.00 34.22 H new ATOM 0 HH11 ARG A 20 6.462 4.537 1.917 1.00 34.11 H new ATOM 0 HH12 ARG A 20 6.329 5.336 0.347 1.00 34.11 H new ATOM 0 HH21 ARG A 20 6.310 8.602 1.708 1.00 52.01 H new ATOM 0 HH22 ARG A 20 6.243 7.637 0.230 1.00 52.01 H new ATOM 331 N ALA A 21 9.891 3.385 6.939 1.00 23.32 N ATOM 332 CA ALA A 21 11.329 3.412 6.754 1.00 75.22 C ATOM 333 C ALA A 21 11.886 2.026 6.419 1.00 44.42 C ATOM 334 O ALA A 21 13.055 1.893 6.064 1.00 42.33 O ATOM 335 CB ALA A 21 12.008 3.972 7.993 1.00 74.45 C ATOM 0 H ALA A 21 9.599 3.315 7.914 1.00 23.32 H new ATOM 0 HA ALA A 21 11.541 4.063 5.906 1.00 75.22 H new ATOM 0 HB1 ALA A 21 13.087 3.987 7.841 1.00 74.45 H new ATOM 0 HB2 ALA A 21 11.653 4.986 8.175 1.00 74.45 H new ATOM 0 HB3 ALA A 21 11.771 3.345 8.853 1.00 74.45 H new ATOM 341 N ASN A 22 11.062 1.003 6.535 1.00 60.10 N ATOM 342 CA ASN A 22 11.530 -0.361 6.285 1.00 44.23 C ATOM 343 C ASN A 22 11.289 -0.751 4.838 1.00 33.32 C ATOM 344 O ASN A 22 12.019 -1.559 4.275 1.00 12.33 O ATOM 345 CB ASN A 22 10.845 -1.370 7.215 1.00 33.13 C ATOM 346 CG ASN A 22 11.404 -2.781 7.082 1.00 60.11 C ATOM 347 OD1 ASN A 22 12.581 -2.980 6.798 1.00 51.44 O ATOM 348 ND2 ASN A 22 10.571 -3.759 7.277 1.00 10.13 N ATOM 0 H ASN A 22 10.079 1.079 6.796 1.00 60.10 H new ATOM 0 HA ASN A 22 12.601 -0.381 6.489 1.00 44.23 H new ATOM 0 HB2 ASN A 22 10.956 -1.037 8.247 1.00 33.13 H new ATOM 0 HB3 ASN A 22 9.777 -1.387 6.999 1.00 33.13 H new ATOM 0 HD21 ASN A 22 10.890 -4.724 7.195 1.00 10.13 H new ATOM 0 HD22 ASN A 22 9.598 -3.561 7.512 1.00 10.13 H new ATOM 355 N VAL A 23 10.267 -0.182 4.240 1.00 53.03 N ATOM 356 CA VAL A 23 9.948 -0.470 2.881 1.00 14.51 C ATOM 357 C VAL A 23 10.812 0.344 1.918 1.00 75.11 C ATOM 358 O VAL A 23 11.118 1.510 2.168 1.00 71.53 O ATOM 359 CB VAL A 23 8.441 -0.243 2.591 1.00 72.11 C ATOM 360 CG1 VAL A 23 7.591 -1.191 3.419 1.00 41.22 C ATOM 361 CG2 VAL A 23 8.023 1.203 2.843 1.00 32.13 C ATOM 0 H VAL A 23 9.643 0.489 4.689 1.00 53.03 H new ATOM 0 HA VAL A 23 10.166 -1.525 2.717 1.00 14.51 H new ATOM 0 HB VAL A 23 8.279 -0.452 1.534 1.00 72.11 H new ATOM 0 HG11 VAL A 23 6.537 -1.018 3.203 1.00 41.22 H new ATOM 0 HG12 VAL A 23 7.848 -2.221 3.171 1.00 41.22 H new ATOM 0 HG13 VAL A 23 7.778 -1.016 4.479 1.00 41.22 H new ATOM 0 HG21 VAL A 23 6.961 1.317 2.628 1.00 32.13 H new ATOM 0 HG22 VAL A 23 8.212 1.460 3.885 1.00 32.13 H new ATOM 0 HG23 VAL A 23 8.598 1.866 2.196 1.00 32.13 H new ATOM 371 N LYS A 24 11.228 -0.285 0.842 1.00 0.31 N ATOM 372 CA LYS A 24 12.026 0.373 -0.176 1.00 54.03 C ATOM 373 C LYS A 24 11.126 1.030 -1.183 1.00 14.42 C ATOM 374 O LYS A 24 11.421 2.097 -1.715 1.00 31.30 O ATOM 375 CB LYS A 24 12.923 -0.629 -0.933 1.00 51.21 C ATOM 376 CG LYS A 24 12.156 -1.755 -1.635 1.00 71.20 C ATOM 377 CD LYS A 24 12.937 -2.370 -2.780 1.00 3.01 C ATOM 378 CE LYS A 24 13.214 -1.318 -3.849 1.00 40.44 C ATOM 379 NZ LYS A 24 13.889 -1.876 -5.043 1.00 0.22 N ATOM 0 H LYS A 24 11.025 -1.265 0.645 1.00 0.31 H new ATOM 0 HA LYS A 24 12.652 1.107 0.331 1.00 54.03 H new ATOM 0 HB2 LYS A 24 13.508 -0.086 -1.675 1.00 51.21 H new ATOM 0 HB3 LYS A 24 13.630 -1.070 -0.230 1.00 51.21 H new ATOM 0 HG2 LYS A 24 11.912 -2.531 -0.909 1.00 71.20 H new ATOM 0 HG3 LYS A 24 11.211 -1.365 -2.013 1.00 71.20 H new ATOM 0 HD2 LYS A 24 13.877 -2.781 -2.411 1.00 3.01 H new ATOM 0 HD3 LYS A 24 12.375 -3.198 -3.211 1.00 3.01 H new ATOM 0 HE2 LYS A 24 12.273 -0.858 -4.151 1.00 40.44 H new ATOM 0 HE3 LYS A 24 13.833 -0.528 -3.423 1.00 40.44 H new ATOM 0 HZ1 LYS A 24 14.052 -1.118 -5.736 1.00 0.22 H new ATOM 0 HZ2 LYS A 24 14.800 -2.292 -4.764 1.00 0.22 H new ATOM 0 HZ3 LYS A 24 13.289 -2.611 -5.469 1.00 0.22 H new ATOM 393 N HIS A 25 10.021 0.402 -1.409 1.00 51.42 N ATOM 394 CA HIS A 25 9.150 0.758 -2.466 1.00 23.34 C ATOM 395 C HIS A 25 7.737 0.423 -2.098 1.00 34.30 C ATOM 396 O HIS A 25 7.429 -0.714 -1.755 1.00 14.11 O ATOM 397 CB HIS A 25 9.619 0.001 -3.720 1.00 3.42 C ATOM 398 CG HIS A 25 8.765 0.095 -4.944 1.00 4.22 C ATOM 399 ND1 HIS A 25 8.106 1.235 -5.363 1.00 4.42 N ATOM 400 CD2 HIS A 25 8.462 -0.857 -5.830 1.00 13.51 C ATOM 401 CE1 HIS A 25 7.430 0.960 -6.462 1.00 42.04 C ATOM 402 NE2 HIS A 25 7.629 -0.304 -6.767 1.00 41.13 N ATOM 0 H HIS A 25 9.696 -0.387 -0.851 1.00 51.42 H new ATOM 0 HA HIS A 25 9.175 1.830 -2.662 1.00 23.34 H new ATOM 0 HB2 HIS A 25 10.615 0.361 -3.977 1.00 3.42 H new ATOM 0 HB3 HIS A 25 9.718 -1.053 -3.459 1.00 3.42 H new ATOM 0 HD2 HIS A 25 8.811 -1.879 -5.811 1.00 13.51 H new ATOM 0 HE1 HIS A 25 6.817 1.655 -7.017 1.00 42.04 H new ATOM 0 HE2 HIS A 25 7.229 -0.792 -7.569 1.00 41.13 H new ATOM 411 N LEU A 26 6.908 1.412 -2.143 1.00 74.11 N ATOM 412 CA LEU A 26 5.521 1.272 -1.847 1.00 43.10 C ATOM 413 C LEU A 26 4.802 1.258 -3.204 1.00 42.54 C ATOM 414 O LEU A 26 5.047 2.128 -4.042 1.00 54.21 O ATOM 415 CB LEU A 26 5.116 2.493 -0.965 1.00 32.21 C ATOM 416 CG LEU A 26 3.742 2.504 -0.262 1.00 52.14 C ATOM 417 CD1 LEU A 26 2.595 2.569 -1.228 1.00 24.51 C ATOM 418 CD2 LEU A 26 3.606 1.310 0.659 1.00 14.51 C ATOM 0 H LEU A 26 7.182 2.362 -2.392 1.00 74.11 H new ATOM 0 HA LEU A 26 5.266 0.365 -1.300 1.00 43.10 H new ATOM 0 HB2 LEU A 26 5.878 2.605 -0.193 1.00 32.21 H new ATOM 0 HB3 LEU A 26 5.167 3.381 -1.595 1.00 32.21 H new ATOM 0 HG LEU A 26 3.698 3.416 0.333 1.00 52.14 H new ATOM 0 HD11 LEU A 26 1.655 2.574 -0.677 1.00 24.51 H new ATOM 0 HD12 LEU A 26 2.672 3.479 -1.823 1.00 24.51 H new ATOM 0 HD13 LEU A 26 2.625 1.701 -1.887 1.00 24.51 H new ATOM 0 HD21 LEU A 26 2.631 1.335 1.146 1.00 14.51 H new ATOM 0 HD22 LEU A 26 3.699 0.391 0.080 1.00 14.51 H new ATOM 0 HD23 LEU A 26 4.390 1.343 1.416 1.00 14.51 H new ATOM 430 N LYS A 27 3.964 0.280 -3.421 1.00 22.21 N ATOM 431 CA LYS A 27 3.273 0.107 -4.690 1.00 70.41 C ATOM 432 C LYS A 27 1.831 -0.292 -4.434 1.00 62.42 C ATOM 433 O LYS A 27 1.570 -1.402 -4.044 1.00 11.52 O ATOM 434 CB LYS A 27 3.968 -1.029 -5.477 1.00 53.21 C ATOM 435 CG LYS A 27 3.413 -1.419 -6.876 1.00 42.21 C ATOM 436 CD LYS A 27 3.618 -0.357 -7.971 1.00 21.11 C ATOM 437 CE LYS A 27 2.668 0.831 -7.882 1.00 14.43 C ATOM 438 NZ LYS A 27 2.967 1.827 -8.931 1.00 55.33 N ATOM 0 H LYS A 27 3.734 -0.428 -2.724 1.00 22.21 H new ATOM 0 HA LYS A 27 3.300 1.039 -5.254 1.00 70.41 H new ATOM 0 HB2 LYS A 27 5.014 -0.751 -5.603 1.00 53.21 H new ATOM 0 HB3 LYS A 27 3.948 -1.923 -4.853 1.00 53.21 H new ATOM 0 HG2 LYS A 27 3.890 -2.346 -7.195 1.00 42.21 H new ATOM 0 HG3 LYS A 27 2.346 -1.624 -6.784 1.00 42.21 H new ATOM 0 HD2 LYS A 27 4.643 0.009 -7.918 1.00 21.11 H new ATOM 0 HD3 LYS A 27 3.498 -0.830 -8.946 1.00 21.11 H new ATOM 0 HE2 LYS A 27 1.639 0.487 -7.985 1.00 14.43 H new ATOM 0 HE3 LYS A 27 2.752 1.296 -6.900 1.00 14.43 H new ATOM 0 HZ1 LYS A 27 2.307 2.626 -8.849 1.00 55.33 H new ATOM 0 HZ2 LYS A 27 3.942 2.170 -8.816 1.00 55.33 H new ATOM 0 HZ3 LYS A 27 2.863 1.387 -9.867 1.00 55.33 H new ATOM 452 N ILE A 28 0.909 0.593 -4.619 1.00 70.00 N ATOM 453 CA ILE A 28 -0.467 0.215 -4.409 1.00 51.24 C ATOM 454 C ILE A 28 -1.098 -0.178 -5.739 1.00 23.44 C ATOM 455 O ILE A 28 -1.124 0.607 -6.684 1.00 53.34 O ATOM 456 CB ILE A 28 -1.320 1.299 -3.707 1.00 34.33 C ATOM 457 CG1 ILE A 28 -0.614 1.800 -2.449 1.00 5.43 C ATOM 458 CG2 ILE A 28 -2.673 0.700 -3.319 1.00 41.32 C ATOM 459 CD1 ILE A 28 -1.406 2.814 -1.634 1.00 31.24 C ATOM 0 H ILE A 28 1.065 1.559 -4.907 1.00 70.00 H new ATOM 0 HA ILE A 28 -0.453 -0.635 -3.727 1.00 51.24 H new ATOM 0 HB ILE A 28 -1.461 2.136 -4.391 1.00 34.33 H new ATOM 0 HG12 ILE A 28 -0.383 0.945 -1.814 1.00 5.43 H new ATOM 0 HG13 ILE A 28 0.337 2.249 -2.737 1.00 5.43 H new ATOM 0 HG21 ILE A 28 -3.278 1.459 -2.824 1.00 41.32 H new ATOM 0 HG22 ILE A 28 -3.188 0.353 -4.215 1.00 41.32 H new ATOM 0 HG23 ILE A 28 -2.518 -0.140 -2.641 1.00 41.32 H new ATOM 0 HD11 ILE A 28 -0.826 3.112 -0.761 1.00 31.24 H new ATOM 0 HD12 ILE A 28 -1.615 3.691 -2.247 1.00 31.24 H new ATOM 0 HD13 ILE A 28 -2.345 2.366 -1.310 1.00 31.24 H new ATOM 471 N LEU A 29 -1.575 -1.384 -5.793 1.00 13.55 N ATOM 472 CA LEU A 29 -2.175 -1.966 -6.964 1.00 12.40 C ATOM 473 C LEU A 29 -3.693 -1.893 -6.875 1.00 13.43 C ATOM 474 O LEU A 29 -4.298 -2.438 -5.948 1.00 21.22 O ATOM 475 CB LEU A 29 -1.715 -3.430 -7.083 1.00 51.14 C ATOM 476 CG LEU A 29 -2.301 -4.257 -8.230 1.00 32.20 C ATOM 477 CD1 LEU A 29 -2.124 -3.550 -9.562 1.00 12.25 C ATOM 478 CD2 LEU A 29 -1.610 -5.599 -8.289 1.00 43.41 C ATOM 0 H LEU A 29 -1.558 -2.018 -4.994 1.00 13.55 H new ATOM 0 HA LEU A 29 -1.862 -1.411 -7.849 1.00 12.40 H new ATOM 0 HB2 LEU A 29 -0.630 -3.436 -7.183 1.00 51.14 H new ATOM 0 HB3 LEU A 29 -1.952 -3.936 -6.147 1.00 51.14 H new ATOM 0 HG LEU A 29 -3.367 -4.388 -8.044 1.00 32.20 H new ATOM 0 HD11 LEU A 29 -2.550 -4.161 -10.358 1.00 12.25 H new ATOM 0 HD12 LEU A 29 -2.633 -2.586 -9.533 1.00 12.25 H new ATOM 0 HD13 LEU A 29 -1.062 -3.394 -9.753 1.00 12.25 H new ATOM 0 HD21 LEU A 29 -2.028 -6.188 -9.106 1.00 43.41 H new ATOM 0 HD22 LEU A 29 -0.543 -5.452 -8.456 1.00 43.41 H new ATOM 0 HD23 LEU A 29 -1.760 -6.127 -7.347 1.00 43.41 H new ATOM 490 N ASN A 30 -4.302 -1.224 -7.820 1.00 25.10 N ATOM 491 CA ASN A 30 -5.746 -1.096 -7.836 1.00 1.03 C ATOM 492 C ASN A 30 -6.369 -2.241 -8.632 1.00 72.05 C ATOM 493 O ASN A 30 -5.909 -2.593 -9.720 1.00 33.25 O ATOM 494 CB ASN A 30 -6.209 0.275 -8.378 1.00 33.24 C ATOM 495 CG ASN A 30 -5.847 0.518 -9.837 1.00 11.51 C ATOM 496 OD1 ASN A 30 -6.603 0.166 -10.743 1.00 74.01 O ATOM 497 ND2 ASN A 30 -4.711 1.136 -10.074 1.00 54.34 N ATOM 0 H ASN A 30 -3.825 -0.757 -8.591 1.00 25.10 H new ATOM 0 HA ASN A 30 -6.092 -1.155 -6.804 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -7.290 0.353 -8.265 1.00 33.24 H new ATOM 0 HB3 ASN A 30 -5.767 1.063 -7.768 1.00 33.24 H new ATOM 0 HD21 ASN A 30 -4.431 1.338 -11.034 1.00 54.34 H new ATOM 0 HD22 ASN A 30 -4.110 1.413 -9.298 1.00 54.34 H new ATOM 504 N THR A 31 -7.350 -2.862 -8.053 1.00 22.32 N ATOM 505 CA THR A 31 -8.046 -3.956 -8.661 1.00 51.01 C ATOM 506 C THR A 31 -9.565 -3.644 -8.682 1.00 1.13 C ATOM 507 O THR A 31 -10.094 -3.204 -7.675 1.00 25.45 O ATOM 508 CB THR A 31 -7.767 -5.220 -7.845 1.00 11.34 C ATOM 509 OG1 THR A 31 -6.348 -5.339 -7.674 1.00 50.02 O ATOM 510 CG2 THR A 31 -8.290 -6.469 -8.536 1.00 1.33 C ATOM 0 H THR A 31 -7.697 -2.618 -7.125 1.00 22.32 H new ATOM 0 HA THR A 31 -7.708 -4.107 -9.686 1.00 51.01 H new ATOM 0 HB THR A 31 -8.278 -5.133 -6.886 1.00 11.34 H new ATOM 0 HG1 THR A 31 -6.017 -6.096 -8.202 1.00 50.02 H new ATOM 0 HG21 THR A 31 -8.071 -7.343 -7.923 1.00 1.33 H new ATOM 0 HG22 THR A 31 -9.368 -6.384 -8.674 1.00 1.33 H new ATOM 0 HG23 THR A 31 -7.807 -6.577 -9.507 1.00 1.33 H new ATOM 518 N PRO A 32 -10.256 -3.873 -9.828 1.00 32.24 N ATOM 519 CA PRO A 32 -11.699 -3.598 -10.033 1.00 32.21 C ATOM 520 C PRO A 32 -12.616 -3.687 -8.781 1.00 53.04 C ATOM 521 O PRO A 32 -13.222 -2.696 -8.390 1.00 23.40 O ATOM 522 CB PRO A 32 -12.079 -4.670 -11.038 1.00 12.05 C ATOM 523 CG PRO A 32 -10.877 -4.800 -11.910 1.00 12.14 C ATOM 524 CD PRO A 32 -9.670 -4.416 -11.068 1.00 14.22 C ATOM 0 HA PRO A 32 -11.844 -2.562 -10.340 1.00 32.21 H new ATOM 0 HB2 PRO A 32 -12.316 -5.612 -10.544 1.00 12.05 H new ATOM 0 HB3 PRO A 32 -12.959 -4.382 -11.614 1.00 12.05 H new ATOM 0 HG2 PRO A 32 -10.779 -5.820 -12.281 1.00 12.14 H new ATOM 0 HG3 PRO A 32 -10.961 -4.151 -12.781 1.00 12.14 H new ATOM 0 HD2 PRO A 32 -9.035 -5.278 -10.865 1.00 14.22 H new ATOM 0 HD3 PRO A 32 -9.050 -3.676 -11.574 1.00 14.22 H new ATOM 532 N ASN A 33 -12.679 -4.853 -8.148 1.00 25.41 N ATOM 533 CA ASN A 33 -13.615 -5.065 -7.031 1.00 45.15 C ATOM 534 C ASN A 33 -12.881 -5.321 -5.753 1.00 12.01 C ATOM 535 O ASN A 33 -13.470 -5.341 -4.676 1.00 43.13 O ATOM 536 CB ASN A 33 -14.575 -6.233 -7.307 1.00 60.52 C ATOM 537 CG ASN A 33 -15.453 -6.017 -8.519 1.00 22.41 C ATOM 538 OD1 ASN A 33 -16.542 -5.446 -8.419 1.00 24.11 O ATOM 539 ND2 ASN A 33 -15.003 -6.476 -9.661 1.00 72.10 N ATOM 0 H ASN A 33 -12.103 -5.663 -8.380 1.00 25.41 H new ATOM 0 HA ASN A 33 -14.198 -4.149 -6.934 1.00 45.15 H new ATOM 0 HB2 ASN A 33 -13.995 -7.145 -7.446 1.00 60.52 H new ATOM 0 HB3 ASN A 33 -15.207 -6.388 -6.433 1.00 60.52 H new ATOM 0 HD21 ASN A 33 -15.559 -6.367 -10.509 1.00 72.10 H new ATOM 0 HD22 ASN A 33 -14.097 -6.942 -9.702 1.00 72.10 H new ATOM 546 N CYS A 34 -11.597 -5.521 -5.861 1.00 20.34 N ATOM 547 CA CYS A 34 -10.781 -5.745 -4.694 1.00 31.54 C ATOM 548 C CYS A 34 -10.213 -4.414 -4.221 1.00 64.53 C ATOM 549 O CYS A 34 -9.485 -4.344 -3.227 1.00 13.35 O ATOM 550 CB CYS A 34 -9.674 -6.744 -5.007 1.00 5.34 C ATOM 551 SG CYS A 34 -10.281 -8.336 -5.667 1.00 33.30 S ATOM 0 H CYS A 34 -11.090 -5.534 -6.746 1.00 20.34 H new ATOM 0 HA CYS A 34 -11.387 -6.170 -3.894 1.00 31.54 H new ATOM 0 HB2 CYS A 34 -8.990 -6.299 -5.730 1.00 5.34 H new ATOM 0 HB3 CYS A 34 -9.101 -6.933 -4.099 1.00 5.34 H new ATOM 556 N ALA A 35 -10.571 -3.367 -4.966 1.00 20.04 N ATOM 557 CA ALA A 35 -10.219 -1.988 -4.702 1.00 44.53 C ATOM 558 C ALA A 35 -8.751 -1.703 -4.859 1.00 40.50 C ATOM 559 O ALA A 35 -8.289 -1.422 -5.954 1.00 13.21 O ATOM 560 CB ALA A 35 -10.773 -1.508 -3.390 1.00 42.00 C ATOM 0 H ALA A 35 -11.140 -3.472 -5.806 1.00 20.04 H new ATOM 0 HA ALA A 35 -10.703 -1.399 -5.481 1.00 44.53 H new ATOM 0 HB1 ALA A 35 -10.485 -0.469 -3.232 1.00 42.00 H new ATOM 0 HB2 ALA A 35 -11.860 -1.585 -3.404 1.00 42.00 H new ATOM 0 HB3 ALA A 35 -10.376 -2.122 -2.581 1.00 42.00 H new ATOM 566 N LEU A 36 -8.027 -1.807 -3.808 1.00 13.21 N ATOM 567 CA LEU A 36 -6.636 -1.558 -3.845 1.00 53.24 C ATOM 568 C LEU A 36 -5.852 -2.383 -2.854 1.00 75.50 C ATOM 569 O LEU A 36 -6.230 -2.530 -1.695 1.00 75.12 O ATOM 570 CB LEU A 36 -6.325 -0.051 -3.797 1.00 62.40 C ATOM 571 CG LEU A 36 -6.973 0.818 -2.701 1.00 51.01 C ATOM 572 CD1 LEU A 36 -6.410 0.538 -1.315 1.00 44.42 C ATOM 573 CD2 LEU A 36 -6.823 2.275 -3.068 1.00 54.52 C ATOM 0 H LEU A 36 -8.386 -2.070 -2.890 1.00 13.21 H new ATOM 0 HA LEU A 36 -6.280 -1.906 -4.815 1.00 53.24 H new ATOM 0 HB2 LEU A 36 -5.244 0.058 -3.705 1.00 62.40 H new ATOM 0 HB3 LEU A 36 -6.607 0.373 -4.761 1.00 62.40 H new ATOM 0 HG LEU A 36 -8.031 0.560 -2.649 1.00 51.01 H new ATOM 0 HD11 LEU A 36 -6.904 1.179 -0.585 1.00 44.42 H new ATOM 0 HD12 LEU A 36 -6.583 -0.507 -1.056 1.00 44.42 H new ATOM 0 HD13 LEU A 36 -5.339 0.741 -1.310 1.00 44.42 H new ATOM 0 HD21 LEU A 36 -7.280 2.894 -2.296 1.00 54.52 H new ATOM 0 HD22 LEU A 36 -5.765 2.522 -3.152 1.00 54.52 H new ATOM 0 HD23 LEU A 36 -7.316 2.463 -4.022 1.00 54.52 H new ATOM 585 N GLN A 37 -4.800 -2.969 -3.349 1.00 70.35 N ATOM 586 CA GLN A 37 -3.904 -3.754 -2.562 1.00 43.23 C ATOM 587 C GLN A 37 -2.600 -3.058 -2.526 1.00 10.10 C ATOM 588 O GLN A 37 -2.113 -2.624 -3.544 1.00 64.41 O ATOM 589 CB GLN A 37 -3.697 -5.196 -3.098 1.00 52.15 C ATOM 590 CG GLN A 37 -4.835 -6.196 -2.854 1.00 34.02 C ATOM 591 CD GLN A 37 -6.039 -6.152 -3.789 1.00 24.14 C ATOM 592 OE1 GLN A 37 -6.656 -7.158 -4.003 1.00 41.01 O ATOM 593 NE2 GLN A 37 -6.373 -5.046 -4.339 1.00 14.33 N ATOM 0 H GLN A 37 -4.539 -2.911 -4.333 1.00 70.35 H new ATOM 0 HA GLN A 37 -4.345 -3.858 -1.571 1.00 43.23 H new ATOM 0 HB2 GLN A 37 -3.521 -5.137 -4.172 1.00 52.15 H new ATOM 0 HB3 GLN A 37 -2.789 -5.598 -2.648 1.00 52.15 H new ATOM 0 HG2 GLN A 37 -4.413 -7.200 -2.900 1.00 34.02 H new ATOM 0 HG3 GLN A 37 -5.197 -6.049 -1.836 1.00 34.02 H new ATOM 0 HE21 GLN A 37 -5.838 -4.199 -4.147 1.00 14.33 H new ATOM 0 HE22 GLN A 37 -7.174 -5.011 -4.969 1.00 14.33 H new ATOM 602 N ILE A 38 -2.030 -2.952 -1.394 1.00 54.01 N ATOM 603 CA ILE A 38 -0.794 -2.265 -1.280 1.00 13.04 C ATOM 604 C ILE A 38 0.304 -3.291 -1.253 1.00 13.35 C ATOM 605 O ILE A 38 0.233 -4.244 -0.508 1.00 3.31 O ATOM 606 CB ILE A 38 -0.753 -1.453 0.010 1.00 60.43 C ATOM 607 CG1 ILE A 38 -1.953 -0.508 0.094 1.00 72.33 C ATOM 608 CG2 ILE A 38 0.567 -0.682 0.127 1.00 25.51 C ATOM 609 CD1 ILE A 38 -2.046 0.226 1.401 1.00 2.53 C ATOM 0 H ILE A 38 -2.396 -3.333 -0.521 1.00 54.01 H new ATOM 0 HA ILE A 38 -0.672 -1.583 -2.122 1.00 13.04 H new ATOM 0 HB ILE A 38 -0.811 -2.145 0.850 1.00 60.43 H new ATOM 0 HG12 ILE A 38 -1.892 0.217 -0.718 1.00 72.33 H new ATOM 0 HG13 ILE A 38 -2.868 -1.081 -0.058 1.00 72.33 H new ATOM 0 HG21 ILE A 38 0.573 -0.110 1.055 1.00 25.51 H new ATOM 0 HG22 ILE A 38 1.400 -1.385 0.128 1.00 25.51 H new ATOM 0 HG23 ILE A 38 0.667 -0.002 -0.719 1.00 25.51 H new ATOM 0 HD11 ILE A 38 -2.920 0.878 1.391 1.00 2.53 H new ATOM 0 HD12 ILE A 38 -2.138 -0.492 2.216 1.00 2.53 H new ATOM 0 HD13 ILE A 38 -1.148 0.826 1.546 1.00 2.53 H new ATOM 621 N VAL A 39 1.265 -3.121 -2.086 1.00 41.20 N ATOM 622 CA VAL A 39 2.391 -4.026 -2.180 1.00 30.32 C ATOM 623 C VAL A 39 3.662 -3.274 -1.826 1.00 24.51 C ATOM 624 O VAL A 39 3.897 -2.179 -2.327 1.00 12.10 O ATOM 625 CB VAL A 39 2.519 -4.599 -3.624 1.00 10.15 C ATOM 626 CG1 VAL A 39 3.719 -5.520 -3.760 1.00 54.34 C ATOM 627 CG2 VAL A 39 1.239 -5.313 -4.047 1.00 74.40 C ATOM 0 H VAL A 39 1.308 -2.340 -2.741 1.00 41.20 H new ATOM 0 HA VAL A 39 2.236 -4.854 -1.489 1.00 30.32 H new ATOM 0 HB VAL A 39 2.676 -3.753 -4.293 1.00 10.15 H new ATOM 0 HG11 VAL A 39 3.773 -5.899 -4.781 1.00 54.34 H new ATOM 0 HG12 VAL A 39 4.630 -4.967 -3.529 1.00 54.34 H new ATOM 0 HG13 VAL A 39 3.616 -6.356 -3.068 1.00 54.34 H new ATOM 0 HG21 VAL A 39 1.357 -5.703 -5.058 1.00 74.40 H new ATOM 0 HG22 VAL A 39 1.038 -6.137 -3.362 1.00 74.40 H new ATOM 0 HG23 VAL A 39 0.406 -4.611 -4.024 1.00 74.40 H new ATOM 637 N ALA A 40 4.464 -3.824 -0.964 1.00 30.55 N ATOM 638 CA ALA A 40 5.684 -3.172 -0.587 1.00 15.14 C ATOM 639 C ALA A 40 6.792 -4.151 -0.361 1.00 50.50 C ATOM 640 O ALA A 40 6.580 -5.233 0.189 1.00 51.44 O ATOM 641 CB ALA A 40 5.482 -2.335 0.648 1.00 32.22 C ATOM 0 H ALA A 40 4.297 -4.721 -0.509 1.00 30.55 H new ATOM 0 HA ALA A 40 5.970 -2.525 -1.416 1.00 15.14 H new ATOM 0 HB1 ALA A 40 6.420 -1.850 0.916 1.00 32.22 H new ATOM 0 HB2 ALA A 40 4.724 -1.577 0.453 1.00 32.22 H new ATOM 0 HB3 ALA A 40 5.155 -2.972 1.470 1.00 32.22 H new ATOM 647 N ARG A 41 7.957 -3.791 -0.814 1.00 12.13 N ATOM 648 CA ARG A 41 9.135 -4.546 -0.572 1.00 1.51 C ATOM 649 C ARG A 41 9.977 -3.914 0.473 1.00 64.32 C ATOM 650 O ARG A 41 10.094 -2.692 0.535 1.00 35.34 O ATOM 651 CB ARG A 41 9.901 -4.786 -1.841 1.00 31.31 C ATOM 652 CG ARG A 41 9.659 -6.161 -2.374 1.00 53.44 C ATOM 653 CD ARG A 41 10.217 -6.363 -3.735 1.00 35.31 C ATOM 654 NE ARG A 41 9.584 -5.483 -4.738 1.00 42.43 N ATOM 655 CZ ARG A 41 10.174 -5.019 -5.848 1.00 60.25 C ATOM 656 NH1 ARG A 41 11.474 -5.209 -6.053 1.00 11.23 N ATOM 657 NH2 ARG A 41 9.454 -4.347 -6.745 1.00 1.14 N ATOM 0 H ARG A 41 8.110 -2.950 -1.370 1.00 12.13 H new ATOM 0 HA ARG A 41 8.832 -5.521 -0.192 1.00 1.51 H new ATOM 0 HB2 ARG A 41 9.609 -4.048 -2.588 1.00 31.31 H new ATOM 0 HB3 ARG A 41 10.966 -4.648 -1.656 1.00 31.31 H new ATOM 0 HG2 ARG A 41 10.100 -6.891 -1.695 1.00 53.44 H new ATOM 0 HG3 ARG A 41 8.586 -6.353 -2.395 1.00 53.44 H new ATOM 0 HD2 ARG A 41 11.291 -6.175 -3.716 1.00 35.31 H new ATOM 0 HD3 ARG A 41 10.080 -7.403 -4.030 1.00 35.31 H new ATOM 0 HE ARG A 41 8.617 -5.205 -4.572 1.00 42.43 H new ATOM 0 HH11 ARG A 41 12.031 -5.712 -5.362 1.00 11.23 H new ATOM 0 HH12 ARG A 41 11.914 -4.852 -6.901 1.00 11.23 H new ATOM 0 HH21 ARG A 41 8.459 -4.188 -6.585 1.00 1.14 H new ATOM 0 HH22 ARG A 41 9.897 -3.991 -7.592 1.00 1.14 H new ATOM 671 N LEU A 42 10.542 -4.735 1.303 1.00 33.05 N ATOM 672 CA LEU A 42 11.361 -4.277 2.400 1.00 75.14 C ATOM 673 C LEU A 42 12.768 -3.989 1.906 1.00 35.31 C ATOM 674 O LEU A 42 13.216 -4.584 0.934 1.00 42.51 O ATOM 675 CB LEU A 42 11.402 -5.330 3.501 1.00 65.22 C ATOM 676 CG LEU A 42 10.034 -5.867 3.978 1.00 52.51 C ATOM 677 CD1 LEU A 42 10.202 -6.884 5.095 1.00 61.12 C ATOM 678 CD2 LEU A 42 9.117 -4.730 4.421 1.00 50.23 C ATOM 0 H LEU A 42 10.452 -5.749 1.245 1.00 33.05 H new ATOM 0 HA LEU A 42 10.929 -3.362 2.806 1.00 75.14 H new ATOM 0 HB2 LEU A 42 11.997 -6.172 3.148 1.00 65.22 H new ATOM 0 HB3 LEU A 42 11.924 -4.908 4.360 1.00 65.22 H new ATOM 0 HG LEU A 42 9.566 -6.368 3.130 1.00 52.51 H new ATOM 0 HD11 LEU A 42 9.222 -7.244 5.410 1.00 61.12 H new ATOM 0 HD12 LEU A 42 10.799 -7.723 4.737 1.00 61.12 H new ATOM 0 HD13 LEU A 42 10.705 -6.416 5.941 1.00 61.12 H new ATOM 0 HD21 LEU A 42 8.162 -5.140 4.751 1.00 50.23 H new ATOM 0 HD22 LEU A 42 9.582 -4.187 5.243 1.00 50.23 H new ATOM 0 HD23 LEU A 42 8.951 -4.050 3.585 1.00 50.23 H new ATOM 690 N LYS A 43 13.445 -3.088 2.567 1.00 11.04 N ATOM 691 CA LYS A 43 14.786 -2.695 2.178 1.00 25.33 C ATOM 692 C LYS A 43 15.816 -3.766 2.511 1.00 33.23 C ATOM 693 O LYS A 43 16.525 -4.237 1.631 1.00 15.11 O ATOM 694 CB LYS A 43 15.177 -1.365 2.831 1.00 52.45 C ATOM 695 CG LYS A 43 14.265 -0.210 2.458 1.00 72.03 C ATOM 696 CD LYS A 43 14.658 1.098 3.128 1.00 45.13 C ATOM 697 CE LYS A 43 16.038 1.554 2.702 1.00 50.03 C ATOM 698 NZ LYS A 43 16.385 2.869 3.274 1.00 51.34 N ATOM 0 H LYS A 43 13.089 -2.602 3.390 1.00 11.04 H new ATOM 0 HA LYS A 43 14.778 -2.569 1.095 1.00 25.33 H new ATOM 0 HB2 LYS A 43 15.170 -1.486 3.914 1.00 52.45 H new ATOM 0 HB3 LYS A 43 16.199 -1.116 2.545 1.00 52.45 H new ATOM 0 HG2 LYS A 43 14.281 -0.077 1.376 1.00 72.03 H new ATOM 0 HG3 LYS A 43 13.240 -0.460 2.734 1.00 72.03 H new ATOM 0 HD2 LYS A 43 13.928 1.868 2.879 1.00 45.13 H new ATOM 0 HD3 LYS A 43 14.634 0.974 4.211 1.00 45.13 H new ATOM 0 HE2 LYS A 43 16.777 0.816 3.015 1.00 50.03 H new ATOM 0 HE3 LYS A 43 16.082 1.608 1.614 1.00 50.03 H new ATOM 0 HZ1 LYS A 43 17.337 3.145 2.958 1.00 51.34 H new ATOM 0 HZ2 LYS A 43 15.695 3.579 2.955 1.00 51.34 H new ATOM 0 HZ3 LYS A 43 16.368 2.811 4.312 1.00 51.34 H new ATOM 712 N ASN A 44 15.892 -4.149 3.765 1.00 71.45 N ATOM 713 CA ASN A 44 16.914 -5.104 4.192 1.00 54.54 C ATOM 714 C ASN A 44 16.550 -6.541 3.859 1.00 64.02 C ATOM 715 O ASN A 44 17.412 -7.337 3.454 1.00 51.33 O ATOM 716 CB ASN A 44 17.208 -4.956 5.692 1.00 45.35 C ATOM 717 CG ASN A 44 18.222 -5.963 6.196 1.00 2.04 C ATOM 718 OD1 ASN A 44 17.865 -7.058 6.653 1.00 21.32 O ATOM 719 ND2 ASN A 44 19.474 -5.618 6.121 1.00 61.14 N ATOM 0 H ASN A 44 15.271 -3.824 4.506 1.00 71.45 H new ATOM 0 HA ASN A 44 17.817 -4.867 3.629 1.00 54.54 H new ATOM 0 HB2 ASN A 44 17.576 -3.949 5.887 1.00 45.35 H new ATOM 0 HB3 ASN A 44 16.280 -5.071 6.252 1.00 45.35 H new ATOM 0 HD21 ASN A 44 20.200 -6.258 6.445 1.00 61.14 H new ATOM 0 HD22 ASN A 44 19.730 -4.708 5.739 1.00 61.14 H new ATOM 726 N ASN A 45 15.288 -6.872 3.998 1.00 51.44 N ATOM 727 CA ASN A 45 14.846 -8.242 3.768 1.00 63.41 C ATOM 728 C ASN A 45 14.610 -8.466 2.272 1.00 62.23 C ATOM 729 O ASN A 45 14.943 -9.520 1.733 1.00 23.21 O ATOM 730 CB ASN A 45 13.539 -8.515 4.530 1.00 45.42 C ATOM 731 CG ASN A 45 13.193 -9.997 4.648 1.00 15.13 C ATOM 732 OD1 ASN A 45 13.611 -10.819 3.848 1.00 32.11 O ATOM 733 ND2 ASN A 45 12.359 -10.331 5.601 1.00 0.03 N ATOM 0 H ASN A 45 14.548 -6.223 4.267 1.00 51.44 H new ATOM 0 HA ASN A 45 15.620 -8.922 4.125 1.00 63.41 H new ATOM 0 HB2 ASN A 45 13.617 -8.089 5.530 1.00 45.42 H new ATOM 0 HB3 ASN A 45 12.721 -7.999 4.026 1.00 45.42 H new ATOM 0 HD21 ASN A 45 12.044 -11.297 5.687 1.00 0.03 H new ATOM 0 HD22 ASN A 45 12.025 -9.625 6.257 1.00 0.03 H new ATOM 740 N ASN A 46 14.065 -7.435 1.609 1.00 74.44 N ATOM 741 CA ASN A 46 13.678 -7.463 0.168 1.00 45.40 C ATOM 742 C ASN A 46 12.387 -8.290 -0.033 1.00 72.11 C ATOM 743 O ASN A 46 11.975 -8.582 -1.144 1.00 14.42 O ATOM 744 CB ASN A 46 14.846 -7.949 -0.754 1.00 0.01 C ATOM 745 CG ASN A 46 14.546 -7.840 -2.256 1.00 15.00 C ATOM 746 OD1 ASN A 46 13.804 -6.961 -2.697 1.00 33.55 O ATOM 747 ND2 ASN A 46 15.127 -8.718 -3.040 1.00 13.22 N ATOM 0 H ASN A 46 13.873 -6.538 2.056 1.00 74.44 H new ATOM 0 HA ASN A 46 13.467 -6.438 -0.138 1.00 45.40 H new ATOM 0 HB2 ASN A 46 15.739 -7.365 -0.529 1.00 0.01 H new ATOM 0 HB3 ASN A 46 15.076 -8.987 -0.515 1.00 0.01 H new ATOM 0 HD21 ASN A 46 14.970 -8.685 -4.047 1.00 13.22 H new ATOM 0 HD22 ASN A 46 15.736 -9.433 -2.642 1.00 13.22 H new ATOM 754 N ARG A 47 11.728 -8.627 1.064 1.00 31.10 N ATOM 755 CA ARG A 47 10.475 -9.340 0.984 1.00 2.13 C ATOM 756 C ARG A 47 9.383 -8.463 0.503 1.00 12.13 C ATOM 757 O ARG A 47 9.326 -7.282 0.846 1.00 10.30 O ATOM 758 CB ARG A 47 10.071 -9.991 2.289 1.00 32.44 C ATOM 759 CG ARG A 47 10.786 -11.260 2.616 1.00 72.31 C ATOM 760 CD ARG A 47 10.114 -11.945 3.779 1.00 33.22 C ATOM 761 NE ARG A 47 8.738 -12.331 3.440 1.00 4.32 N ATOM 762 CZ ARG A 47 7.919 -13.058 4.203 1.00 41.12 C ATOM 763 NH1 ARG A 47 8.319 -13.532 5.377 1.00 64.35 N ATOM 764 NH2 ARG A 47 6.698 -13.318 3.773 1.00 42.24 N ATOM 0 H ARG A 47 12.042 -8.418 2.012 1.00 31.10 H new ATOM 0 HA ARG A 47 10.641 -10.139 0.262 1.00 2.13 H new ATOM 0 HB2 ARG A 47 10.238 -9.280 3.098 1.00 32.44 H new ATOM 0 HB3 ARG A 47 9.000 -10.194 2.259 1.00 32.44 H new ATOM 0 HG2 ARG A 47 10.790 -11.919 1.748 1.00 72.31 H new ATOM 0 HG3 ARG A 47 11.827 -11.048 2.860 1.00 72.31 H new ATOM 0 HD2 ARG A 47 10.684 -12.830 4.063 1.00 33.22 H new ATOM 0 HD3 ARG A 47 10.106 -11.280 4.642 1.00 33.22 H new ATOM 0 HE ARG A 47 8.376 -12.015 2.540 1.00 4.32 H new ATOM 0 HH11 ARG A 47 9.265 -13.342 5.708 1.00 64.35 H new ATOM 0 HH12 ARG A 47 7.680 -14.086 5.948 1.00 64.35 H new ATOM 0 HH21 ARG A 47 6.390 -12.964 2.867 1.00 42.24 H new ATOM 0 HH22 ARG A 47 6.063 -13.872 4.347 1.00 42.24 H new ATOM 778 N GLN A 48 8.528 -9.034 -0.285 1.00 3.40 N ATOM 779 CA GLN A 48 7.442 -8.340 -0.848 1.00 21.41 C ATOM 780 C GLN A 48 6.200 -8.744 -0.086 1.00 52.11 C ATOM 781 O GLN A 48 5.835 -9.917 -0.064 1.00 23.40 O ATOM 782 CB GLN A 48 7.322 -8.751 -2.310 1.00 60.21 C ATOM 783 CG GLN A 48 6.426 -7.869 -3.124 1.00 70.23 C ATOM 784 CD GLN A 48 6.282 -8.317 -4.567 1.00 21.40 C ATOM 785 OE1 GLN A 48 6.318 -9.596 -4.803 1.00 24.11 O flip ATOM 786 NE2 GLN A 48 6.103 -7.497 -5.460 1.00 14.32 N flip ATOM 0 H GLN A 48 8.577 -10.017 -0.553 1.00 3.40 H new ATOM 0 HA GLN A 48 7.576 -7.260 -0.790 1.00 21.41 H new ATOM 0 HB2 GLN A 48 8.316 -8.753 -2.758 1.00 60.21 H new ATOM 0 HB3 GLN A 48 6.948 -9.774 -2.359 1.00 60.21 H new ATOM 0 HG2 GLN A 48 5.440 -7.840 -2.661 1.00 70.23 H new ATOM 0 HG3 GLN A 48 6.817 -6.852 -3.105 1.00 70.23 H new ATOM 0 HE21 GLN A 48 6.080 -6.501 -5.241 1.00 14.32 H new ATOM 0 HE22 GLN A 48 5.977 -7.810 -6.422 1.00 14.32 H new ATOM 795 N VAL A 49 5.570 -7.799 0.534 1.00 14.31 N ATOM 796 CA VAL A 49 4.393 -8.061 1.332 1.00 52.34 C ATOM 797 C VAL A 49 3.272 -7.143 0.917 1.00 34.03 C ATOM 798 O VAL A 49 3.478 -6.228 0.112 1.00 14.21 O ATOM 799 CB VAL A 49 4.664 -7.889 2.863 1.00 64.25 C ATOM 800 CG1 VAL A 49 5.696 -8.899 3.357 1.00 60.41 C ATOM 801 CG2 VAL A 49 5.120 -6.464 3.186 1.00 44.53 C ATOM 0 H VAL A 49 5.849 -6.818 0.508 1.00 14.31 H new ATOM 0 HA VAL A 49 4.112 -9.100 1.157 1.00 52.34 H new ATOM 0 HB VAL A 49 3.725 -8.076 3.384 1.00 64.25 H new ATOM 0 HG11 VAL A 49 5.864 -8.755 4.424 1.00 60.41 H new ATOM 0 HG12 VAL A 49 5.329 -9.910 3.180 1.00 60.41 H new ATOM 0 HG13 VAL A 49 6.633 -8.754 2.820 1.00 60.41 H new ATOM 0 HG21 VAL A 49 5.301 -6.374 4.257 1.00 44.53 H new ATOM 0 HG22 VAL A 49 6.039 -6.244 2.643 1.00 44.53 H new ATOM 0 HG23 VAL A 49 4.345 -5.758 2.888 1.00 44.53 H new ATOM 811 N CYS A 50 2.106 -7.380 1.442 1.00 21.22 N ATOM 812 CA CYS A 50 0.976 -6.543 1.161 1.00 72.30 C ATOM 813 C CYS A 50 0.718 -5.674 2.363 1.00 24.31 C ATOM 814 O CYS A 50 1.008 -6.075 3.480 1.00 15.31 O ATOM 815 CB CYS A 50 -0.245 -7.387 0.839 1.00 62.34 C ATOM 816 SG CYS A 50 0.059 -8.604 -0.489 1.00 51.31 S ATOM 0 H CYS A 50 1.911 -8.156 2.075 1.00 21.22 H new ATOM 0 HA CYS A 50 1.184 -5.919 0.292 1.00 72.30 H new ATOM 0 HB2 CYS A 50 -0.565 -7.912 1.739 1.00 62.34 H new ATOM 0 HB3 CYS A 50 -1.065 -6.732 0.544 1.00 62.34 H new ATOM 821 N ILE A 51 0.208 -4.500 2.148 1.00 54.42 N ATOM 822 CA ILE A 51 -0.028 -3.572 3.217 1.00 70.13 C ATOM 823 C ILE A 51 -1.489 -3.207 3.311 1.00 1.23 C ATOM 824 O ILE A 51 -2.184 -3.085 2.297 1.00 44.00 O ATOM 825 CB ILE A 51 0.834 -2.303 3.069 1.00 31.23 C ATOM 826 CG1 ILE A 51 2.290 -2.691 3.011 1.00 14.15 C ATOM 827 CG2 ILE A 51 0.592 -1.333 4.206 1.00 72.40 C ATOM 828 CD1 ILE A 51 3.234 -1.514 3.004 1.00 31.33 C ATOM 0 H ILE A 51 -0.058 -4.155 1.225 1.00 54.42 H new ATOM 0 HA ILE A 51 0.263 -4.070 4.142 1.00 70.13 H new ATOM 0 HB ILE A 51 0.552 -1.800 2.144 1.00 31.23 H new ATOM 0 HG12 ILE A 51 2.522 -3.326 3.866 1.00 14.15 H new ATOM 0 HG13 ILE A 51 2.462 -3.288 2.115 1.00 14.15 H new ATOM 0 HG21 ILE A 51 1.216 -0.450 4.070 1.00 72.40 H new ATOM 0 HG22 ILE A 51 -0.457 -1.038 4.216 1.00 72.40 H new ATOM 0 HG23 ILE A 51 0.843 -1.812 5.152 1.00 72.40 H new ATOM 0 HD11 ILE A 51 4.262 -1.873 2.961 1.00 31.33 H new ATOM 0 HD12 ILE A 51 3.031 -0.890 2.134 1.00 31.33 H new ATOM 0 HD13 ILE A 51 3.092 -0.928 3.912 1.00 31.33 H new ATOM 840 N ASP A 52 -1.946 -3.084 4.528 1.00 45.23 N ATOM 841 CA ASP A 52 -3.308 -2.735 4.830 1.00 5.52 C ATOM 842 C ASP A 52 -3.506 -1.233 4.702 1.00 44.31 C ATOM 843 O ASP A 52 -2.770 -0.451 5.308 1.00 55.51 O ATOM 844 CB ASP A 52 -3.617 -3.201 6.229 1.00 45.32 C ATOM 845 CG ASP A 52 -5.036 -2.938 6.673 1.00 4.31 C ATOM 846 OD1 ASP A 52 -5.929 -3.773 6.377 1.00 0.23 O ATOM 847 OD2 ASP A 52 -5.278 -1.927 7.351 1.00 22.43 O ATOM 0 H ASP A 52 -1.368 -3.227 5.356 1.00 45.23 H new ATOM 0 HA ASP A 52 -3.986 -3.218 4.127 1.00 5.52 H new ATOM 0 HB2 ASP A 52 -3.421 -4.271 6.294 1.00 45.32 H new ATOM 0 HB3 ASP A 52 -2.935 -2.709 6.922 1.00 45.32 H new ATOM 852 N PRO A 53 -4.504 -0.810 3.918 1.00 65.31 N ATOM 853 CA PRO A 53 -4.751 0.605 3.630 1.00 65.01 C ATOM 854 C PRO A 53 -5.175 1.437 4.839 1.00 52.21 C ATOM 855 O PRO A 53 -5.185 2.658 4.771 1.00 23.45 O ATOM 856 CB PRO A 53 -5.876 0.570 2.585 1.00 24.34 C ATOM 857 CG PRO A 53 -6.543 -0.745 2.787 1.00 20.14 C ATOM 858 CD PRO A 53 -5.470 -1.689 3.226 1.00 65.34 C ATOM 0 HA PRO A 53 -3.834 1.089 3.295 1.00 65.01 H new ATOM 0 HB2 PRO A 53 -6.575 1.394 2.729 1.00 24.34 H new ATOM 0 HB3 PRO A 53 -5.479 0.661 1.574 1.00 24.34 H new ATOM 0 HG2 PRO A 53 -7.330 -0.672 3.538 1.00 20.14 H new ATOM 0 HG3 PRO A 53 -7.013 -1.090 1.866 1.00 20.14 H new ATOM 0 HD2 PRO A 53 -5.860 -2.460 3.891 1.00 65.34 H new ATOM 0 HD3 PRO A 53 -5.013 -2.200 2.379 1.00 65.34 H new ATOM 866 N LYS A 54 -5.491 0.792 5.950 1.00 14.41 N ATOM 867 CA LYS A 54 -5.997 1.517 7.102 1.00 62.00 C ATOM 868 C LYS A 54 -4.899 1.920 8.035 1.00 52.31 C ATOM 869 O LYS A 54 -5.145 2.553 9.072 1.00 0.43 O ATOM 870 CB LYS A 54 -7.018 0.704 7.817 1.00 42.11 C ATOM 871 CG LYS A 54 -8.077 0.248 6.876 1.00 24.23 C ATOM 872 CD LYS A 54 -9.197 -0.471 7.579 1.00 14.13 C ATOM 873 CE LYS A 54 -9.927 0.448 8.558 1.00 70.02 C ATOM 874 NZ LYS A 54 -11.013 -0.243 9.272 1.00 51.22 N ATOM 0 H LYS A 54 -5.408 -0.217 6.078 1.00 14.41 H new ATOM 0 HA LYS A 54 -6.464 2.431 6.736 1.00 62.00 H new ATOM 0 HB2 LYS A 54 -6.542 -0.159 8.283 1.00 42.11 H new ATOM 0 HB3 LYS A 54 -7.465 1.293 8.618 1.00 42.11 H new ATOM 0 HG2 LYS A 54 -8.480 1.108 6.342 1.00 24.23 H new ATOM 0 HG3 LYS A 54 -7.636 -0.413 6.130 1.00 24.23 H new ATOM 0 HD2 LYS A 54 -9.903 -0.854 6.843 1.00 14.13 H new ATOM 0 HD3 LYS A 54 -8.798 -1.332 8.115 1.00 14.13 H new ATOM 0 HE2 LYS A 54 -9.214 0.843 9.281 1.00 70.02 H new ATOM 0 HE3 LYS A 54 -10.337 1.300 8.016 1.00 70.02 H new ATOM 0 HZ1 LYS A 54 -11.478 0.421 9.924 1.00 51.22 H new ATOM 0 HZ2 LYS A 54 -11.709 -0.598 8.586 1.00 51.22 H new ATOM 0 HZ3 LYS A 54 -10.621 -1.041 9.812 1.00 51.22 H new ATOM 888 N LEU A 55 -3.705 1.539 7.693 1.00 75.33 N ATOM 889 CA LEU A 55 -2.525 1.931 8.446 1.00 1.45 C ATOM 890 C LEU A 55 -2.372 3.436 8.469 1.00 63.13 C ATOM 891 O LEU A 55 -2.582 4.101 7.458 1.00 0.34 O ATOM 892 CB LEU A 55 -1.279 1.281 7.876 1.00 53.13 C ATOM 893 CG LEU A 55 -1.059 -0.199 8.198 1.00 73.34 C ATOM 894 CD1 LEU A 55 0.171 -0.702 7.497 1.00 33.23 C ATOM 895 CD2 LEU A 55 -0.894 -0.397 9.687 1.00 12.32 C ATOM 0 H LEU A 55 -3.509 0.947 6.886 1.00 75.33 H new ATOM 0 HA LEU A 55 -2.655 1.585 9.471 1.00 1.45 H new ATOM 0 HB2 LEU A 55 -1.305 1.392 6.792 1.00 53.13 H new ATOM 0 HB3 LEU A 55 -0.413 1.838 8.233 1.00 53.13 H new ATOM 0 HG LEU A 55 -1.931 -0.756 7.855 1.00 73.34 H new ATOM 0 HD11 LEU A 55 0.319 -1.756 7.733 1.00 33.23 H new ATOM 0 HD12 LEU A 55 0.050 -0.584 6.420 1.00 33.23 H new ATOM 0 HD13 LEU A 55 1.038 -0.131 7.829 1.00 33.23 H new ATOM 0 HD21 LEU A 55 -0.739 -1.455 9.898 1.00 12.32 H new ATOM 0 HD22 LEU A 55 -0.033 0.173 10.037 1.00 12.32 H new ATOM 0 HD23 LEU A 55 -1.791 -0.052 10.201 1.00 12.32 H new ATOM 907 N LYS A 56 -1.992 3.961 9.614 1.00 64.12 N ATOM 908 CA LYS A 56 -1.884 5.400 9.809 1.00 61.44 C ATOM 909 C LYS A 56 -0.840 6.016 8.902 1.00 71.12 C ATOM 910 O LYS A 56 -1.088 7.044 8.299 1.00 1.33 O ATOM 911 CB LYS A 56 -1.595 5.777 11.268 1.00 62.23 C ATOM 912 CG LYS A 56 -1.469 7.289 11.477 1.00 52.11 C ATOM 913 CD LYS A 56 -1.098 7.642 12.898 1.00 5.21 C ATOM 914 CE LYS A 56 -0.902 9.144 13.061 1.00 63.34 C ATOM 915 NZ LYS A 56 -2.146 9.915 12.809 1.00 24.13 N ATOM 0 H LYS A 56 -1.749 3.409 10.436 1.00 64.12 H new ATOM 0 HA LYS A 56 -2.860 5.807 9.545 1.00 61.44 H new ATOM 0 HB2 LYS A 56 -2.393 5.392 11.903 1.00 62.23 H new ATOM 0 HB3 LYS A 56 -0.672 5.293 11.588 1.00 62.23 H new ATOM 0 HG2 LYS A 56 -0.715 7.686 10.798 1.00 52.11 H new ATOM 0 HG3 LYS A 56 -2.413 7.769 11.220 1.00 52.11 H new ATOM 0 HD2 LYS A 56 -1.879 7.299 13.576 1.00 5.21 H new ATOM 0 HD3 LYS A 56 -0.182 7.121 13.177 1.00 5.21 H new ATOM 0 HE2 LYS A 56 -0.548 9.353 14.071 1.00 63.34 H new ATOM 0 HE3 LYS A 56 -0.125 9.481 12.375 1.00 63.34 H new ATOM 0 HZ1 LYS A 56 -2.000 10.908 13.080 1.00 24.13 H new ATOM 0 HZ2 LYS A 56 -2.388 9.863 11.799 1.00 24.13 H new ATOM 0 HZ3 LYS A 56 -2.923 9.514 13.372 1.00 24.13 H new ATOM 929 N TRP A 57 0.326 5.386 8.786 1.00 74.14 N ATOM 930 CA TRP A 57 1.361 5.955 7.929 1.00 62.31 C ATOM 931 C TRP A 57 0.953 5.845 6.463 1.00 32.31 C ATOM 932 O TRP A 57 1.392 6.622 5.626 1.00 73.13 O ATOM 933 CB TRP A 57 2.757 5.357 8.187 1.00 55.45 C ATOM 934 CG TRP A 57 2.902 3.912 7.852 1.00 1.44 C ATOM 935 CD1 TRP A 57 2.691 2.850 8.672 1.00 71.42 C ATOM 936 CD2 TRP A 57 3.313 3.380 6.597 1.00 45.11 C ATOM 937 NE1 TRP A 57 2.942 1.690 7.994 1.00 50.04 N ATOM 938 CE2 TRP A 57 3.330 1.992 6.717 1.00 11.44 C ATOM 939 CE3 TRP A 57 3.670 3.957 5.381 1.00 21.43 C ATOM 940 CZ2 TRP A 57 3.688 1.166 5.662 1.00 64.43 C ATOM 941 CZ3 TRP A 57 4.025 3.139 4.337 1.00 61.44 C ATOM 942 CH2 TRP A 57 4.033 1.758 4.484 1.00 31.45 C ATOM 0 H TRP A 57 0.573 4.514 9.255 1.00 74.14 H new ATOM 0 HA TRP A 57 1.448 7.011 8.185 1.00 62.31 H new ATOM 0 HB2 TRP A 57 3.489 5.922 7.610 1.00 55.45 H new ATOM 0 HB3 TRP A 57 3.005 5.496 9.239 1.00 55.45 H new ATOM 0 HD1 TRP A 57 2.373 2.913 9.702 1.00 71.42 H new ATOM 0 HE1 TRP A 57 2.854 0.749 8.379 1.00 50.04 H new ATOM 0 HE3 TRP A 57 3.668 5.030 5.261 1.00 21.43 H new ATOM 0 HZ2 TRP A 57 3.693 0.091 5.770 1.00 64.43 H new ATOM 0 HZ3 TRP A 57 4.302 3.575 3.389 1.00 61.44 H new ATOM 0 HH2 TRP A 57 4.319 1.139 3.646 1.00 31.45 H new ATOM 953 N ILE A 58 0.095 4.876 6.169 1.00 30.44 N ATOM 954 CA ILE A 58 -0.475 4.736 4.847 1.00 61.15 C ATOM 955 C ILE A 58 -1.472 5.856 4.621 1.00 12.01 C ATOM 956 O ILE A 58 -1.552 6.427 3.535 1.00 74.32 O ATOM 957 CB ILE A 58 -1.149 3.353 4.643 1.00 54.33 C ATOM 958 CG1 ILE A 58 -0.104 2.237 4.609 1.00 32.52 C ATOM 959 CG2 ILE A 58 -1.964 3.337 3.381 1.00 5.04 C ATOM 960 CD1 ILE A 58 0.861 2.353 3.442 1.00 14.20 C ATOM 0 H ILE A 58 -0.219 4.173 6.838 1.00 30.44 H new ATOM 0 HA ILE A 58 0.331 4.800 4.116 1.00 61.15 H new ATOM 0 HB ILE A 58 -1.814 3.179 5.489 1.00 54.33 H new ATOM 0 HG12 ILE A 58 0.461 2.249 5.541 1.00 32.52 H new ATOM 0 HG13 ILE A 58 -0.612 1.274 4.557 1.00 32.52 H new ATOM 0 HG21 ILE A 58 -2.427 2.358 3.259 1.00 5.04 H new ATOM 0 HG22 ILE A 58 -2.740 4.100 3.439 1.00 5.04 H new ATOM 0 HG23 ILE A 58 -1.317 3.541 2.528 1.00 5.04 H new ATOM 0 HD11 ILE A 58 1.576 1.531 3.478 1.00 14.20 H new ATOM 0 HD12 ILE A 58 0.306 2.311 2.505 1.00 14.20 H new ATOM 0 HD13 ILE A 58 1.395 3.301 3.505 1.00 14.20 H new ATOM 972 N GLN A 59 -2.221 6.177 5.657 1.00 31.42 N ATOM 973 CA GLN A 59 -3.108 7.304 5.609 1.00 51.44 C ATOM 974 C GLN A 59 -2.313 8.566 5.390 1.00 64.24 C ATOM 975 O GLN A 59 -2.642 9.329 4.541 1.00 62.21 O ATOM 976 CB GLN A 59 -3.983 7.406 6.854 1.00 64.01 C ATOM 977 CG GLN A 59 -5.000 6.284 6.991 1.00 45.33 C ATOM 978 CD GLN A 59 -5.949 6.233 5.808 1.00 75.43 C ATOM 979 OE1 GLN A 59 -6.995 6.880 5.807 1.00 5.33 O ATOM 980 NE2 GLN A 59 -5.613 5.454 4.813 1.00 74.00 N ATOM 0 H GLN A 59 -2.227 5.667 6.541 1.00 31.42 H new ATOM 0 HA GLN A 59 -3.789 7.163 4.770 1.00 51.44 H new ATOM 0 HB2 GLN A 59 -3.342 7.411 7.736 1.00 64.01 H new ATOM 0 HB3 GLN A 59 -4.510 8.360 6.837 1.00 64.01 H new ATOM 0 HG2 GLN A 59 -4.479 5.331 7.080 1.00 45.33 H new ATOM 0 HG3 GLN A 59 -5.571 6.422 7.909 1.00 45.33 H new ATOM 0 HE21 GLN A 59 -4.738 4.932 4.847 1.00 74.00 H new ATOM 0 HE22 GLN A 59 -6.226 5.369 4.002 1.00 74.00 H new ATOM 989 N GLU A 60 -1.228 8.733 6.141 1.00 11.02 N ATOM 990 CA GLU A 60 -0.326 9.881 5.972 1.00 3.41 C ATOM 991 C GLU A 60 0.218 9.916 4.532 1.00 62.51 C ATOM 992 O GLU A 60 0.346 10.985 3.927 1.00 54.03 O ATOM 993 CB GLU A 60 0.837 9.805 6.970 1.00 75.10 C ATOM 994 CG GLU A 60 0.418 9.804 8.436 1.00 24.11 C ATOM 995 CD GLU A 60 -0.296 11.066 8.850 1.00 25.43 C ATOM 996 OE1 GLU A 60 -1.545 11.130 8.750 1.00 40.34 O ATOM 997 OE2 GLU A 60 0.378 12.011 9.307 1.00 74.41 O ATOM 0 H GLU A 60 -0.946 8.087 6.878 1.00 11.02 H new ATOM 0 HA GLU A 60 -0.889 10.795 6.164 1.00 3.41 H new ATOM 0 HB2 GLU A 60 1.412 8.901 6.770 1.00 75.10 H new ATOM 0 HB3 GLU A 60 1.503 10.651 6.797 1.00 75.10 H new ATOM 0 HG2 GLU A 60 -0.232 8.949 8.621 1.00 24.11 H new ATOM 0 HG3 GLU A 60 1.302 9.673 9.060 1.00 24.11 H new ATOM 1004 N TYR A 61 0.546 8.733 4.003 1.00 52.21 N ATOM 1005 CA TYR A 61 0.982 8.562 2.615 1.00 45.33 C ATOM 1006 C TYR A 61 -0.062 9.119 1.645 1.00 64.40 C ATOM 1007 O TYR A 61 0.248 9.933 0.759 1.00 74.01 O ATOM 1008 CB TYR A 61 1.241 7.047 2.312 1.00 63.50 C ATOM 1009 CG TYR A 61 1.456 6.739 0.839 1.00 2.04 C ATOM 1010 CD1 TYR A 61 2.571 7.201 0.144 1.00 74.03 C ATOM 1011 CD2 TYR A 61 0.507 6.018 0.143 1.00 44.24 C ATOM 1012 CE1 TYR A 61 2.720 6.934 -1.209 1.00 51.01 C ATOM 1013 CE2 TYR A 61 0.637 5.755 -1.193 1.00 1.23 C ATOM 1014 CZ TYR A 61 1.745 6.211 -1.873 1.00 23.33 C ATOM 1015 OH TYR A 61 1.875 5.950 -3.226 1.00 11.13 O ATOM 0 H TYR A 61 0.516 7.861 4.531 1.00 52.21 H new ATOM 0 HA TYR A 61 1.910 9.116 2.478 1.00 45.33 H new ATOM 0 HB2 TYR A 61 2.116 6.719 2.873 1.00 63.50 H new ATOM 0 HB3 TYR A 61 0.394 6.465 2.675 1.00 63.50 H new ATOM 0 HD1 TYR A 61 3.326 7.772 0.663 1.00 74.03 H new ATOM 0 HD2 TYR A 61 -0.363 5.651 0.668 1.00 44.24 H new ATOM 0 HE1 TYR A 61 3.591 7.288 -1.740 1.00 51.01 H new ATOM 0 HE2 TYR A 61 -0.125 5.193 -1.712 1.00 1.23 H new ATOM 0 HH TYR A 61 1.104 5.430 -3.535 1.00 11.13 H new ATOM 1025 N LEU A 62 -1.274 8.679 1.828 1.00 74.12 N ATOM 1026 CA LEU A 62 -2.379 9.041 0.994 1.00 71.02 C ATOM 1027 C LEU A 62 -2.863 10.446 1.217 1.00 12.11 C ATOM 1028 O LEU A 62 -3.184 11.131 0.269 1.00 40.23 O ATOM 1029 CB LEU A 62 -3.438 8.003 1.119 1.00 10.31 C ATOM 1030 CG LEU A 62 -2.979 6.697 0.508 1.00 53.23 C ATOM 1031 CD1 LEU A 62 -3.739 5.562 1.020 1.00 72.12 C ATOM 1032 CD2 LEU A 62 -3.078 6.743 -1.004 1.00 25.22 C ATOM 0 H LEU A 62 -1.525 8.041 2.583 1.00 74.12 H new ATOM 0 HA LEU A 62 -2.046 9.061 -0.044 1.00 71.02 H new ATOM 0 HB2 LEU A 62 -3.685 7.852 2.170 1.00 10.31 H new ATOM 0 HB3 LEU A 62 -4.348 8.342 0.624 1.00 10.31 H new ATOM 0 HG LEU A 62 -1.936 6.562 0.793 1.00 53.23 H new ATOM 0 HD11 LEU A 62 -3.378 4.644 0.556 1.00 72.12 H new ATOM 0 HD12 LEU A 62 -3.612 5.497 2.101 1.00 72.12 H new ATOM 0 HD13 LEU A 62 -4.795 5.696 0.786 1.00 72.12 H new ATOM 0 HD21 LEU A 62 -2.742 5.793 -1.420 1.00 25.22 H new ATOM 0 HD22 LEU A 62 -4.113 6.921 -1.296 1.00 25.22 H new ATOM 0 HD23 LEU A 62 -2.450 7.548 -1.385 1.00 25.22 H new ATOM 1044 N GLU A 63 -2.889 10.886 2.463 1.00 41.52 N ATOM 1045 CA GLU A 63 -3.234 12.277 2.770 1.00 1.41 C ATOM 1046 C GLU A 63 -2.297 13.192 2.011 1.00 41.51 C ATOM 1047 O GLU A 63 -2.739 14.104 1.308 1.00 15.42 O ATOM 1048 CB GLU A 63 -3.127 12.571 4.277 1.00 33.12 C ATOM 1049 CG GLU A 63 -4.147 11.849 5.142 1.00 4.35 C ATOM 1050 CD GLU A 63 -5.556 12.248 4.824 1.00 50.03 C ATOM 1051 OE1 GLU A 63 -6.004 13.313 5.299 1.00 32.03 O ATOM 1052 OE2 GLU A 63 -6.247 11.518 4.105 1.00 14.45 O ATOM 0 H GLU A 63 -2.678 10.311 3.278 1.00 41.52 H new ATOM 0 HA GLU A 63 -4.268 12.449 2.470 1.00 1.41 H new ATOM 0 HB2 GLU A 63 -2.127 12.299 4.616 1.00 33.12 H new ATOM 0 HB3 GLU A 63 -3.235 13.644 4.432 1.00 33.12 H new ATOM 0 HG2 GLU A 63 -4.038 10.773 5.005 1.00 4.35 H new ATOM 0 HG3 GLU A 63 -3.942 12.059 6.192 1.00 4.35 H new ATOM 1059 N LYS A 64 -1.014 12.891 2.124 1.00 12.13 N ATOM 1060 CA LYS A 64 0.048 13.596 1.435 1.00 4.32 C ATOM 1061 C LYS A 64 -0.219 13.636 -0.071 1.00 13.23 C ATOM 1062 O LYS A 64 -0.563 14.673 -0.623 1.00 31.55 O ATOM 1063 CB LYS A 64 1.355 12.848 1.667 1.00 32.41 C ATOM 1064 CG LYS A 64 2.564 13.421 0.962 1.00 45.34 C ATOM 1065 CD LYS A 64 3.075 14.708 1.613 1.00 72.42 C ATOM 1066 CE LYS A 64 3.568 14.468 3.041 1.00 64.24 C ATOM 1067 NZ LYS A 64 4.087 15.701 3.660 1.00 2.14 N ATOM 0 H LYS A 64 -0.676 12.130 2.713 1.00 12.13 H new ATOM 0 HA LYS A 64 0.101 14.615 1.817 1.00 4.32 H new ATOM 0 HB2 LYS A 64 1.556 12.826 2.738 1.00 32.41 H new ATOM 0 HB3 LYS A 64 1.224 11.814 1.346 1.00 32.41 H new ATOM 0 HG2 LYS A 64 3.363 12.679 0.959 1.00 45.34 H new ATOM 0 HG3 LYS A 64 2.311 13.621 -0.079 1.00 45.34 H new ATOM 0 HD2 LYS A 64 3.886 15.121 1.013 1.00 72.42 H new ATOM 0 HD3 LYS A 64 2.277 15.451 1.624 1.00 72.42 H new ATOM 0 HE2 LYS A 64 2.751 14.075 3.646 1.00 64.24 H new ATOM 0 HE3 LYS A 64 4.351 13.710 3.032 1.00 64.24 H new ATOM 0 HZ1 LYS A 64 4.411 15.495 4.627 1.00 2.14 H new ATOM 0 HZ2 LYS A 64 4.884 16.063 3.098 1.00 2.14 H new ATOM 0 HZ3 LYS A 64 3.333 16.417 3.693 1.00 2.14 H new ATOM 1081 N ALA A 65 -0.078 12.476 -0.699 1.00 4.20 N ATOM 1082 CA ALA A 65 -0.228 12.307 -2.152 1.00 21.41 C ATOM 1083 C ALA A 65 -1.583 12.775 -2.704 1.00 11.03 C ATOM 1084 O ALA A 65 -1.656 13.264 -3.828 1.00 62.43 O ATOM 1085 CB ALA A 65 0.015 10.858 -2.542 1.00 22.24 C ATOM 0 H ALA A 65 0.147 11.608 -0.212 1.00 4.20 H new ATOM 0 HA ALA A 65 0.524 12.954 -2.603 1.00 21.41 H new ATOM 0 HB1 ALA A 65 -0.099 10.747 -3.620 1.00 22.24 H new ATOM 0 HB2 ALA A 65 1.025 10.568 -2.252 1.00 22.24 H new ATOM 0 HB3 ALA A 65 -0.706 10.218 -2.033 1.00 22.24 H new ATOM 1091 N LEU A 66 -2.644 12.630 -1.942 1.00 22.12 N ATOM 1092 CA LEU A 66 -3.941 13.030 -2.445 1.00 2.34 C ATOM 1093 C LEU A 66 -4.212 14.520 -2.247 1.00 61.01 C ATOM 1094 O LEU A 66 -5.008 15.108 -2.969 1.00 63.51 O ATOM 1095 CB LEU A 66 -5.081 12.157 -1.904 1.00 63.44 C ATOM 1096 CG LEU A 66 -5.009 10.652 -2.250 1.00 13.14 C ATOM 1097 CD1 LEU A 66 -6.189 9.903 -1.664 1.00 74.04 C ATOM 1098 CD2 LEU A 66 -4.937 10.432 -3.756 1.00 10.32 C ATOM 0 H LEU A 66 -2.639 12.249 -0.996 1.00 22.12 H new ATOM 0 HA LEU A 66 -3.909 12.861 -3.521 1.00 2.34 H new ATOM 0 HB2 LEU A 66 -5.106 12.259 -0.819 1.00 63.44 H new ATOM 0 HB3 LEU A 66 -6.024 12.551 -2.283 1.00 63.44 H new ATOM 0 HG LEU A 66 -4.095 10.258 -1.806 1.00 13.14 H new ATOM 0 HD11 LEU A 66 -6.114 8.847 -1.922 1.00 74.04 H new ATOM 0 HD12 LEU A 66 -6.187 10.013 -0.580 1.00 74.04 H new ATOM 0 HD13 LEU A 66 -7.116 10.310 -2.068 1.00 74.04 H new ATOM 0 HD21 LEU A 66 -4.887 9.364 -3.966 1.00 10.32 H new ATOM 0 HD22 LEU A 66 -5.824 10.854 -4.228 1.00 10.32 H new ATOM 0 HD23 LEU A 66 -4.048 10.921 -4.153 1.00 10.32 H new ATOM 1110 N ASN A 67 -3.549 15.135 -1.281 1.00 15.51 N ATOM 1111 CA ASN A 67 -3.704 16.584 -1.073 1.00 53.25 C ATOM 1112 C ASN A 67 -2.685 17.297 -1.981 1.00 5.32 C ATOM 1113 O ASN A 67 -2.814 18.478 -2.295 1.00 23.22 O ATOM 1114 CB ASN A 67 -3.457 16.931 0.419 1.00 63.11 C ATOM 1115 CG ASN A 67 -3.884 18.343 0.883 1.00 30.33 C ATOM 1116 OD1 ASN A 67 -4.258 18.515 2.043 1.00 11.35 O ATOM 1117 ND2 ASN A 67 -3.847 19.332 0.029 1.00 73.44 N ATOM 0 H ASN A 67 -2.908 14.674 -0.635 1.00 15.51 H new ATOM 0 HA ASN A 67 -4.714 16.909 -1.324 1.00 53.25 H new ATOM 0 HB2 ASN A 67 -3.983 16.198 1.031 1.00 63.11 H new ATOM 0 HB3 ASN A 67 -2.393 16.812 0.624 1.00 63.11 H new ATOM 0 HD21 ASN A 67 -4.131 20.268 0.319 1.00 73.44 H new ATOM 0 HD22 ASN A 67 -3.534 19.168 -0.928 1.00 73.44 H new ATOM 1124 N LYS A 68 -1.681 16.547 -2.381 1.00 21.24 N ATOM 1125 CA LYS A 68 -0.630 16.999 -3.267 1.00 3.52 C ATOM 1126 C LYS A 68 -1.182 17.169 -4.680 1.00 44.51 C ATOM 1127 O LYS A 68 -1.192 16.190 -5.457 1.00 38.28 O ATOM 1128 CB LYS A 68 0.479 15.956 -3.260 1.00 73.30 C ATOM 1129 CG LYS A 68 1.705 16.284 -4.081 1.00 52.13 C ATOM 1130 CD LYS A 68 2.682 15.146 -3.975 1.00 13.43 C ATOM 1131 CE LYS A 68 3.944 15.385 -4.772 1.00 34.01 C ATOM 1132 NZ LYS A 68 4.874 14.240 -4.660 1.00 12.34 N ATOM 1133 OXT LYS A 68 -1.630 18.277 -5.019 1.00 38.28 O ATOM 0 H LYS A 68 -1.570 15.576 -2.090 1.00 21.24 H new ATOM 0 HA LYS A 68 -0.240 17.960 -2.932 1.00 3.52 H new ATOM 0 HB2 LYS A 68 0.790 15.793 -2.228 1.00 73.30 H new ATOM 0 HB3 LYS A 68 0.066 15.014 -3.621 1.00 73.30 H new ATOM 0 HG2 LYS A 68 1.428 16.447 -5.123 1.00 52.13 H new ATOM 0 HG3 LYS A 68 2.162 17.207 -3.724 1.00 52.13 H new ATOM 0 HD2 LYS A 68 2.942 14.992 -2.928 1.00 13.43 H new ATOM 0 HD3 LYS A 68 2.205 14.230 -4.323 1.00 13.43 H new ATOM 0 HE2 LYS A 68 3.690 15.549 -5.819 1.00 34.01 H new ATOM 0 HE3 LYS A 68 4.435 16.291 -4.417 1.00 34.01 H new ATOM 0 HZ1 LYS A 68 5.731 14.433 -5.217 1.00 12.34 H new ATOM 0 HZ2 LYS A 68 5.134 14.100 -3.663 1.00 12.34 H new ATOM 0 HZ3 LYS A 68 4.412 13.381 -5.021 1.00 12.34 H new TER 1147 LYS A 68