USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 73 SER OG : rot -71:sc= -0.191 USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.598 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.0129 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.06) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -121:sc= 0 (180deg=-1.86) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -35:sc= -1.26 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0959) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0938 USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.346 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= 0.0478 (180deg=-0.489) USER MOD Single : A 39 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.1) USER MOD Single : A 48 GLN : amide:sc= -0.346 K(o=-0.35,f=-2.8!) USER MOD Single : A 49 GLN : amide:sc= -3.25 X(o=-3.3,f=-3.1) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.256 (180deg=-1.4!) USER MOD Single : A 57 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= -2.66 (180deg=-2.83) USER MOD Single : A 76 HIS : no HD1:sc= -0.0779 K(o=-0.078,f=-1.4) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.0017) USER MOD Single : A 96 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1.7) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.235 17.841 -2.591 1.00 22.13 N ATOM 2 CA GLY A 1 -18.853 18.199 -2.334 1.00 41.04 C ATOM 3 C GLY A 1 -18.510 19.588 -2.835 1.00 21.03 C ATOM 4 O GLY A 1 -18.824 19.939 -3.973 1.00 63.51 O ATOM 0 H1 GLY A 1 -20.418 16.883 -2.230 1.00 22.13 H new ATOM 0 H2 GLY A 1 -20.864 18.518 -2.113 1.00 22.13 H new ATOM 0 H3 GLY A 1 -20.415 17.865 -3.615 1.00 22.13 H new ATOM 0 HA2 GLY A 1 -18.660 18.145 -1.263 1.00 41.04 H new ATOM 0 HA3 GLY A 1 -18.198 17.471 -2.813 1.00 41.04 H new ATOM 8 N SER A 2 -17.867 20.381 -1.984 1.00 51.52 N ATOM 9 CA SER A 2 -17.487 21.742 -2.345 1.00 41.00 C ATOM 10 C SER A 2 -15.983 21.946 -2.186 1.00 74.11 C ATOM 11 O SER A 2 -15.538 22.920 -1.578 1.00 74.34 O ATOM 12 CB SER A 2 -18.245 22.752 -1.480 1.00 4.55 C ATOM 13 OG SER A 2 -19.593 22.872 -1.901 1.00 72.32 O ATOM 0 H SER A 2 -17.598 20.105 -1.040 1.00 51.52 H new ATOM 0 HA SER A 2 -17.749 21.901 -3.391 1.00 41.00 H new ATOM 0 HB2 SER A 2 -18.213 22.439 -0.437 1.00 4.55 H new ATOM 0 HB3 SER A 2 -17.755 23.724 -1.536 1.00 4.55 H new ATOM 0 HG SER A 2 -20.057 23.521 -1.332 1.00 72.32 H new ATOM 18 N LEU A 3 -15.206 21.021 -2.737 1.00 54.13 N ATOM 19 CA LEU A 3 -13.751 21.098 -2.658 1.00 14.11 C ATOM 20 C LEU A 3 -13.117 20.842 -4.021 1.00 35.00 C ATOM 21 O LEU A 3 -13.735 20.244 -4.903 1.00 51.04 O ATOM 22 CB LEU A 3 -13.222 20.087 -1.638 1.00 1.44 C ATOM 23 CG LEU A 3 -13.944 18.739 -1.594 1.00 70.34 C ATOM 24 CD1 LEU A 3 -15.309 18.887 -0.941 1.00 61.34 C ATOM 25 CD2 LEU A 3 -14.080 18.160 -2.994 1.00 1.33 C ATOM 0 H LEU A 3 -15.558 20.209 -3.243 1.00 54.13 H new ATOM 0 HA LEU A 3 -13.482 22.104 -2.337 1.00 14.11 H new ATOM 0 HB2 LEU A 3 -12.168 19.906 -1.849 1.00 1.44 H new ATOM 0 HB3 LEU A 3 -13.276 20.538 -0.647 1.00 1.44 H new ATOM 0 HG LEU A 3 -13.350 18.049 -0.995 1.00 70.34 H new ATOM 0 HD11 LEU A 3 -15.808 17.918 -0.918 1.00 61.34 H new ATOM 0 HD12 LEU A 3 -15.187 19.256 0.077 1.00 61.34 H new ATOM 0 HD13 LEU A 3 -15.912 19.592 -1.513 1.00 61.34 H new ATOM 0 HD21 LEU A 3 -14.596 17.201 -2.943 1.00 1.33 H new ATOM 0 HD22 LEU A 3 -14.652 18.847 -3.618 1.00 1.33 H new ATOM 0 HD23 LEU A 3 -13.090 18.016 -3.426 1.00 1.33 H new ATOM 36 N VAL A 4 -11.879 21.298 -4.187 1.00 10.32 N ATOM 37 CA VAL A 4 -11.159 21.115 -5.442 1.00 34.13 C ATOM 38 C VAL A 4 -9.890 20.298 -5.234 1.00 25.22 C ATOM 39 O VAL A 4 -9.334 20.237 -4.137 1.00 5.13 O ATOM 40 CB VAL A 4 -10.788 22.468 -6.078 1.00 75.34 C ATOM 41 CG1 VAL A 4 -11.997 23.086 -6.763 1.00 11.21 C ATOM 42 CG2 VAL A 4 -10.220 23.412 -5.028 1.00 41.40 C ATOM 0 H VAL A 4 -11.354 21.797 -3.468 1.00 10.32 H new ATOM 0 HA VAL A 4 -11.827 20.577 -6.115 1.00 34.13 H new ATOM 0 HB VAL A 4 -10.021 22.296 -6.833 1.00 75.34 H new ATOM 0 HG11 VAL A 4 -11.715 24.041 -7.206 1.00 11.21 H new ATOM 0 HG12 VAL A 4 -12.355 22.415 -7.544 1.00 11.21 H new ATOM 0 HG13 VAL A 4 -12.788 23.245 -6.030 1.00 11.21 H new ATOM 0 HG21 VAL A 4 -9.963 24.363 -5.495 1.00 41.40 H new ATOM 0 HG22 VAL A 4 -10.964 23.579 -4.249 1.00 41.40 H new ATOM 0 HG23 VAL A 4 -9.326 22.971 -4.588 1.00 41.40 H new ATOM 52 N PRO A 5 -9.417 19.653 -6.312 1.00 33.40 N ATOM 53 CA PRO A 5 -8.206 18.828 -6.272 1.00 21.33 C ATOM 54 C PRO A 5 -6.943 19.663 -6.096 1.00 45.12 C ATOM 55 O PRO A 5 -6.956 20.877 -6.296 1.00 42.14 O ATOM 56 CB PRO A 5 -8.204 18.137 -7.637 1.00 14.42 C ATOM 57 CG PRO A 5 -8.983 19.046 -8.524 1.00 30.33 C ATOM 58 CD PRO A 5 -10.029 19.681 -7.650 1.00 1.43 C ATOM 0 HA PRO A 5 -8.210 18.137 -5.429 1.00 21.33 H new ATOM 0 HB2 PRO A 5 -7.189 17.997 -8.008 1.00 14.42 H new ATOM 0 HB3 PRO A 5 -8.662 17.150 -7.581 1.00 14.42 H new ATOM 0 HG2 PRO A 5 -8.338 19.802 -8.972 1.00 30.33 H new ATOM 0 HG3 PRO A 5 -9.442 18.493 -9.343 1.00 30.33 H new ATOM 0 HD2 PRO A 5 -10.254 20.699 -7.968 1.00 1.43 H new ATOM 0 HD3 PRO A 5 -10.966 19.124 -7.675 1.00 1.43 H new ATOM 63 N ARG A 6 -5.852 19.003 -5.720 1.00 41.44 N ATOM 64 CA ARG A 6 -4.579 19.685 -5.516 1.00 64.04 C ATOM 65 C ARG A 6 -3.450 18.678 -5.312 1.00 64.24 C ATOM 66 O ARG A 6 -3.457 17.909 -4.351 1.00 3.31 O ATOM 67 CB ARG A 6 -4.666 20.621 -4.310 1.00 25.21 C ATOM 68 CG ARG A 6 -3.533 21.633 -4.242 1.00 2.30 C ATOM 69 CD ARG A 6 -3.864 22.893 -5.026 1.00 3.14 C ATOM 70 NE ARG A 6 -2.801 23.891 -4.934 1.00 71.01 N ATOM 71 CZ ARG A 6 -2.789 25.019 -5.635 1.00 71.31 C ATOM 72 NH1 ARG A 6 -3.777 25.292 -6.475 1.00 21.00 N ATOM 73 NH2 ARG A 6 -1.786 25.877 -5.496 1.00 41.13 N ATOM 0 H ARG A 6 -5.824 17.998 -5.551 1.00 41.44 H new ATOM 0 HA ARG A 6 -4.362 20.272 -6.408 1.00 64.04 H new ATOM 0 HB2 ARG A 6 -5.616 21.154 -4.342 1.00 25.21 H new ATOM 0 HB3 ARG A 6 -4.665 20.025 -3.397 1.00 25.21 H new ATOM 0 HG2 ARG A 6 -3.337 21.892 -3.201 1.00 2.30 H new ATOM 0 HG3 ARG A 6 -2.621 21.186 -4.637 1.00 2.30 H new ATOM 0 HD2 ARG A 6 -4.030 22.636 -6.072 1.00 3.14 H new ATOM 0 HD3 ARG A 6 -4.795 23.319 -4.651 1.00 3.14 H new ATOM 0 HE ARG A 6 -2.025 23.712 -4.296 1.00 71.01 H new ATOM 0 HH11 ARG A 6 -4.549 24.635 -6.585 1.00 21.00 H new ATOM 0 HH12 ARG A 6 -3.765 26.159 -7.012 1.00 21.00 H new ATOM 0 HH21 ARG A 6 -1.024 25.670 -4.851 1.00 41.13 H new ATOM 0 HH22 ARG A 6 -1.777 26.743 -6.035 1.00 41.13 H new ATOM 84 N GLY A 7 -2.481 18.690 -6.222 1.00 1.24 N ATOM 85 CA GLY A 7 -1.360 17.774 -6.125 1.00 71.41 C ATOM 86 C GLY A 7 -0.547 17.714 -7.403 1.00 70.55 C ATOM 87 O GLY A 7 -0.901 18.340 -8.402 1.00 70.53 O ATOM 0 H GLY A 7 -2.452 19.318 -7.025 1.00 1.24 H new ATOM 0 HA2 GLY A 7 -0.715 18.081 -5.302 1.00 71.41 H new ATOM 0 HA3 GLY A 7 -1.729 16.777 -5.886 1.00 71.41 H new ATOM 91 N SER A 8 0.547 16.959 -7.371 1.00 35.24 N ATOM 92 CA SER A 8 1.416 16.824 -8.535 1.00 12.01 C ATOM 93 C SER A 8 1.278 15.437 -9.158 1.00 61.43 C ATOM 94 O SER A 8 1.395 15.276 -10.372 1.00 71.45 O ATOM 95 CB SER A 8 2.872 17.076 -8.142 1.00 23.02 C ATOM 96 OG SER A 8 3.003 18.289 -7.421 1.00 73.34 O ATOM 0 H SER A 8 0.852 16.432 -6.553 1.00 35.24 H new ATOM 0 HA SER A 8 1.112 17.567 -9.273 1.00 12.01 H new ATOM 0 HB2 SER A 8 3.237 16.247 -7.535 1.00 23.02 H new ATOM 0 HB3 SER A 8 3.493 17.113 -9.037 1.00 23.02 H new ATOM 0 HG SER A 8 3.943 18.426 -7.180 1.00 73.34 H new ATOM 101 N MET A 9 1.028 14.440 -8.315 1.00 62.20 N ATOM 102 CA MET A 9 0.873 13.067 -8.783 1.00 73.50 C ATOM 103 C MET A 9 -0.575 12.606 -8.646 1.00 64.51 C ATOM 104 O MET A 9 -1.208 12.820 -7.612 1.00 32.22 O ATOM 105 CB MET A 9 1.794 12.132 -7.997 1.00 75.24 C ATOM 106 CG MET A 9 3.004 12.832 -7.400 1.00 40.54 C ATOM 107 SD MET A 9 4.083 13.545 -8.655 1.00 45.31 S ATOM 108 CE MET A 9 5.358 14.276 -7.631 1.00 21.52 C ATOM 0 H MET A 9 0.929 14.557 -7.307 1.00 62.20 H new ATOM 0 HA MET A 9 1.148 13.035 -9.837 1.00 73.50 H new ATOM 0 HB2 MET A 9 1.224 11.663 -7.195 1.00 75.24 H new ATOM 0 HB3 MET A 9 2.135 11.333 -8.655 1.00 75.24 H new ATOM 0 HG2 MET A 9 2.667 13.620 -6.726 1.00 40.54 H new ATOM 0 HG3 MET A 9 3.571 12.120 -6.800 1.00 40.54 H new ATOM 0 HE1 MET A 9 5.409 15.348 -7.823 1.00 21.52 H new ATOM 0 HE2 MET A 9 5.122 14.107 -6.580 1.00 21.52 H new ATOM 0 HE3 MET A 9 6.319 13.819 -7.865 1.00 21.52 H new ATOM 116 N GLN A 10 -1.092 11.975 -9.695 1.00 71.25 N ATOM 117 CA GLN A 10 -2.465 11.485 -9.691 1.00 20.54 C ATOM 118 C GLN A 10 -2.520 10.013 -10.085 1.00 72.10 C ATOM 119 O GLN A 10 -1.746 9.557 -10.926 1.00 41.42 O ATOM 120 CB GLN A 10 -3.327 12.314 -10.645 1.00 42.43 C ATOM 121 CG GLN A 10 -3.308 13.804 -10.345 1.00 71.13 C ATOM 122 CD GLN A 10 -3.457 14.653 -11.591 1.00 53.24 C ATOM 123 OE1 GLN A 10 -2.475 14.972 -12.260 1.00 25.05 O ATOM 124 NE2 GLN A 10 -4.692 15.023 -11.911 1.00 71.45 N ATOM 0 H GLN A 10 -0.581 11.791 -10.558 1.00 71.25 H new ATOM 0 HA GLN A 10 -2.857 11.585 -8.679 1.00 20.54 H new ATOM 0 HB2 GLN A 10 -2.981 12.153 -11.666 1.00 42.43 H new ATOM 0 HB3 GLN A 10 -4.355 11.955 -10.597 1.00 42.43 H new ATOM 0 HG2 GLN A 10 -4.114 14.041 -9.650 1.00 71.13 H new ATOM 0 HG3 GLN A 10 -2.373 14.058 -9.847 1.00 71.13 H new ATOM 0 HE21 GLN A 10 -5.478 14.736 -11.328 1.00 71.45 H new ATOM 0 HE22 GLN A 10 -4.855 15.594 -12.740 1.00 71.45 H new ATOM 131 N ILE A 11 -3.439 9.275 -9.471 1.00 45.03 N ATOM 132 CA ILE A 11 -3.594 7.855 -9.759 1.00 40.22 C ATOM 133 C ILE A 11 -5.051 7.424 -9.630 1.00 23.45 C ATOM 134 O ILE A 11 -5.902 8.197 -9.189 1.00 62.12 O ATOM 135 CB ILE A 11 -2.731 6.992 -8.820 1.00 62.23 C ATOM 136 CG1 ILE A 11 -2.084 5.844 -9.597 1.00 35.14 C ATOM 137 CG2 ILE A 11 -3.572 6.454 -7.672 1.00 23.12 C ATOM 138 CD1 ILE A 11 -1.307 4.885 -8.724 1.00 72.52 C ATOM 0 H ILE A 11 -4.087 9.637 -8.771 1.00 45.03 H new ATOM 0 HA ILE A 11 -3.262 7.704 -10.786 1.00 40.22 H new ATOM 0 HB ILE A 11 -1.940 7.615 -8.404 1.00 62.23 H new ATOM 0 HG12 ILE A 11 -2.860 5.292 -10.127 1.00 35.14 H new ATOM 0 HG13 ILE A 11 -1.416 6.258 -10.352 1.00 35.14 H new ATOM 0 HG21 ILE A 11 -2.948 5.846 -7.017 1.00 23.12 H new ATOM 0 HG22 ILE A 11 -3.989 7.286 -7.105 1.00 23.12 H new ATOM 0 HG23 ILE A 11 -4.383 5.843 -8.070 1.00 23.12 H new ATOM 0 HD11 ILE A 11 -0.876 4.097 -9.342 1.00 72.52 H new ATOM 0 HD12 ILE A 11 -0.508 5.423 -8.214 1.00 72.52 H new ATOM 0 HD13 ILE A 11 -1.975 4.442 -7.986 1.00 72.52 H new ATOM 149 N PHE A 12 -5.333 6.184 -10.018 1.00 30.24 N ATOM 150 CA PHE A 12 -6.687 5.650 -9.945 1.00 51.43 C ATOM 151 C PHE A 12 -6.826 4.679 -8.776 1.00 54.11 C ATOM 152 O PHE A 12 -6.087 3.700 -8.676 1.00 10.30 O ATOM 153 CB PHE A 12 -7.052 4.946 -11.254 1.00 4.10 C ATOM 154 CG PHE A 12 -8.226 5.560 -11.958 1.00 12.04 C ATOM 155 CD1 PHE A 12 -8.279 6.927 -12.182 1.00 2.25 C ATOM 156 CD2 PHE A 12 -9.278 4.773 -12.397 1.00 13.42 C ATOM 157 CE1 PHE A 12 -9.360 7.495 -12.830 1.00 2.12 C ATOM 158 CE2 PHE A 12 -10.362 5.335 -13.045 1.00 11.13 C ATOM 159 CZ PHE A 12 -10.402 6.698 -13.263 1.00 13.53 C ATOM 0 H PHE A 12 -4.641 5.531 -10.386 1.00 30.24 H new ATOM 0 HA PHE A 12 -7.371 6.483 -9.786 1.00 51.43 H new ATOM 0 HB2 PHE A 12 -6.189 4.964 -11.920 1.00 4.10 H new ATOM 0 HB3 PHE A 12 -7.271 3.899 -11.045 1.00 4.10 H new ATOM 0 HD1 PHE A 12 -7.467 7.555 -11.847 1.00 2.25 H new ATOM 0 HD2 PHE A 12 -9.251 3.706 -12.231 1.00 13.42 H new ATOM 0 HE1 PHE A 12 -9.390 8.561 -12.998 1.00 2.12 H new ATOM 0 HE2 PHE A 12 -11.176 4.709 -13.380 1.00 11.13 H new ATOM 0 HZ PHE A 12 -11.246 7.140 -13.771 1.00 13.53 H new ATOM 168 N VAL A 13 -7.781 4.957 -7.893 1.00 0.30 N ATOM 169 CA VAL A 13 -8.019 4.110 -6.732 1.00 50.35 C ATOM 170 C VAL A 13 -9.498 3.767 -6.595 1.00 51.42 C ATOM 171 O VAL A 13 -10.361 4.638 -6.703 1.00 52.54 O ATOM 172 CB VAL A 13 -7.538 4.786 -5.434 1.00 23.23 C ATOM 173 CG1 VAL A 13 -7.821 3.899 -4.232 1.00 63.13 C ATOM 174 CG2 VAL A 13 -6.057 5.120 -5.525 1.00 41.31 C ATOM 0 H VAL A 13 -8.402 5.763 -7.961 1.00 0.30 H new ATOM 0 HA VAL A 13 -7.449 3.194 -6.888 1.00 50.35 H new ATOM 0 HB VAL A 13 -8.090 5.717 -5.304 1.00 23.23 H new ATOM 0 HG11 VAL A 13 -7.474 4.394 -3.325 1.00 63.13 H new ATOM 0 HG12 VAL A 13 -8.893 3.717 -4.159 1.00 63.13 H new ATOM 0 HG13 VAL A 13 -7.299 2.949 -4.350 1.00 63.13 H new ATOM 0 HG21 VAL A 13 -5.734 5.597 -4.600 1.00 41.31 H new ATOM 0 HG22 VAL A 13 -5.486 4.204 -5.680 1.00 41.31 H new ATOM 0 HG23 VAL A 13 -5.888 5.799 -6.361 1.00 41.31 H new ATOM 184 N LYS A 14 -9.784 2.491 -6.357 1.00 72.35 N ATOM 185 CA LYS A 14 -11.159 2.030 -6.202 1.00 23.01 C ATOM 186 C LYS A 14 -11.378 1.423 -4.821 1.00 70.21 C ATOM 187 O LYS A 14 -10.701 0.469 -4.435 1.00 21.35 O ATOM 188 CB LYS A 14 -11.498 1.002 -7.284 1.00 60.14 C ATOM 189 CG LYS A 14 -11.681 1.608 -8.664 1.00 51.54 C ATOM 190 CD LYS A 14 -13.094 2.131 -8.860 1.00 44.41 C ATOM 191 CE LYS A 14 -13.127 3.288 -9.847 1.00 33.51 C ATOM 192 NZ LYS A 14 -12.791 2.849 -11.229 1.00 32.54 N ATOM 0 H LYS A 14 -9.081 1.757 -6.267 1.00 72.35 H new ATOM 0 HA LYS A 14 -11.819 2.891 -6.308 1.00 23.01 H new ATOM 0 HB2 LYS A 14 -10.704 0.257 -7.326 1.00 60.14 H new ATOM 0 HB3 LYS A 14 -12.412 0.479 -7.002 1.00 60.14 H new ATOM 0 HG2 LYS A 14 -10.969 2.421 -8.803 1.00 51.54 H new ATOM 0 HG3 LYS A 14 -11.461 0.858 -9.424 1.00 51.54 H new ATOM 0 HD2 LYS A 14 -13.735 1.326 -9.220 1.00 44.41 H new ATOM 0 HD3 LYS A 14 -13.499 2.457 -7.902 1.00 44.41 H new ATOM 0 HE2 LYS A 14 -14.118 3.742 -9.841 1.00 33.51 H new ATOM 0 HE3 LYS A 14 -12.423 4.057 -9.529 1.00 33.51 H new ATOM 0 HZ1 LYS A 14 -12.825 3.667 -11.871 1.00 32.54 H new ATOM 0 HZ2 LYS A 14 -11.835 2.439 -11.240 1.00 32.54 H new ATOM 0 HZ3 LYS A 14 -13.478 2.134 -11.543 1.00 32.54 H new ATOM 202 N THR A 15 -12.330 1.981 -4.078 1.00 45.10 N ATOM 203 CA THR A 15 -12.638 1.494 -2.739 1.00 2.33 C ATOM 204 C THR A 15 -13.465 0.215 -2.796 1.00 1.34 C ATOM 205 O THR A 15 -13.738 -0.312 -3.876 1.00 54.23 O ATOM 206 CB THR A 15 -13.403 2.551 -1.920 1.00 52.43 C ATOM 207 OG1 THR A 15 -14.724 2.717 -2.447 1.00 54.41 O ATOM 208 CG2 THR A 15 -12.673 3.884 -1.940 1.00 63.50 C ATOM 0 H THR A 15 -12.900 2.770 -4.381 1.00 45.10 H new ATOM 0 HA THR A 15 -11.686 1.286 -2.251 1.00 2.33 H new ATOM 0 HB THR A 15 -13.464 2.204 -0.888 1.00 52.43 H new ATOM 0 HG1 THR A 15 -14.703 2.615 -3.421 1.00 54.41 H new ATOM 0 HG21 THR A 15 -13.232 4.614 -1.355 1.00 63.50 H new ATOM 0 HG22 THR A 15 -11.679 3.761 -1.511 1.00 63.50 H new ATOM 0 HG23 THR A 15 -12.584 4.235 -2.968 1.00 63.50 H new ATOM 216 N LEU A 16 -13.863 -0.280 -1.630 1.00 45.23 N ATOM 217 CA LEU A 16 -14.660 -1.499 -1.547 1.00 63.11 C ATOM 218 C LEU A 16 -16.117 -1.221 -1.903 1.00 52.32 C ATOM 219 O LEU A 16 -16.840 -2.114 -2.347 1.00 24.15 O ATOM 220 CB LEU A 16 -14.571 -2.095 -0.141 1.00 14.15 C ATOM 221 CG LEU A 16 -13.162 -2.266 0.428 1.00 13.30 C ATOM 222 CD1 LEU A 16 -13.174 -2.106 1.940 1.00 55.33 C ATOM 223 CD2 LEU A 16 -12.591 -3.622 0.038 1.00 3.04 C ATOM 0 H LEU A 16 -13.647 0.144 -0.728 1.00 45.23 H new ATOM 0 HA LEU A 16 -14.260 -2.216 -2.264 1.00 63.11 H new ATOM 0 HB2 LEU A 16 -15.141 -1.460 0.538 1.00 14.15 H new ATOM 0 HB3 LEU A 16 -15.058 -3.070 -0.150 1.00 14.15 H new ATOM 0 HG LEU A 16 -12.524 -1.490 0.006 1.00 13.30 H new ATOM 0 HD11 LEU A 16 -12.163 -2.231 2.327 1.00 55.33 H new ATOM 0 HD12 LEU A 16 -13.541 -1.113 2.198 1.00 55.33 H new ATOM 0 HD13 LEU A 16 -13.827 -2.860 2.380 1.00 55.33 H new ATOM 0 HD21 LEU A 16 -11.588 -3.727 0.451 1.00 3.04 H new ATOM 0 HD22 LEU A 16 -13.230 -4.413 0.431 1.00 3.04 H new ATOM 0 HD23 LEU A 16 -12.546 -3.699 -1.048 1.00 3.04 H new ATOM 234 N THR A 17 -16.541 0.024 -1.708 1.00 54.42 N ATOM 235 CA THR A 17 -17.911 0.420 -2.010 1.00 50.14 C ATOM 236 C THR A 17 -18.029 0.953 -3.433 1.00 62.30 C ATOM 237 O THR A 17 -19.030 0.727 -4.110 1.00 34.44 O ATOM 238 CB THR A 17 -18.414 1.494 -1.027 1.00 2.45 C ATOM 239 OG1 THR A 17 -19.824 1.684 -1.189 1.00 74.51 O ATOM 240 CG2 THR A 17 -17.691 2.814 -1.252 1.00 34.32 C ATOM 0 H THR A 17 -15.955 0.775 -1.342 1.00 54.42 H new ATOM 0 HA THR A 17 -18.528 -0.473 -1.908 1.00 50.14 H new ATOM 0 HB THR A 17 -18.208 1.152 -0.013 1.00 2.45 H new ATOM 0 HG1 THR A 17 -20.136 2.367 -0.560 1.00 74.51 H new ATOM 0 HG21 THR A 17 -18.063 3.557 -0.547 1.00 34.32 H new ATOM 0 HG22 THR A 17 -16.621 2.673 -1.100 1.00 34.32 H new ATOM 0 HG23 THR A 17 -17.871 3.158 -2.270 1.00 34.32 H new ATOM 248 N GLY A 18 -16.997 1.662 -3.881 1.00 3.11 N ATOM 249 CA GLY A 18 -17.005 2.216 -5.222 1.00 12.21 C ATOM 250 C GLY A 18 -16.405 3.607 -5.279 1.00 60.43 C ATOM 251 O GLY A 18 -16.151 4.139 -6.360 1.00 75.43 O ATOM 0 H GLY A 18 -16.156 1.862 -3.339 1.00 3.11 H new ATOM 0 HA2 GLY A 18 -16.448 1.556 -5.888 1.00 12.21 H new ATOM 0 HA3 GLY A 18 -18.030 2.250 -5.591 1.00 12.21 H new ATOM 255 N LYS A 19 -16.179 4.200 -4.112 1.00 62.24 N ATOM 256 CA LYS A 19 -15.605 5.538 -4.031 1.00 32.42 C ATOM 257 C LYS A 19 -14.210 5.569 -4.644 1.00 21.52 C ATOM 258 O LYS A 19 -13.485 4.574 -4.618 1.00 61.04 O ATOM 259 CB LYS A 19 -15.543 6.001 -2.573 1.00 13.24 C ATOM 260 CG LYS A 19 -16.691 6.914 -2.176 1.00 25.44 C ATOM 261 CD LYS A 19 -18.039 6.264 -2.438 1.00 5.11 C ATOM 262 CE LYS A 19 -19.093 6.752 -1.457 1.00 4.34 C ATOM 263 NZ LYS A 19 -19.195 8.238 -1.447 1.00 11.43 N ATOM 0 H LYS A 19 -16.385 3.775 -3.208 1.00 62.24 H new ATOM 0 HA LYS A 19 -16.246 6.216 -4.595 1.00 32.42 H new ATOM 0 HB2 LYS A 19 -15.543 5.126 -1.922 1.00 13.24 H new ATOM 0 HB3 LYS A 19 -14.600 6.522 -2.406 1.00 13.24 H new ATOM 0 HG2 LYS A 19 -16.607 7.166 -1.119 1.00 25.44 H new ATOM 0 HG3 LYS A 19 -16.623 7.849 -2.733 1.00 25.44 H new ATOM 0 HD2 LYS A 19 -18.359 6.484 -3.457 1.00 5.11 H new ATOM 0 HD3 LYS A 19 -17.943 5.181 -2.361 1.00 5.11 H new ATOM 0 HE2 LYS A 19 -20.060 6.323 -1.720 1.00 4.34 H new ATOM 0 HE3 LYS A 19 -18.849 6.398 -0.455 1.00 4.34 H new ATOM 0 HZ1 LYS A 19 -20.050 8.524 -0.928 1.00 11.43 H new ATOM 0 HZ2 LYS A 19 -18.356 8.640 -0.982 1.00 11.43 H new ATOM 0 HZ3 LYS A 19 -19.250 8.589 -2.424 1.00 11.43 H new ATOM 273 N THR A 20 -13.836 6.721 -5.197 1.00 73.14 N ATOM 274 CA THR A 20 -12.528 6.881 -5.817 1.00 62.52 C ATOM 275 C THR A 20 -11.738 8.001 -5.149 1.00 24.03 C ATOM 276 O THR A 20 -12.265 9.088 -4.909 1.00 4.04 O ATOM 277 CB THR A 20 -12.652 7.184 -7.321 1.00 50.41 C ATOM 278 OG1 THR A 20 -13.627 6.318 -7.915 1.00 32.23 O ATOM 279 CG2 THR A 20 -11.314 7.004 -8.022 1.00 13.13 C ATOM 0 H THR A 20 -14.422 7.555 -5.227 1.00 73.14 H new ATOM 0 HA THR A 20 -11.999 5.937 -5.687 1.00 62.52 H new ATOM 0 HB THR A 20 -12.967 8.221 -7.436 1.00 50.41 H new ATOM 0 HG1 THR A 20 -13.702 6.517 -8.872 1.00 32.23 H new ATOM 0 HG21 THR A 20 -11.427 7.224 -9.084 1.00 13.13 H new ATOM 0 HG22 THR A 20 -10.581 7.683 -7.587 1.00 13.13 H new ATOM 0 HG23 THR A 20 -10.974 5.976 -7.898 1.00 13.13 H new ATOM 287 N ILE A 21 -10.471 7.729 -4.851 1.00 22.34 N ATOM 288 CA ILE A 21 -9.608 8.717 -4.213 1.00 54.33 C ATOM 289 C ILE A 21 -8.298 8.878 -4.978 1.00 14.03 C ATOM 290 O ILE A 21 -7.697 7.896 -5.415 1.00 3.31 O ATOM 291 CB ILE A 21 -9.295 8.331 -2.755 1.00 40.40 C ATOM 292 CG1 ILE A 21 -9.086 6.819 -2.639 1.00 72.42 C ATOM 293 CG2 ILE A 21 -10.414 8.790 -1.834 1.00 14.52 C ATOM 294 CD1 ILE A 21 -10.365 6.050 -2.389 1.00 63.02 C ATOM 0 H ILE A 21 -10.020 6.834 -5.041 1.00 22.34 H new ATOM 0 HA ILE A 21 -10.149 9.663 -4.222 1.00 54.33 H new ATOM 0 HB ILE A 21 -8.375 8.830 -2.451 1.00 40.40 H new ATOM 0 HG12 ILE A 21 -8.625 6.453 -3.556 1.00 72.42 H new ATOM 0 HG13 ILE A 21 -8.386 6.618 -1.828 1.00 72.42 H new ATOM 0 HG21 ILE A 21 -10.178 8.510 -0.807 1.00 14.52 H new ATOM 0 HG22 ILE A 21 -10.518 9.873 -1.900 1.00 14.52 H new ATOM 0 HG23 ILE A 21 -11.349 8.317 -2.134 1.00 14.52 H new ATOM 0 HD11 ILE A 21 -10.142 4.986 -2.318 1.00 63.02 H new ATOM 0 HD12 ILE A 21 -10.817 6.389 -1.457 1.00 63.02 H new ATOM 0 HD13 ILE A 21 -11.059 6.221 -3.212 1.00 63.02 H new ATOM 305 N THR A 22 -7.861 10.123 -5.134 1.00 60.42 N ATOM 306 CA THR A 22 -6.622 10.414 -5.845 1.00 32.33 C ATOM 307 C THR A 22 -5.407 10.130 -4.970 1.00 21.40 C ATOM 308 O THR A 22 -5.249 10.719 -3.899 1.00 50.13 O ATOM 309 CB THR A 22 -6.573 11.881 -6.312 1.00 33.21 C ATOM 310 OG1 THR A 22 -7.902 12.376 -6.511 1.00 73.53 O ATOM 311 CG2 THR A 22 -5.780 12.012 -7.603 1.00 53.22 C ATOM 0 H THR A 22 -8.346 10.946 -4.778 1.00 60.42 H new ATOM 0 HA THR A 22 -6.598 9.762 -6.718 1.00 32.33 H new ATOM 0 HB THR A 22 -6.078 12.469 -5.539 1.00 33.21 H new ATOM 0 HG1 THR A 22 -7.863 13.310 -6.806 1.00 73.53 H new ATOM 0 HG21 THR A 22 -5.759 13.057 -7.913 1.00 53.22 H new ATOM 0 HG22 THR A 22 -4.761 11.661 -7.441 1.00 53.22 H new ATOM 0 HG23 THR A 22 -6.251 11.412 -8.382 1.00 53.22 H new ATOM 319 N LEU A 23 -4.548 9.227 -5.431 1.00 34.43 N ATOM 320 CA LEU A 23 -3.345 8.867 -4.690 1.00 1.23 C ATOM 321 C LEU A 23 -2.095 9.374 -5.401 1.00 40.43 C ATOM 322 O LEU A 23 -2.113 9.623 -6.607 1.00 74.33 O ATOM 323 CB LEU A 23 -3.266 7.348 -4.515 1.00 25.43 C ATOM 324 CG LEU A 23 -3.647 6.812 -3.135 1.00 1.23 C ATOM 325 CD1 LEU A 23 -2.681 7.322 -2.078 1.00 20.11 C ATOM 326 CD2 LEU A 23 -5.076 7.202 -2.787 1.00 34.12 C ATOM 0 H LEU A 23 -4.663 8.731 -6.315 1.00 34.43 H new ATOM 0 HA LEU A 23 -3.398 9.338 -3.708 1.00 1.23 H new ATOM 0 HB2 LEU A 23 -3.916 6.883 -5.256 1.00 25.43 H new ATOM 0 HB3 LEU A 23 -2.248 7.029 -4.739 1.00 25.43 H new ATOM 0 HG LEU A 23 -3.584 5.724 -3.160 1.00 1.23 H new ATOM 0 HD11 LEU A 23 -2.969 6.930 -1.103 1.00 20.11 H new ATOM 0 HD12 LEU A 23 -1.671 6.991 -2.319 1.00 20.11 H new ATOM 0 HD13 LEU A 23 -2.710 8.411 -2.054 1.00 20.11 H new ATOM 0 HD21 LEU A 23 -5.330 6.812 -1.801 1.00 34.12 H new ATOM 0 HD22 LEU A 23 -5.166 8.288 -2.781 1.00 34.12 H new ATOM 0 HD23 LEU A 23 -5.758 6.786 -3.529 1.00 34.12 H new ATOM 337 N GLU A 24 -1.010 9.522 -4.648 1.00 64.23 N ATOM 338 CA GLU A 24 0.249 9.998 -5.207 1.00 25.31 C ATOM 339 C GLU A 24 1.194 8.833 -5.490 1.00 64.42 C ATOM 340 O GLU A 24 1.150 7.806 -4.813 1.00 42.23 O ATOM 341 CB GLU A 24 0.916 10.990 -4.251 1.00 43.34 C ATOM 342 CG GLU A 24 2.433 10.994 -4.339 1.00 51.14 C ATOM 343 CD GLU A 24 3.058 12.147 -3.579 1.00 72.35 C ATOM 344 OE1 GLU A 24 3.150 12.056 -2.336 1.00 70.42 O ATOM 345 OE2 GLU A 24 3.455 13.139 -4.224 1.00 43.20 O ATOM 0 H GLU A 24 -0.978 9.319 -3.649 1.00 64.23 H new ATOM 0 HA GLU A 24 0.031 10.503 -6.148 1.00 25.31 H new ATOM 0 HB2 GLU A 24 0.545 11.993 -4.465 1.00 43.34 H new ATOM 0 HB3 GLU A 24 0.620 10.752 -3.229 1.00 43.34 H new ATOM 0 HG2 GLU A 24 2.819 10.053 -3.946 1.00 51.14 H new ATOM 0 HG3 GLU A 24 2.732 11.049 -5.386 1.00 51.14 H new ATOM 350 N VAL A 25 2.048 9.002 -6.495 1.00 72.12 N ATOM 351 CA VAL A 25 3.004 7.966 -6.867 1.00 74.13 C ATOM 352 C VAL A 25 4.383 8.560 -7.132 1.00 12.35 C ATOM 353 O VAL A 25 4.504 9.718 -7.528 1.00 1.11 O ATOM 354 CB VAL A 25 2.539 7.196 -8.117 1.00 24.21 C ATOM 355 CG1 VAL A 25 3.273 5.868 -8.231 1.00 21.21 C ATOM 356 CG2 VAL A 25 1.034 6.981 -8.081 1.00 31.11 C ATOM 0 H VAL A 25 2.097 9.846 -7.066 1.00 72.12 H new ATOM 0 HA VAL A 25 3.065 7.275 -6.026 1.00 74.13 H new ATOM 0 HB VAL A 25 2.777 7.792 -8.998 1.00 24.21 H new ATOM 0 HG11 VAL A 25 2.931 5.338 -9.120 1.00 21.21 H new ATOM 0 HG12 VAL A 25 4.345 6.050 -8.307 1.00 21.21 H new ATOM 0 HG13 VAL A 25 3.070 5.263 -7.348 1.00 21.21 H new ATOM 0 HG21 VAL A 25 0.723 6.435 -8.972 1.00 31.11 H new ATOM 0 HG22 VAL A 25 0.770 6.407 -7.193 1.00 31.11 H new ATOM 0 HG23 VAL A 25 0.529 7.947 -8.052 1.00 31.11 H new ATOM 366 N GLU A 26 5.420 7.758 -6.912 1.00 55.43 N ATOM 367 CA GLU A 26 6.790 8.206 -7.127 1.00 44.40 C ATOM 368 C GLU A 26 7.780 7.074 -6.862 1.00 4.22 C ATOM 369 O GLU A 26 7.594 6.250 -5.968 1.00 51.35 O ATOM 370 CB GLU A 26 7.109 9.398 -6.222 1.00 13.52 C ATOM 371 CG GLU A 26 7.330 10.696 -6.982 1.00 14.43 C ATOM 372 CD GLU A 26 7.446 11.896 -6.063 1.00 5.12 C ATOM 373 OE1 GLU A 26 6.643 11.996 -5.113 1.00 22.43 O ATOM 374 OE2 GLU A 26 8.341 12.736 -6.296 1.00 50.41 O ATOM 0 H GLU A 26 5.337 6.795 -6.585 1.00 55.43 H new ATOM 0 HA GLU A 26 6.885 8.514 -8.168 1.00 44.40 H new ATOM 0 HB2 GLU A 26 6.291 9.536 -5.514 1.00 13.52 H new ATOM 0 HB3 GLU A 26 8.001 9.172 -5.638 1.00 13.52 H new ATOM 0 HG2 GLU A 26 8.237 10.612 -7.581 1.00 14.43 H new ATOM 0 HG3 GLU A 26 6.504 10.852 -7.675 1.00 14.43 H new ATOM 379 N PRO A 27 8.857 7.033 -7.661 1.00 42.14 N ATOM 380 CA PRO A 27 9.898 6.009 -7.533 1.00 43.12 C ATOM 381 C PRO A 27 10.724 6.176 -6.262 1.00 51.34 C ATOM 382 O PRO A 27 11.255 5.205 -5.722 1.00 13.35 O ATOM 383 CB PRO A 27 10.770 6.233 -8.771 1.00 22.31 C ATOM 384 CG PRO A 27 10.563 7.666 -9.126 1.00 51.15 C ATOM 385 CD PRO A 27 9.144 7.984 -8.748 1.00 72.32 C ATOM 0 HA PRO A 27 9.476 5.006 -7.467 1.00 43.12 H new ATOM 0 HB2 PRO A 27 11.819 6.025 -8.559 1.00 22.31 H new ATOM 0 HB3 PRO A 27 10.473 5.576 -9.588 1.00 22.31 H new ATOM 0 HG2 PRO A 27 11.263 8.306 -8.589 1.00 51.15 H new ATOM 0 HG3 PRO A 27 10.730 7.833 -10.190 1.00 51.15 H new ATOM 0 HD2 PRO A 27 9.039 9.017 -8.416 1.00 72.32 H new ATOM 0 HD3 PRO A 27 8.464 7.849 -9.589 1.00 72.32 H new ATOM 390 N SER A 28 10.829 7.413 -5.788 1.00 33.14 N ATOM 391 CA SER A 28 11.593 7.708 -4.582 1.00 72.30 C ATOM 392 C SER A 28 10.663 7.980 -3.403 1.00 22.44 C ATOM 393 O SER A 28 11.111 8.112 -2.264 1.00 75.41 O ATOM 394 CB SER A 28 12.508 8.912 -4.814 1.00 51.20 C ATOM 395 OG SER A 28 12.453 9.812 -3.722 1.00 74.51 O ATOM 0 H SER A 28 10.394 8.228 -6.221 1.00 33.14 H new ATOM 0 HA SER A 28 12.204 6.837 -4.346 1.00 72.30 H new ATOM 0 HB2 SER A 28 13.533 8.571 -4.957 1.00 51.20 H new ATOM 0 HB3 SER A 28 12.213 9.426 -5.728 1.00 51.20 H new ATOM 0 HG SER A 28 13.048 10.572 -3.894 1.00 74.51 H new ATOM 400 N ASP A 29 9.368 8.065 -3.687 1.00 64.35 N ATOM 401 CA ASP A 29 8.374 8.321 -2.651 1.00 74.24 C ATOM 402 C ASP A 29 7.552 7.068 -2.364 1.00 42.14 C ATOM 403 O ASP A 29 6.943 6.491 -3.266 1.00 40.02 O ATOM 404 CB ASP A 29 7.452 9.466 -3.072 1.00 31.11 C ATOM 405 CG ASP A 29 6.948 10.269 -1.888 1.00 24.32 C ATOM 406 OD1 ASP A 29 7.380 9.985 -0.752 1.00 73.24 O ATOM 407 OD2 ASP A 29 6.124 11.183 -2.099 1.00 43.11 O ATOM 0 H ASP A 29 8.982 7.960 -4.625 1.00 64.35 H new ATOM 0 HA ASP A 29 8.900 8.604 -1.739 1.00 74.24 H new ATOM 0 HB2 ASP A 29 7.987 10.127 -3.754 1.00 31.11 H new ATOM 0 HB3 ASP A 29 6.602 9.061 -3.621 1.00 31.11 H new ATOM 411 N THR A 30 7.540 6.650 -1.102 1.00 21.14 N ATOM 412 CA THR A 30 6.795 5.465 -0.697 1.00 44.24 C ATOM 413 C THR A 30 5.406 5.835 -0.189 1.00 63.04 C ATOM 414 O THR A 30 5.084 7.013 -0.037 1.00 3.02 O ATOM 415 CB THR A 30 7.539 4.682 0.401 1.00 51.24 C ATOM 416 OG1 THR A 30 6.897 3.423 0.627 1.00 54.31 O ATOM 417 CG2 THR A 30 7.580 5.476 1.699 1.00 1.43 C ATOM 0 H THR A 30 8.038 7.115 -0.343 1.00 21.14 H new ATOM 0 HA THR A 30 6.699 4.835 -1.581 1.00 44.24 H new ATOM 0 HB THR A 30 8.562 4.512 0.064 1.00 51.24 H new ATOM 0 HG1 THR A 30 7.139 2.799 -0.089 1.00 54.31 H new ATOM 0 HG21 THR A 30 8.110 4.903 2.460 1.00 1.43 H new ATOM 0 HG22 THR A 30 8.096 6.421 1.531 1.00 1.43 H new ATOM 0 HG23 THR A 30 6.563 5.673 2.037 1.00 1.43 H new ATOM 425 N ILE A 31 4.588 4.821 0.073 1.00 24.53 N ATOM 426 CA ILE A 31 3.234 5.041 0.566 1.00 21.41 C ATOM 427 C ILE A 31 3.241 5.898 1.828 1.00 22.14 C ATOM 428 O ILE A 31 2.255 6.563 2.143 1.00 50.42 O ATOM 429 CB ILE A 31 2.521 3.709 0.868 1.00 21.02 C ATOM 430 CG1 ILE A 31 2.647 2.758 -0.324 1.00 54.00 C ATOM 431 CG2 ILE A 31 1.058 3.956 1.204 1.00 24.31 C ATOM 432 CD1 ILE A 31 2.229 3.378 -1.639 1.00 45.21 C ATOM 0 H ILE A 31 4.839 3.840 -0.048 1.00 24.53 H new ATOM 0 HA ILE A 31 2.692 5.563 -0.223 1.00 21.41 H new ATOM 0 HB ILE A 31 2.998 3.245 1.731 1.00 21.02 H new ATOM 0 HG12 ILE A 31 3.681 2.422 -0.403 1.00 54.00 H new ATOM 0 HG13 ILE A 31 2.038 1.874 -0.139 1.00 54.00 H new ATOM 0 HG21 ILE A 31 0.568 3.006 1.415 1.00 24.31 H new ATOM 0 HG22 ILE A 31 0.990 4.602 2.079 1.00 24.31 H new ATOM 0 HG23 ILE A 31 0.567 4.438 0.359 1.00 24.31 H new ATOM 0 HD11 ILE A 31 2.345 2.647 -2.439 1.00 45.21 H new ATOM 0 HD12 ILE A 31 1.186 3.689 -1.579 1.00 45.21 H new ATOM 0 HD13 ILE A 31 2.855 4.246 -1.847 1.00 45.21 H new ATOM 443 N GLU A 32 4.360 5.879 2.544 1.00 51.54 N ATOM 444 CA GLU A 32 4.496 6.654 3.771 1.00 11.15 C ATOM 445 C GLU A 32 4.114 8.113 3.537 1.00 44.10 C ATOM 446 O GLU A 32 3.253 8.658 4.224 1.00 21.45 O ATOM 447 CB GLU A 32 5.928 6.569 4.300 1.00 63.54 C ATOM 448 CG GLU A 32 6.074 7.028 5.740 1.00 73.44 C ATOM 449 CD GLU A 32 7.355 6.534 6.385 1.00 44.21 C ATOM 450 OE1 GLU A 32 8.363 6.385 5.660 1.00 72.42 O ATOM 451 OE2 GLU A 32 7.351 6.297 7.610 1.00 71.25 O ATOM 0 H GLU A 32 5.186 5.335 2.295 1.00 51.54 H new ATOM 0 HA GLU A 32 3.818 6.232 4.513 1.00 11.15 H new ATOM 0 HB2 GLU A 32 6.275 5.539 4.219 1.00 63.54 H new ATOM 0 HB3 GLU A 32 6.576 7.175 3.667 1.00 63.54 H new ATOM 0 HG2 GLU A 32 6.052 8.117 5.774 1.00 73.44 H new ATOM 0 HG3 GLU A 32 5.221 6.674 6.318 1.00 73.44 H new ATOM 456 N ASN A 33 4.765 8.739 2.560 1.00 32.04 N ATOM 457 CA ASN A 33 4.495 10.135 2.234 1.00 74.24 C ATOM 458 C ASN A 33 3.213 10.266 1.418 1.00 40.14 C ATOM 459 O ASN A 33 2.448 11.214 1.591 1.00 20.25 O ATOM 460 CB ASN A 33 5.669 10.735 1.460 1.00 63.35 C ATOM 461 CG ASN A 33 5.963 12.165 1.873 1.00 41.20 C ATOM 462 OD1 ASN A 33 5.128 13.055 1.708 1.00 73.25 O ATOM 463 ND2 ASN A 33 7.156 12.392 2.412 1.00 20.13 N ATOM 0 H ASN A 33 5.482 8.302 1.981 1.00 32.04 H new ATOM 0 HA ASN A 33 4.366 10.682 3.168 1.00 74.24 H new ATOM 0 HB2 ASN A 33 6.557 10.123 1.620 1.00 63.35 H new ATOM 0 HB3 ASN A 33 5.450 10.706 0.393 1.00 63.35 H new ATOM 0 HD21 ASN A 33 7.411 13.334 2.708 1.00 20.13 H new ATOM 0 HD22 ASN A 33 7.817 11.624 2.530 1.00 20.13 H new ATOM 469 N VAL A 34 2.985 9.305 0.528 1.00 22.24 N ATOM 470 CA VAL A 34 1.796 9.311 -0.315 1.00 15.02 C ATOM 471 C VAL A 34 0.529 9.454 0.522 1.00 54.30 C ATOM 472 O VAL A 34 -0.452 10.056 0.086 1.00 72.31 O ATOM 473 CB VAL A 34 1.698 8.025 -1.158 1.00 4.04 C ATOM 474 CG1 VAL A 34 0.468 8.064 -2.052 1.00 33.53 C ATOM 475 CG2 VAL A 34 2.961 7.834 -1.984 1.00 44.00 C ATOM 0 H VAL A 34 3.608 8.513 0.373 1.00 22.24 H new ATOM 0 HA VAL A 34 1.886 10.168 -0.982 1.00 15.02 H new ATOM 0 HB VAL A 34 1.599 7.175 -0.483 1.00 4.04 H new ATOM 0 HG11 VAL A 34 0.416 7.147 -2.640 1.00 33.53 H new ATOM 0 HG12 VAL A 34 -0.427 8.151 -1.436 1.00 33.53 H new ATOM 0 HG13 VAL A 34 0.532 8.921 -2.722 1.00 33.53 H new ATOM 0 HG21 VAL A 34 2.876 6.921 -2.574 1.00 44.00 H new ATOM 0 HG22 VAL A 34 3.092 8.686 -2.651 1.00 44.00 H new ATOM 0 HG23 VAL A 34 3.822 7.758 -1.320 1.00 44.00 H new ATOM 485 N LYS A 35 0.557 8.895 1.727 1.00 42.13 N ATOM 486 CA LYS A 35 -0.586 8.960 2.629 1.00 12.44 C ATOM 487 C LYS A 35 -1.053 10.401 2.812 1.00 50.24 C ATOM 488 O LYS A 35 -2.226 10.653 3.084 1.00 74.31 O ATOM 489 CB LYS A 35 -0.228 8.352 3.986 1.00 71.20 C ATOM 490 CG LYS A 35 0.488 9.318 4.915 1.00 55.22 C ATOM 491 CD LYS A 35 1.079 8.600 6.116 1.00 64.43 C ATOM 492 CE LYS A 35 2.107 9.465 6.831 1.00 2.25 C ATOM 493 NZ LYS A 35 3.057 8.647 7.634 1.00 73.44 N ATOM 0 H LYS A 35 1.361 8.391 2.102 1.00 42.13 H new ATOM 0 HA LYS A 35 -1.400 8.386 2.185 1.00 12.44 H new ATOM 0 HB2 LYS A 35 -1.140 8.003 4.471 1.00 71.20 H new ATOM 0 HB3 LYS A 35 0.403 7.478 3.828 1.00 71.20 H new ATOM 0 HG2 LYS A 35 1.281 9.829 4.369 1.00 55.22 H new ATOM 0 HG3 LYS A 35 -0.210 10.083 5.254 1.00 55.22 H new ATOM 0 HD2 LYS A 35 0.282 8.332 6.809 1.00 64.43 H new ATOM 0 HD3 LYS A 35 1.546 7.670 5.792 1.00 64.43 H new ATOM 0 HE2 LYS A 35 2.662 10.051 6.098 1.00 2.25 H new ATOM 0 HE3 LYS A 35 1.596 10.173 7.483 1.00 2.25 H new ATOM 0 HZ1 LYS A 35 3.741 9.273 8.105 1.00 73.44 H new ATOM 0 HZ2 LYS A 35 2.531 8.107 8.350 1.00 73.44 H new ATOM 0 HZ3 LYS A 35 3.564 7.989 7.008 1.00 73.44 H new ATOM 503 N ALA A 36 -0.127 11.342 2.660 1.00 13.01 N ATOM 504 CA ALA A 36 -0.445 12.757 2.805 1.00 72.22 C ATOM 505 C ALA A 36 -1.361 13.232 1.684 1.00 11.41 C ATOM 506 O ALA A 36 -2.181 14.131 1.875 1.00 40.30 O ATOM 507 CB ALA A 36 0.832 13.585 2.832 1.00 55.22 C ATOM 0 H ALA A 36 0.849 11.150 2.436 1.00 13.01 H new ATOM 0 HA ALA A 36 -0.972 12.890 3.750 1.00 72.22 H new ATOM 0 HB1 ALA A 36 0.579 14.640 2.941 1.00 55.22 H new ATOM 0 HB2 ALA A 36 1.451 13.272 3.673 1.00 55.22 H new ATOM 0 HB3 ALA A 36 1.381 13.437 1.902 1.00 55.22 H new ATOM 513 N LYS A 37 -1.217 12.624 0.511 1.00 34.34 N ATOM 514 CA LYS A 37 -2.033 12.984 -0.643 1.00 0.53 C ATOM 515 C LYS A 37 -3.459 12.467 -0.485 1.00 74.33 C ATOM 516 O LYS A 37 -4.423 13.198 -0.712 1.00 21.04 O ATOM 517 CB LYS A 37 -1.415 12.422 -1.926 1.00 43.34 C ATOM 518 CG LYS A 37 -0.960 13.493 -2.902 1.00 2.33 C ATOM 519 CD LYS A 37 0.453 13.960 -2.598 1.00 34.24 C ATOM 520 CE LYS A 37 0.509 15.467 -2.389 1.00 51.44 C ATOM 521 NZ LYS A 37 -0.049 15.864 -1.067 1.00 70.13 N ATOM 0 H LYS A 37 -0.543 11.879 0.334 1.00 34.34 H new ATOM 0 HA LYS A 37 -2.065 14.072 -0.708 1.00 0.53 H new ATOM 0 HB2 LYS A 37 -0.563 11.795 -1.664 1.00 43.34 H new ATOM 0 HB3 LYS A 37 -2.144 11.779 -2.419 1.00 43.34 H new ATOM 0 HG2 LYS A 37 -1.004 13.103 -3.919 1.00 2.33 H new ATOM 0 HG3 LYS A 37 -1.642 14.342 -2.856 1.00 2.33 H new ATOM 0 HD2 LYS A 37 0.821 13.454 -1.705 1.00 34.24 H new ATOM 0 HD3 LYS A 37 1.114 13.680 -3.418 1.00 34.24 H new ATOM 0 HE2 LYS A 37 1.542 15.806 -2.464 1.00 51.44 H new ATOM 0 HE3 LYS A 37 -0.048 15.965 -3.183 1.00 51.44 H new ATOM 0 HZ1 LYS A 37 -0.951 16.362 -1.206 1.00 70.13 H new ATOM 0 HZ2 LYS A 37 -0.208 15.015 -0.488 1.00 70.13 H new ATOM 0 HZ3 LYS A 37 0.622 16.493 -0.582 1.00 70.13 H new ATOM 531 N ILE A 38 -3.585 11.203 -0.093 1.00 22.52 N ATOM 532 CA ILE A 38 -4.894 10.590 0.099 1.00 4.22 C ATOM 533 C ILE A 38 -5.536 11.060 1.399 1.00 32.11 C ATOM 534 O ILE A 38 -6.760 11.117 1.513 1.00 32.23 O ATOM 535 CB ILE A 38 -4.798 9.053 0.112 1.00 15.35 C ATOM 536 CG1 ILE A 38 -6.177 8.438 0.360 1.00 53.14 C ATOM 537 CG2 ILE A 38 -3.808 8.593 1.171 1.00 31.12 C ATOM 538 CD1 ILE A 38 -6.443 8.117 1.815 1.00 62.33 C ATOM 0 H ILE A 38 -2.797 10.584 0.098 1.00 22.52 H new ATOM 0 HA ILE A 38 -5.515 10.900 -0.742 1.00 4.22 H new ATOM 0 HB ILE A 38 -4.440 8.717 -0.861 1.00 15.35 H new ATOM 0 HG12 ILE A 38 -6.943 9.127 0.002 1.00 53.14 H new ATOM 0 HG13 ILE A 38 -6.270 7.525 -0.228 1.00 53.14 H new ATOM 0 HG21 ILE A 38 -3.751 7.504 1.168 1.00 31.12 H new ATOM 0 HG22 ILE A 38 -2.824 9.008 0.954 1.00 31.12 H new ATOM 0 HG23 ILE A 38 -4.138 8.936 2.151 1.00 31.12 H new ATOM 0 HD11 ILE A 38 -7.438 7.684 1.916 1.00 62.33 H new ATOM 0 HD12 ILE A 38 -5.700 7.404 2.172 1.00 62.33 H new ATOM 0 HD13 ILE A 38 -6.383 9.031 2.406 1.00 62.33 H new ATOM 549 N GLN A 39 -4.701 11.397 2.378 1.00 44.41 N ATOM 550 CA GLN A 39 -5.189 11.863 3.670 1.00 44.14 C ATOM 551 C GLN A 39 -6.200 12.990 3.496 1.00 34.24 C ATOM 552 O GLN A 39 -7.191 13.066 4.223 1.00 30.12 O ATOM 553 CB GLN A 39 -4.022 12.340 4.537 1.00 44.34 C ATOM 554 CG GLN A 39 -4.457 13.088 5.786 1.00 75.34 C ATOM 555 CD GLN A 39 -5.243 12.215 6.745 1.00 24.54 C ATOM 556 OE1 GLN A 39 -4.998 11.014 6.852 1.00 73.00 O ATOM 557 NE2 GLN A 39 -6.195 12.817 7.448 1.00 75.33 N ATOM 0 H GLN A 39 -3.685 11.356 2.300 1.00 44.41 H new ATOM 0 HA GLN A 39 -5.685 11.028 4.165 1.00 44.14 H new ATOM 0 HB2 GLN A 39 -3.422 11.478 4.830 1.00 44.34 H new ATOM 0 HB3 GLN A 39 -3.379 12.988 3.941 1.00 44.34 H new ATOM 0 HG2 GLN A 39 -3.577 13.480 6.296 1.00 75.34 H new ATOM 0 HG3 GLN A 39 -5.066 13.945 5.498 1.00 75.34 H new ATOM 0 HE21 GLN A 39 -6.364 13.816 7.327 1.00 75.33 H new ATOM 0 HE22 GLN A 39 -6.757 12.281 8.109 1.00 75.33 H new ATOM 564 N ASP A 40 -5.945 13.864 2.529 1.00 52.41 N ATOM 565 CA ASP A 40 -6.835 14.987 2.259 1.00 44.00 C ATOM 566 C ASP A 40 -8.082 14.525 1.513 1.00 1.24 C ATOM 567 O ASP A 40 -9.140 15.149 1.603 1.00 23.14 O ATOM 568 CB ASP A 40 -6.107 16.059 1.445 1.00 61.44 C ATOM 569 CG ASP A 40 -7.061 17.031 0.781 1.00 74.52 C ATOM 570 OD1 ASP A 40 -8.010 17.484 1.455 1.00 22.23 O ATOM 571 OD2 ASP A 40 -6.860 17.338 -0.412 1.00 60.02 O ATOM 0 H ASP A 40 -5.129 13.817 1.919 1.00 52.41 H new ATOM 0 HA ASP A 40 -7.142 15.413 3.214 1.00 44.00 H new ATOM 0 HB2 ASP A 40 -5.429 16.609 2.098 1.00 61.44 H new ATOM 0 HB3 ASP A 40 -5.494 15.578 0.682 1.00 61.44 H new ATOM 575 N LYS A 41 -7.951 13.429 0.774 1.00 11.25 N ATOM 576 CA LYS A 41 -9.067 12.882 0.011 1.00 44.02 C ATOM 577 C LYS A 41 -10.092 12.234 0.936 1.00 12.51 C ATOM 578 O LYS A 41 -11.270 12.590 0.917 1.00 24.11 O ATOM 579 CB LYS A 41 -8.562 11.857 -1.007 1.00 40.35 C ATOM 580 CG LYS A 41 -7.396 12.353 -1.844 1.00 22.23 C ATOM 581 CD LYS A 41 -7.806 13.511 -2.738 1.00 12.14 C ATOM 582 CE LYS A 41 -6.630 14.430 -3.035 1.00 52.55 C ATOM 583 NZ LYS A 41 -6.767 15.095 -4.361 1.00 71.03 N ATOM 0 H LYS A 41 -7.082 12.901 0.687 1.00 11.25 H new ATOM 0 HA LYS A 41 -9.550 13.703 -0.519 1.00 44.02 H new ATOM 0 HB2 LYS A 41 -8.260 10.952 -0.479 1.00 40.35 H new ATOM 0 HB3 LYS A 41 -9.382 11.581 -1.670 1.00 40.35 H new ATOM 0 HG2 LYS A 41 -6.584 12.668 -1.189 1.00 22.23 H new ATOM 0 HG3 LYS A 41 -7.013 11.537 -2.457 1.00 22.23 H new ATOM 0 HD2 LYS A 41 -8.212 13.124 -3.673 1.00 12.14 H new ATOM 0 HD3 LYS A 41 -8.601 14.080 -2.256 1.00 12.14 H new ATOM 0 HE2 LYS A 41 -6.555 15.187 -2.255 1.00 52.55 H new ATOM 0 HE3 LYS A 41 -5.704 13.855 -3.011 1.00 52.55 H new ATOM 0 HZ1 LYS A 41 -5.877 15.576 -4.602 1.00 71.03 H new ATOM 0 HZ2 LYS A 41 -6.983 14.382 -5.086 1.00 71.03 H new ATOM 0 HZ3 LYS A 41 -7.537 15.792 -4.322 1.00 71.03 H new ATOM 593 N GLU A 42 -9.636 11.282 1.743 1.00 23.12 N ATOM 594 CA GLU A 42 -10.516 10.586 2.675 1.00 62.25 C ATOM 595 C GLU A 42 -9.954 10.634 4.093 1.00 65.50 C ATOM 596 O GLU A 42 -10.700 10.728 5.066 1.00 63.42 O ATOM 597 CB GLU A 42 -10.707 9.132 2.241 1.00 52.41 C ATOM 598 CG GLU A 42 -11.805 8.945 1.206 1.00 22.21 C ATOM 599 CD GLU A 42 -11.950 7.503 0.763 1.00 15.23 C ATOM 600 OE1 GLU A 42 -11.556 6.603 1.535 1.00 62.52 O ATOM 601 OE2 GLU A 42 -12.458 7.272 -0.354 1.00 33.44 O ATOM 0 H GLU A 42 -8.664 10.975 1.771 1.00 23.12 H new ATOM 0 HA GLU A 42 -11.482 11.090 2.668 1.00 62.25 H new ATOM 0 HB2 GLU A 42 -9.768 8.757 1.834 1.00 52.41 H new ATOM 0 HB3 GLU A 42 -10.939 8.527 3.118 1.00 52.41 H new ATOM 0 HG2 GLU A 42 -12.752 9.291 1.620 1.00 22.21 H new ATOM 0 HG3 GLU A 42 -11.590 9.568 0.338 1.00 22.21 H new ATOM 606 N GLY A 43 -8.629 10.569 4.201 1.00 74.02 N ATOM 607 CA GLY A 43 -7.988 10.606 5.502 1.00 74.21 C ATOM 608 C GLY A 43 -7.660 9.222 6.027 1.00 12.21 C ATOM 609 O GLY A 43 -7.680 8.988 7.235 1.00 21.31 O ATOM 0 H GLY A 43 -7.989 10.491 3.410 1.00 74.02 H new ATOM 0 HA2 GLY A 43 -7.072 11.192 5.435 1.00 74.21 H new ATOM 0 HA3 GLY A 43 -8.641 11.115 6.211 1.00 74.21 H new ATOM 613 N ILE A 44 -7.359 8.303 5.116 1.00 74.33 N ATOM 614 CA ILE A 44 -7.025 6.935 5.494 1.00 11.15 C ATOM 615 C ILE A 44 -5.517 6.709 5.467 1.00 75.10 C ATOM 616 O ILE A 44 -4.892 6.645 4.409 1.00 34.23 O ATOM 617 CB ILE A 44 -7.703 5.913 4.561 1.00 70.14 C ATOM 618 CG1 ILE A 44 -9.171 6.282 4.344 1.00 34.21 C ATOM 619 CG2 ILE A 44 -7.584 4.510 5.138 1.00 65.32 C ATOM 620 CD1 ILE A 44 -9.965 6.386 5.629 1.00 4.33 C ATOM 0 H ILE A 44 -7.339 8.480 4.112 1.00 74.33 H new ATOM 0 HA ILE A 44 -7.393 6.789 6.510 1.00 11.15 H new ATOM 0 HB ILE A 44 -7.197 5.933 3.596 1.00 70.14 H new ATOM 0 HG12 ILE A 44 -9.224 7.234 3.816 1.00 34.21 H new ATOM 0 HG13 ILE A 44 -9.634 5.534 3.700 1.00 34.21 H new ATOM 0 HG21 ILE A 44 -8.067 3.799 4.468 1.00 65.32 H new ATOM 0 HG22 ILE A 44 -6.531 4.249 5.246 1.00 65.32 H new ATOM 0 HG23 ILE A 44 -8.068 4.476 6.114 1.00 65.32 H new ATOM 0 HD11 ILE A 44 -10.997 6.651 5.399 1.00 4.33 H new ATOM 0 HD12 ILE A 44 -9.943 5.428 6.149 1.00 4.33 H new ATOM 0 HD13 ILE A 44 -9.527 7.154 6.266 1.00 4.33 H new ATOM 631 N PRO A 45 -4.917 6.583 6.661 1.00 14.04 N ATOM 632 CA PRO A 45 -3.476 6.360 6.802 1.00 3.14 C ATOM 633 C PRO A 45 -3.055 4.971 6.334 1.00 55.24 C ATOM 634 O PRO A 45 -3.885 4.093 6.096 1.00 43.21 O ATOM 635 CB PRO A 45 -3.238 6.512 8.306 1.00 73.42 C ATOM 636 CG PRO A 45 -4.549 6.181 8.931 1.00 72.24 C ATOM 637 CD PRO A 45 -5.600 6.649 7.964 1.00 34.24 C ATOM 0 HA PRO A 45 -2.896 7.053 6.193 1.00 3.14 H new ATOM 0 HB2 PRO A 45 -2.453 5.840 8.653 1.00 73.42 H new ATOM 0 HB3 PRO A 45 -2.924 7.525 8.557 1.00 73.42 H new ATOM 0 HG2 PRO A 45 -4.635 5.110 9.112 1.00 72.24 H new ATOM 0 HG3 PRO A 45 -4.658 6.677 9.895 1.00 72.24 H new ATOM 0 HD2 PRO A 45 -6.482 6.009 7.988 1.00 34.24 H new ATOM 0 HD3 PRO A 45 -5.934 7.661 8.192 1.00 34.24 H new ATOM 642 N PRO A 46 -1.738 4.765 6.200 1.00 44.43 N ATOM 643 CA PRO A 46 -1.177 3.483 5.761 1.00 14.31 C ATOM 644 C PRO A 46 -1.342 2.389 6.810 1.00 43.05 C ATOM 645 O PRO A 46 -1.393 1.203 6.482 1.00 22.41 O ATOM 646 CB PRO A 46 0.305 3.798 5.544 1.00 22.41 C ATOM 647 CG PRO A 46 0.579 4.961 6.435 1.00 12.12 C ATOM 648 CD PRO A 46 -0.691 5.766 6.467 1.00 5.44 C ATOM 0 HA PRO A 46 -1.679 3.102 4.872 1.00 14.31 H new ATOM 0 HB2 PRO A 46 0.933 2.945 5.802 1.00 22.41 H new ATOM 0 HB3 PRO A 46 0.510 4.041 4.501 1.00 22.41 H new ATOM 0 HG2 PRO A 46 0.856 4.629 7.436 1.00 12.12 H new ATOM 0 HG3 PRO A 46 1.409 5.557 6.055 1.00 12.12 H new ATOM 0 HD2 PRO A 46 -0.835 6.250 7.433 1.00 5.44 H new ATOM 0 HD3 PRO A 46 -0.687 6.553 5.713 1.00 5.44 H new ATOM 653 N ASP A 47 -1.422 2.794 8.073 1.00 14.31 N ATOM 654 CA ASP A 47 -1.583 1.847 9.170 1.00 61.44 C ATOM 655 C ASP A 47 -3.035 1.397 9.293 1.00 43.13 C ATOM 656 O ASP A 47 -3.320 0.330 9.836 1.00 44.41 O ATOM 657 CB ASP A 47 -1.118 2.476 10.486 1.00 41.41 C ATOM 658 CG ASP A 47 0.294 3.021 10.399 1.00 24.10 C ATOM 659 OD1 ASP A 47 1.226 2.222 10.168 1.00 22.21 O ATOM 660 OD2 ASP A 47 0.468 4.248 10.563 1.00 44.55 O ATOM 0 H ASP A 47 -1.378 3.771 8.362 1.00 14.31 H new ATOM 0 HA ASP A 47 -0.968 0.973 8.955 1.00 61.44 H new ATOM 0 HB2 ASP A 47 -1.799 3.281 10.761 1.00 41.41 H new ATOM 0 HB3 ASP A 47 -1.169 1.731 11.280 1.00 41.41 H new ATOM 664 N GLN A 48 -3.949 2.219 8.787 1.00 25.01 N ATOM 665 CA GLN A 48 -5.371 1.905 8.842 1.00 23.44 C ATOM 666 C GLN A 48 -5.899 1.527 7.462 1.00 72.24 C ATOM 667 O GLN A 48 -7.106 1.389 7.266 1.00 43.15 O ATOM 668 CB GLN A 48 -6.157 3.097 9.392 1.00 63.40 C ATOM 669 CG GLN A 48 -7.539 2.730 9.907 1.00 11.30 C ATOM 670 CD GLN A 48 -7.500 1.635 10.956 1.00 5.12 C ATOM 671 OE1 GLN A 48 -8.082 0.566 10.775 1.00 73.31 O ATOM 672 NE2 GLN A 48 -6.809 1.898 12.059 1.00 13.10 N ATOM 0 H GLN A 48 -3.730 3.107 8.335 1.00 25.01 H new ATOM 0 HA GLN A 48 -5.503 1.052 9.508 1.00 23.44 H new ATOM 0 HB2 GLN A 48 -5.587 3.555 10.200 1.00 63.40 H new ATOM 0 HB3 GLN A 48 -6.258 3.848 8.608 1.00 63.40 H new ATOM 0 HG2 GLN A 48 -8.012 3.616 10.330 1.00 11.30 H new ATOM 0 HG3 GLN A 48 -8.159 2.406 9.072 1.00 11.30 H new ATOM 0 HE21 GLN A 48 -6.342 2.799 12.166 1.00 13.10 H new ATOM 0 HE22 GLN A 48 -6.745 1.199 12.799 1.00 13.10 H new ATOM 679 N GLN A 49 -4.986 1.361 6.510 1.00 41.31 N ATOM 680 CA GLN A 49 -5.361 0.998 5.148 1.00 62.31 C ATOM 681 C GLN A 49 -4.451 -0.099 4.607 1.00 30.42 C ATOM 682 O GLN A 49 -3.258 -0.136 4.910 1.00 54.22 O ATOM 683 CB GLN A 49 -5.298 2.225 4.237 1.00 14.22 C ATOM 684 CG GLN A 49 -3.967 2.384 3.521 1.00 53.31 C ATOM 685 CD GLN A 49 -3.737 3.796 3.021 1.00 31.51 C ATOM 686 OE1 GLN A 49 -4.680 4.573 2.865 1.00 3.45 O ATOM 687 NE2 GLN A 49 -2.479 4.139 2.769 1.00 10.30 N ATOM 0 H GLN A 49 -3.983 1.472 6.656 1.00 41.31 H new ATOM 0 HA GLN A 49 -6.383 0.620 5.167 1.00 62.31 H new ATOM 0 HB2 GLN A 49 -6.094 2.158 3.495 1.00 14.22 H new ATOM 0 HB3 GLN A 49 -5.490 3.118 4.831 1.00 14.22 H new ATOM 0 HG2 GLN A 49 -3.159 2.107 4.198 1.00 53.31 H new ATOM 0 HG3 GLN A 49 -3.928 1.694 2.678 1.00 53.31 H new ATOM 0 HE21 GLN A 49 -1.728 3.464 2.912 1.00 10.30 H new ATOM 0 HE22 GLN A 49 -2.264 5.078 2.432 1.00 10.30 H new ATOM 694 N ARG A 50 -5.022 -0.992 3.804 1.00 24.31 N ATOM 695 CA ARG A 50 -4.262 -2.092 3.222 1.00 23.44 C ATOM 696 C ARG A 50 -3.613 -1.668 1.908 1.00 5.25 C ATOM 697 O ARG A 50 -3.667 -0.498 1.525 1.00 15.44 O ATOM 698 CB ARG A 50 -5.170 -3.299 2.988 1.00 55.54 C ATOM 699 CG ARG A 50 -6.084 -3.611 4.162 1.00 70.33 C ATOM 700 CD ARG A 50 -6.535 -5.063 4.147 1.00 74.15 C ATOM 701 NE ARG A 50 -7.419 -5.373 5.268 1.00 23.14 N ATOM 702 CZ ARG A 50 -6.999 -5.504 6.521 1.00 12.03 C ATOM 703 NH1 ARG A 50 -5.714 -5.351 6.812 1.00 55.32 N ATOM 704 NH2 ARG A 50 -7.865 -5.787 7.486 1.00 24.12 N ATOM 0 H ARG A 50 -6.008 -0.975 3.542 1.00 24.31 H new ATOM 0 HA ARG A 50 -3.475 -2.369 3.924 1.00 23.44 H new ATOM 0 HB2 ARG A 50 -5.779 -3.118 2.102 1.00 55.54 H new ATOM 0 HB3 ARG A 50 -4.552 -4.172 2.777 1.00 55.54 H new ATOM 0 HG2 ARG A 50 -5.563 -3.400 5.096 1.00 70.33 H new ATOM 0 HG3 ARG A 50 -6.956 -2.958 4.129 1.00 70.33 H new ATOM 0 HD2 ARG A 50 -7.051 -5.273 3.210 1.00 74.15 H new ATOM 0 HD3 ARG A 50 -5.662 -5.714 4.183 1.00 74.15 H new ATOM 0 HE ARG A 50 -8.414 -5.496 5.078 1.00 23.14 H new ATOM 0 HH11 ARG A 50 -5.046 -5.132 6.073 1.00 55.32 H new ATOM 0 HH12 ARG A 50 -5.394 -5.452 7.775 1.00 55.32 H new ATOM 0 HH21 ARG A 50 -8.854 -5.904 7.266 1.00 24.12 H new ATOM 0 HH22 ARG A 50 -7.542 -5.887 8.448 1.00 24.12 H new ATOM 715 N LEU A 51 -2.997 -2.625 1.222 1.00 21.44 N ATOM 716 CA LEU A 51 -2.337 -2.351 -0.049 1.00 41.04 C ATOM 717 C LEU A 51 -2.809 -3.320 -1.128 1.00 52.33 C ATOM 718 O LEU A 51 -2.883 -4.529 -0.901 1.00 30.41 O ATOM 719 CB LEU A 51 -0.818 -2.448 0.112 1.00 10.43 C ATOM 720 CG LEU A 51 -0.010 -1.262 -0.418 1.00 51.25 C ATOM 721 CD1 LEU A 51 1.481 -1.527 -0.274 1.00 51.02 C ATOM 722 CD2 LEU A 51 -0.366 -0.980 -1.869 1.00 0.54 C ATOM 0 H LEU A 51 -2.941 -3.597 1.525 1.00 21.44 H new ATOM 0 HA LEU A 51 -2.600 -1.339 -0.356 1.00 41.04 H new ATOM 0 HB2 LEU A 51 -0.592 -2.572 1.171 1.00 10.43 H new ATOM 0 HB3 LEU A 51 -0.476 -3.351 -0.394 1.00 10.43 H new ATOM 0 HG LEU A 51 -0.261 -0.382 0.173 1.00 51.25 H new ATOM 0 HD11 LEU A 51 2.041 -0.673 -0.656 1.00 51.02 H new ATOM 0 HD12 LEU A 51 1.724 -1.679 0.778 1.00 51.02 H new ATOM 0 HD13 LEU A 51 1.748 -2.419 -0.841 1.00 51.02 H new ATOM 0 HD21 LEU A 51 0.218 -0.133 -2.229 1.00 0.54 H new ATOM 0 HD22 LEU A 51 -0.144 -1.858 -2.475 1.00 0.54 H new ATOM 0 HD23 LEU A 51 -1.428 -0.746 -1.944 1.00 0.54 H new ATOM 733 N ILE A 52 -3.124 -2.784 -2.301 1.00 40.54 N ATOM 734 CA ILE A 52 -3.586 -3.603 -3.416 1.00 31.30 C ATOM 735 C ILE A 52 -2.853 -3.242 -4.704 1.00 64.21 C ATOM 736 O ILE A 52 -2.967 -2.123 -5.203 1.00 62.22 O ATOM 737 CB ILE A 52 -5.101 -3.445 -3.640 1.00 11.51 C ATOM 738 CG1 ILE A 52 -5.843 -3.482 -2.302 1.00 3.45 C ATOM 739 CG2 ILE A 52 -5.615 -4.537 -4.567 1.00 34.45 C ATOM 740 CD1 ILE A 52 -5.758 -4.819 -1.601 1.00 61.51 C ATOM 0 H ILE A 52 -3.068 -1.786 -2.505 1.00 40.54 H new ATOM 0 HA ILE A 52 -3.371 -4.640 -3.157 1.00 31.30 H new ATOM 0 HB ILE A 52 -5.286 -2.479 -4.110 1.00 11.51 H new ATOM 0 HG12 ILE A 52 -5.435 -2.711 -1.648 1.00 3.45 H new ATOM 0 HG13 ILE A 52 -6.891 -3.235 -2.470 1.00 3.45 H new ATOM 0 HG21 ILE A 52 -6.688 -4.413 -4.716 1.00 34.45 H new ATOM 0 HG22 ILE A 52 -5.105 -4.469 -5.528 1.00 34.45 H new ATOM 0 HG23 ILE A 52 -5.421 -5.513 -4.122 1.00 34.45 H new ATOM 0 HD11 ILE A 52 -6.306 -4.772 -0.660 1.00 61.51 H new ATOM 0 HD12 ILE A 52 -6.193 -5.591 -2.236 1.00 61.51 H new ATOM 0 HD13 ILE A 52 -4.714 -5.059 -1.401 1.00 61.51 H new ATOM 751 N PHE A 53 -2.100 -4.198 -5.237 1.00 74.10 N ATOM 752 CA PHE A 53 -1.347 -3.983 -6.468 1.00 33.43 C ATOM 753 C PHE A 53 -1.606 -5.106 -7.467 1.00 10.20 C ATOM 754 O PHE A 53 -1.187 -6.245 -7.260 1.00 22.41 O ATOM 755 CB PHE A 53 0.149 -3.887 -6.166 1.00 42.43 C ATOM 756 CG PHE A 53 1.013 -3.950 -7.393 1.00 63.21 C ATOM 757 CD1 PHE A 53 0.669 -3.245 -8.535 1.00 32.11 C ATOM 758 CD2 PHE A 53 2.170 -4.712 -7.404 1.00 11.13 C ATOM 759 CE1 PHE A 53 1.462 -3.300 -9.666 1.00 62.14 C ATOM 760 CE2 PHE A 53 2.968 -4.771 -8.531 1.00 53.42 C ATOM 761 CZ PHE A 53 2.614 -4.064 -9.663 1.00 33.33 C ATOM 0 H PHE A 53 -1.995 -5.130 -4.836 1.00 74.10 H new ATOM 0 HA PHE A 53 -1.681 -3.044 -6.910 1.00 33.43 H new ATOM 0 HB2 PHE A 53 0.346 -2.953 -5.640 1.00 42.43 H new ATOM 0 HB3 PHE A 53 0.428 -4.697 -5.493 1.00 42.43 H new ATOM 0 HD1 PHE A 53 -0.229 -2.645 -8.542 1.00 32.11 H new ATOM 0 HD2 PHE A 53 2.452 -5.267 -6.521 1.00 11.13 H new ATOM 0 HE1 PHE A 53 1.182 -2.747 -10.550 1.00 62.14 H new ATOM 0 HE2 PHE A 53 3.867 -5.369 -8.526 1.00 53.42 H new ATOM 0 HZ PHE A 53 3.236 -4.108 -10.545 1.00 33.33 H new ATOM 770 N ALA A 54 -2.301 -4.777 -8.551 1.00 0.34 N ATOM 771 CA ALA A 54 -2.614 -5.757 -9.584 1.00 52.42 C ATOM 772 C ALA A 54 -3.327 -6.969 -8.993 1.00 51.11 C ATOM 773 O ALA A 54 -3.162 -8.091 -9.469 1.00 1.24 O ATOM 774 CB ALA A 54 -1.346 -6.188 -10.305 1.00 0.52 C ATOM 0 H ALA A 54 -2.658 -3.840 -8.737 1.00 0.34 H new ATOM 0 HA ALA A 54 -3.286 -5.288 -10.303 1.00 52.42 H new ATOM 0 HB1 ALA A 54 -1.595 -6.920 -11.073 1.00 0.52 H new ATOM 0 HB2 ALA A 54 -0.878 -5.320 -10.769 1.00 0.52 H new ATOM 0 HB3 ALA A 54 -0.655 -6.634 -9.590 1.00 0.52 H new ATOM 780 N GLY A 55 -4.119 -6.734 -7.952 1.00 30.31 N ATOM 781 CA GLY A 55 -4.844 -7.816 -7.312 1.00 34.21 C ATOM 782 C GLY A 55 -4.045 -8.475 -6.205 1.00 62.34 C ATOM 783 O GLY A 55 -4.588 -9.238 -5.406 1.00 64.23 O ATOM 0 H GLY A 55 -4.272 -5.813 -7.540 1.00 30.31 H new ATOM 0 HA2 GLY A 55 -5.778 -7.431 -6.902 1.00 34.21 H new ATOM 0 HA3 GLY A 55 -5.109 -8.564 -8.059 1.00 34.21 H new ATOM 787 N LYS A 56 -2.749 -8.182 -6.159 1.00 73.13 N ATOM 788 CA LYS A 56 -1.872 -8.752 -5.142 1.00 21.32 C ATOM 789 C LYS A 56 -1.649 -7.763 -4.001 1.00 51.14 C ATOM 790 O LYS A 56 -1.271 -6.615 -4.228 1.00 12.33 O ATOM 791 CB LYS A 56 -0.529 -9.145 -5.760 1.00 4.34 C ATOM 792 CG LYS A 56 0.175 -10.269 -5.021 1.00 22.15 C ATOM 793 CD LYS A 56 -0.377 -11.628 -5.417 1.00 44.42 C ATOM 794 CE LYS A 56 0.318 -12.172 -6.656 1.00 0.43 C ATOM 795 NZ LYS A 56 -0.350 -11.722 -7.909 1.00 51.32 N ATOM 0 H LYS A 56 -2.283 -7.554 -6.814 1.00 73.13 H new ATOM 0 HA LYS A 56 -2.354 -9.643 -4.739 1.00 21.32 H new ATOM 0 HB2 LYS A 56 -0.689 -9.447 -6.795 1.00 4.34 H new ATOM 0 HB3 LYS A 56 0.122 -8.271 -5.780 1.00 4.34 H new ATOM 0 HG2 LYS A 56 1.243 -10.233 -5.234 1.00 22.15 H new ATOM 0 HG3 LYS A 56 0.060 -10.127 -3.946 1.00 22.15 H new ATOM 0 HD2 LYS A 56 -0.251 -12.328 -4.591 1.00 44.42 H new ATOM 0 HD3 LYS A 56 -1.448 -11.546 -5.605 1.00 44.42 H new ATOM 0 HE2 LYS A 56 1.358 -11.846 -6.662 1.00 0.43 H new ATOM 0 HE3 LYS A 56 0.326 -13.261 -6.619 1.00 0.43 H new ATOM 0 HZ1 LYS A 56 -0.238 -12.451 -8.643 1.00 51.32 H new ATOM 0 HZ2 LYS A 56 -1.362 -11.567 -7.726 1.00 51.32 H new ATOM 0 HZ3 LYS A 56 0.083 -10.834 -8.234 1.00 51.32 H new ATOM 805 N GLN A 57 -1.884 -8.220 -2.775 1.00 53.04 N ATOM 806 CA GLN A 57 -1.707 -7.376 -1.599 1.00 23.21 C ATOM 807 C GLN A 57 -0.247 -7.354 -1.159 1.00 1.14 C ATOM 808 O GLN A 57 0.512 -8.282 -1.443 1.00 54.22 O ATOM 809 CB GLN A 57 -2.591 -7.871 -0.453 1.00 23.11 C ATOM 810 CG GLN A 57 -2.315 -9.310 -0.051 1.00 74.24 C ATOM 811 CD GLN A 57 -3.579 -10.070 0.300 1.00 71.22 C ATOM 812 OE1 GLN A 57 -4.608 -9.474 0.620 1.00 71.32 O ATOM 813 NE2 GLN A 57 -3.510 -11.395 0.240 1.00 62.32 N ATOM 0 H GLN A 57 -2.197 -9.169 -2.570 1.00 53.04 H new ATOM 0 HA GLN A 57 -2.002 -6.361 -1.864 1.00 23.21 H new ATOM 0 HB2 GLN A 57 -2.444 -7.226 0.413 1.00 23.11 H new ATOM 0 HB3 GLN A 57 -3.637 -7.778 -0.746 1.00 23.11 H new ATOM 0 HG2 GLN A 57 -1.804 -9.820 -0.868 1.00 74.24 H new ATOM 0 HG3 GLN A 57 -1.639 -9.321 0.804 1.00 74.24 H new ATOM 0 HE21 GLN A 57 -2.637 -11.849 -0.030 1.00 62.32 H new ATOM 0 HE22 GLN A 57 -4.330 -11.959 0.464 1.00 62.32 H new ATOM 820 N LEU A 58 0.140 -6.290 -0.466 1.00 61.30 N ATOM 821 CA LEU A 58 1.511 -6.147 0.014 1.00 21.20 C ATOM 822 C LEU A 58 1.536 -5.830 1.506 1.00 15.12 C ATOM 823 O LEU A 58 0.511 -5.912 2.184 1.00 61.11 O ATOM 824 CB LEU A 58 2.233 -5.044 -0.764 1.00 15.42 C ATOM 825 CG LEU A 58 2.156 -5.140 -2.289 1.00 61.11 C ATOM 826 CD1 LEU A 58 0.881 -4.491 -2.802 1.00 52.41 C ATOM 827 CD2 LEU A 58 3.379 -4.494 -2.925 1.00 51.25 C ATOM 0 H LEU A 58 -0.475 -5.513 -0.223 1.00 61.30 H new ATOM 0 HA LEU A 58 2.026 -7.094 -0.147 1.00 21.20 H new ATOM 0 HB2 LEU A 58 1.821 -4.082 -0.459 1.00 15.42 H new ATOM 0 HB3 LEU A 58 3.283 -5.048 -0.472 1.00 15.42 H new ATOM 0 HG LEU A 58 2.139 -6.194 -2.567 1.00 61.11 H new ATOM 0 HD11 LEU A 58 0.845 -4.569 -3.889 1.00 52.41 H new ATOM 0 HD12 LEU A 58 0.017 -4.997 -2.372 1.00 52.41 H new ATOM 0 HD13 LEU A 58 0.866 -3.440 -2.513 1.00 52.41 H new ATOM 0 HD21 LEU A 58 3.308 -4.571 -4.010 1.00 51.25 H new ATOM 0 HD22 LEU A 58 3.426 -3.444 -2.638 1.00 51.25 H new ATOM 0 HD23 LEU A 58 4.279 -5.004 -2.583 1.00 51.25 H new ATOM 838 N GLU A 59 2.711 -5.467 2.009 1.00 75.12 N ATOM 839 CA GLU A 59 2.867 -5.136 3.421 1.00 51.41 C ATOM 840 C GLU A 59 4.082 -4.238 3.639 1.00 14.02 C ATOM 841 O GLU A 59 3.975 -3.168 4.238 1.00 62.43 O ATOM 842 CB GLU A 59 3.007 -6.413 4.254 1.00 40.14 C ATOM 843 CG GLU A 59 3.120 -6.156 5.747 1.00 3.12 C ATOM 844 CD GLU A 59 1.824 -5.655 6.352 1.00 61.30 C ATOM 845 OE1 GLU A 59 0.916 -6.481 6.582 1.00 63.04 O ATOM 846 OE2 GLU A 59 1.718 -4.434 6.597 1.00 55.11 O ATOM 0 H GLU A 59 3.568 -5.395 1.461 1.00 75.12 H new ATOM 0 HA GLU A 59 1.976 -4.596 3.742 1.00 51.41 H new ATOM 0 HB2 GLU A 59 2.145 -7.054 4.068 1.00 40.14 H new ATOM 0 HB3 GLU A 59 3.889 -6.960 3.920 1.00 40.14 H new ATOM 0 HG2 GLU A 59 3.419 -7.076 6.249 1.00 3.12 H new ATOM 0 HG3 GLU A 59 3.908 -5.424 5.927 1.00 3.12 H new ATOM 851 N ASP A 60 5.233 -4.681 3.148 1.00 53.51 N ATOM 852 CA ASP A 60 6.468 -3.918 3.288 1.00 2.53 C ATOM 853 C ASP A 60 6.277 -2.484 2.806 1.00 20.44 C ATOM 854 O ASP A 60 5.552 -2.231 1.844 1.00 65.35 O ATOM 855 CB ASP A 60 7.597 -4.587 2.501 1.00 71.42 C ATOM 856 CG ASP A 60 8.652 -5.191 3.406 1.00 43.45 C ATOM 857 OD1 ASP A 60 8.985 -4.563 4.432 1.00 41.30 O ATOM 858 OD2 ASP A 60 9.147 -6.293 3.087 1.00 70.12 O ATOM 0 H ASP A 60 5.337 -5.565 2.649 1.00 53.51 H new ATOM 0 HA ASP A 60 6.735 -3.895 4.345 1.00 2.53 H new ATOM 0 HB2 ASP A 60 7.180 -5.366 1.863 1.00 71.42 H new ATOM 0 HB3 ASP A 60 8.063 -3.853 1.844 1.00 71.42 H new ATOM 862 N GLY A 61 6.932 -1.545 3.484 1.00 60.44 N ATOM 863 CA GLY A 61 6.821 -0.147 3.113 1.00 13.15 C ATOM 864 C GLY A 61 8.094 0.391 2.494 1.00 25.23 C ATOM 865 O GLY A 61 8.924 0.986 3.183 1.00 65.51 O ATOM 0 H GLY A 61 7.538 -1.729 4.284 1.00 60.44 H new ATOM 0 HA2 GLY A 61 5.998 -0.026 2.408 1.00 13.15 H new ATOM 0 HA3 GLY A 61 6.573 0.442 3.996 1.00 13.15 H new ATOM 869 N ARG A 62 8.252 0.184 1.191 1.00 54.41 N ATOM 870 CA ARG A 62 9.436 0.650 0.480 1.00 73.03 C ATOM 871 C ARG A 62 9.046 1.427 -0.774 1.00 3.43 C ATOM 872 O ARG A 62 7.884 1.433 -1.179 1.00 54.30 O ATOM 873 CB ARG A 62 10.330 -0.533 0.103 1.00 2.14 C ATOM 874 CG ARG A 62 10.852 -1.308 1.301 1.00 3.41 C ATOM 875 CD ARG A 62 12.080 -0.644 1.903 1.00 31.24 C ATOM 876 NE ARG A 62 12.916 -1.596 2.629 1.00 3.31 N ATOM 877 CZ ARG A 62 14.185 -1.365 2.949 1.00 5.15 C ATOM 878 NH1 ARG A 62 14.759 -0.219 2.609 1.00 42.11 N ATOM 879 NH2 ARG A 62 14.882 -2.280 3.610 1.00 12.22 N ATOM 0 H ARG A 62 7.574 -0.304 0.606 1.00 54.41 H new ATOM 0 HA ARG A 62 9.988 1.316 1.143 1.00 73.03 H new ATOM 0 HB2 ARG A 62 9.769 -1.210 -0.541 1.00 2.14 H new ATOM 0 HB3 ARG A 62 11.176 -0.167 -0.479 1.00 2.14 H new ATOM 0 HG2 ARG A 62 10.070 -1.382 2.057 1.00 3.41 H new ATOM 0 HG3 ARG A 62 11.099 -2.325 0.998 1.00 3.41 H new ATOM 0 HD2 ARG A 62 12.666 -0.178 1.110 1.00 31.24 H new ATOM 0 HD3 ARG A 62 11.767 0.152 2.578 1.00 31.24 H new ATOM 0 HE ARG A 62 12.503 -2.487 2.906 1.00 3.31 H new ATOM 0 HH11 ARG A 62 14.226 0.487 2.101 1.00 42.11 H new ATOM 0 HH12 ARG A 62 15.733 -0.044 2.856 1.00 42.11 H new ATOM 0 HH21 ARG A 62 14.444 -3.163 3.874 1.00 12.22 H new ATOM 0 HH22 ARG A 62 15.856 -2.101 3.855 1.00 12.22 H new ATOM 890 N THR A 63 10.027 2.084 -1.386 1.00 60.33 N ATOM 891 CA THR A 63 9.787 2.866 -2.592 1.00 43.51 C ATOM 892 C THR A 63 9.656 1.965 -3.815 1.00 64.33 C ATOM 893 O THR A 63 10.125 0.826 -3.811 1.00 3.30 O ATOM 894 CB THR A 63 10.918 3.883 -2.837 1.00 0.10 C ATOM 895 OG1 THR A 63 12.089 3.209 -3.310 1.00 54.01 O ATOM 896 CG2 THR A 63 11.246 4.645 -1.562 1.00 34.21 C ATOM 0 H THR A 63 10.995 2.090 -1.066 1.00 60.33 H new ATOM 0 HA THR A 63 8.852 3.404 -2.438 1.00 43.51 H new ATOM 0 HB THR A 63 10.580 4.595 -3.590 1.00 0.10 H new ATOM 0 HG1 THR A 63 12.803 3.863 -3.465 1.00 54.01 H new ATOM 0 HG21 THR A 63 12.047 5.357 -1.760 1.00 34.21 H new ATOM 0 HG22 THR A 63 10.360 5.181 -1.220 1.00 34.21 H new ATOM 0 HG23 THR A 63 11.566 3.944 -0.791 1.00 34.21 H new ATOM 904 N LEU A 64 9.018 2.481 -4.858 1.00 11.22 N ATOM 905 CA LEU A 64 8.826 1.722 -6.090 1.00 31.10 C ATOM 906 C LEU A 64 10.161 1.445 -6.772 1.00 24.10 C ATOM 907 O LEU A 64 10.354 0.390 -7.376 1.00 72.44 O ATOM 908 CB LEU A 64 7.902 2.483 -7.042 1.00 54.20 C ATOM 909 CG LEU A 64 6.706 3.186 -6.398 1.00 14.13 C ATOM 910 CD1 LEU A 64 5.764 3.724 -7.465 1.00 44.33 C ATOM 911 CD2 LEU A 64 5.969 2.238 -5.464 1.00 53.42 C ATOM 0 H LEU A 64 8.624 3.422 -4.877 1.00 11.22 H new ATOM 0 HA LEU A 64 8.366 0.768 -5.832 1.00 31.10 H new ATOM 0 HB2 LEU A 64 8.494 3.229 -7.572 1.00 54.20 H new ATOM 0 HB3 LEU A 64 7.528 1.783 -7.789 1.00 54.20 H new ATOM 0 HG LEU A 64 7.077 4.027 -5.812 1.00 14.13 H new ATOM 0 HD11 LEU A 64 4.919 4.221 -6.988 1.00 44.33 H new ATOM 0 HD12 LEU A 64 6.296 4.437 -8.094 1.00 44.33 H new ATOM 0 HD13 LEU A 64 5.401 2.900 -8.079 1.00 44.33 H new ATOM 0 HD21 LEU A 64 5.121 2.756 -5.015 1.00 53.42 H new ATOM 0 HD22 LEU A 64 5.611 1.377 -6.028 1.00 53.42 H new ATOM 0 HD23 LEU A 64 6.646 1.902 -4.679 1.00 53.42 H new ATOM 922 N SER A 65 11.081 2.399 -6.671 1.00 22.42 N ATOM 923 CA SER A 65 12.399 2.259 -7.279 1.00 1.21 C ATOM 924 C SER A 65 13.241 1.235 -6.523 1.00 10.24 C ATOM 925 O SER A 65 14.029 0.504 -7.120 1.00 61.23 O ATOM 926 CB SER A 65 13.118 3.608 -7.305 1.00 23.34 C ATOM 927 OG SER A 65 14.449 3.468 -7.773 1.00 33.23 O ATOM 0 H SER A 65 10.938 3.278 -6.173 1.00 22.42 H new ATOM 0 HA SER A 65 12.264 1.908 -8.302 1.00 1.21 H new ATOM 0 HB2 SER A 65 12.574 4.301 -7.947 1.00 23.34 H new ATOM 0 HB3 SER A 65 13.125 4.039 -6.304 1.00 23.34 H new ATOM 0 HG SER A 65 14.887 4.345 -7.782 1.00 33.23 H new ATOM 932 N GLU A 66 13.065 1.191 -5.206 1.00 23.54 N ATOM 933 CA GLU A 66 13.809 0.258 -4.368 1.00 23.35 C ATOM 934 C GLU A 66 13.264 -1.159 -4.516 1.00 42.20 C ATOM 935 O GLU A 66 14.025 -2.125 -4.574 1.00 45.43 O ATOM 936 CB GLU A 66 13.742 0.691 -2.902 1.00 43.34 C ATOM 937 CG GLU A 66 14.704 1.815 -2.554 1.00 43.52 C ATOM 938 CD GLU A 66 16.089 1.309 -2.199 1.00 75.04 C ATOM 939 OE1 GLU A 66 16.183 0.284 -1.492 1.00 13.13 O ATOM 940 OE2 GLU A 66 17.078 1.938 -2.629 1.00 71.11 O ATOM 0 H GLU A 66 12.415 1.790 -4.697 1.00 23.54 H new ATOM 0 HA GLU A 66 14.849 0.265 -4.695 1.00 23.35 H new ATOM 0 HB2 GLU A 66 12.725 1.010 -2.672 1.00 43.34 H new ATOM 0 HB3 GLU A 66 13.957 -0.169 -2.268 1.00 43.34 H new ATOM 0 HG2 GLU A 66 14.777 2.500 -3.399 1.00 43.52 H new ATOM 0 HG3 GLU A 66 14.303 2.384 -1.715 1.00 43.52 H new ATOM 945 N TYR A 67 11.942 -1.276 -4.577 1.00 64.35 N ATOM 946 CA TYR A 67 11.295 -2.575 -4.716 1.00 41.03 C ATOM 947 C TYR A 67 11.194 -2.979 -6.184 1.00 74.34 C ATOM 948 O TYR A 67 10.806 -4.102 -6.504 1.00 50.32 O ATOM 949 CB TYR A 67 9.902 -2.544 -4.086 1.00 54.01 C ATOM 950 CG TYR A 67 9.653 -3.672 -3.111 1.00 73.45 C ATOM 951 CD1 TYR A 67 10.065 -4.968 -3.397 1.00 71.52 C ATOM 952 CD2 TYR A 67 9.005 -3.442 -1.903 1.00 54.21 C ATOM 953 CE1 TYR A 67 9.839 -6.001 -2.509 1.00 74.24 C ATOM 954 CE2 TYR A 67 8.777 -4.470 -1.008 1.00 15.42 C ATOM 955 CZ TYR A 67 9.195 -5.748 -1.316 1.00 2.01 C ATOM 956 OH TYR A 67 8.967 -6.775 -0.428 1.00 2.13 O ATOM 0 H TYR A 67 11.298 -0.487 -4.532 1.00 64.35 H new ATOM 0 HA TYR A 67 11.905 -3.314 -4.196 1.00 41.03 H new ATOM 0 HB2 TYR A 67 9.767 -1.593 -3.571 1.00 54.01 H new ATOM 0 HB3 TYR A 67 9.154 -2.587 -4.877 1.00 54.01 H new ATOM 0 HD1 TYR A 67 10.571 -5.171 -4.330 1.00 71.52 H new ATOM 0 HD2 TYR A 67 8.674 -2.443 -1.660 1.00 54.21 H new ATOM 0 HE1 TYR A 67 10.165 -7.003 -2.748 1.00 74.24 H new ATOM 0 HE2 TYR A 67 8.274 -4.274 -0.072 1.00 15.42 H new ATOM 0 HH TYR A 67 8.504 -6.427 0.363 1.00 2.13 H new ATOM 965 N ASN A 68 11.545 -2.054 -7.071 1.00 72.42 N ATOM 966 CA ASN A 68 11.494 -2.312 -8.505 1.00 54.51 C ATOM 967 C ASN A 68 10.138 -2.886 -8.906 1.00 61.03 C ATOM 968 O ASN A 68 10.063 -3.896 -9.606 1.00 4.15 O ATOM 969 CB ASN A 68 12.609 -3.278 -8.910 1.00 50.44 C ATOM 970 CG ASN A 68 13.986 -2.755 -8.550 1.00 33.14 C ATOM 971 OD1 ASN A 68 14.629 -3.253 -7.626 1.00 40.53 O ATOM 972 ND2 ASN A 68 14.444 -1.744 -9.279 1.00 53.34 N ATOM 0 H ASN A 68 11.868 -1.119 -6.822 1.00 72.42 H new ATOM 0 HA ASN A 68 11.636 -1.365 -9.025 1.00 54.51 H new ATOM 0 HB2 ASN A 68 12.449 -4.239 -8.421 1.00 50.44 H new ATOM 0 HB3 ASN A 68 12.560 -3.455 -9.984 1.00 50.44 H new ATOM 0 HD21 ASN A 68 15.364 -1.349 -9.082 1.00 53.34 H new ATOM 0 HD22 ASN A 68 13.876 -1.363 -10.036 1.00 53.34 H new ATOM 978 N ILE A 69 9.070 -2.236 -8.458 1.00 32.32 N ATOM 979 CA ILE A 69 7.718 -2.679 -8.771 1.00 52.55 C ATOM 980 C ILE A 69 6.994 -1.663 -9.648 1.00 64.34 C ATOM 981 O ILE A 69 7.382 -0.497 -9.711 1.00 5.01 O ATOM 982 CB ILE A 69 6.892 -2.917 -7.493 1.00 41.32 C ATOM 983 CG1 ILE A 69 7.080 -1.756 -6.515 1.00 11.04 C ATOM 984 CG2 ILE A 69 7.291 -4.234 -6.842 1.00 23.33 C ATOM 985 CD1 ILE A 69 6.335 -1.937 -5.211 1.00 11.14 C ATOM 0 H ILE A 69 9.115 -1.399 -7.876 1.00 32.32 H new ATOM 0 HA ILE A 69 7.814 -3.620 -9.313 1.00 52.55 H new ATOM 0 HB ILE A 69 5.838 -2.972 -7.764 1.00 41.32 H new ATOM 0 HG12 ILE A 69 8.143 -1.638 -6.303 1.00 11.04 H new ATOM 0 HG13 ILE A 69 6.746 -0.834 -6.990 1.00 11.04 H new ATOM 0 HG21 ILE A 69 6.699 -4.388 -5.940 1.00 23.33 H new ATOM 0 HG22 ILE A 69 7.112 -5.053 -7.538 1.00 23.33 H new ATOM 0 HG23 ILE A 69 8.349 -4.205 -6.581 1.00 23.33 H new ATOM 0 HD11 ILE A 69 6.514 -1.076 -4.567 1.00 11.14 H new ATOM 0 HD12 ILE A 69 5.267 -2.024 -5.411 1.00 11.14 H new ATOM 0 HD13 ILE A 69 6.686 -2.841 -4.714 1.00 11.14 H new ATOM 996 N GLN A 70 5.941 -2.113 -10.321 1.00 74.25 N ATOM 997 CA GLN A 70 5.162 -1.242 -11.193 1.00 2.31 C ATOM 998 C GLN A 70 3.920 -0.724 -10.477 1.00 73.52 C ATOM 999 O GLN A 70 2.792 -1.029 -10.866 1.00 30.02 O ATOM 1000 CB GLN A 70 4.758 -1.989 -12.465 1.00 0.02 C ATOM 1001 CG GLN A 70 5.906 -2.198 -13.439 1.00 70.10 C ATOM 1002 CD GLN A 70 5.458 -2.829 -14.743 1.00 74.22 C ATOM 1003 OE1 GLN A 70 5.037 -3.986 -14.773 1.00 21.45 O ATOM 1004 NE2 GLN A 70 5.546 -2.070 -15.829 1.00 3.41 N ATOM 0 H GLN A 70 5.607 -3.076 -10.279 1.00 74.25 H new ATOM 0 HA GLN A 70 5.785 -0.389 -11.463 1.00 2.31 H new ATOM 0 HB2 GLN A 70 4.344 -2.959 -12.190 1.00 0.02 H new ATOM 0 HB3 GLN A 70 3.964 -1.434 -12.966 1.00 0.02 H new ATOM 0 HG2 GLN A 70 6.379 -1.239 -13.648 1.00 70.10 H new ATOM 0 HG3 GLN A 70 6.661 -2.832 -12.974 1.00 70.10 H new ATOM 0 HE21 GLN A 70 5.901 -1.116 -15.757 1.00 3.41 H new ATOM 0 HE22 GLN A 70 5.259 -2.441 -16.735 1.00 3.41 H new ATOM 1011 N LYS A 71 4.132 0.061 -9.426 1.00 64.12 N ATOM 1012 CA LYS A 71 3.031 0.624 -8.654 1.00 13.55 C ATOM 1013 C LYS A 71 2.670 2.018 -9.157 1.00 41.54 C ATOM 1014 O LYS A 71 1.964 2.766 -8.483 1.00 30.32 O ATOM 1015 CB LYS A 71 3.399 0.684 -7.170 1.00 11.43 C ATOM 1016 CG LYS A 71 3.124 -0.608 -6.421 1.00 12.42 C ATOM 1017 CD LYS A 71 3.510 -0.498 -4.956 1.00 4.33 C ATOM 1018 CE LYS A 71 2.374 0.074 -4.122 1.00 64.13 C ATOM 1019 NZ LYS A 71 2.748 0.193 -2.685 1.00 3.22 N ATOM 0 H LYS A 71 5.059 0.322 -9.089 1.00 64.12 H new ATOM 0 HA LYS A 71 2.164 -0.024 -8.780 1.00 13.55 H new ATOM 0 HB2 LYS A 71 4.457 0.930 -7.077 1.00 11.43 H new ATOM 0 HB3 LYS A 71 2.841 1.493 -6.699 1.00 11.43 H new ATOM 0 HG2 LYS A 71 2.066 -0.858 -6.501 1.00 12.42 H new ATOM 0 HG3 LYS A 71 3.680 -1.423 -6.884 1.00 12.42 H new ATOM 0 HD2 LYS A 71 3.782 -1.482 -4.575 1.00 4.33 H new ATOM 0 HD3 LYS A 71 4.391 0.137 -4.857 1.00 4.33 H new ATOM 0 HE2 LYS A 71 2.098 1.055 -4.508 1.00 64.13 H new ATOM 0 HE3 LYS A 71 1.496 -0.565 -4.217 1.00 64.13 H new ATOM 0 HZ1 LYS A 71 1.974 0.649 -2.161 1.00 3.22 H new ATOM 0 HZ2 LYS A 71 2.921 -0.754 -2.292 1.00 3.22 H new ATOM 0 HZ3 LYS A 71 3.610 0.767 -2.597 1.00 3.22 H new ATOM 1029 N GLU A 72 3.159 2.359 -10.345 1.00 62.02 N ATOM 1030 CA GLU A 72 2.887 3.663 -10.937 1.00 61.43 C ATOM 1031 C GLU A 72 1.851 3.550 -12.050 1.00 22.24 C ATOM 1032 O GLU A 72 1.965 4.202 -13.089 1.00 72.12 O ATOM 1033 CB GLU A 72 4.176 4.278 -11.486 1.00 63.22 C ATOM 1034 CG GLU A 72 4.758 3.520 -12.667 1.00 14.24 C ATOM 1035 CD GLU A 72 6.267 3.398 -12.597 1.00 34.04 C ATOM 1036 OE1 GLU A 72 6.901 4.242 -11.930 1.00 44.52 O ATOM 1037 OE2 GLU A 72 6.814 2.456 -13.209 1.00 31.31 O ATOM 0 H GLU A 72 3.745 1.750 -10.916 1.00 62.02 H new ATOM 0 HA GLU A 72 2.487 4.311 -10.157 1.00 61.43 H new ATOM 0 HB2 GLU A 72 3.978 5.307 -11.787 1.00 63.22 H new ATOM 0 HB3 GLU A 72 4.918 4.317 -10.689 1.00 63.22 H new ATOM 0 HG2 GLU A 72 4.318 2.523 -12.706 1.00 14.24 H new ATOM 0 HG3 GLU A 72 4.481 4.027 -13.591 1.00 14.24 H new ATOM 1042 N SER A 73 0.839 2.717 -11.827 1.00 20.42 N ATOM 1043 CA SER A 73 -0.216 2.515 -12.812 1.00 51.55 C ATOM 1044 C SER A 73 -1.591 2.550 -12.151 1.00 44.41 C ATOM 1045 O SER A 73 -2.306 3.549 -12.230 1.00 4.42 O ATOM 1046 CB SER A 73 -0.019 1.180 -13.535 1.00 21.10 C ATOM 1047 OG SER A 73 -1.202 0.784 -14.207 1.00 60.15 O ATOM 0 H SER A 73 0.728 2.171 -10.972 1.00 20.42 H new ATOM 0 HA SER A 73 -0.161 3.326 -13.539 1.00 51.55 H new ATOM 0 HB2 SER A 73 0.798 1.268 -14.251 1.00 21.10 H new ATOM 0 HB3 SER A 73 0.269 0.413 -12.816 1.00 21.10 H new ATOM 0 HG SER A 73 -1.879 0.521 -13.549 1.00 60.15 H new ATOM 1052 N THR A 74 -1.956 1.450 -11.499 1.00 64.01 N ATOM 1053 CA THR A 74 -3.244 1.353 -10.826 1.00 55.35 C ATOM 1054 C THR A 74 -3.093 0.746 -9.435 1.00 34.32 C ATOM 1055 O THR A 74 -2.792 -0.440 -9.293 1.00 33.21 O ATOM 1056 CB THR A 74 -4.240 0.504 -11.638 1.00 75.11 C ATOM 1057 OG1 THR A 74 -3.711 0.242 -12.942 1.00 55.34 O ATOM 1058 CG2 THR A 74 -5.580 1.214 -11.762 1.00 73.11 C ATOM 0 H THR A 74 -1.377 0.614 -11.423 1.00 64.01 H new ATOM 0 HA THR A 74 -3.631 2.368 -10.737 1.00 55.35 H new ATOM 0 HB THR A 74 -4.393 -0.439 -11.113 1.00 75.11 H new ATOM 0 HG1 THR A 74 -4.349 -0.300 -13.451 1.00 55.34 H new ATOM 0 HG21 THR A 74 -6.267 0.596 -12.339 1.00 73.11 H new ATOM 0 HG22 THR A 74 -5.994 1.386 -10.768 1.00 73.11 H new ATOM 0 HG23 THR A 74 -5.440 2.170 -12.267 1.00 73.11 H new ATOM 1066 N LEU A 75 -3.304 1.565 -8.411 1.00 50.13 N ATOM 1067 CA LEU A 75 -3.192 1.109 -7.030 1.00 52.25 C ATOM 1068 C LEU A 75 -4.424 1.507 -6.223 1.00 63.42 C ATOM 1069 O LEU A 75 -4.960 2.604 -6.390 1.00 62.43 O ATOM 1070 CB LEU A 75 -1.934 1.687 -6.381 1.00 2.02 C ATOM 1071 CG LEU A 75 -0.768 0.716 -6.196 1.00 61.24 C ATOM 1072 CD1 LEU A 75 -0.977 -0.138 -4.954 1.00 24.03 C ATOM 1073 CD2 LEU A 75 -0.603 -0.161 -7.427 1.00 43.25 C ATOM 0 H LEU A 75 -3.554 2.549 -8.511 1.00 50.13 H new ATOM 0 HA LEU A 75 -3.122 0.021 -7.038 1.00 52.25 H new ATOM 0 HB2 LEU A 75 -1.590 2.526 -6.986 1.00 2.02 H new ATOM 0 HB3 LEU A 75 -2.205 2.088 -5.404 1.00 2.02 H new ATOM 0 HG LEU A 75 0.145 1.296 -6.064 1.00 61.24 H new ATOM 0 HD11 LEU A 75 -0.137 -0.823 -4.838 1.00 24.03 H new ATOM 0 HD12 LEU A 75 -1.044 0.506 -4.077 1.00 24.03 H new ATOM 0 HD13 LEU A 75 -1.900 -0.709 -5.056 1.00 24.03 H new ATOM 0 HD21 LEU A 75 0.232 -0.846 -7.277 1.00 43.25 H new ATOM 0 HD22 LEU A 75 -1.516 -0.733 -7.591 1.00 43.25 H new ATOM 0 HD23 LEU A 75 -0.406 0.466 -8.297 1.00 43.25 H new ATOM 1084 N HIS A 76 -4.867 0.612 -5.346 1.00 44.44 N ATOM 1085 CA HIS A 76 -6.033 0.872 -4.511 1.00 35.22 C ATOM 1086 C HIS A 76 -5.767 0.465 -3.065 1.00 60.41 C ATOM 1087 O HIS A 76 -5.685 -0.722 -2.747 1.00 51.20 O ATOM 1088 CB HIS A 76 -7.250 0.119 -5.048 1.00 12.43 C ATOM 1089 CG HIS A 76 -7.095 -0.332 -6.469 1.00 74.31 C ATOM 1090 ND1 HIS A 76 -7.380 0.475 -7.550 1.00 43.44 N ATOM 1091 CD2 HIS A 76 -6.682 -1.515 -6.981 1.00 1.44 C ATOM 1092 CE1 HIS A 76 -7.149 -0.192 -8.667 1.00 62.33 C ATOM 1093 NE2 HIS A 76 -6.725 -1.402 -8.350 1.00 62.11 N ATOM 0 H HIS A 76 -4.436 -0.300 -5.195 1.00 44.44 H new ATOM 0 HA HIS A 76 -6.236 1.943 -4.538 1.00 35.22 H new ATOM 0 HB2 HIS A 76 -7.437 -0.750 -4.418 1.00 12.43 H new ATOM 0 HB3 HIS A 76 -8.127 0.762 -4.973 1.00 12.43 H new ATOM 0 HD2 HIS A 76 -6.376 -2.385 -6.419 1.00 1.44 H new ATOM 0 HE1 HIS A 76 -7.284 0.188 -9.669 1.00 62.33 H new ATOM 0 HE2 HIS A 76 -6.471 -2.134 -9.014 1.00 62.11 H new ATOM 1100 N LEU A 77 -5.632 1.458 -2.191 1.00 52.43 N ATOM 1101 CA LEU A 77 -5.375 1.203 -0.778 1.00 23.12 C ATOM 1102 C LEU A 77 -6.348 1.980 0.101 1.00 35.35 C ATOM 1103 O LEU A 77 -6.126 3.152 0.407 1.00 74.12 O ATOM 1104 CB LEU A 77 -3.936 1.584 -0.425 1.00 70.00 C ATOM 1105 CG LEU A 77 -3.352 2.778 -1.183 1.00 72.13 C ATOM 1106 CD1 LEU A 77 -2.566 3.675 -0.240 1.00 71.31 C ATOM 1107 CD2 LEU A 77 -2.471 2.303 -2.328 1.00 4.53 C ATOM 0 H LEU A 77 -5.696 2.446 -2.436 1.00 52.43 H new ATOM 0 HA LEU A 77 -5.519 0.138 -0.594 1.00 23.12 H new ATOM 0 HB2 LEU A 77 -3.890 1.799 0.643 1.00 70.00 H new ATOM 0 HB3 LEU A 77 -3.298 0.718 -0.604 1.00 70.00 H new ATOM 0 HG LEU A 77 -4.175 3.357 -1.601 1.00 72.13 H new ATOM 0 HD11 LEU A 77 -2.158 4.519 -0.796 1.00 71.31 H new ATOM 0 HD12 LEU A 77 -3.225 4.043 0.546 1.00 71.31 H new ATOM 0 HD13 LEU A 77 -1.750 3.107 0.207 1.00 71.31 H new ATOM 0 HD21 LEU A 77 -2.064 3.165 -2.856 1.00 4.53 H new ATOM 0 HD22 LEU A 77 -1.653 1.701 -1.932 1.00 4.53 H new ATOM 0 HD23 LEU A 77 -3.063 1.702 -3.018 1.00 4.53 H new ATOM 1118 N VAL A 78 -7.428 1.319 0.507 1.00 14.24 N ATOM 1119 CA VAL A 78 -8.436 1.946 1.355 1.00 4.25 C ATOM 1120 C VAL A 78 -9.129 0.916 2.238 1.00 13.31 C ATOM 1121 O VAL A 78 -9.429 -0.195 1.797 1.00 52.22 O ATOM 1122 CB VAL A 78 -9.496 2.684 0.514 1.00 63.13 C ATOM 1123 CG1 VAL A 78 -10.570 1.716 0.043 1.00 10.02 C ATOM 1124 CG2 VAL A 78 -10.108 3.825 1.312 1.00 3.10 C ATOM 0 H VAL A 78 -7.627 0.349 0.262 1.00 14.24 H new ATOM 0 HA VAL A 78 -7.916 2.668 1.985 1.00 4.25 H new ATOM 0 HB VAL A 78 -9.009 3.106 -0.365 1.00 63.13 H new ATOM 0 HG11 VAL A 78 -11.310 2.254 -0.549 1.00 10.02 H new ATOM 0 HG12 VAL A 78 -10.115 0.936 -0.567 1.00 10.02 H new ATOM 0 HG13 VAL A 78 -11.056 1.263 0.907 1.00 10.02 H new ATOM 0 HG21 VAL A 78 -10.854 4.335 0.703 1.00 3.10 H new ATOM 0 HG22 VAL A 78 -10.582 3.428 2.210 1.00 3.10 H new ATOM 0 HG23 VAL A 78 -9.327 4.530 1.596 1.00 3.10 H new ATOM 1134 N LEU A 79 -9.384 1.291 3.487 1.00 44.34 N ATOM 1135 CA LEU A 79 -10.044 0.399 4.433 1.00 73.42 C ATOM 1136 C LEU A 79 -11.395 0.964 4.862 1.00 62.23 C ATOM 1137 O LEU A 79 -11.462 1.969 5.571 1.00 25.31 O ATOM 1138 CB LEU A 79 -9.157 0.180 5.661 1.00 1.43 C ATOM 1139 CG LEU A 79 -9.625 -0.893 6.644 1.00 42.33 C ATOM 1140 CD1 LEU A 79 -9.630 -2.261 5.979 1.00 2.31 C ATOM 1141 CD2 LEU A 79 -8.741 -0.904 7.882 1.00 31.11 C ATOM 0 H LEU A 79 -9.144 2.206 3.868 1.00 44.34 H new ATOM 0 HA LEU A 79 -10.211 -0.557 3.937 1.00 73.42 H new ATOM 0 HB2 LEU A 79 -8.155 -0.081 5.319 1.00 1.43 H new ATOM 0 HB3 LEU A 79 -9.074 1.125 6.198 1.00 1.43 H new ATOM 0 HG LEU A 79 -10.644 -0.657 6.951 1.00 42.33 H new ATOM 0 HD11 LEU A 79 -9.966 -3.012 6.694 1.00 2.31 H new ATOM 0 HD12 LEU A 79 -10.305 -2.247 5.123 1.00 2.31 H new ATOM 0 HD13 LEU A 79 -8.623 -2.506 5.642 1.00 2.31 H new ATOM 0 HD21 LEU A 79 -9.089 -1.674 8.571 1.00 31.11 H new ATOM 0 HD22 LEU A 79 -7.712 -1.115 7.592 1.00 31.11 H new ATOM 0 HD23 LEU A 79 -8.788 0.069 8.371 1.00 31.11 H new ATOM 1152 N ARG A 80 -12.467 0.310 4.431 1.00 32.23 N ATOM 1153 CA ARG A 80 -13.816 0.746 4.771 1.00 71.44 C ATOM 1154 C ARG A 80 -13.948 2.261 4.636 1.00 55.55 C ATOM 1155 O ARG A 80 -13.968 2.984 5.633 1.00 2.04 O ATOM 1156 CB ARG A 80 -14.169 0.317 6.196 1.00 33.45 C ATOM 1157 CG ARG A 80 -15.642 0.481 6.534 1.00 73.55 C ATOM 1158 CD ARG A 80 -16.100 -0.557 7.547 1.00 2.20 C ATOM 1159 NE ARG A 80 -16.475 -1.816 6.908 1.00 11.03 N ATOM 1160 CZ ARG A 80 -17.106 -2.801 7.539 1.00 65.43 C ATOM 1161 NH1 ARG A 80 -17.428 -2.673 8.819 1.00 33.23 N ATOM 1162 NH2 ARG A 80 -17.412 -3.916 6.890 1.00 73.30 N ATOM 0 H ARG A 80 -12.428 -0.524 3.845 1.00 32.23 H new ATOM 0 HA ARG A 80 -14.510 0.275 4.075 1.00 71.44 H new ATOM 0 HB2 ARG A 80 -13.888 -0.727 6.332 1.00 33.45 H new ATOM 0 HB3 ARG A 80 -13.576 0.901 6.900 1.00 33.45 H new ATOM 0 HG2 ARG A 80 -15.816 1.481 6.932 1.00 73.55 H new ATOM 0 HG3 ARG A 80 -16.237 0.391 5.625 1.00 73.55 H new ATOM 0 HD2 ARG A 80 -15.301 -0.739 8.266 1.00 2.20 H new ATOM 0 HD3 ARG A 80 -16.950 -0.167 8.107 1.00 2.20 H new ATOM 0 HE ARG A 80 -16.240 -1.946 5.924 1.00 11.03 H new ATOM 0 HH11 ARG A 80 -17.191 -1.817 9.321 1.00 33.23 H new ATOM 0 HH12 ARG A 80 -17.912 -3.430 9.301 1.00 33.23 H new ATOM 0 HH21 ARG A 80 -17.163 -4.018 5.906 1.00 73.30 H new ATOM 0 HH22 ARG A 80 -17.896 -4.672 7.375 1.00 73.30 H new ATOM 1173 N LEU A 81 -14.038 2.733 3.398 1.00 50.32 N ATOM 1174 CA LEU A 81 -14.167 4.161 3.131 1.00 15.01 C ATOM 1175 C LEU A 81 -15.297 4.769 3.958 1.00 11.05 C ATOM 1176 O LEU A 81 -16.083 4.050 4.575 1.00 34.31 O ATOM 1177 CB LEU A 81 -14.424 4.401 1.642 1.00 62.51 C ATOM 1178 CG LEU A 81 -15.828 4.064 1.140 1.00 11.20 C ATOM 1179 CD1 LEU A 81 -16.292 2.732 1.707 1.00 53.34 C ATOM 1180 CD2 LEU A 81 -16.806 5.171 1.505 1.00 3.05 C ATOM 0 H LEU A 81 -14.024 2.148 2.563 1.00 50.32 H new ATOM 0 HA LEU A 81 -13.232 4.645 3.414 1.00 15.01 H new ATOM 0 HB2 LEU A 81 -14.224 5.450 1.424 1.00 62.51 H new ATOM 0 HB3 LEU A 81 -13.705 3.814 1.071 1.00 62.51 H new ATOM 0 HG LEU A 81 -15.794 3.981 0.054 1.00 11.20 H new ATOM 0 HD11 LEU A 81 -17.293 2.509 1.339 1.00 53.34 H new ATOM 0 HD12 LEU A 81 -15.606 1.945 1.394 1.00 53.34 H new ATOM 0 HD13 LEU A 81 -16.310 2.786 2.796 1.00 53.34 H new ATOM 0 HD21 LEU A 81 -17.800 4.913 1.139 1.00 3.05 H new ATOM 0 HD22 LEU A 81 -16.837 5.287 2.588 1.00 3.05 H new ATOM 0 HD23 LEU A 81 -16.483 6.107 1.049 1.00 3.05 H new ATOM 1191 N ARG A 82 -15.372 6.095 3.962 1.00 24.22 N ATOM 1192 CA ARG A 82 -16.406 6.800 4.711 1.00 70.20 C ATOM 1193 C ARG A 82 -16.271 8.310 4.536 1.00 71.43 C ATOM 1194 O ARG A 82 -15.169 8.829 4.365 1.00 65.22 O ATOM 1195 CB ARG A 82 -16.326 6.438 6.195 1.00 74.03 C ATOM 1196 CG ARG A 82 -17.643 5.951 6.775 1.00 73.10 C ATOM 1197 CD ARG A 82 -17.898 6.543 8.153 1.00 14.34 C ATOM 1198 NE ARG A 82 -19.142 6.050 8.738 1.00 70.11 N ATOM 1199 CZ ARG A 82 -19.436 6.149 10.030 1.00 31.42 C ATOM 1200 NH1 ARG A 82 -18.581 6.722 10.866 1.00 44.32 N ATOM 1201 NH2 ARG A 82 -20.589 5.677 10.488 1.00 41.50 N ATOM 0 H ARG A 82 -14.729 6.704 3.455 1.00 24.22 H new ATOM 0 HA ARG A 82 -17.376 6.492 4.321 1.00 70.20 H new ATOM 0 HB2 ARG A 82 -15.571 5.664 6.331 1.00 74.03 H new ATOM 0 HB3 ARG A 82 -15.993 7.311 6.756 1.00 74.03 H new ATOM 0 HG2 ARG A 82 -18.459 6.221 6.105 1.00 73.10 H new ATOM 0 HG3 ARG A 82 -17.632 4.863 6.841 1.00 73.10 H new ATOM 0 HD2 ARG A 82 -17.065 6.299 8.812 1.00 14.34 H new ATOM 0 HD3 ARG A 82 -17.938 7.630 8.079 1.00 14.34 H new ATOM 0 HE ARG A 82 -19.822 5.606 8.121 1.00 70.11 H new ATOM 0 HH11 ARG A 82 -17.695 7.088 10.518 1.00 44.32 H new ATOM 0 HH12 ARG A 82 -18.809 6.797 11.857 1.00 44.32 H new ATOM 0 HH21 ARG A 82 -21.251 5.238 9.848 1.00 41.50 H new ATOM 0 HH22 ARG A 82 -20.813 5.754 11.480 1.00 41.50 H new ATOM 1212 N GLY A 83 -17.400 9.009 4.580 1.00 75.35 N ATOM 1213 CA GLY A 83 -17.387 10.452 4.425 1.00 22.20 C ATOM 1214 C GLY A 83 -16.904 10.883 3.055 1.00 4.41 C ATOM 1215 O GLY A 83 -16.215 10.129 2.367 1.00 43.52 O ATOM 0 H GLY A 83 -18.325 8.602 4.720 1.00 75.35 H new ATOM 0 HA2 GLY A 83 -18.391 10.841 4.592 1.00 22.20 H new ATOM 0 HA3 GLY A 83 -16.744 10.891 5.188 1.00 22.20 H new ATOM 1219 N TYR A 84 -17.266 12.097 2.657 1.00 24.20 N ATOM 1220 CA TYR A 84 -16.868 12.625 1.357 1.00 72.23 C ATOM 1221 C TYR A 84 -15.521 13.337 1.447 1.00 40.13 C ATOM 1222 O TYR A 84 -14.849 13.289 2.477 1.00 1.24 O ATOM 1223 CB TYR A 84 -17.931 13.588 0.828 1.00 32.33 C ATOM 1224 CG TYR A 84 -19.330 13.012 0.835 1.00 44.35 C ATOM 1225 CD1 TYR A 84 -20.111 13.048 1.982 1.00 15.13 C ATOM 1226 CD2 TYR A 84 -19.867 12.430 -0.307 1.00 53.02 C ATOM 1227 CE1 TYR A 84 -21.388 12.521 1.992 1.00 52.15 C ATOM 1228 CE2 TYR A 84 -21.144 11.901 -0.306 1.00 24.50 C ATOM 1229 CZ TYR A 84 -21.900 11.949 0.847 1.00 12.35 C ATOM 1230 OH TYR A 84 -23.171 11.423 0.853 1.00 34.45 O ATOM 0 H TYR A 84 -17.834 12.734 3.215 1.00 24.20 H new ATOM 0 HA TYR A 84 -16.770 11.787 0.667 1.00 72.23 H new ATOM 0 HB2 TYR A 84 -17.918 14.496 1.431 1.00 32.33 H new ATOM 0 HB3 TYR A 84 -17.672 13.878 -0.190 1.00 32.33 H new ATOM 0 HD1 TYR A 84 -19.714 13.495 2.881 1.00 15.13 H new ATOM 0 HD2 TYR A 84 -19.277 12.390 -1.210 1.00 53.02 H new ATOM 0 HE1 TYR A 84 -21.983 12.557 2.893 1.00 52.15 H new ATOM 0 HE2 TYR A 84 -21.547 11.453 -1.202 1.00 24.50 H new ATOM 0 HH TYR A 84 -23.379 11.060 -0.033 1.00 34.45 H new ATOM 1239 N ALA A 85 -15.134 13.995 0.360 1.00 0.45 N ATOM 1240 CA ALA A 85 -13.870 14.719 0.314 1.00 61.43 C ATOM 1241 C ALA A 85 -13.807 15.785 1.404 1.00 14.02 C ATOM 1242 O ALA A 85 -14.719 15.902 2.223 1.00 52.33 O ATOM 1243 CB ALA A 85 -13.670 15.349 -1.055 1.00 22.54 C ATOM 0 H ALA A 85 -15.678 14.042 -0.501 1.00 0.45 H new ATOM 0 HA ALA A 85 -13.066 14.005 0.493 1.00 61.43 H new ATOM 0 HB1 ALA A 85 -12.722 15.886 -1.073 1.00 22.54 H new ATOM 0 HB2 ALA A 85 -13.660 14.569 -1.816 1.00 22.54 H new ATOM 0 HB3 ALA A 85 -14.485 16.044 -1.258 1.00 22.54 H new ATOM 1249 N ASP A 86 -12.728 16.558 1.407 1.00 73.30 N ATOM 1250 CA ASP A 86 -12.548 17.615 2.396 1.00 33.11 C ATOM 1251 C ASP A 86 -12.207 18.939 1.720 1.00 23.51 C ATOM 1252 O ASP A 86 -11.648 18.962 0.623 1.00 24.01 O ATOM 1253 CB ASP A 86 -11.446 17.234 3.386 1.00 73.30 C ATOM 1254 CG ASP A 86 -11.941 16.299 4.472 1.00 22.34 C ATOM 1255 OD1 ASP A 86 -12.625 16.779 5.401 1.00 23.34 O ATOM 1256 OD2 ASP A 86 -11.645 15.089 4.395 1.00 3.44 O ATOM 0 H ASP A 86 -11.964 16.473 0.736 1.00 73.30 H new ATOM 0 HA ASP A 86 -13.486 17.736 2.938 1.00 33.11 H new ATOM 0 HB2 ASP A 86 -10.626 16.759 2.847 1.00 73.30 H new ATOM 0 HB3 ASP A 86 -11.045 18.138 3.844 1.00 73.30 H new ATOM 1260 N LEU A 87 -12.546 20.040 2.381 1.00 31.51 N ATOM 1261 CA LEU A 87 -12.276 21.369 1.845 1.00 31.45 C ATOM 1262 C LEU A 87 -11.059 21.993 2.520 1.00 1.04 C ATOM 1263 O LEU A 87 -10.411 22.877 1.960 1.00 4.31 O ATOM 1264 CB LEU A 87 -13.496 22.274 2.030 1.00 73.22 C ATOM 1265 CG LEU A 87 -14.860 21.609 1.835 1.00 61.31 C ATOM 1266 CD1 LEU A 87 -15.354 21.009 3.142 1.00 24.32 C ATOM 1267 CD2 LEU A 87 -15.867 22.612 1.290 1.00 73.43 C ATOM 0 H LEU A 87 -13.009 20.039 3.290 1.00 31.51 H new ATOM 0 HA LEU A 87 -12.065 21.267 0.780 1.00 31.45 H new ATOM 0 HB2 LEU A 87 -13.461 22.697 3.034 1.00 73.22 H new ATOM 0 HB3 LEU A 87 -13.416 23.106 1.330 1.00 73.22 H new ATOM 0 HG LEU A 87 -14.751 20.803 1.110 1.00 61.31 H new ATOM 0 HD11 LEU A 87 -16.325 20.541 2.983 1.00 24.32 H new ATOM 0 HD12 LEU A 87 -14.643 20.260 3.490 1.00 24.32 H new ATOM 0 HD13 LEU A 87 -15.449 21.796 3.891 1.00 24.32 H new ATOM 0 HD21 LEU A 87 -16.832 22.123 1.157 1.00 73.43 H new ATOM 0 HD22 LEU A 87 -15.973 23.439 1.992 1.00 73.43 H new ATOM 0 HD23 LEU A 87 -15.518 22.993 0.330 1.00 73.43 H new ATOM 1278 N ARG A 88 -10.753 21.525 3.725 1.00 73.33 N ATOM 1279 CA ARG A 88 -9.613 22.036 4.477 1.00 72.32 C ATOM 1280 C ARG A 88 -8.708 20.896 4.935 1.00 51.31 C ATOM 1281 O ARG A 88 -9.071 20.120 5.819 1.00 64.11 O ATOM 1282 CB ARG A 88 -10.092 22.839 5.688 1.00 74.31 C ATOM 1283 CG ARG A 88 -9.136 23.945 6.102 1.00 62.31 C ATOM 1284 CD ARG A 88 -7.861 23.382 6.711 1.00 54.43 C ATOM 1285 NE ARG A 88 -7.053 24.419 7.347 1.00 75.02 N ATOM 1286 CZ ARG A 88 -7.403 25.036 8.471 1.00 44.31 C ATOM 1287 NH1 ARG A 88 -8.538 24.723 9.078 1.00 52.42 N ATOM 1288 NH2 ARG A 88 -6.613 25.969 8.988 1.00 33.54 N ATOM 0 H ARG A 88 -11.279 20.792 4.202 1.00 73.33 H new ATOM 0 HA ARG A 88 -9.040 22.690 3.819 1.00 72.32 H new ATOM 0 HB2 ARG A 88 -11.064 23.277 5.462 1.00 74.31 H new ATOM 0 HB3 ARG A 88 -10.236 22.161 6.529 1.00 74.31 H new ATOM 0 HG2 ARG A 88 -8.887 24.556 5.234 1.00 62.31 H new ATOM 0 HG3 ARG A 88 -9.626 24.600 6.822 1.00 62.31 H new ATOM 0 HD2 ARG A 88 -8.117 22.620 7.447 1.00 54.43 H new ATOM 0 HD3 ARG A 88 -7.275 22.891 5.934 1.00 54.43 H new ATOM 0 HE ARG A 88 -6.173 24.684 6.905 1.00 75.02 H new ATOM 0 HH11 ARG A 88 -9.147 24.006 8.683 1.00 52.42 H new ATOM 0 HH12 ARG A 88 -8.803 25.199 9.940 1.00 52.42 H new ATOM 0 HH21 ARG A 88 -5.738 26.212 8.523 1.00 33.54 H new ATOM 0 HH22 ARG A 88 -6.881 26.443 9.851 1.00 33.54 H new ATOM 1299 N GLU A 89 -7.531 20.800 4.325 1.00 64.44 N ATOM 1300 CA GLU A 89 -6.576 19.754 4.670 1.00 62.14 C ATOM 1301 C GLU A 89 -5.249 19.970 3.947 1.00 40.44 C ATOM 1302 O GLU A 89 -5.216 20.474 2.825 1.00 42.45 O ATOM 1303 CB GLU A 89 -7.144 18.377 4.317 1.00 63.40 C ATOM 1304 CG GLU A 89 -6.811 17.303 5.337 1.00 55.44 C ATOM 1305 CD GLU A 89 -7.923 16.283 5.495 1.00 21.23 C ATOM 1306 OE1 GLU A 89 -8.837 16.265 4.644 1.00 5.21 O ATOM 1307 OE2 GLU A 89 -7.880 15.504 6.469 1.00 73.25 O ATOM 0 H GLU A 89 -7.216 21.433 3.590 1.00 64.44 H new ATOM 0 HA GLU A 89 -6.397 19.800 5.744 1.00 62.14 H new ATOM 0 HB2 GLU A 89 -8.227 18.453 4.222 1.00 63.40 H new ATOM 0 HB3 GLU A 89 -6.760 18.073 3.343 1.00 63.40 H new ATOM 0 HG2 GLU A 89 -5.896 16.793 5.037 1.00 55.44 H new ATOM 0 HG3 GLU A 89 -6.613 17.772 6.301 1.00 55.44 H new ATOM 1312 N ASP A 90 -4.158 19.584 4.600 1.00 2.52 N ATOM 1313 CA ASP A 90 -2.828 19.733 4.020 1.00 51.11 C ATOM 1314 C ASP A 90 -1.764 19.143 4.941 1.00 75.30 C ATOM 1315 O ASP A 90 -1.026 19.860 5.617 1.00 60.31 O ATOM 1316 CB ASP A 90 -2.528 21.209 3.754 1.00 43.15 C ATOM 1317 CG ASP A 90 -2.807 22.083 4.960 1.00 23.44 C ATOM 1318 OD1 ASP A 90 -3.965 22.524 5.119 1.00 22.33 O ATOM 1319 OD2 ASP A 90 -1.868 22.327 5.747 1.00 3.52 O ATOM 0 H ASP A 90 -4.168 19.166 5.530 1.00 2.52 H new ATOM 0 HA ASP A 90 -2.807 19.189 3.076 1.00 51.11 H new ATOM 0 HB2 ASP A 90 -1.483 21.318 3.464 1.00 43.15 H new ATOM 0 HB3 ASP A 90 -3.130 21.553 2.913 1.00 43.15 H new ATOM 1323 N PRO A 91 -1.683 17.805 4.970 1.00 70.33 N ATOM 1324 CA PRO A 91 -0.714 17.088 5.805 1.00 70.34 C ATOM 1325 C PRO A 91 0.718 17.262 5.309 1.00 35.10 C ATOM 1326 O PRO A 91 1.674 16.977 6.031 1.00 71.42 O ATOM 1327 CB PRO A 91 -1.149 15.626 5.679 1.00 4.31 C ATOM 1328 CG PRO A 91 -1.859 15.554 4.372 1.00 13.31 C ATOM 1329 CD PRO A 91 -2.531 16.887 4.190 1.00 63.31 C ATOM 0 HA PRO A 91 -0.707 17.458 6.830 1.00 70.34 H new ATOM 0 HB2 PRO A 91 -0.291 14.954 5.701 1.00 4.31 H new ATOM 0 HB3 PRO A 91 -1.803 15.335 6.501 1.00 4.31 H new ATOM 0 HG2 PRO A 91 -1.160 15.355 3.559 1.00 13.31 H new ATOM 0 HG3 PRO A 91 -2.590 14.745 4.369 1.00 13.31 H new ATOM 0 HD2 PRO A 91 -2.575 17.175 3.140 1.00 63.31 H new ATOM 0 HD3 PRO A 91 -3.556 16.874 4.560 1.00 63.31 H new ATOM 1334 N ASP A 92 0.859 17.732 4.075 1.00 53.02 N ATOM 1335 CA ASP A 92 2.175 17.945 3.484 1.00 15.15 C ATOM 1336 C ASP A 92 2.083 18.871 2.275 1.00 40.51 C ATOM 1337 O ASP A 92 1.141 18.788 1.487 1.00 42.35 O ATOM 1338 CB ASP A 92 2.795 16.609 3.073 1.00 65.25 C ATOM 1339 CG ASP A 92 2.293 16.126 1.726 1.00 74.43 C ATOM 1340 OD1 ASP A 92 1.063 16.152 1.508 1.00 14.21 O ATOM 1341 OD2 ASP A 92 3.128 15.723 0.891 1.00 10.01 O ATOM 0 H ASP A 92 0.078 17.973 3.464 1.00 53.02 H new ATOM 0 HA ASP A 92 2.811 18.416 4.233 1.00 15.15 H new ATOM 0 HB2 ASP A 92 3.880 16.711 3.038 1.00 65.25 H new ATOM 0 HB3 ASP A 92 2.570 15.859 3.831 1.00 65.25 H new ATOM 1345 N ARG A 93 3.068 19.752 2.135 1.00 64.34 N ATOM 1346 CA ARG A 93 3.098 20.695 1.023 1.00 71.44 C ATOM 1347 C ARG A 93 4.254 20.385 0.077 1.00 62.12 C ATOM 1348 O ARG A 93 5.100 19.542 0.373 1.00 51.15 O ATOM 1349 CB ARG A 93 3.222 22.127 1.545 1.00 22.23 C ATOM 1350 CG ARG A 93 4.172 22.266 2.724 1.00 42.10 C ATOM 1351 CD ARG A 93 5.606 21.957 2.324 1.00 24.11 C ATOM 1352 NE ARG A 93 6.558 22.334 3.365 1.00 62.22 N ATOM 1353 CZ ARG A 93 6.952 23.584 3.583 1.00 40.41 C ATOM 1354 NH1 ARG A 93 6.479 24.571 2.837 1.00 20.44 N ATOM 1355 NH2 ARG A 93 7.822 23.847 4.550 1.00 30.24 N ATOM 0 H ARG A 93 3.856 19.833 2.778 1.00 64.34 H new ATOM 0 HA ARG A 93 2.164 20.596 0.471 1.00 71.44 H new ATOM 0 HB2 ARG A 93 3.565 22.771 0.735 1.00 22.23 H new ATOM 0 HB3 ARG A 93 2.235 22.484 1.840 1.00 22.23 H new ATOM 0 HG2 ARG A 93 4.114 23.279 3.121 1.00 42.10 H new ATOM 0 HG3 ARG A 93 3.863 21.592 3.523 1.00 42.10 H new ATOM 0 HD2 ARG A 93 5.702 20.892 2.114 1.00 24.11 H new ATOM 0 HD3 ARG A 93 5.848 22.487 1.403 1.00 24.11 H new ATOM 0 HE ARG A 93 6.942 21.597 3.957 1.00 62.22 H new ATOM 0 HH11 ARG A 93 5.810 24.372 2.093 1.00 20.44 H new ATOM 0 HH12 ARG A 93 6.783 25.530 3.007 1.00 20.44 H new ATOM 0 HH21 ARG A 93 8.189 23.089 5.126 1.00 30.24 H new ATOM 0 HH22 ARG A 93 8.124 24.807 4.717 1.00 30.24 H new ATOM 1366 N GLN A 94 4.282 21.071 -1.059 1.00 3.44 N ATOM 1367 CA GLN A 94 5.334 20.867 -2.050 1.00 72.51 C ATOM 1368 C GLN A 94 6.694 21.270 -1.489 1.00 11.14 C ATOM 1369 O GLN A 94 6.787 22.153 -0.635 1.00 3.24 O ATOM 1370 CB GLN A 94 5.033 21.669 -3.317 1.00 51.33 C ATOM 1371 CG GLN A 94 3.589 21.557 -3.780 1.00 41.01 C ATOM 1372 CD GLN A 94 3.362 22.189 -5.139 1.00 53.30 C ATOM 1373 OE1 GLN A 94 2.468 23.018 -5.309 1.00 52.02 O ATOM 1374 NE2 GLN A 94 4.171 21.798 -6.117 1.00 20.43 N ATOM 0 H GLN A 94 3.589 21.773 -1.318 1.00 3.44 H new ATOM 0 HA GLN A 94 5.364 19.806 -2.299 1.00 72.51 H new ATOM 0 HB2 GLN A 94 5.268 22.718 -3.137 1.00 51.33 H new ATOM 0 HB3 GLN A 94 5.690 21.328 -4.117 1.00 51.33 H new ATOM 0 HG2 GLN A 94 3.305 20.505 -3.820 1.00 41.01 H new ATOM 0 HG3 GLN A 94 2.938 22.035 -3.048 1.00 41.01 H new ATOM 0 HE21 GLN A 94 4.899 21.108 -5.932 1.00 20.43 H new ATOM 0 HE22 GLN A 94 4.064 22.188 -7.054 1.00 20.43 H new ATOM 1381 N ASP A 95 7.745 20.619 -1.974 1.00 11.22 N ATOM 1382 CA ASP A 95 9.100 20.910 -1.522 1.00 30.22 C ATOM 1383 C ASP A 95 10.125 20.135 -2.345 1.00 74.23 C ATOM 1384 O ASP A 95 10.501 19.016 -1.991 1.00 4.31 O ATOM 1385 CB ASP A 95 9.252 20.566 -0.040 1.00 53.02 C ATOM 1386 CG ASP A 95 10.672 20.754 0.455 1.00 74.44 C ATOM 1387 OD1 ASP A 95 11.316 21.742 0.048 1.00 20.40 O ATOM 1388 OD2 ASP A 95 11.139 19.911 1.251 1.00 23.41 O ATOM 0 H ASP A 95 7.685 19.886 -2.681 1.00 11.22 H new ATOM 0 HA ASP A 95 9.281 21.976 -1.659 1.00 30.22 H new ATOM 0 HB2 ASP A 95 8.580 21.193 0.546 1.00 53.02 H new ATOM 0 HB3 ASP A 95 8.947 19.532 0.123 1.00 53.02 H new ATOM 1392 N HIS A 96 10.573 20.735 -3.442 1.00 12.42 N ATOM 1393 CA HIS A 96 11.554 20.101 -4.315 1.00 51.14 C ATOM 1394 C HIS A 96 12.377 21.148 -5.058 1.00 43.52 C ATOM 1395 O HIS A 96 12.176 22.350 -4.883 1.00 23.34 O ATOM 1396 CB HIS A 96 10.857 19.179 -5.316 1.00 51.34 C ATOM 1397 CG HIS A 96 9.711 19.826 -6.029 1.00 33.15 C ATOM 1398 ND1 HIS A 96 9.853 20.949 -6.818 1.00 50.04 N ATOM 1399 CD2 HIS A 96 8.397 19.503 -6.071 1.00 4.32 C ATOM 1400 CE1 HIS A 96 8.676 21.288 -7.312 1.00 5.43 C ATOM 1401 NE2 HIS A 96 7.776 20.426 -6.876 1.00 74.41 N ATOM 0 H HIS A 96 10.272 21.660 -3.748 1.00 12.42 H new ATOM 0 HA HIS A 96 12.227 19.509 -3.694 1.00 51.14 H new ATOM 0 HB2 HIS A 96 11.586 18.838 -6.051 1.00 51.34 H new ATOM 0 HB3 HIS A 96 10.495 18.295 -4.792 1.00 51.34 H new ATOM 0 HD2 HIS A 96 7.925 18.674 -5.565 1.00 4.32 H new ATOM 0 HE1 HIS A 96 8.482 22.128 -7.962 1.00 5.43 H new ATOM 0 HE2 HIS A 96 6.781 20.443 -7.101 1.00 74.41 H new ATOM 1408 N HIS A 97 13.308 20.684 -5.887 1.00 33.02 N ATOM 1409 CA HIS A 97 14.162 21.581 -6.657 1.00 13.10 C ATOM 1410 C HIS A 97 14.777 20.854 -7.849 1.00 5.02 C ATOM 1411 O HIS A 97 15.965 20.532 -7.865 1.00 23.32 O ATOM 1412 CB HIS A 97 15.266 22.154 -5.769 1.00 22.15 C ATOM 1413 CG HIS A 97 15.954 23.345 -6.362 1.00 52.32 C ATOM 1414 ND1 HIS A 97 15.450 24.625 -6.276 1.00 4.21 N ATOM 1415 CD2 HIS A 97 17.115 23.444 -7.051 1.00 2.33 C ATOM 1416 CE1 HIS A 97 16.270 25.461 -6.889 1.00 22.13 C ATOM 1417 NE2 HIS A 97 17.289 24.769 -7.368 1.00 33.34 N ATOM 0 H HIS A 97 13.490 19.692 -6.042 1.00 33.02 H new ATOM 0 HA HIS A 97 13.546 22.399 -7.031 1.00 13.10 H new ATOM 0 HB2 HIS A 97 14.838 22.434 -4.806 1.00 22.15 H new ATOM 0 HB3 HIS A 97 16.005 21.377 -5.575 1.00 22.15 H new ATOM 0 HD2 HIS A 97 17.781 22.632 -7.304 1.00 2.33 H new ATOM 0 HE1 HIS A 97 16.131 26.528 -6.983 1.00 22.13 H new ATOM 0 HE2 HIS A 97 18.076 25.156 -7.888 1.00 33.34 H new ATOM 1424 N PRO A 98 13.951 20.589 -8.873 1.00 75.13 N ATOM 1425 CA PRO A 98 14.392 19.897 -10.088 1.00 70.52 C ATOM 1426 C PRO A 98 15.325 20.755 -10.935 1.00 44.42 C ATOM 1427 O PRO A 98 15.764 21.822 -10.509 1.00 55.11 O ATOM 1428 CB PRO A 98 13.085 19.628 -10.836 1.00 10.40 C ATOM 1429 CG PRO A 98 12.148 20.680 -10.354 1.00 73.41 C ATOM 1430 CD PRO A 98 12.522 20.944 -8.921 1.00 44.34 C ATOM 0 HA PRO A 98 14.962 18.996 -9.862 1.00 70.52 H new ATOM 0 HB2 PRO A 98 13.227 19.689 -11.915 1.00 10.40 H new ATOM 0 HB3 PRO A 98 12.704 18.630 -10.620 1.00 10.40 H new ATOM 0 HG2 PRO A 98 12.237 21.586 -10.954 1.00 73.41 H new ATOM 0 HG3 PRO A 98 11.113 20.346 -10.432 1.00 73.41 H new ATOM 0 HD2 PRO A 98 12.357 21.986 -8.648 1.00 44.34 H new ATOM 0 HD3 PRO A 98 11.933 20.337 -8.233 1.00 44.34 H new ATOM 1435 N GLY A 99 15.625 20.281 -12.141 1.00 53.33 N ATOM 1436 CA GLY A 99 16.505 21.016 -13.030 1.00 20.12 C ATOM 1437 C GLY A 99 15.749 21.720 -14.142 1.00 72.54 C ATOM 1438 O GLY A 99 14.540 21.929 -14.043 1.00 3.41 O ATOM 0 H GLY A 99 15.274 19.401 -12.518 1.00 53.33 H new ATOM 0 HA2 GLY A 99 17.067 21.752 -12.454 1.00 20.12 H new ATOM 0 HA3 GLY A 99 17.232 20.330 -13.466 1.00 20.12 H new ATOM 1442 N SER A 100 16.464 22.087 -15.200 1.00 12.21 N ATOM 1443 CA SER A 100 15.855 22.776 -16.331 1.00 24.03 C ATOM 1444 C SER A 100 16.250 22.113 -17.648 1.00 21.55 C ATOM 1445 O SER A 100 17.093 22.625 -18.385 1.00 14.21 O ATOM 1446 CB SER A 100 16.271 24.249 -16.343 1.00 51.44 C ATOM 1447 OG SER A 100 15.658 24.960 -15.283 1.00 35.23 O ATOM 0 H SER A 100 17.465 21.919 -15.298 1.00 12.21 H new ATOM 0 HA SER A 100 14.772 22.713 -16.223 1.00 24.03 H new ATOM 0 HB2 SER A 100 17.355 24.325 -16.257 1.00 51.44 H new ATOM 0 HB3 SER A 100 15.995 24.701 -17.296 1.00 51.44 H new ATOM 0 HG SER A 100 15.941 25.898 -15.311 1.00 35.23 H new ATOM 1452 N GLY A 101 15.634 20.971 -17.936 1.00 44.30 N ATOM 1453 CA GLY A 101 15.935 20.255 -19.163 1.00 32.44 C ATOM 1454 C GLY A 101 17.419 20.015 -19.345 1.00 42.55 C ATOM 1455 O GLY A 101 18.145 19.804 -18.374 1.00 71.11 O ATOM 0 H GLY A 101 14.932 20.529 -17.342 1.00 44.30 H new ATOM 0 HA2 GLY A 101 15.413 19.298 -19.159 1.00 32.44 H new ATOM 0 HA3 GLY A 101 15.555 20.822 -20.013 1.00 32.44 H new ATOM 1459 N ALA A 102 17.873 20.044 -20.594 1.00 70.12 N ATOM 1460 CA ALA A 102 19.282 19.827 -20.900 1.00 31.15 C ATOM 1461 C ALA A 102 19.847 20.976 -21.729 1.00 13.10 C ATOM 1462 O ALA A 102 20.714 21.718 -21.268 1.00 54.01 O ATOM 1463 CB ALA A 102 19.465 18.506 -21.632 1.00 43.34 C ATOM 0 H ALA A 102 17.286 20.216 -21.410 1.00 70.12 H new ATOM 0 HA ALA A 102 19.831 19.788 -19.959 1.00 31.15 H new ATOM 0 HB1 ALA A 102 20.522 18.357 -21.854 1.00 43.34 H new ATOM 0 HB2 ALA A 102 19.107 17.690 -21.004 1.00 43.34 H new ATOM 0 HB3 ALA A 102 18.897 18.524 -22.562 1.00 43.34 H new ATOM 1469 N GLN A 103 19.350 21.116 -22.954 1.00 72.52 N ATOM 1470 CA GLN A 103 19.806 22.175 -23.847 1.00 65.25 C ATOM 1471 C GLN A 103 18.791 23.311 -23.908 1.00 4.11 C ATOM 1472 O GLN A 103 19.082 24.390 -24.425 1.00 65.22 O ATOM 1473 CB GLN A 103 20.051 21.617 -25.249 1.00 4.43 C ATOM 1474 CG GLN A 103 18.788 21.123 -25.936 1.00 41.51 C ATOM 1475 CD GLN A 103 19.077 20.399 -27.237 1.00 42.14 C ATOM 1476 OE1 GLN A 103 19.989 20.767 -27.977 1.00 23.10 O ATOM 1477 NE2 GLN A 103 18.299 19.362 -27.523 1.00 72.03 N ATOM 0 H GLN A 103 18.632 20.510 -23.351 1.00 72.52 H new ATOM 0 HA GLN A 103 20.742 22.571 -23.453 1.00 65.25 H new ATOM 0 HB2 GLN A 103 20.510 22.391 -25.864 1.00 4.43 H new ATOM 0 HB3 GLN A 103 20.765 20.796 -25.185 1.00 4.43 H new ATOM 0 HG2 GLN A 103 18.251 20.454 -25.264 1.00 41.51 H new ATOM 0 HG3 GLN A 103 18.131 21.970 -26.134 1.00 41.51 H new ATOM 0 HE21 GLN A 103 17.554 19.091 -26.881 1.00 72.03 H new ATOM 0 HE22 GLN A 103 18.446 18.836 -28.385 1.00 72.03 H new TER 1484 GLN A 103