USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 872 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 11 GLN : amide:sc= 0.275 K(o=1.2,f=-2.1) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -172:sc= 0.972 (180deg=-0.0246) USER MOD Set 2.1: A 101 SER OG : rot 180:sc= 0.767 USER MOD Set 2.2: A 103 LYS NZ :NH3+ -172:sc= 0.873 (180deg=0) USER MOD Set 3.1: A 78 GLN : amide:sc= 0.967 K(o=2.2,f=1.1) USER MOD Set 3.2: A 95 SER OG : rot -163:sc= 1.23 USER MOD Set 4.1: A 42 TYR OH : rot 180:sc= 0.315 USER MOD Set 4.2: A 49 ASN : amide:sc= 0.793 K(o=1.1,f=0.14) USER MOD Set 5.1: A 29 THR OG1 : rot -17:sc= 1.89 USER MOD Set 5.2: A 43 THR OG1 : rot -69:sc= 1.05 USER MOD Single : A 1 GLY N :NH3+ -152:sc= 0.067 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= 0.879 (180deg=0.767) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.6) USER MOD Single : A 30 CYS SG : rot 48:sc= -0.115 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.234 K(o=0.23,f=-6.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 87:sc= 1.2 USER MOD Single : A 39 TYR OH : rot -1:sc= 1.13 USER MOD Single : A 45 SER OG : rot 140:sc= 0.426 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -176:sc= 1.22 USER MOD Single : A 60 SER OG : rot -170:sc= -0.051 USER MOD Single : A 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0809) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.211 K(o=-0.21,f=-1.4) USER MOD Single : A 75 CYS SG : rot 34:sc= -1.23 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -4:sc= 1.27 USER MOD Single : A 80 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-1.5) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.375 USER MOD Single : A 86 SER OG : rot 150:sc= 0.0673 USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0278 (180deg=-0.315) USER MOD Single : A 89 MET CE :methyl 177:sc= -0.631 (180deg=-0.649) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.22) USER MOD Single : A 93 ASN :FLIP amide:sc= -0.473 F(o=-2.9!,f=-0.47) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0.397 K(o=0.4,f=-5.9!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.704 -7.467 -10.891 1.00 21.22 N ATOM 2 CA GLY A 1 17.757 -6.741 -10.032 1.00 62.22 C ATOM 3 C GLY A 1 18.529 -6.085 -8.910 1.00 65.13 C ATOM 4 O GLY A 1 19.636 -5.607 -9.153 1.00 65.44 O ATOM 0 H1 GLY A 1 18.328 -7.514 -11.860 1.00 21.22 H new ATOM 0 H2 GLY A 1 19.618 -6.970 -10.898 1.00 21.22 H new ATOM 0 H3 GLY A 1 18.837 -8.431 -10.524 1.00 21.22 H new ATOM 0 HA2 GLY A 1 17.220 -5.990 -10.611 1.00 62.22 H new ATOM 0 HA3 GLY A 1 17.011 -7.426 -9.628 1.00 62.22 H new ATOM 8 N ASP A 2 17.975 -6.033 -7.700 1.00 5.12 N ATOM 9 CA ASP A 2 18.716 -5.631 -6.505 1.00 41.43 C ATOM 10 C ASP A 2 17.896 -6.100 -5.304 1.00 74.54 C ATOM 11 O ASP A 2 16.770 -5.633 -5.101 1.00 23.51 O ATOM 12 CB ASP A 2 18.953 -4.107 -6.477 1.00 14.41 C ATOM 13 CG ASP A 2 20.247 -3.713 -5.768 1.00 5.44 C ATOM 14 OD1 ASP A 2 20.872 -4.540 -5.072 1.00 5.22 O ATOM 15 OD2 ASP A 2 20.635 -2.527 -5.858 1.00 33.11 O ATOM 0 H ASP A 2 16.999 -6.268 -7.520 1.00 5.12 H new ATOM 0 HA ASP A 2 19.707 -6.084 -6.491 1.00 41.43 H new ATOM 0 HB2 ASP A 2 18.977 -3.731 -7.500 1.00 14.41 H new ATOM 0 HB3 ASP A 2 18.112 -3.624 -5.980 1.00 14.41 H new ATOM 20 N GLU A 3 18.364 -7.114 -4.582 1.00 33.44 N ATOM 21 CA GLU A 3 17.567 -7.875 -3.627 1.00 52.43 C ATOM 22 C GLU A 3 18.377 -8.079 -2.349 1.00 12.23 C ATOM 23 O GLU A 3 18.762 -9.201 -2.008 1.00 12.33 O ATOM 24 CB GLU A 3 17.146 -9.222 -4.228 1.00 42.54 C ATOM 25 CG GLU A 3 16.203 -9.145 -5.432 1.00 22.22 C ATOM 26 CD GLU A 3 15.732 -10.534 -5.883 1.00 31.11 C ATOM 27 OE1 GLU A 3 15.751 -11.497 -5.084 1.00 33.35 O ATOM 28 OE2 GLU A 3 15.343 -10.664 -7.069 1.00 2.22 O ATOM 0 H GLU A 3 19.330 -7.436 -4.647 1.00 33.44 H new ATOM 0 HA GLU A 3 16.659 -7.321 -3.390 1.00 52.43 H new ATOM 0 HB2 GLU A 3 18.044 -9.762 -4.527 1.00 42.54 H new ATOM 0 HB3 GLU A 3 16.664 -9.812 -3.449 1.00 42.54 H new ATOM 0 HG2 GLU A 3 15.337 -8.534 -5.176 1.00 22.22 H new ATOM 0 HG3 GLU A 3 16.711 -8.648 -6.259 1.00 22.22 H new ATOM 35 N ASP A 4 18.619 -6.998 -1.614 1.00 72.12 N ATOM 36 CA ASP A 4 19.437 -7.007 -0.406 1.00 10.55 C ATOM 37 C ASP A 4 18.767 -6.158 0.665 1.00 23.21 C ATOM 38 O ASP A 4 19.367 -5.293 1.296 1.00 1.35 O ATOM 39 CB ASP A 4 20.879 -6.594 -0.701 1.00 51.41 C ATOM 40 CG ASP A 4 21.772 -6.716 0.538 1.00 11.31 C ATOM 41 OD1 ASP A 4 21.475 -7.518 1.454 1.00 23.24 O ATOM 42 OD2 ASP A 4 22.827 -6.040 0.560 1.00 62.32 O ATOM 0 H ASP A 4 18.246 -6.077 -1.845 1.00 72.12 H new ATOM 0 HA ASP A 4 19.507 -8.024 -0.019 1.00 10.55 H new ATOM 0 HB2 ASP A 4 21.279 -7.218 -1.500 1.00 51.41 H new ATOM 0 HB3 ASP A 4 20.896 -5.565 -1.061 1.00 51.41 H new ATOM 47 N ASP A 5 17.475 -6.428 0.852 1.00 74.41 N ATOM 48 CA ASP A 5 16.706 -5.956 2.006 1.00 12.11 C ATOM 49 C ASP A 5 16.547 -4.427 1.976 1.00 12.33 C ATOM 50 O ASP A 5 16.412 -3.759 3.004 1.00 43.22 O ATOM 51 CB ASP A 5 17.343 -6.504 3.307 1.00 62.42 C ATOM 52 CG ASP A 5 16.355 -7.216 4.225 1.00 1.22 C ATOM 53 OD1 ASP A 5 15.505 -7.981 3.702 1.00 14.52 O ATOM 54 OD2 ASP A 5 16.512 -7.098 5.458 1.00 24.21 O ATOM 0 H ASP A 5 16.926 -6.987 0.199 1.00 74.41 H new ATOM 0 HA ASP A 5 15.689 -6.345 1.966 1.00 12.11 H new ATOM 0 HB2 ASP A 5 18.144 -7.195 3.045 1.00 62.42 H new ATOM 0 HB3 ASP A 5 17.800 -5.678 3.852 1.00 62.42 H new ATOM 59 N LYS A 6 16.572 -3.845 0.776 1.00 10.31 N ATOM 60 CA LYS A 6 16.758 -2.428 0.498 1.00 54.41 C ATOM 61 C LYS A 6 15.590 -1.919 -0.331 1.00 61.43 C ATOM 62 O LYS A 6 15.039 -2.664 -1.146 1.00 50.14 O ATOM 63 CB LYS A 6 18.088 -2.230 -0.246 1.00 65.14 C ATOM 64 CG LYS A 6 18.226 -3.167 -1.464 1.00 11.25 C ATOM 65 CD LYS A 6 19.316 -2.731 -2.427 1.00 71.04 C ATOM 66 CE LYS A 6 18.762 -1.905 -3.597 1.00 54.52 C ATOM 67 NZ LYS A 6 18.150 -0.607 -3.260 1.00 30.24 N ATOM 0 H LYS A 6 16.455 -4.389 -0.079 1.00 10.31 H new ATOM 0 HA LYS A 6 16.792 -1.862 1.429 1.00 54.41 H new ATOM 0 HB2 LYS A 6 18.165 -1.194 -0.577 1.00 65.14 H new ATOM 0 HB3 LYS A 6 18.915 -2.407 0.441 1.00 65.14 H new ATOM 0 HG2 LYS A 6 18.439 -4.178 -1.116 1.00 11.25 H new ATOM 0 HG3 LYS A 6 17.275 -3.207 -1.995 1.00 11.25 H new ATOM 0 HD2 LYS A 6 20.059 -2.142 -1.889 1.00 71.04 H new ATOM 0 HD3 LYS A 6 19.828 -3.611 -2.816 1.00 71.04 H new ATOM 0 HE2 LYS A 6 19.574 -1.726 -4.301 1.00 54.52 H new ATOM 0 HE3 LYS A 6 18.017 -2.508 -4.116 1.00 54.52 H new ATOM 0 HZ1 LYS A 6 17.710 -0.200 -4.110 1.00 30.24 H new ATOM 0 HZ2 LYS A 6 17.425 -0.745 -2.527 1.00 30.24 H new ATOM 0 HZ3 LYS A 6 18.882 0.041 -2.905 1.00 30.24 H new ATOM 81 N VAL A 7 15.233 -0.657 -0.124 1.00 24.04 N ATOM 82 CA VAL A 7 14.089 -0.036 -0.771 1.00 22.43 C ATOM 83 C VAL A 7 14.423 0.061 -2.255 1.00 1.41 C ATOM 84 O VAL A 7 15.532 0.471 -2.615 1.00 11.43 O ATOM 85 CB VAL A 7 13.699 1.278 -0.063 1.00 43.14 C ATOM 86 CG1 VAL A 7 14.818 2.308 0.103 1.00 70.30 C ATOM 87 CG2 VAL A 7 12.490 1.944 -0.737 1.00 64.21 C ATOM 0 H VAL A 7 15.737 -0.031 0.505 1.00 24.04 H new ATOM 0 HA VAL A 7 13.177 -0.627 -0.687 1.00 22.43 H new ATOM 0 HB VAL A 7 13.447 0.952 0.946 1.00 43.14 H new ATOM 0 HG11 VAL A 7 14.429 3.189 0.613 1.00 70.30 H new ATOM 0 HG12 VAL A 7 15.626 1.875 0.693 1.00 70.30 H new ATOM 0 HG13 VAL A 7 15.197 2.594 -0.878 1.00 70.30 H new ATOM 0 HG21 VAL A 7 12.243 2.867 -0.212 1.00 64.21 H new ATOM 0 HG22 VAL A 7 12.732 2.171 -1.775 1.00 64.21 H new ATOM 0 HG23 VAL A 7 11.636 1.268 -0.703 1.00 64.21 H new ATOM 97 N GLU A 8 13.503 -0.388 -3.104 1.00 72.33 N ATOM 98 CA GLU A 8 13.685 -0.429 -4.550 1.00 62.24 C ATOM 99 C GLU A 8 12.475 0.177 -5.259 1.00 32.43 C ATOM 100 O GLU A 8 11.329 -0.163 -4.952 1.00 31.43 O ATOM 101 CB GLU A 8 13.902 -1.883 -4.991 1.00 3.15 C ATOM 102 CG GLU A 8 15.371 -2.302 -4.917 1.00 44.21 C ATOM 103 CD GLU A 8 16.188 -1.675 -6.049 1.00 53.03 C ATOM 104 OE1 GLU A 8 16.027 -2.129 -7.205 1.00 24.25 O ATOM 105 OE2 GLU A 8 16.963 -0.727 -5.771 1.00 73.21 O ATOM 0 H GLU A 8 12.595 -0.739 -2.800 1.00 72.33 H new ATOM 0 HA GLU A 8 14.560 0.161 -4.821 1.00 62.24 H new ATOM 0 HB2 GLU A 8 13.306 -2.544 -4.361 1.00 3.15 H new ATOM 0 HB3 GLU A 8 13.543 -2.007 -6.012 1.00 3.15 H new ATOM 0 HG2 GLU A 8 15.788 -2.002 -3.956 1.00 44.21 H new ATOM 0 HG3 GLU A 8 15.444 -3.388 -4.972 1.00 44.21 H new ATOM 112 N ILE A 9 12.743 1.048 -6.233 1.00 33.21 N ATOM 113 CA ILE A 9 11.772 1.631 -7.150 1.00 31.31 C ATOM 114 C ILE A 9 10.989 0.528 -7.880 1.00 14.45 C ATOM 115 O ILE A 9 9.768 0.477 -7.703 1.00 51.33 O ATOM 116 CB ILE A 9 12.468 2.641 -8.101 1.00 1.43 C ATOM 117 CG1 ILE A 9 12.966 3.899 -7.354 1.00 32.31 C ATOM 118 CG2 ILE A 9 11.578 3.049 -9.288 1.00 41.10 C ATOM 119 CD1 ILE A 9 11.870 4.836 -6.829 1.00 72.42 C ATOM 0 H ILE A 9 13.691 1.380 -6.409 1.00 33.21 H new ATOM 0 HA ILE A 9 11.032 2.202 -6.589 1.00 31.31 H new ATOM 0 HB ILE A 9 13.335 2.114 -8.500 1.00 1.43 H new ATOM 0 HG12 ILE A 9 13.580 3.580 -6.512 1.00 32.31 H new ATOM 0 HG13 ILE A 9 13.613 4.465 -8.024 1.00 32.31 H new ATOM 0 HG21 ILE A 9 12.116 3.756 -9.920 1.00 41.10 H new ATOM 0 HG22 ILE A 9 11.321 2.165 -9.871 1.00 41.10 H new ATOM 0 HG23 ILE A 9 10.666 3.516 -8.915 1.00 41.10 H new ATOM 0 HD11 ILE A 9 12.329 5.685 -6.322 1.00 72.42 H new ATOM 0 HD12 ILE A 9 11.267 5.194 -7.663 1.00 72.42 H new ATOM 0 HD13 ILE A 9 11.234 4.295 -6.128 1.00 72.42 H new ATOM 131 N PRO A 10 11.610 -0.375 -8.667 1.00 63.10 N ATOM 132 CA PRO A 10 10.856 -1.352 -9.453 1.00 45.13 C ATOM 133 C PRO A 10 10.117 -2.353 -8.561 1.00 53.02 C ATOM 134 O PRO A 10 9.083 -2.907 -8.950 1.00 65.23 O ATOM 135 CB PRO A 10 11.897 -2.053 -10.331 1.00 2.22 C ATOM 136 CG PRO A 10 13.184 -1.926 -9.525 1.00 30.34 C ATOM 137 CD PRO A 10 13.040 -0.534 -8.921 1.00 72.33 C ATOM 0 HA PRO A 10 10.081 -0.869 -10.048 1.00 45.13 H new ATOM 0 HB2 PRO A 10 11.636 -3.096 -10.508 1.00 2.22 H new ATOM 0 HB3 PRO A 10 11.986 -1.576 -11.307 1.00 2.22 H new ATOM 0 HG2 PRO A 10 13.264 -2.697 -8.759 1.00 30.34 H new ATOM 0 HG3 PRO A 10 14.070 -2.009 -10.154 1.00 30.34 H new ATOM 0 HD2 PRO A 10 13.616 -0.442 -8.000 1.00 72.33 H new ATOM 0 HD3 PRO A 10 13.407 0.232 -9.604 1.00 72.33 H new ATOM 145 N GLN A 11 10.617 -2.583 -7.344 1.00 42.00 N ATOM 146 CA GLN A 11 9.989 -3.488 -6.400 1.00 13.32 C ATOM 147 C GLN A 11 8.690 -2.897 -5.845 1.00 54.43 C ATOM 148 O GLN A 11 7.894 -3.653 -5.304 1.00 61.50 O ATOM 149 CB GLN A 11 10.995 -3.874 -5.303 1.00 72.23 C ATOM 150 CG GLN A 11 10.709 -5.210 -4.595 1.00 24.42 C ATOM 151 CD GLN A 11 10.563 -6.377 -5.565 1.00 12.35 C ATOM 152 OE1 GLN A 11 9.490 -6.965 -5.710 1.00 25.24 O ATOM 153 NE2 GLN A 11 11.619 -6.724 -6.277 1.00 74.10 N ATOM 0 H GLN A 11 11.468 -2.144 -6.993 1.00 42.00 H new ATOM 0 HA GLN A 11 9.700 -4.405 -6.914 1.00 13.32 H new ATOM 0 HB2 GLN A 11 11.990 -3.921 -5.745 1.00 72.23 H new ATOM 0 HB3 GLN A 11 11.015 -3.081 -4.555 1.00 72.23 H new ATOM 0 HG2 GLN A 11 11.517 -5.425 -3.895 1.00 24.42 H new ATOM 0 HG3 GLN A 11 9.795 -5.116 -4.008 1.00 24.42 H new ATOM 0 HE21 GLN A 11 12.503 -6.232 -6.151 1.00 74.10 H new ATOM 0 HE22 GLN A 11 11.551 -7.484 -6.954 1.00 74.10 H new ATOM 162 N LEU A 12 8.402 -1.598 -6.016 1.00 31.25 N ATOM 163 CA LEU A 12 7.088 -1.041 -5.695 1.00 52.10 C ATOM 164 C LEU A 12 6.038 -1.507 -6.696 1.00 14.24 C ATOM 165 O LEU A 12 5.016 -2.045 -6.280 1.00 2.15 O ATOM 166 CB LEU A 12 7.147 0.495 -5.639 1.00 41.32 C ATOM 167 CG LEU A 12 5.813 1.243 -5.389 1.00 21.45 C ATOM 168 CD1 LEU A 12 5.204 1.859 -6.647 1.00 45.34 C ATOM 169 CD2 LEU A 12 4.840 0.518 -4.463 1.00 43.41 C ATOM 0 H LEU A 12 9.068 -0.914 -6.377 1.00 31.25 H new ATOM 0 HA LEU A 12 6.798 -1.407 -4.710 1.00 52.10 H new ATOM 0 HB2 LEU A 12 7.846 0.778 -4.853 1.00 41.32 H new ATOM 0 HB3 LEU A 12 7.564 0.852 -6.581 1.00 41.32 H new ATOM 0 HG LEU A 12 6.089 2.114 -4.795 1.00 21.45 H new ATOM 0 HD11 LEU A 12 4.273 2.365 -6.391 1.00 45.34 H new ATOM 0 HD12 LEU A 12 5.902 2.579 -7.074 1.00 45.34 H new ATOM 0 HD13 LEU A 12 5.002 1.074 -7.375 1.00 45.34 H new ATOM 0 HD21 LEU A 12 3.936 1.115 -4.346 1.00 43.41 H new ATOM 0 HD22 LEU A 12 4.583 -0.450 -4.892 1.00 43.41 H new ATOM 0 HD23 LEU A 12 5.306 0.371 -3.489 1.00 43.41 H new ATOM 181 N VAL A 13 6.280 -1.289 -7.987 1.00 22.55 N ATOM 182 CA VAL A 13 5.271 -1.195 -9.048 1.00 2.05 C ATOM 183 C VAL A 13 4.437 -2.480 -9.249 1.00 70.44 C ATOM 184 O VAL A 13 3.388 -2.438 -9.887 1.00 24.13 O ATOM 185 CB VAL A 13 6.007 -0.708 -10.322 1.00 41.40 C ATOM 186 CG1 VAL A 13 5.065 -0.502 -11.510 1.00 61.30 C ATOM 187 CG2 VAL A 13 6.727 0.634 -10.072 1.00 13.31 C ATOM 0 H VAL A 13 7.229 -1.167 -8.342 1.00 22.55 H new ATOM 0 HA VAL A 13 4.502 -0.477 -8.765 1.00 2.05 H new ATOM 0 HB VAL A 13 6.721 -1.497 -10.559 1.00 41.40 H new ATOM 0 HG11 VAL A 13 5.637 -0.161 -12.373 1.00 61.30 H new ATOM 0 HG12 VAL A 13 4.572 -1.444 -11.751 1.00 61.30 H new ATOM 0 HG13 VAL A 13 4.314 0.246 -11.254 1.00 61.30 H new ATOM 0 HG21 VAL A 13 7.234 0.950 -10.984 1.00 13.31 H new ATOM 0 HG22 VAL A 13 5.997 1.390 -9.782 1.00 13.31 H new ATOM 0 HG23 VAL A 13 7.459 0.511 -9.274 1.00 13.31 H new ATOM 197 N GLY A 14 4.858 -3.613 -8.696 1.00 5.03 N ATOM 198 CA GLY A 14 4.076 -4.833 -8.544 1.00 53.34 C ATOM 199 C GLY A 14 2.906 -4.745 -7.559 1.00 1.43 C ATOM 200 O GLY A 14 2.491 -3.684 -7.075 1.00 65.34 O ATOM 0 H GLY A 14 5.802 -3.709 -8.323 1.00 5.03 H new ATOM 0 HA2 GLY A 14 3.686 -5.118 -9.521 1.00 53.34 H new ATOM 0 HA3 GLY A 14 4.742 -5.633 -8.221 1.00 53.34 H new ATOM 204 N LYS A 15 2.349 -5.924 -7.287 1.00 12.13 N ATOM 205 CA LYS A 15 1.142 -6.143 -6.500 1.00 34.34 C ATOM 206 C LYS A 15 1.540 -6.566 -5.082 1.00 1.12 C ATOM 207 O LYS A 15 2.562 -7.239 -4.897 1.00 14.02 O ATOM 208 CB LYS A 15 0.322 -7.259 -7.166 1.00 25.53 C ATOM 209 CG LYS A 15 -0.013 -7.077 -8.657 1.00 72.12 C ATOM 210 CD LYS A 15 -0.478 -8.407 -9.267 1.00 34.41 C ATOM 211 CE LYS A 15 -0.411 -8.342 -10.797 1.00 14.42 C ATOM 212 NZ LYS A 15 -0.609 -9.677 -11.399 1.00 30.35 N ATOM 0 H LYS A 15 2.751 -6.797 -7.629 1.00 12.13 H new ATOM 0 HA LYS A 15 0.548 -5.230 -6.449 1.00 34.34 H new ATOM 0 HB2 LYS A 15 0.867 -8.196 -7.052 1.00 25.53 H new ATOM 0 HB3 LYS A 15 -0.614 -7.366 -6.618 1.00 25.53 H new ATOM 0 HG2 LYS A 15 -0.793 -6.324 -8.772 1.00 72.12 H new ATOM 0 HG3 LYS A 15 0.864 -6.711 -9.191 1.00 72.12 H new ATOM 0 HD2 LYS A 15 0.149 -9.221 -8.903 1.00 34.41 H new ATOM 0 HD3 LYS A 15 -1.498 -8.624 -8.950 1.00 34.41 H new ATOM 0 HE2 LYS A 15 -1.173 -7.657 -11.168 1.00 14.42 H new ATOM 0 HE3 LYS A 15 0.555 -7.941 -11.104 1.00 14.42 H new ATOM 0 HZ1 LYS A 15 -0.558 -9.602 -12.435 1.00 30.35 H new ATOM 0 HZ2 LYS A 15 0.133 -10.323 -11.062 1.00 30.35 H new ATOM 0 HZ3 LYS A 15 -1.541 -10.047 -11.124 1.00 30.35 H new ATOM 226 N TRP A 16 0.698 -6.258 -4.097 1.00 14.45 N ATOM 227 CA TRP A 16 1.000 -6.369 -2.676 1.00 52.24 C ATOM 228 C TRP A 16 -0.232 -6.854 -1.914 1.00 54.40 C ATOM 229 O TRP A 16 -1.223 -6.125 -1.805 1.00 43.21 O ATOM 230 CB TRP A 16 1.434 -4.992 -2.177 1.00 30.23 C ATOM 231 CG TRP A 16 2.781 -4.545 -2.619 1.00 44.42 C ATOM 232 CD1 TRP A 16 3.072 -3.777 -3.694 1.00 2.44 C ATOM 233 CD2 TRP A 16 4.055 -4.913 -2.023 1.00 61.11 C ATOM 234 NE1 TRP A 16 4.429 -3.531 -3.713 1.00 71.22 N ATOM 235 CE2 TRP A 16 5.094 -4.305 -2.779 1.00 43.33 C ATOM 236 CE3 TRP A 16 4.430 -5.726 -0.933 1.00 33.24 C ATOM 237 CZ2 TRP A 16 6.444 -4.552 -2.495 1.00 61.51 C ATOM 238 CZ3 TRP A 16 5.782 -5.984 -0.653 1.00 72.22 C ATOM 239 CH2 TRP A 16 6.789 -5.408 -1.437 1.00 74.24 C ATOM 0 H TRP A 16 -0.245 -5.913 -4.275 1.00 14.45 H new ATOM 0 HA TRP A 16 1.799 -7.092 -2.512 1.00 52.24 H new ATOM 0 HB2 TRP A 16 0.700 -4.257 -2.508 1.00 30.23 H new ATOM 0 HB3 TRP A 16 1.412 -4.996 -1.087 1.00 30.23 H new ATOM 0 HD1 TRP A 16 2.358 -3.415 -4.419 1.00 2.44 H new ATOM 0 HE1 TRP A 16 4.884 -2.864 -4.336 1.00 71.22 H new ATOM 0 HE3 TRP A 16 3.665 -6.157 -0.304 1.00 33.24 H new ATOM 0 HZ2 TRP A 16 7.217 -4.085 -3.088 1.00 61.51 H new ATOM 0 HZ3 TRP A 16 6.046 -6.630 0.171 1.00 72.22 H new ATOM 0 HH2 TRP A 16 7.827 -5.621 -1.229 1.00 74.24 H new ATOM 250 N ILE A 17 -0.215 -8.088 -1.411 1.00 51.32 N ATOM 251 CA ILE A 17 -1.336 -8.650 -0.673 1.00 74.41 C ATOM 252 C ILE A 17 -1.355 -8.023 0.731 1.00 25.51 C ATOM 253 O ILE A 17 -0.302 -7.807 1.340 1.00 13.23 O ATOM 254 CB ILE A 17 -1.228 -10.195 -0.704 1.00 10.34 C ATOM 255 CG1 ILE A 17 -2.577 -10.886 -0.421 1.00 64.21 C ATOM 256 CG2 ILE A 17 -0.146 -10.778 0.208 1.00 42.23 C ATOM 257 CD1 ILE A 17 -3.296 -11.214 -1.729 1.00 22.41 C ATOM 0 H ILE A 17 0.578 -8.723 -1.506 1.00 51.32 H new ATOM 0 HA ILE A 17 -2.300 -8.413 -1.122 1.00 74.41 H new ATOM 0 HB ILE A 17 -0.924 -10.411 -1.728 1.00 10.34 H new ATOM 0 HG12 ILE A 17 -2.411 -11.800 0.149 1.00 64.21 H new ATOM 0 HG13 ILE A 17 -3.203 -10.237 0.192 1.00 64.21 H new ATOM 0 HG21 ILE A 17 -0.144 -11.865 0.121 1.00 42.23 H new ATOM 0 HG22 ILE A 17 0.828 -10.388 -0.088 1.00 42.23 H new ATOM 0 HG23 ILE A 17 -0.351 -10.497 1.241 1.00 42.23 H new ATOM 0 HD11 ILE A 17 -4.246 -11.701 -1.510 1.00 22.41 H new ATOM 0 HD12 ILE A 17 -3.480 -10.294 -2.284 1.00 22.41 H new ATOM 0 HD13 ILE A 17 -2.676 -11.881 -2.328 1.00 22.41 H new ATOM 269 N VAL A 18 -2.544 -7.757 1.274 1.00 32.51 N ATOM 270 CA VAL A 18 -2.730 -7.301 2.656 1.00 44.14 C ATOM 271 C VAL A 18 -3.467 -8.427 3.372 1.00 51.22 C ATOM 272 O VAL A 18 -4.647 -8.360 3.716 1.00 42.12 O ATOM 273 CB VAL A 18 -3.435 -5.941 2.784 1.00 5.14 C ATOM 274 CG1 VAL A 18 -3.060 -5.230 4.090 1.00 31.51 C ATOM 275 CG2 VAL A 18 -3.182 -5.004 1.603 1.00 51.02 C ATOM 0 H VAL A 18 -3.419 -7.853 0.760 1.00 32.51 H new ATOM 0 HA VAL A 18 -1.762 -7.105 3.118 1.00 44.14 H new ATOM 0 HB VAL A 18 -4.499 -6.176 2.789 1.00 5.14 H new ATOM 0 HG11 VAL A 18 -3.578 -4.272 4.145 1.00 31.51 H new ATOM 0 HG12 VAL A 18 -3.352 -5.849 4.938 1.00 31.51 H new ATOM 0 HG13 VAL A 18 -1.983 -5.062 4.117 1.00 31.51 H new ATOM 0 HG21 VAL A 18 -3.711 -4.065 1.764 1.00 51.02 H new ATOM 0 HG22 VAL A 18 -2.113 -4.808 1.516 1.00 51.02 H new ATOM 0 HG23 VAL A 18 -3.541 -5.470 0.685 1.00 51.02 H new ATOM 285 N LYS A 19 -2.750 -9.532 3.481 1.00 32.24 N ATOM 286 CA LYS A 19 -3.204 -10.773 4.104 1.00 72.32 C ATOM 287 C LYS A 19 -2.247 -11.173 5.232 1.00 74.02 C ATOM 288 O LYS A 19 -2.080 -12.352 5.526 1.00 43.21 O ATOM 289 CB LYS A 19 -3.413 -11.857 3.021 1.00 2.25 C ATOM 290 CG LYS A 19 -4.382 -12.928 3.535 1.00 41.43 C ATOM 291 CD LYS A 19 -4.662 -14.092 2.576 1.00 65.13 C ATOM 292 CE LYS A 19 -3.771 -15.291 2.930 1.00 64.23 C ATOM 293 NZ LYS A 19 -4.254 -16.552 2.334 1.00 5.05 N ATOM 0 H LYS A 19 -1.796 -9.596 3.125 1.00 32.24 H new ATOM 0 HA LYS A 19 -4.176 -10.636 4.578 1.00 72.32 H new ATOM 0 HB2 LYS A 19 -3.807 -11.404 2.112 1.00 2.25 H new ATOM 0 HB3 LYS A 19 -2.458 -12.313 2.761 1.00 2.25 H new ATOM 0 HG2 LYS A 19 -3.983 -13.336 4.464 1.00 41.43 H new ATOM 0 HG3 LYS A 19 -5.329 -12.447 3.778 1.00 41.43 H new ATOM 0 HD2 LYS A 19 -5.712 -14.379 2.636 1.00 65.13 H new ATOM 0 HD3 LYS A 19 -4.475 -13.780 1.548 1.00 65.13 H new ATOM 0 HE2 LYS A 19 -2.755 -15.097 2.587 1.00 64.23 H new ATOM 0 HE3 LYS A 19 -3.727 -15.399 4.014 1.00 64.23 H new ATOM 0 HZ1 LYS A 19 -3.618 -17.329 2.603 1.00 5.05 H new ATOM 0 HZ2 LYS A 19 -5.214 -16.754 2.680 1.00 5.05 H new ATOM 0 HZ3 LYS A 19 -4.271 -16.462 1.298 1.00 5.05 H new ATOM 307 N GLU A 20 -1.539 -10.210 5.824 1.00 12.11 N ATOM 308 CA GLU A 20 -0.349 -10.511 6.609 1.00 64.40 C ATOM 309 C GLU A 20 -0.042 -9.359 7.603 1.00 32.42 C ATOM 310 O GLU A 20 0.533 -8.340 7.218 1.00 14.55 O ATOM 311 CB GLU A 20 0.766 -10.813 5.592 1.00 23.24 C ATOM 312 CG GLU A 20 1.141 -12.303 5.544 1.00 70.11 C ATOM 313 CD GLU A 20 2.196 -12.697 6.566 1.00 43.52 C ATOM 314 OE1 GLU A 20 2.421 -11.967 7.557 1.00 55.30 O ATOM 315 OE2 GLU A 20 2.837 -13.757 6.384 1.00 21.04 O ATOM 0 H GLU A 20 -1.771 -9.218 5.773 1.00 12.11 H new ATOM 0 HA GLU A 20 -0.471 -11.380 7.255 1.00 64.40 H new ATOM 0 HB2 GLU A 20 0.444 -10.492 4.601 1.00 23.24 H new ATOM 0 HB3 GLU A 20 1.650 -10.228 5.845 1.00 23.24 H new ATOM 0 HG2 GLU A 20 0.245 -12.900 5.710 1.00 70.11 H new ATOM 0 HG3 GLU A 20 1.505 -12.546 4.546 1.00 70.11 H new ATOM 322 N PRO A 21 -0.472 -9.434 8.871 1.00 12.14 N ATOM 323 CA PRO A 21 -1.399 -10.435 9.358 1.00 2.12 C ATOM 324 C PRO A 21 -2.771 -10.221 8.712 1.00 0.44 C ATOM 325 O PRO A 21 -3.085 -9.131 8.219 1.00 33.24 O ATOM 326 CB PRO A 21 -1.449 -10.257 10.873 1.00 41.31 C ATOM 327 CG PRO A 21 -1.043 -8.799 11.105 1.00 75.41 C ATOM 328 CD PRO A 21 -0.218 -8.413 9.878 1.00 4.23 C ATOM 0 HA PRO A 21 -1.090 -11.450 9.107 1.00 2.12 H new ATOM 0 HB2 PRO A 21 -2.447 -10.457 11.263 1.00 41.31 H new ATOM 0 HB3 PRO A 21 -0.767 -10.943 11.375 1.00 41.31 H new ATOM 0 HG2 PRO A 21 -1.919 -8.158 11.208 1.00 75.41 H new ATOM 0 HG3 PRO A 21 -0.461 -8.693 12.020 1.00 75.41 H new ATOM 0 HD2 PRO A 21 -0.505 -7.427 9.512 1.00 4.23 H new ATOM 0 HD3 PRO A 21 0.843 -8.365 10.123 1.00 4.23 H new ATOM 336 N VAL A 22 -3.596 -11.257 8.695 1.00 62.34 N ATOM 337 CA VAL A 22 -4.893 -11.242 8.036 1.00 55.30 C ATOM 338 C VAL A 22 -5.990 -10.868 9.040 1.00 0.33 C ATOM 339 O VAL A 22 -5.791 -10.908 10.259 1.00 32.01 O ATOM 340 CB VAL A 22 -5.050 -12.539 7.208 1.00 55.51 C ATOM 341 CG1 VAL A 22 -4.617 -13.831 7.906 1.00 40.32 C ATOM 342 CG2 VAL A 22 -6.429 -12.730 6.573 1.00 10.35 C ATOM 0 H VAL A 22 -3.380 -12.146 9.146 1.00 62.34 H new ATOM 0 HA VAL A 22 -4.990 -10.453 7.290 1.00 55.30 H new ATOM 0 HB VAL A 22 -4.332 -12.358 6.408 1.00 55.51 H new ATOM 0 HG11 VAL A 22 -4.770 -14.676 7.235 1.00 40.32 H new ATOM 0 HG12 VAL A 22 -3.562 -13.765 8.171 1.00 40.32 H new ATOM 0 HG13 VAL A 22 -5.210 -13.973 8.809 1.00 40.32 H new ATOM 0 HG21 VAL A 22 -6.445 -13.665 6.013 1.00 10.35 H new ATOM 0 HG22 VAL A 22 -7.188 -12.762 7.355 1.00 10.35 H new ATOM 0 HG23 VAL A 22 -6.637 -11.899 5.899 1.00 10.35 H new ATOM 352 N LEU A 23 -7.122 -10.406 8.504 1.00 33.33 N ATOM 353 CA LEU A 23 -8.293 -9.956 9.237 1.00 75.22 C ATOM 354 C LEU A 23 -9.355 -11.048 9.169 1.00 13.43 C ATOM 355 O LEU A 23 -9.246 -12.001 8.395 1.00 52.40 O ATOM 356 CB LEU A 23 -8.832 -8.655 8.609 1.00 24.21 C ATOM 357 CG LEU A 23 -7.919 -7.424 8.751 1.00 40.11 C ATOM 358 CD1 LEU A 23 -8.580 -6.221 8.065 1.00 13.15 C ATOM 359 CD2 LEU A 23 -7.660 -7.075 10.218 1.00 32.42 C ATOM 0 H LEU A 23 -7.246 -10.335 7.494 1.00 33.33 H new ATOM 0 HA LEU A 23 -8.032 -9.758 10.277 1.00 75.22 H new ATOM 0 HB2 LEU A 23 -9.013 -8.831 7.549 1.00 24.21 H new ATOM 0 HB3 LEU A 23 -9.796 -8.425 9.063 1.00 24.21 H new ATOM 0 HG LEU A 23 -6.964 -7.661 8.282 1.00 40.11 H new ATOM 0 HD11 LEU A 23 -7.936 -5.347 8.163 1.00 13.15 H new ATOM 0 HD12 LEU A 23 -8.732 -6.443 7.009 1.00 13.15 H new ATOM 0 HD13 LEU A 23 -9.542 -6.018 8.535 1.00 13.15 H new ATOM 0 HD21 LEU A 23 -7.012 -6.201 10.275 1.00 32.42 H new ATOM 0 HD22 LEU A 23 -8.607 -6.858 10.713 1.00 32.42 H new ATOM 0 HD23 LEU A 23 -7.177 -7.918 10.713 1.00 32.42 H new ATOM 371 N GLN A 24 -10.410 -10.895 9.962 1.00 3.31 N ATOM 372 CA GLN A 24 -11.491 -11.860 10.054 1.00 40.41 C ATOM 373 C GLN A 24 -12.578 -11.605 9.009 1.00 44.51 C ATOM 374 O GLN A 24 -12.418 -10.803 8.084 1.00 24.11 O ATOM 375 CB GLN A 24 -12.012 -11.878 11.505 1.00 64.40 C ATOM 376 CG GLN A 24 -11.040 -12.622 12.429 1.00 71.24 C ATOM 377 CD GLN A 24 -10.899 -14.080 12.004 1.00 61.01 C ATOM 378 OE1 GLN A 24 -9.954 -14.466 11.327 1.00 41.32 O ATOM 379 NE2 GLN A 24 -11.856 -14.925 12.341 1.00 22.23 N ATOM 0 H GLN A 24 -10.537 -10.083 10.567 1.00 3.31 H new ATOM 0 HA GLN A 24 -11.121 -12.858 9.817 1.00 40.41 H new ATOM 0 HB2 GLN A 24 -12.146 -10.856 11.860 1.00 64.40 H new ATOM 0 HB3 GLN A 24 -12.990 -12.358 11.538 1.00 64.40 H new ATOM 0 HG2 GLN A 24 -10.065 -12.136 12.406 1.00 71.24 H new ATOM 0 HG3 GLN A 24 -11.397 -12.571 13.457 1.00 71.24 H new ATOM 0 HE21 GLN A 24 -12.644 -14.605 12.905 1.00 22.23 H new ATOM 0 HE22 GLN A 24 -11.808 -15.898 12.038 1.00 22.23 H new ATOM 388 N ASP A 25 -13.662 -12.362 9.142 1.00 74.31 N ATOM 389 CA ASP A 25 -14.889 -12.413 8.372 1.00 44.14 C ATOM 390 C ASP A 25 -14.554 -12.825 6.951 1.00 25.32 C ATOM 391 O ASP A 25 -14.527 -14.016 6.649 1.00 63.40 O ATOM 392 CB ASP A 25 -15.680 -11.094 8.481 1.00 62.45 C ATOM 393 CG ASP A 25 -16.129 -10.756 9.901 1.00 52.44 C ATOM 394 OD1 ASP A 25 -16.171 -11.643 10.785 1.00 34.04 O ATOM 395 OD2 ASP A 25 -16.428 -9.564 10.127 1.00 15.31 O ATOM 0 H ASP A 25 -13.699 -13.046 9.898 1.00 74.31 H new ATOM 0 HA ASP A 25 -15.563 -13.166 8.779 1.00 44.14 H new ATOM 0 HB2 ASP A 25 -15.063 -10.279 8.102 1.00 62.45 H new ATOM 0 HB3 ASP A 25 -16.558 -11.154 7.838 1.00 62.45 H new ATOM 400 N ASP A 26 -14.189 -11.857 6.126 1.00 61.24 N ATOM 401 CA ASP A 26 -13.739 -12.005 4.747 1.00 33.21 C ATOM 402 C ASP A 26 -12.947 -10.780 4.271 1.00 14.23 C ATOM 403 O ASP A 26 -12.824 -10.513 3.077 1.00 61.50 O ATOM 404 CB ASP A 26 -14.928 -12.305 3.823 1.00 44.41 C ATOM 405 CG ASP A 26 -14.456 -12.778 2.447 1.00 70.40 C ATOM 406 OD1 ASP A 26 -13.548 -13.639 2.385 1.00 1.13 O ATOM 407 OD2 ASP A 26 -15.030 -12.339 1.425 1.00 44.01 O ATOM 0 H ASP A 26 -14.199 -10.880 6.420 1.00 61.24 H new ATOM 0 HA ASP A 26 -13.056 -12.854 4.706 1.00 33.21 H new ATOM 0 HB2 ASP A 26 -15.560 -13.069 4.276 1.00 44.41 H new ATOM 0 HB3 ASP A 26 -15.540 -11.410 3.712 1.00 44.41 H new ATOM 412 N PHE A 27 -12.441 -9.969 5.203 1.00 50.10 N ATOM 413 CA PHE A 27 -11.647 -8.800 4.892 1.00 44.31 C ATOM 414 C PHE A 27 -10.305 -9.244 4.303 1.00 70.23 C ATOM 415 O PHE A 27 -9.495 -9.886 4.977 1.00 21.33 O ATOM 416 CB PHE A 27 -11.502 -7.923 6.140 1.00 40.22 C ATOM 417 CG PHE A 27 -12.785 -7.205 6.516 1.00 75.23 C ATOM 418 CD1 PHE A 27 -13.250 -6.158 5.700 1.00 21.32 C ATOM 419 CD2 PHE A 27 -13.533 -7.583 7.649 1.00 1.02 C ATOM 420 CE1 PHE A 27 -14.444 -5.492 6.001 1.00 41.21 C ATOM 421 CE2 PHE A 27 -14.744 -6.927 7.941 1.00 72.42 C ATOM 422 CZ PHE A 27 -15.201 -5.887 7.110 1.00 51.15 C ATOM 0 H PHE A 27 -12.578 -10.116 6.203 1.00 50.10 H new ATOM 0 HA PHE A 27 -12.140 -8.186 4.139 1.00 44.31 H new ATOM 0 HB2 PHE A 27 -11.181 -8.543 6.977 1.00 40.22 H new ATOM 0 HB3 PHE A 27 -10.717 -7.186 5.970 1.00 40.22 H new ATOM 0 HD1 PHE A 27 -12.679 -5.864 4.831 1.00 21.32 H new ATOM 0 HD2 PHE A 27 -13.178 -8.375 8.292 1.00 1.02 H new ATOM 0 HE1 PHE A 27 -14.780 -4.676 5.379 1.00 41.21 H new ATOM 0 HE2 PHE A 27 -15.323 -7.222 8.804 1.00 72.42 H new ATOM 0 HZ PHE A 27 -16.136 -5.393 7.328 1.00 51.15 H new ATOM 432 N VAL A 28 -10.087 -8.882 3.042 1.00 25.15 N ATOM 433 CA VAL A 28 -8.824 -8.999 2.315 1.00 61.52 C ATOM 434 C VAL A 28 -8.510 -7.649 1.676 1.00 72.32 C ATOM 435 O VAL A 28 -9.395 -6.791 1.563 1.00 52.05 O ATOM 436 CB VAL A 28 -8.903 -10.126 1.253 1.00 71.23 C ATOM 437 CG1 VAL A 28 -8.998 -11.515 1.892 1.00 50.33 C ATOM 438 CG2 VAL A 28 -10.075 -9.968 0.270 1.00 45.21 C ATOM 0 H VAL A 28 -10.826 -8.477 2.468 1.00 25.15 H new ATOM 0 HA VAL A 28 -8.021 -9.268 3.001 1.00 61.52 H new ATOM 0 HB VAL A 28 -7.971 -10.033 0.695 1.00 71.23 H new ATOM 0 HG11 VAL A 28 -9.051 -12.272 1.110 1.00 50.33 H new ATOM 0 HG12 VAL A 28 -8.118 -11.692 2.510 1.00 50.33 H new ATOM 0 HG13 VAL A 28 -9.893 -11.570 2.512 1.00 50.33 H new ATOM 0 HG21 VAL A 28 -10.066 -10.793 -0.443 1.00 45.21 H new ATOM 0 HG22 VAL A 28 -11.015 -9.975 0.821 1.00 45.21 H new ATOM 0 HG23 VAL A 28 -9.976 -9.024 -0.266 1.00 45.21 H new ATOM 448 N THR A 29 -7.264 -7.431 1.246 1.00 42.22 N ATOM 449 CA THR A 29 -6.953 -6.361 0.302 1.00 30.23 C ATOM 450 C THR A 29 -5.763 -6.824 -0.544 1.00 30.51 C ATOM 451 O THR A 29 -5.021 -7.739 -0.158 1.00 12.43 O ATOM 452 CB THR A 29 -6.669 -5.063 1.084 1.00 13.14 C ATOM 453 OG1 THR A 29 -7.748 -4.716 1.924 1.00 61.31 O ATOM 454 CG2 THR A 29 -6.265 -3.856 0.228 1.00 12.23 C ATOM 0 H THR A 29 -6.457 -7.982 1.538 1.00 42.22 H new ATOM 0 HA THR A 29 -7.786 -6.146 -0.367 1.00 30.23 H new ATOM 0 HB THR A 29 -5.793 -5.307 1.685 1.00 13.14 H new ATOM 0 HG1 THR A 29 -8.551 -5.202 1.643 1.00 61.31 H new ATOM 0 HG21 THR A 29 -6.088 -2.995 0.873 1.00 12.23 H new ATOM 0 HG22 THR A 29 -5.354 -4.090 -0.324 1.00 12.23 H new ATOM 0 HG23 THR A 29 -7.065 -3.624 -0.475 1.00 12.23 H new ATOM 462 N CYS A 30 -5.557 -6.176 -1.686 1.00 33.54 N ATOM 463 CA CYS A 30 -4.473 -6.414 -2.618 1.00 71.32 C ATOM 464 C CYS A 30 -4.112 -5.058 -3.227 1.00 11.33 C ATOM 465 O CYS A 30 -4.684 -4.663 -4.247 1.00 10.12 O ATOM 466 CB CYS A 30 -4.919 -7.462 -3.654 1.00 24.15 C ATOM 467 SG CYS A 30 -6.574 -7.096 -4.323 1.00 10.25 S ATOM 0 H CYS A 30 -6.179 -5.431 -1.998 1.00 33.54 H new ATOM 0 HA CYS A 30 -3.582 -6.825 -2.143 1.00 71.32 H new ATOM 0 HB2 CYS A 30 -4.197 -7.496 -4.470 1.00 24.15 H new ATOM 0 HB3 CYS A 30 -4.924 -8.449 -3.192 1.00 24.15 H new ATOM 0 HG CYS A 30 -6.636 -5.844 -4.668 1.00 10.25 H new ATOM 473 N TYR A 31 -3.244 -4.280 -2.567 1.00 73.51 N ATOM 474 CA TYR A 31 -2.781 -3.032 -3.167 1.00 50.03 C ATOM 475 C TYR A 31 -2.058 -3.390 -4.459 1.00 44.12 C ATOM 476 O TYR A 31 -1.451 -4.459 -4.605 1.00 12.45 O ATOM 477 CB TYR A 31 -1.852 -2.214 -2.250 1.00 43.32 C ATOM 478 CG TYR A 31 -2.567 -1.287 -1.282 1.00 43.14 C ATOM 479 CD1 TYR A 31 -3.141 -1.833 -0.125 1.00 41.11 C ATOM 480 CD2 TYR A 31 -2.677 0.101 -1.528 1.00 65.45 C ATOM 481 CE1 TYR A 31 -3.826 -1.017 0.788 1.00 54.15 C ATOM 482 CE2 TYR A 31 -3.377 0.925 -0.631 1.00 4.10 C ATOM 483 CZ TYR A 31 -3.948 0.366 0.532 1.00 10.42 C ATOM 484 OH TYR A 31 -4.587 1.147 1.435 1.00 4.42 O ATOM 0 H TYR A 31 -2.860 -4.487 -1.645 1.00 73.51 H new ATOM 0 HA TYR A 31 -3.647 -2.396 -3.347 1.00 50.03 H new ATOM 0 HB2 TYR A 31 -1.230 -2.903 -1.679 1.00 43.32 H new ATOM 0 HB3 TYR A 31 -1.182 -1.620 -2.872 1.00 43.32 H new ATOM 0 HD1 TYR A 31 -3.055 -2.893 0.065 1.00 41.11 H new ATOM 0 HD2 TYR A 31 -2.221 0.529 -2.409 1.00 65.45 H new ATOM 0 HE1 TYR A 31 -4.257 -1.444 1.681 1.00 54.15 H new ATOM 0 HE2 TYR A 31 -3.478 1.982 -0.831 1.00 4.10 H new ATOM 0 HH TYR A 31 -4.590 2.075 1.121 1.00 4.42 H new ATOM 494 N THR A 32 -2.088 -2.479 -5.413 1.00 41.11 N ATOM 495 CA THR A 32 -1.230 -2.542 -6.579 1.00 64.42 C ATOM 496 C THR A 32 -0.891 -1.094 -6.886 1.00 53.43 C ATOM 497 O THR A 32 -1.799 -0.261 -6.988 1.00 62.24 O ATOM 498 CB THR A 32 -1.945 -3.285 -7.722 1.00 62.53 C ATOM 499 OG1 THR A 32 -2.325 -4.588 -7.315 1.00 30.44 O ATOM 500 CG2 THR A 32 -1.038 -3.426 -8.948 1.00 62.11 C ATOM 0 H THR A 32 -2.711 -1.671 -5.400 1.00 41.11 H new ATOM 0 HA THR A 32 -0.312 -3.109 -6.425 1.00 64.42 H new ATOM 0 HB THR A 32 -2.825 -2.695 -7.978 1.00 62.53 H new ATOM 0 HG1 THR A 32 -2.779 -5.042 -8.055 1.00 30.44 H new ATOM 0 HG21 THR A 32 -1.572 -3.955 -9.737 1.00 62.11 H new ATOM 0 HG22 THR A 32 -0.751 -2.437 -9.304 1.00 62.11 H new ATOM 0 HG23 THR A 32 -0.144 -3.987 -8.676 1.00 62.11 H new ATOM 508 N PHE A 33 0.400 -0.768 -6.950 1.00 72.21 N ATOM 509 CA PHE A 33 0.817 0.559 -7.372 1.00 23.32 C ATOM 510 C PHE A 33 1.112 0.514 -8.862 1.00 71.13 C ATOM 511 O PHE A 33 0.961 -0.514 -9.530 1.00 62.43 O ATOM 512 CB PHE A 33 1.925 1.136 -6.468 1.00 62.54 C ATOM 513 CG PHE A 33 1.410 1.322 -5.065 1.00 14.11 C ATOM 514 CD1 PHE A 33 1.427 0.268 -4.132 1.00 73.22 C ATOM 515 CD2 PHE A 33 0.854 2.561 -4.717 1.00 72.43 C ATOM 516 CE1 PHE A 33 0.890 0.465 -2.849 1.00 4.14 C ATOM 517 CE2 PHE A 33 0.348 2.758 -3.430 1.00 51.42 C ATOM 518 CZ PHE A 33 0.366 1.717 -2.491 1.00 12.04 C ATOM 0 H PHE A 33 1.165 -1.401 -6.716 1.00 72.21 H new ATOM 0 HA PHE A 33 0.016 1.286 -7.239 1.00 23.32 H new ATOM 0 HB2 PHE A 33 2.784 0.466 -6.461 1.00 62.54 H new ATOM 0 HB3 PHE A 33 2.268 2.091 -6.866 1.00 62.54 H new ATOM 0 HD1 PHE A 33 1.851 -0.688 -4.401 1.00 73.22 H new ATOM 0 HD2 PHE A 33 0.817 3.361 -5.442 1.00 72.43 H new ATOM 0 HE1 PHE A 33 0.880 -0.347 -2.138 1.00 4.14 H new ATOM 0 HE2 PHE A 33 -0.060 3.720 -3.156 1.00 51.42 H new ATOM 0 HZ PHE A 33 -0.022 1.878 -1.496 1.00 12.04 H new ATOM 528 N ASN A 34 1.432 1.668 -9.420 1.00 23.22 N ATOM 529 CA ASN A 34 1.872 1.840 -10.794 1.00 24.45 C ATOM 530 C ASN A 34 3.195 2.594 -10.688 1.00 31.45 C ATOM 531 O ASN A 34 3.581 2.989 -9.585 1.00 23.15 O ATOM 532 CB ASN A 34 0.840 2.634 -11.614 1.00 32.32 C ATOM 533 CG ASN A 34 -0.592 2.094 -11.661 1.00 14.31 C ATOM 534 OD1 ASN A 34 -1.475 2.810 -12.111 1.00 34.33 O ATOM 535 ND2 ASN A 34 -0.884 0.887 -11.208 1.00 54.23 N ATOM 0 H ASN A 34 1.391 2.548 -8.907 1.00 23.22 H new ATOM 0 HA ASN A 34 1.986 0.887 -11.310 1.00 24.45 H new ATOM 0 HB2 ASN A 34 0.804 3.649 -11.217 1.00 32.32 H new ATOM 0 HB3 ASN A 34 1.207 2.705 -12.638 1.00 32.32 H new ATOM 0 HD21 ASN A 34 -1.847 0.552 -11.234 1.00 54.23 H new ATOM 0 HD22 ASN A 34 -0.146 0.291 -10.833 1.00 54.23 H new ATOM 542 N ALA A 35 3.889 2.832 -11.800 1.00 41.31 N ATOM 543 CA ALA A 35 5.031 3.734 -11.738 1.00 42.32 C ATOM 544 C ALA A 35 4.519 5.151 -11.472 1.00 71.14 C ATOM 545 O ALA A 35 5.014 5.825 -10.577 1.00 3.45 O ATOM 546 CB ALA A 35 5.864 3.658 -13.015 1.00 53.24 C ATOM 0 H ALA A 35 3.691 2.431 -12.717 1.00 41.31 H new ATOM 0 HA ALA A 35 5.692 3.437 -10.924 1.00 42.32 H new ATOM 0 HB1 ALA A 35 6.709 4.342 -12.939 1.00 53.24 H new ATOM 0 HB2 ALA A 35 6.232 2.641 -13.150 1.00 53.24 H new ATOM 0 HB3 ALA A 35 5.247 3.937 -13.869 1.00 53.24 H new ATOM 552 N ASP A 36 3.522 5.604 -12.238 1.00 22.23 N ATOM 553 CA ASP A 36 3.208 7.031 -12.354 1.00 25.20 C ATOM 554 C ASP A 36 1.760 7.321 -12.770 1.00 2.40 C ATOM 555 O ASP A 36 1.433 8.461 -13.089 1.00 74.14 O ATOM 556 CB ASP A 36 4.207 7.699 -13.321 1.00 23.14 C ATOM 557 CG ASP A 36 4.084 7.266 -14.785 1.00 42.32 C ATOM 558 OD1 ASP A 36 4.084 6.044 -15.070 1.00 2.20 O ATOM 559 OD2 ASP A 36 4.095 8.159 -15.662 1.00 3.24 O ATOM 0 H ASP A 36 2.915 4.998 -12.790 1.00 22.23 H new ATOM 0 HA ASP A 36 3.308 7.459 -11.357 1.00 25.20 H new ATOM 0 HB2 ASP A 36 4.075 8.780 -13.266 1.00 23.14 H new ATOM 0 HB3 ASP A 36 5.219 7.484 -12.979 1.00 23.14 H new ATOM 564 N LYS A 37 0.871 6.325 -12.784 1.00 42.43 N ATOM 565 CA LYS A 37 -0.491 6.451 -13.293 1.00 65.21 C ATOM 566 C LYS A 37 -1.512 6.620 -12.157 1.00 1.44 C ATOM 567 O LYS A 37 -2.009 7.727 -11.954 1.00 30.14 O ATOM 568 CB LYS A 37 -0.708 5.251 -14.225 1.00 23.53 C ATOM 569 CG LYS A 37 -2.127 5.094 -14.765 1.00 33.44 C ATOM 570 CD LYS A 37 -2.437 6.009 -15.930 1.00 5.00 C ATOM 571 CE LYS A 37 -1.852 5.476 -17.247 1.00 5.20 C ATOM 572 NZ LYS A 37 -2.279 6.273 -18.418 1.00 53.31 N ATOM 0 H LYS A 37 1.085 5.391 -12.434 1.00 42.43 H new ATOM 0 HA LYS A 37 -0.644 7.362 -13.871 1.00 65.21 H new ATOM 0 HB2 LYS A 37 -0.023 5.338 -15.069 1.00 23.53 H new ATOM 0 HB3 LYS A 37 -0.438 4.341 -13.688 1.00 23.53 H new ATOM 0 HG2 LYS A 37 -2.276 4.060 -15.076 1.00 33.44 H new ATOM 0 HG3 LYS A 37 -2.836 5.290 -13.961 1.00 33.44 H new ATOM 0 HD2 LYS A 37 -3.517 6.117 -16.030 1.00 5.00 H new ATOM 0 HD3 LYS A 37 -2.035 7.002 -15.729 1.00 5.00 H new ATOM 0 HE2 LYS A 37 -0.764 5.480 -17.186 1.00 5.20 H new ATOM 0 HE3 LYS A 37 -2.160 4.439 -17.385 1.00 5.20 H new ATOM 0 HZ1 LYS A 37 -1.859 5.874 -19.281 1.00 53.31 H new ATOM 0 HZ2 LYS A 37 -3.316 6.249 -18.495 1.00 53.31 H new ATOM 0 HZ3 LYS A 37 -1.963 7.257 -18.302 1.00 53.31 H new ATOM 586 N THR A 38 -1.846 5.562 -11.423 1.00 42.32 N ATOM 587 CA THR A 38 -2.843 5.499 -10.355 1.00 44.05 C ATOM 588 C THR A 38 -2.314 4.473 -9.327 1.00 1.43 C ATOM 589 O THR A 38 -1.113 4.171 -9.303 1.00 53.22 O ATOM 590 CB THR A 38 -4.249 5.253 -10.968 1.00 54.34 C ATOM 591 OG1 THR A 38 -5.244 5.163 -9.974 1.00 73.13 O ATOM 592 CG2 THR A 38 -4.401 4.025 -11.855 1.00 45.22 C ATOM 0 H THR A 38 -1.394 4.659 -11.569 1.00 42.32 H new ATOM 0 HA THR A 38 -2.985 6.430 -9.806 1.00 44.05 H new ATOM 0 HB THR A 38 -4.371 6.129 -11.605 1.00 54.34 H new ATOM 0 HG1 THR A 38 -5.572 6.061 -9.758 1.00 73.13 H new ATOM 0 HG21 THR A 38 -5.426 3.965 -12.221 1.00 45.22 H new ATOM 0 HG22 THR A 38 -3.718 4.100 -12.701 1.00 45.22 H new ATOM 0 HG23 THR A 38 -4.168 3.129 -11.279 1.00 45.22 H new ATOM 600 N TYR A 39 -3.172 4.006 -8.422 1.00 4.34 N ATOM 601 CA TYR A 39 -2.991 2.832 -7.575 1.00 30.24 C ATOM 602 C TYR A 39 -4.335 2.095 -7.516 1.00 64.32 C ATOM 603 O TYR A 39 -5.320 2.550 -8.107 1.00 65.11 O ATOM 604 CB TYR A 39 -2.508 3.226 -6.166 1.00 21.13 C ATOM 605 CG TYR A 39 -3.557 3.891 -5.284 1.00 61.44 C ATOM 606 CD1 TYR A 39 -3.907 5.230 -5.519 1.00 31.34 C ATOM 607 CD2 TYR A 39 -4.165 3.195 -4.218 1.00 32.12 C ATOM 608 CE1 TYR A 39 -4.853 5.871 -4.702 1.00 31.34 C ATOM 609 CE2 TYR A 39 -5.126 3.832 -3.406 1.00 61.12 C ATOM 610 CZ TYR A 39 -5.490 5.172 -3.658 1.00 11.40 C ATOM 611 OH TYR A 39 -6.419 5.800 -2.886 1.00 53.03 O ATOM 0 H TYR A 39 -4.066 4.466 -8.251 1.00 4.34 H new ATOM 0 HA TYR A 39 -2.222 2.182 -7.992 1.00 30.24 H new ATOM 0 HB2 TYR A 39 -2.145 2.331 -5.660 1.00 21.13 H new ATOM 0 HB3 TYR A 39 -1.659 3.902 -6.266 1.00 21.13 H new ATOM 0 HD1 TYR A 39 -3.446 5.770 -6.333 1.00 31.34 H new ATOM 0 HD2 TYR A 39 -3.893 2.168 -4.023 1.00 32.12 H new ATOM 0 HE1 TYR A 39 -5.094 6.909 -4.876 1.00 31.34 H new ATOM 0 HE2 TYR A 39 -5.584 3.293 -2.590 1.00 61.12 H new ATOM 0 HH TYR A 39 -6.511 6.731 -3.177 1.00 53.03 H new ATOM 621 N GLU A 40 -4.402 0.984 -6.786 1.00 50.41 N ATOM 622 CA GLU A 40 -5.654 0.337 -6.413 1.00 1.31 C ATOM 623 C GLU A 40 -5.674 0.049 -4.913 1.00 25.20 C ATOM 624 O GLU A 40 -4.628 -0.258 -4.330 1.00 50.22 O ATOM 625 CB GLU A 40 -5.791 -1.014 -7.134 1.00 10.30 C ATOM 626 CG GLU A 40 -6.159 -0.903 -8.613 1.00 21.22 C ATOM 627 CD GLU A 40 -6.454 -2.272 -9.236 1.00 30.44 C ATOM 628 OE1 GLU A 40 -5.862 -3.303 -8.822 1.00 74.24 O ATOM 629 OE2 GLU A 40 -7.197 -2.318 -10.237 1.00 31.44 O ATOM 0 H GLU A 40 -3.575 0.502 -6.433 1.00 50.41 H new ATOM 0 HA GLU A 40 -6.468 1.007 -6.690 1.00 1.31 H new ATOM 0 HB2 GLU A 40 -4.850 -1.557 -7.046 1.00 10.30 H new ATOM 0 HB3 GLU A 40 -6.551 -1.608 -6.626 1.00 10.30 H new ATOM 0 HG2 GLU A 40 -7.032 -0.259 -8.722 1.00 21.22 H new ATOM 0 HG3 GLU A 40 -5.342 -0.427 -9.155 1.00 21.22 H new ATOM 636 N VAL A 41 -6.875 0.043 -4.330 1.00 64.35 N ATOM 637 CA VAL A 41 -7.190 -0.530 -3.026 1.00 71.24 C ATOM 638 C VAL A 41 -8.652 -1.002 -3.035 1.00 52.24 C ATOM 639 O VAL A 41 -9.456 -0.484 -3.812 1.00 12.20 O ATOM 640 CB VAL A 41 -6.921 0.520 -1.923 1.00 13.23 C ATOM 641 CG1 VAL A 41 -7.828 1.756 -1.955 1.00 24.21 C ATOM 642 CG2 VAL A 41 -6.995 -0.107 -0.527 1.00 63.31 C ATOM 0 H VAL A 41 -7.691 0.458 -4.779 1.00 64.35 H new ATOM 0 HA VAL A 41 -6.557 -1.392 -2.816 1.00 71.24 H new ATOM 0 HB VAL A 41 -5.912 0.870 -2.142 1.00 13.23 H new ATOM 0 HG11 VAL A 41 -7.556 2.428 -1.141 1.00 24.21 H new ATOM 0 HG12 VAL A 41 -7.706 2.272 -2.907 1.00 24.21 H new ATOM 0 HG13 VAL A 41 -8.867 1.448 -1.840 1.00 24.21 H new ATOM 0 HG21 VAL A 41 -6.801 0.657 0.226 1.00 63.31 H new ATOM 0 HG22 VAL A 41 -7.988 -0.528 -0.369 1.00 63.31 H new ATOM 0 HG23 VAL A 41 -6.248 -0.897 -0.443 1.00 63.31 H new ATOM 652 N TYR A 42 -9.021 -1.928 -2.146 1.00 51.03 N ATOM 653 CA TYR A 42 -10.353 -2.048 -1.558 1.00 11.30 C ATOM 654 C TYR A 42 -10.248 -2.896 -0.288 1.00 74.55 C ATOM 655 O TYR A 42 -9.295 -3.653 -0.148 1.00 65.54 O ATOM 656 CB TYR A 42 -11.320 -2.707 -2.548 1.00 25.44 C ATOM 657 CG TYR A 42 -11.188 -4.204 -2.701 1.00 62.42 C ATOM 658 CD1 TYR A 42 -10.191 -4.724 -3.542 1.00 74.45 C ATOM 659 CD2 TYR A 42 -12.104 -5.064 -2.068 1.00 13.31 C ATOM 660 CE1 TYR A 42 -10.111 -6.108 -3.761 1.00 43.31 C ATOM 661 CE2 TYR A 42 -12.032 -6.448 -2.283 1.00 51.12 C ATOM 662 CZ TYR A 42 -11.028 -6.974 -3.129 1.00 31.10 C ATOM 663 OH TYR A 42 -10.991 -8.298 -3.427 1.00 52.05 O ATOM 0 H TYR A 42 -8.375 -2.640 -1.805 1.00 51.03 H new ATOM 0 HA TYR A 42 -10.737 -1.057 -1.318 1.00 11.30 H new ATOM 0 HB2 TYR A 42 -12.339 -2.482 -2.235 1.00 25.44 H new ATOM 0 HB3 TYR A 42 -11.178 -2.247 -3.526 1.00 25.44 H new ATOM 0 HD1 TYR A 42 -9.486 -4.060 -4.020 1.00 74.45 H new ATOM 0 HD2 TYR A 42 -12.863 -4.658 -1.416 1.00 13.31 H new ATOM 0 HE1 TYR A 42 -9.349 -6.509 -4.412 1.00 43.31 H new ATOM 0 HE2 TYR A 42 -12.740 -7.109 -1.805 1.00 51.12 H new ATOM 0 HH TYR A 42 -11.681 -8.768 -2.914 1.00 52.05 H new ATOM 673 N THR A 43 -11.234 -2.872 0.607 1.00 50.32 N ATOM 674 CA THR A 43 -11.369 -3.903 1.643 1.00 42.33 C ATOM 675 C THR A 43 -12.860 -4.169 1.835 1.00 71.53 C ATOM 676 O THR A 43 -13.655 -3.233 1.717 1.00 62.23 O ATOM 677 CB THR A 43 -10.726 -3.451 2.978 1.00 35.50 C ATOM 678 OG1 THR A 43 -9.515 -2.730 2.804 1.00 42.45 O ATOM 679 CG2 THR A 43 -10.463 -4.613 3.950 1.00 73.24 C ATOM 0 H THR A 43 -11.954 -2.150 0.638 1.00 50.32 H new ATOM 0 HA THR A 43 -10.850 -4.809 1.332 1.00 42.33 H new ATOM 0 HB THR A 43 -11.474 -2.787 3.411 1.00 35.50 H new ATOM 0 HG1 THR A 43 -8.817 -3.336 2.478 1.00 42.45 H new ATOM 0 HG21 THR A 43 -10.012 -4.227 4.864 1.00 73.24 H new ATOM 0 HG22 THR A 43 -11.405 -5.107 4.190 1.00 73.24 H new ATOM 0 HG23 THR A 43 -9.786 -5.330 3.486 1.00 73.24 H new ATOM 687 N GLY A 44 -13.259 -5.393 2.176 1.00 65.11 N ATOM 688 CA GLY A 44 -14.641 -5.719 2.479 1.00 52.35 C ATOM 689 C GLY A 44 -15.432 -5.856 1.192 1.00 30.33 C ATOM 690 O GLY A 44 -15.501 -6.951 0.630 1.00 1.23 O ATOM 0 H GLY A 44 -12.624 -6.188 2.249 1.00 65.11 H new ATOM 0 HA2 GLY A 44 -14.689 -6.648 3.046 1.00 52.35 H new ATOM 0 HA3 GLY A 44 -15.079 -4.941 3.104 1.00 52.35 H new ATOM 694 N SER A 45 -15.988 -4.740 0.734 1.00 62.22 N ATOM 695 CA SER A 45 -16.997 -4.607 -0.311 1.00 53.34 C ATOM 696 C SER A 45 -18.319 -5.250 0.130 1.00 33.14 C ATOM 697 O SER A 45 -18.346 -6.038 1.079 1.00 14.20 O ATOM 698 CB SER A 45 -16.476 -5.137 -1.663 1.00 4.12 C ATOM 699 OG SER A 45 -15.926 -4.093 -2.437 1.00 54.33 O ATOM 0 H SER A 45 -15.723 -3.831 1.115 1.00 62.22 H new ATOM 0 HA SER A 45 -17.205 -3.549 -0.469 1.00 53.34 H new ATOM 0 HB2 SER A 45 -15.721 -5.904 -1.490 1.00 4.12 H new ATOM 0 HB3 SER A 45 -17.291 -5.610 -2.211 1.00 4.12 H new ATOM 0 HG SER A 45 -15.115 -4.411 -2.886 1.00 54.33 H new ATOM 705 N PRO A 46 -19.439 -4.940 -0.544 1.00 3.10 N ATOM 706 CA PRO A 46 -20.721 -5.539 -0.199 1.00 13.31 C ATOM 707 C PRO A 46 -20.772 -7.027 -0.549 1.00 61.35 C ATOM 708 O PRO A 46 -21.552 -7.760 0.051 1.00 11.40 O ATOM 709 CB PRO A 46 -21.761 -4.736 -0.977 1.00 73.44 C ATOM 710 CG PRO A 46 -20.998 -4.159 -2.166 1.00 61.22 C ATOM 711 CD PRO A 46 -19.588 -3.962 -1.617 1.00 61.35 C ATOM 0 HA PRO A 46 -20.904 -5.500 0.875 1.00 13.31 H new ATOM 0 HB2 PRO A 46 -22.585 -5.369 -1.305 1.00 73.44 H new ATOM 0 HB3 PRO A 46 -22.192 -3.946 -0.362 1.00 73.44 H new ATOM 0 HG2 PRO A 46 -21.007 -4.839 -3.018 1.00 61.22 H new ATOM 0 HG3 PRO A 46 -21.433 -3.219 -2.505 1.00 61.22 H new ATOM 0 HD2 PRO A 46 -18.840 -4.118 -2.395 1.00 61.35 H new ATOM 0 HD3 PRO A 46 -19.452 -2.947 -1.243 1.00 61.35 H new ATOM 719 N LEU A 47 -19.943 -7.466 -1.506 1.00 32.21 N ATOM 720 CA LEU A 47 -19.974 -8.812 -2.075 1.00 1.11 C ATOM 721 C LEU A 47 -18.593 -9.481 -2.089 1.00 21.50 C ATOM 722 O LEU A 47 -18.474 -10.621 -2.542 1.00 64.12 O ATOM 723 CB LEU A 47 -20.560 -8.761 -3.503 1.00 42.42 C ATOM 724 CG LEU A 47 -22.019 -8.269 -3.602 1.00 62.15 C ATOM 725 CD1 LEU A 47 -22.456 -8.224 -5.069 1.00 10.02 C ATOM 726 CD2 LEU A 47 -23.013 -9.155 -2.842 1.00 64.24 C ATOM 0 H LEU A 47 -19.216 -6.877 -1.913 1.00 32.21 H new ATOM 0 HA LEU A 47 -20.611 -9.421 -1.434 1.00 1.11 H new ATOM 0 HB2 LEU A 47 -19.933 -8.110 -4.112 1.00 42.42 H new ATOM 0 HB3 LEU A 47 -20.500 -9.759 -3.938 1.00 42.42 H new ATOM 0 HG LEU A 47 -22.033 -7.278 -3.147 1.00 62.15 H new ATOM 0 HD11 LEU A 47 -23.487 -7.876 -5.131 1.00 10.02 H new ATOM 0 HD12 LEU A 47 -21.809 -7.542 -5.621 1.00 10.02 H new ATOM 0 HD13 LEU A 47 -22.384 -9.222 -5.501 1.00 10.02 H new ATOM 0 HD21 LEU A 47 -24.019 -8.751 -2.954 1.00 64.24 H new ATOM 0 HD22 LEU A 47 -22.981 -10.167 -3.246 1.00 64.24 H new ATOM 0 HD23 LEU A 47 -22.746 -9.177 -1.785 1.00 64.24 H new ATOM 738 N SER A 48 -17.555 -8.799 -1.591 1.00 10.41 N ATOM 739 CA SER A 48 -16.146 -9.026 -1.916 1.00 31.50 C ATOM 740 C SER A 48 -15.863 -8.770 -3.407 1.00 61.25 C ATOM 741 O SER A 48 -16.720 -8.950 -4.269 1.00 74.22 O ATOM 742 CB SER A 48 -15.634 -10.356 -1.322 1.00 61.45 C ATOM 743 OG SER A 48 -14.805 -11.114 -2.189 1.00 5.20 O ATOM 0 H SER A 48 -17.682 -8.041 -0.921 1.00 10.41 H new ATOM 0 HA SER A 48 -15.528 -8.280 -1.416 1.00 31.50 H new ATOM 0 HB2 SER A 48 -15.080 -10.140 -0.409 1.00 61.45 H new ATOM 0 HB3 SER A 48 -16.492 -10.965 -1.038 1.00 61.45 H new ATOM 0 HG SER A 48 -14.524 -11.937 -1.737 1.00 5.20 H new ATOM 749 N ASN A 49 -14.665 -8.239 -3.680 1.00 45.14 N ATOM 750 CA ASN A 49 -14.156 -7.616 -4.916 1.00 45.15 C ATOM 751 C ASN A 49 -15.075 -6.611 -5.639 1.00 33.42 C ATOM 752 O ASN A 49 -14.702 -6.065 -6.677 1.00 1.01 O ATOM 753 CB ASN A 49 -13.580 -8.673 -5.874 1.00 43.13 C ATOM 754 CG ASN A 49 -12.576 -8.041 -6.844 1.00 32.40 C ATOM 755 OD1 ASN A 49 -12.796 -7.946 -8.050 1.00 10.30 O ATOM 756 ND2 ASN A 49 -11.461 -7.555 -6.326 1.00 32.22 N ATOM 0 H ASN A 49 -13.943 -8.233 -2.959 1.00 45.14 H new ATOM 0 HA ASN A 49 -13.355 -6.969 -4.558 1.00 45.15 H new ATOM 0 HB2 ASN A 49 -13.092 -9.461 -5.301 1.00 43.13 H new ATOM 0 HB3 ASN A 49 -14.389 -9.141 -6.435 1.00 43.13 H new ATOM 0 HD21 ASN A 49 -10.776 -7.097 -6.928 1.00 32.22 H new ATOM 0 HD22 ASN A 49 -11.286 -7.638 -5.325 1.00 32.22 H new ATOM 763 N GLY A 50 -16.236 -6.295 -5.073 1.00 12.23 N ATOM 764 CA GLY A 50 -17.330 -5.640 -5.771 1.00 12.00 C ATOM 765 C GLY A 50 -17.002 -4.232 -6.236 1.00 2.21 C ATOM 766 O GLY A 50 -17.177 -3.904 -7.414 1.00 30.30 O ATOM 0 H GLY A 50 -16.444 -6.493 -4.094 1.00 12.23 H new ATOM 0 HA2 GLY A 50 -17.610 -6.242 -6.635 1.00 12.00 H new ATOM 0 HA3 GLY A 50 -18.198 -5.603 -5.113 1.00 12.00 H new ATOM 770 N VAL A 51 -16.539 -3.393 -5.315 1.00 3.20 N ATOM 771 CA VAL A 51 -16.505 -1.944 -5.492 1.00 54.14 C ATOM 772 C VAL A 51 -15.109 -1.406 -5.136 1.00 2.14 C ATOM 773 O VAL A 51 -14.920 -0.837 -4.050 1.00 14.13 O ATOM 774 CB VAL A 51 -17.680 -1.306 -4.712 1.00 10.20 C ATOM 775 CG1 VAL A 51 -17.747 0.214 -4.930 1.00 12.02 C ATOM 776 CG2 VAL A 51 -19.027 -1.909 -5.139 1.00 13.00 C ATOM 0 H VAL A 51 -16.173 -3.703 -4.415 1.00 3.20 H new ATOM 0 HA VAL A 51 -16.658 -1.664 -6.534 1.00 54.14 H new ATOM 0 HB VAL A 51 -17.496 -1.516 -3.658 1.00 10.20 H new ATOM 0 HG11 VAL A 51 -18.584 0.626 -4.367 1.00 12.02 H new ATOM 0 HG12 VAL A 51 -16.819 0.672 -4.588 1.00 12.02 H new ATOM 0 HG13 VAL A 51 -17.885 0.424 -5.991 1.00 12.02 H new ATOM 0 HG21 VAL A 51 -19.832 -1.440 -4.573 1.00 13.00 H new ATOM 0 HG22 VAL A 51 -19.183 -1.734 -6.204 1.00 13.00 H new ATOM 0 HG23 VAL A 51 -19.024 -2.981 -4.944 1.00 13.00 H new ATOM 786 N PRO A 52 -14.116 -1.580 -6.029 1.00 31.43 N ATOM 787 CA PRO A 52 -12.747 -1.181 -5.757 1.00 30.43 C ATOM 788 C PRO A 52 -12.545 0.330 -5.875 1.00 50.02 C ATOM 789 O PRO A 52 -13.464 1.088 -6.205 1.00 73.35 O ATOM 790 CB PRO A 52 -11.878 -1.989 -6.728 1.00 5.32 C ATOM 791 CG PRO A 52 -12.800 -2.191 -7.926 1.00 42.11 C ATOM 792 CD PRO A 52 -14.198 -2.263 -7.313 1.00 50.01 C ATOM 0 HA PRO A 52 -12.467 -1.395 -4.726 1.00 30.43 H new ATOM 0 HB2 PRO A 52 -10.971 -1.450 -7.003 1.00 5.32 H new ATOM 0 HB3 PRO A 52 -11.565 -2.939 -6.295 1.00 5.32 H new ATOM 0 HG2 PRO A 52 -12.718 -1.368 -8.635 1.00 42.11 H new ATOM 0 HG3 PRO A 52 -12.555 -3.104 -8.468 1.00 42.11 H new ATOM 0 HD2 PRO A 52 -14.932 -1.785 -7.962 1.00 50.01 H new ATOM 0 HD3 PRO A 52 -14.513 -3.298 -7.183 1.00 50.01 H new ATOM 800 N PHE A 53 -11.327 0.778 -5.579 1.00 44.42 N ATOM 801 CA PHE A 53 -10.953 2.176 -5.501 1.00 72.13 C ATOM 802 C PHE A 53 -9.645 2.385 -6.257 1.00 2.44 C ATOM 803 O PHE A 53 -8.727 1.573 -6.145 1.00 62.43 O ATOM 804 CB PHE A 53 -10.802 2.556 -4.023 1.00 23.20 C ATOM 805 CG PHE A 53 -10.983 4.033 -3.760 1.00 65.52 C ATOM 806 CD1 PHE A 53 -12.271 4.592 -3.842 1.00 32.51 C ATOM 807 CD2 PHE A 53 -9.892 4.839 -3.387 1.00 61.22 C ATOM 808 CE1 PHE A 53 -12.466 5.958 -3.588 1.00 52.12 C ATOM 809 CE2 PHE A 53 -10.094 6.201 -3.116 1.00 25.32 C ATOM 810 CZ PHE A 53 -11.374 6.770 -3.241 1.00 32.40 C ATOM 0 H PHE A 53 -10.549 0.149 -5.381 1.00 44.42 H new ATOM 0 HA PHE A 53 -11.716 2.810 -5.954 1.00 72.13 H new ATOM 0 HB2 PHE A 53 -11.532 1.998 -3.436 1.00 23.20 H new ATOM 0 HB3 PHE A 53 -9.814 2.251 -3.677 1.00 23.20 H new ATOM 0 HD1 PHE A 53 -13.113 3.967 -4.101 1.00 32.51 H new ATOM 0 HD2 PHE A 53 -8.903 4.411 -3.310 1.00 61.22 H new ATOM 0 HE1 PHE A 53 -13.455 6.385 -3.659 1.00 52.12 H new ATOM 0 HE2 PHE A 53 -9.261 6.816 -2.809 1.00 25.32 H new ATOM 0 HZ PHE A 53 -11.517 7.827 -3.071 1.00 32.40 H new ATOM 820 N ARG A 54 -9.554 3.484 -7.005 1.00 51.35 N ATOM 821 CA ARG A 54 -8.364 3.942 -7.714 1.00 2.12 C ATOM 822 C ARG A 54 -8.273 5.467 -7.610 1.00 34.32 C ATOM 823 O ARG A 54 -9.253 6.170 -7.889 1.00 74.55 O ATOM 824 CB ARG A 54 -8.375 3.446 -9.177 1.00 5.32 C ATOM 825 CG ARG A 54 -9.624 3.789 -10.009 1.00 43.34 C ATOM 826 CD ARG A 54 -10.582 2.599 -10.129 1.00 32.22 C ATOM 827 NE ARG A 54 -11.976 2.943 -9.795 1.00 51.31 N ATOM 828 CZ ARG A 54 -12.782 3.831 -10.389 1.00 22.14 C ATOM 829 NH1 ARG A 54 -12.425 4.463 -11.499 1.00 31.10 N ATOM 830 NH2 ARG A 54 -13.971 4.093 -9.861 1.00 21.53 N ATOM 0 H ARG A 54 -10.349 4.109 -7.138 1.00 51.35 H new ATOM 0 HA ARG A 54 -7.471 3.520 -7.254 1.00 2.12 H new ATOM 0 HB2 ARG A 54 -7.503 3.859 -9.684 1.00 5.32 H new ATOM 0 HB3 ARG A 54 -8.256 2.363 -9.171 1.00 5.32 H new ATOM 0 HG2 ARG A 54 -10.146 4.629 -9.550 1.00 43.34 H new ATOM 0 HG3 ARG A 54 -9.319 4.110 -11.005 1.00 43.34 H new ATOM 0 HD2 ARG A 54 -10.544 2.211 -11.147 1.00 32.22 H new ATOM 0 HD3 ARG A 54 -10.243 1.800 -9.470 1.00 32.22 H new ATOM 0 HE ARG A 54 -12.380 2.437 -9.007 1.00 51.31 H new ATOM 0 HH11 ARG A 54 -11.516 4.277 -11.922 1.00 31.10 H new ATOM 0 HH12 ARG A 54 -13.060 5.135 -11.930 1.00 31.10 H new ATOM 0 HH21 ARG A 54 -14.266 3.619 -9.007 1.00 21.53 H new ATOM 0 HH22 ARG A 54 -14.590 4.769 -10.309 1.00 21.53 H new ATOM 844 N GLY A 55 -7.116 5.982 -7.203 1.00 41.11 N ATOM 845 CA GLY A 55 -6.851 7.420 -7.088 1.00 62.53 C ATOM 846 C GLY A 55 -5.507 7.783 -7.696 1.00 30.32 C ATOM 847 O GLY A 55 -5.241 7.444 -8.844 1.00 42.32 O ATOM 0 H GLY A 55 -6.319 5.404 -6.938 1.00 41.11 H new ATOM 0 HA2 GLY A 55 -7.642 7.979 -7.588 1.00 62.53 H new ATOM 0 HA3 GLY A 55 -6.869 7.713 -6.038 1.00 62.53 H new ATOM 851 N THR A 56 -4.627 8.406 -6.920 1.00 50.32 N ATOM 852 CA THR A 56 -3.203 8.479 -7.195 1.00 3.42 C ATOM 853 C THR A 56 -2.461 8.230 -5.879 1.00 51.34 C ATOM 854 O THR A 56 -2.990 8.493 -4.795 1.00 33.13 O ATOM 855 CB THR A 56 -2.826 9.829 -7.840 1.00 24.42 C ATOM 856 OG1 THR A 56 -3.382 10.948 -7.170 1.00 61.25 O ATOM 857 CG2 THR A 56 -3.217 9.886 -9.318 1.00 31.53 C ATOM 0 H THR A 56 -4.895 8.886 -6.061 1.00 50.32 H new ATOM 0 HA THR A 56 -2.914 7.718 -7.920 1.00 3.42 H new ATOM 0 HB THR A 56 -1.741 9.888 -7.748 1.00 24.42 H new ATOM 0 HG1 THR A 56 -3.106 11.771 -7.624 1.00 61.25 H new ATOM 0 HG21 THR A 56 -2.933 10.853 -9.732 1.00 31.53 H new ATOM 0 HG22 THR A 56 -2.702 9.094 -9.861 1.00 31.53 H new ATOM 0 HG23 THR A 56 -4.294 9.752 -9.415 1.00 31.53 H new ATOM 865 N TYR A 57 -1.257 7.671 -5.966 1.00 42.23 N ATOM 866 CA TYR A 57 -0.321 7.629 -4.857 1.00 72.54 C ATOM 867 C TYR A 57 0.691 8.758 -5.060 1.00 50.42 C ATOM 868 O TYR A 57 0.923 9.203 -6.190 1.00 65.35 O ATOM 869 CB TYR A 57 0.339 6.238 -4.770 1.00 5.32 C ATOM 870 CG TYR A 57 1.568 6.045 -5.639 1.00 70.21 C ATOM 871 CD1 TYR A 57 2.818 6.411 -5.113 1.00 2.43 C ATOM 872 CD2 TYR A 57 1.484 5.538 -6.951 1.00 14.44 C ATOM 873 CE1 TYR A 57 3.981 6.306 -5.891 1.00 70.34 C ATOM 874 CE2 TYR A 57 2.648 5.438 -7.739 1.00 54.31 C ATOM 875 CZ TYR A 57 3.904 5.827 -7.214 1.00 64.11 C ATOM 876 OH TYR A 57 5.046 5.758 -7.953 1.00 25.51 O ATOM 0 H TYR A 57 -0.905 7.232 -6.817 1.00 42.23 H new ATOM 0 HA TYR A 57 -0.826 7.782 -3.903 1.00 72.54 H new ATOM 0 HB2 TYR A 57 0.615 6.050 -3.733 1.00 5.32 H new ATOM 0 HB3 TYR A 57 -0.401 5.486 -5.044 1.00 5.32 H new ATOM 0 HD1 TYR A 57 2.885 6.777 -4.099 1.00 2.43 H new ATOM 0 HD2 TYR A 57 0.530 5.227 -7.351 1.00 14.44 H new ATOM 0 HE1 TYR A 57 4.936 6.593 -5.476 1.00 70.34 H new ATOM 0 HE2 TYR A 57 2.582 5.062 -8.749 1.00 54.31 H new ATOM 0 HH TYR A 57 4.830 5.464 -8.863 1.00 25.51 H new ATOM 886 N ILE A 58 1.340 9.180 -3.982 1.00 51.33 N ATOM 887 CA ILE A 58 2.496 10.075 -4.000 1.00 21.30 C ATOM 888 C ILE A 58 3.526 9.460 -3.053 1.00 33.51 C ATOM 889 O ILE A 58 3.146 8.884 -2.034 1.00 52.03 O ATOM 890 CB ILE A 58 2.091 11.525 -3.614 1.00 52.21 C ATOM 891 CG1 ILE A 58 1.134 12.108 -4.685 1.00 1.33 C ATOM 892 CG2 ILE A 58 3.328 12.430 -3.429 1.00 53.12 C ATOM 893 CD1 ILE A 58 0.777 13.589 -4.512 1.00 54.31 C ATOM 0 H ILE A 58 1.069 8.901 -3.039 1.00 51.33 H new ATOM 0 HA ILE A 58 2.924 10.167 -4.998 1.00 21.30 H new ATOM 0 HB ILE A 58 1.572 11.491 -2.656 1.00 52.21 H new ATOM 0 HG12 ILE A 58 1.589 11.974 -5.666 1.00 1.33 H new ATOM 0 HG13 ILE A 58 0.212 11.526 -4.679 1.00 1.33 H new ATOM 0 HG21 ILE A 58 3.006 13.436 -3.160 1.00 53.12 H new ATOM 0 HG22 ILE A 58 3.959 12.027 -2.637 1.00 53.12 H new ATOM 0 HG23 ILE A 58 3.894 12.467 -4.360 1.00 53.12 H new ATOM 0 HD11 ILE A 58 0.104 13.897 -5.312 1.00 54.31 H new ATOM 0 HD12 ILE A 58 0.287 13.735 -3.549 1.00 54.31 H new ATOM 0 HD13 ILE A 58 1.686 14.189 -4.552 1.00 54.31 H new ATOM 905 N ILE A 59 4.812 9.585 -3.366 1.00 44.32 N ATOM 906 CA ILE A 59 5.934 9.267 -2.491 1.00 60.15 C ATOM 907 C ILE A 59 6.844 10.495 -2.439 1.00 23.20 C ATOM 908 O ILE A 59 6.968 11.229 -3.427 1.00 64.11 O ATOM 909 CB ILE A 59 6.638 7.971 -2.975 1.00 10.44 C ATOM 910 CG1 ILE A 59 5.732 6.779 -2.617 1.00 1.41 C ATOM 911 CG2 ILE A 59 8.035 7.797 -2.359 1.00 63.54 C ATOM 912 CD1 ILE A 59 6.287 5.392 -2.895 1.00 22.15 C ATOM 0 H ILE A 59 5.113 9.926 -4.279 1.00 44.32 H new ATOM 0 HA ILE A 59 5.610 9.051 -1.473 1.00 60.15 H new ATOM 0 HB ILE A 59 6.790 8.031 -4.053 1.00 10.44 H new ATOM 0 HG12 ILE A 59 5.490 6.842 -1.556 1.00 1.41 H new ATOM 0 HG13 ILE A 59 4.796 6.887 -3.165 1.00 1.41 H new ATOM 0 HG21 ILE A 59 8.484 6.876 -2.730 1.00 63.54 H new ATOM 0 HG22 ILE A 59 8.663 8.644 -2.636 1.00 63.54 H new ATOM 0 HG23 ILE A 59 7.950 7.748 -1.273 1.00 63.54 H new ATOM 0 HD11 ILE A 59 5.554 4.641 -2.600 1.00 22.15 H new ATOM 0 HD12 ILE A 59 6.500 5.292 -3.959 1.00 22.15 H new ATOM 0 HD13 ILE A 59 7.205 5.247 -2.326 1.00 22.15 H new ATOM 924 N SER A 60 7.453 10.724 -1.276 1.00 22.14 N ATOM 925 CA SER A 60 8.441 11.771 -1.062 1.00 14.03 C ATOM 926 C SER A 60 9.834 11.285 -1.487 1.00 41.15 C ATOM 927 O SER A 60 10.097 10.083 -1.519 1.00 72.23 O ATOM 928 CB SER A 60 8.464 12.165 0.419 1.00 14.20 C ATOM 929 OG SER A 60 7.177 12.118 1.012 1.00 24.01 O ATOM 0 H SER A 60 7.266 10.171 -0.439 1.00 22.14 H new ATOM 0 HA SER A 60 8.170 12.637 -1.665 1.00 14.03 H new ATOM 0 HB2 SER A 60 9.134 11.497 0.959 1.00 14.20 H new ATOM 0 HB3 SER A 60 8.870 13.172 0.518 1.00 14.20 H new ATOM 0 HG SER A 60 7.212 12.524 1.903 1.00 24.01 H new ATOM 935 N LEU A 61 10.758 12.203 -1.786 1.00 33.20 N ATOM 936 CA LEU A 61 12.104 11.834 -2.232 1.00 14.13 C ATOM 937 C LEU A 61 13.022 11.541 -1.047 1.00 41.44 C ATOM 938 O LEU A 61 13.514 10.416 -0.930 1.00 31.13 O ATOM 939 CB LEU A 61 12.703 12.911 -3.148 1.00 41.02 C ATOM 940 CG LEU A 61 12.427 12.621 -4.634 1.00 64.22 C ATOM 941 CD1 LEU A 61 10.940 12.757 -4.981 1.00 1.24 C ATOM 942 CD2 LEU A 61 13.260 13.554 -5.515 1.00 4.13 C ATOM 0 H LEU A 61 10.598 13.209 -1.727 1.00 33.20 H new ATOM 0 HA LEU A 61 12.017 10.917 -2.815 1.00 14.13 H new ATOM 0 HB2 LEU A 61 12.287 13.883 -2.885 1.00 41.02 H new ATOM 0 HB3 LEU A 61 13.779 12.970 -2.984 1.00 41.02 H new ATOM 0 HG LEU A 61 12.714 11.587 -4.824 1.00 64.22 H new ATOM 0 HD11 LEU A 61 10.792 12.543 -6.040 1.00 1.24 H new ATOM 0 HD12 LEU A 61 10.361 12.052 -4.384 1.00 1.24 H new ATOM 0 HD13 LEU A 61 10.608 13.773 -4.766 1.00 1.24 H new ATOM 0 HD21 LEU A 61 13.057 13.341 -6.565 1.00 4.13 H new ATOM 0 HD22 LEU A 61 12.998 14.590 -5.298 1.00 4.13 H new ATOM 0 HD23 LEU A 61 14.319 13.398 -5.311 1.00 4.13 H new ATOM 954 N ASP A 62 13.282 12.543 -0.196 1.00 63.42 N ATOM 955 CA ASP A 62 14.165 12.389 0.967 1.00 52.13 C ATOM 956 C ASP A 62 13.570 11.345 1.904 1.00 31.01 C ATOM 957 O ASP A 62 14.245 10.421 2.356 1.00 75.12 O ATOM 958 CB ASP A 62 14.312 13.669 1.818 1.00 32.02 C ATOM 959 CG ASP A 62 14.627 14.962 1.087 1.00 63.21 C ATOM 960 OD1 ASP A 62 13.729 15.456 0.360 1.00 44.21 O ATOM 961 OD2 ASP A 62 15.683 15.568 1.362 1.00 43.20 O ATOM 0 H ASP A 62 12.888 13.479 -0.294 1.00 63.42 H new ATOM 0 HA ASP A 62 15.140 12.119 0.561 1.00 52.13 H new ATOM 0 HB2 ASP A 62 13.385 13.813 2.373 1.00 32.02 H new ATOM 0 HB3 ASP A 62 15.099 13.497 2.552 1.00 32.02 H new ATOM 966 N GLU A 63 12.298 11.560 2.227 1.00 20.05 N ATOM 967 CA GLU A 63 11.546 10.828 3.219 1.00 21.12 C ATOM 968 C GLU A 63 10.978 9.576 2.577 1.00 24.23 C ATOM 969 O GLU A 63 10.643 9.563 1.393 1.00 22.04 O ATOM 970 CB GLU A 63 10.411 11.731 3.735 1.00 13.13 C ATOM 971 CG GLU A 63 10.821 12.451 5.022 1.00 33.41 C ATOM 972 CD GLU A 63 10.937 11.453 6.165 1.00 15.34 C ATOM 973 OE1 GLU A 63 9.908 10.832 6.504 1.00 21.33 O ATOM 974 OE2 GLU A 63 12.059 11.200 6.656 1.00 51.23 O ATOM 0 H GLU A 63 11.744 12.288 1.776 1.00 20.05 H new ATOM 0 HA GLU A 63 12.183 10.539 4.055 1.00 21.12 H new ATOM 0 HB2 GLU A 63 10.150 12.464 2.972 1.00 13.13 H new ATOM 0 HB3 GLU A 63 9.520 11.131 3.919 1.00 13.13 H new ATOM 0 HG2 GLU A 63 11.774 12.960 4.875 1.00 33.41 H new ATOM 0 HG3 GLU A 63 10.085 13.216 5.270 1.00 33.41 H new ATOM 981 N LYS A 64 10.815 8.531 3.381 1.00 42.41 N ATOM 982 CA LYS A 64 10.213 7.286 2.936 1.00 4.32 C ATOM 983 C LYS A 64 8.798 7.290 3.485 1.00 54.23 C ATOM 984 O LYS A 64 8.497 6.696 4.521 1.00 32.45 O ATOM 985 CB LYS A 64 11.091 6.086 3.317 1.00 64.03 C ATOM 986 CG LYS A 64 12.521 6.236 2.768 1.00 23.45 C ATOM 987 CD LYS A 64 13.523 6.671 3.851 1.00 74.41 C ATOM 988 CE LYS A 64 14.868 7.147 3.288 1.00 24.45 C ATOM 989 NZ LYS A 64 15.401 6.291 2.210 1.00 42.34 N ATOM 0 H LYS A 64 11.098 8.527 4.361 1.00 42.41 H new ATOM 0 HA LYS A 64 10.149 7.194 1.852 1.00 4.32 H new ATOM 0 HB2 LYS A 64 11.125 5.989 4.402 1.00 64.03 H new ATOM 0 HB3 LYS A 64 10.645 5.170 2.929 1.00 64.03 H new ATOM 0 HG2 LYS A 64 12.844 5.288 2.339 1.00 23.45 H new ATOM 0 HG3 LYS A 64 12.522 6.968 1.961 1.00 23.45 H new ATOM 0 HD2 LYS A 64 13.081 7.474 4.441 1.00 74.41 H new ATOM 0 HD3 LYS A 64 13.698 5.836 4.529 1.00 74.41 H new ATOM 0 HE2 LYS A 64 14.753 8.163 2.909 1.00 24.45 H new ATOM 0 HE3 LYS A 64 15.596 7.189 4.098 1.00 24.45 H new ATOM 0 HZ1 LYS A 64 16.348 6.624 1.938 1.00 42.34 H new ATOM 0 HZ2 LYS A 64 15.463 5.308 2.545 1.00 42.34 H new ATOM 0 HZ3 LYS A 64 14.768 6.336 1.386 1.00 42.34 H new ATOM 1003 N LEU A 65 7.938 8.030 2.796 1.00 75.14 N ATOM 1004 CA LEU A 65 6.574 8.364 3.178 1.00 43.41 C ATOM 1005 C LEU A 65 5.758 8.188 1.900 1.00 75.14 C ATOM 1006 O LEU A 65 6.212 8.617 0.835 1.00 51.51 O ATOM 1007 CB LEU A 65 6.589 9.821 3.694 1.00 34.13 C ATOM 1008 CG LEU A 65 5.377 10.360 4.477 1.00 75.02 C ATOM 1009 CD1 LEU A 65 4.058 10.344 3.707 1.00 24.43 C ATOM 1010 CD2 LEU A 65 5.211 9.624 5.807 1.00 24.02 C ATOM 0 H LEU A 65 8.193 8.439 1.897 1.00 75.14 H new ATOM 0 HA LEU A 65 6.148 7.747 3.969 1.00 43.41 H new ATOM 0 HB2 LEU A 65 7.466 9.933 4.332 1.00 34.13 H new ATOM 0 HB3 LEU A 65 6.737 10.471 2.832 1.00 34.13 H new ATOM 0 HG LEU A 65 5.608 11.410 4.655 1.00 75.02 H new ATOM 0 HD11 LEU A 65 3.263 10.741 4.338 1.00 24.43 H new ATOM 0 HD12 LEU A 65 4.152 10.959 2.812 1.00 24.43 H new ATOM 0 HD13 LEU A 65 3.816 9.320 3.420 1.00 24.43 H new ATOM 0 HD21 LEU A 65 4.348 10.024 6.339 1.00 24.02 H new ATOM 0 HD22 LEU A 65 5.060 8.561 5.618 1.00 24.02 H new ATOM 0 HD23 LEU A 65 6.107 9.761 6.413 1.00 24.02 H new ATOM 1022 N ILE A 66 4.604 7.523 1.978 1.00 62.23 N ATOM 1023 CA ILE A 66 3.666 7.380 0.867 1.00 42.01 C ATOM 1024 C ILE A 66 2.366 8.056 1.273 1.00 14.31 C ATOM 1025 O ILE A 66 1.980 7.975 2.439 1.00 51.23 O ATOM 1026 CB ILE A 66 3.454 5.892 0.493 1.00 41.14 C ATOM 1027 CG1 ILE A 66 2.598 5.767 -0.782 1.00 71.44 C ATOM 1028 CG2 ILE A 66 2.877 5.066 1.654 1.00 55.43 C ATOM 1029 CD1 ILE A 66 2.503 4.346 -1.330 1.00 52.01 C ATOM 0 H ILE A 66 4.291 7.061 2.832 1.00 62.23 H new ATOM 0 HA ILE A 66 4.065 7.857 -0.029 1.00 42.01 H new ATOM 0 HB ILE A 66 4.436 5.469 0.284 1.00 41.14 H new ATOM 0 HG12 ILE A 66 1.593 6.131 -0.569 1.00 71.44 H new ATOM 0 HG13 ILE A 66 3.016 6.415 -1.552 1.00 71.44 H new ATOM 0 HG21 ILE A 66 2.749 4.031 1.336 1.00 55.43 H new ATOM 0 HG22 ILE A 66 3.561 5.103 2.502 1.00 55.43 H new ATOM 0 HG23 ILE A 66 1.911 5.477 1.948 1.00 55.43 H new ATOM 0 HD11 ILE A 66 1.884 4.343 -2.227 1.00 52.01 H new ATOM 0 HD12 ILE A 66 3.501 3.984 -1.577 1.00 52.01 H new ATOM 0 HD13 ILE A 66 2.056 3.695 -0.578 1.00 52.01 H new ATOM 1041 N LYS A 67 1.650 8.652 0.324 1.00 53.01 N ATOM 1042 CA LYS A 67 0.288 9.130 0.508 1.00 21.30 C ATOM 1043 C LYS A 67 -0.597 8.497 -0.552 1.00 64.21 C ATOM 1044 O LYS A 67 -0.120 8.253 -1.663 1.00 44.01 O ATOM 1045 CB LYS A 67 0.237 10.662 0.470 1.00 53.44 C ATOM 1046 CG LYS A 67 1.223 11.314 1.459 1.00 52.43 C ATOM 1047 CD LYS A 67 0.715 12.677 1.945 1.00 33.34 C ATOM 1048 CE LYS A 67 1.648 13.334 2.969 1.00 55.34 C ATOM 1049 NZ LYS A 67 1.021 14.533 3.576 1.00 11.31 N ATOM 0 H LYS A 67 2.011 8.819 -0.615 1.00 53.01 H new ATOM 0 HA LYS A 67 -0.082 8.836 1.490 1.00 21.30 H new ATOM 0 HB2 LYS A 67 0.462 11.004 -0.540 1.00 53.44 H new ATOM 0 HB3 LYS A 67 -0.775 10.994 0.701 1.00 53.44 H new ATOM 0 HG2 LYS A 67 1.372 10.654 2.314 1.00 52.43 H new ATOM 0 HG3 LYS A 67 2.194 11.437 0.979 1.00 52.43 H new ATOM 0 HD2 LYS A 67 0.599 13.342 1.089 1.00 33.34 H new ATOM 0 HD3 LYS A 67 -0.273 12.553 2.389 1.00 33.34 H new ATOM 0 HE2 LYS A 67 1.897 12.616 3.750 1.00 55.34 H new ATOM 0 HE3 LYS A 67 2.583 13.615 2.485 1.00 55.34 H new ATOM 0 HZ1 LYS A 67 1.676 14.956 4.265 1.00 11.31 H new ATOM 0 HZ2 LYS A 67 0.806 15.227 2.832 1.00 11.31 H new ATOM 0 HZ3 LYS A 67 0.141 14.258 4.058 1.00 11.31 H new ATOM 1063 N LEU A 68 -1.861 8.243 -0.224 1.00 73.31 N ATOM 1064 CA LEU A 68 -2.887 7.786 -1.146 1.00 22.14 C ATOM 1065 C LEU A 68 -3.967 8.864 -1.176 1.00 12.00 C ATOM 1066 O LEU A 68 -4.403 9.345 -0.124 1.00 15.00 O ATOM 1067 CB LEU A 68 -3.507 6.462 -0.669 1.00 24.13 C ATOM 1068 CG LEU A 68 -2.657 5.181 -0.707 1.00 40.31 C ATOM 1069 CD1 LEU A 68 -2.078 4.954 -2.098 1.00 34.50 C ATOM 1070 CD2 LEU A 68 -1.540 5.023 0.338 1.00 32.54 C ATOM 0 H LEU A 68 -2.208 8.355 0.729 1.00 73.31 H new ATOM 0 HA LEU A 68 -2.455 7.616 -2.132 1.00 22.14 H new ATOM 0 HB2 LEU A 68 -3.838 6.606 0.359 1.00 24.13 H new ATOM 0 HB3 LEU A 68 -4.399 6.282 -1.269 1.00 24.13 H new ATOM 0 HG LEU A 68 -3.385 4.417 -0.433 1.00 40.31 H new ATOM 0 HD11 LEU A 68 -1.481 4.042 -2.099 1.00 34.50 H new ATOM 0 HD12 LEU A 68 -2.890 4.857 -2.819 1.00 34.50 H new ATOM 0 HD13 LEU A 68 -1.448 5.800 -2.373 1.00 34.50 H new ATOM 0 HD21 LEU A 68 -1.030 4.072 0.184 1.00 32.54 H new ATOM 0 HD22 LEU A 68 -0.825 5.839 0.233 1.00 32.54 H new ATOM 0 HD23 LEU A 68 -1.972 5.046 1.339 1.00 32.54 H new ATOM 1082 N TYR A 69 -4.386 9.233 -2.384 1.00 33.53 N ATOM 1083 CA TYR A 69 -5.392 10.249 -2.650 1.00 71.54 C ATOM 1084 C TYR A 69 -6.681 9.570 -3.134 1.00 21.13 C ATOM 1085 O TYR A 69 -6.639 8.463 -3.688 1.00 54.41 O ATOM 1086 CB TYR A 69 -4.847 11.226 -3.709 1.00 40.45 C ATOM 1087 CG TYR A 69 -3.835 12.264 -3.235 1.00 52.23 C ATOM 1088 CD1 TYR A 69 -2.620 11.905 -2.614 1.00 41.31 C ATOM 1089 CD2 TYR A 69 -4.121 13.626 -3.437 1.00 11.44 C ATOM 1090 CE1 TYR A 69 -1.748 12.905 -2.139 1.00 40.35 C ATOM 1091 CE2 TYR A 69 -3.266 14.630 -2.955 1.00 21.10 C ATOM 1092 CZ TYR A 69 -2.074 14.273 -2.293 1.00 44.13 C ATOM 1093 OH TYR A 69 -1.261 15.237 -1.774 1.00 35.13 O ATOM 0 H TYR A 69 -4.017 8.813 -3.237 1.00 33.53 H new ATOM 0 HA TYR A 69 -5.620 10.809 -1.743 1.00 71.54 H new ATOM 0 HB2 TYR A 69 -4.385 10.641 -4.505 1.00 40.45 H new ATOM 0 HB3 TYR A 69 -5.692 11.754 -4.151 1.00 40.45 H new ATOM 0 HD1 TYR A 69 -2.358 10.863 -2.503 1.00 41.31 H new ATOM 0 HD2 TYR A 69 -5.016 13.905 -3.973 1.00 11.44 H new ATOM 0 HE1 TYR A 69 -0.824 12.625 -1.654 1.00 40.35 H new ATOM 0 HE2 TYR A 69 -3.520 15.671 -3.091 1.00 21.10 H new ATOM 0 HH TYR A 69 -1.634 16.121 -1.973 1.00 35.13 H new ATOM 1103 N ASP A 70 -7.826 10.235 -2.961 1.00 62.53 N ATOM 1104 CA ASP A 70 -9.116 9.792 -3.509 1.00 64.52 C ATOM 1105 C ASP A 70 -9.241 10.213 -4.976 1.00 5.14 C ATOM 1106 O ASP A 70 -8.374 10.898 -5.516 1.00 3.04 O ATOM 1107 CB ASP A 70 -10.302 10.392 -2.729 1.00 62.43 C ATOM 1108 CG ASP A 70 -10.795 9.627 -1.502 1.00 71.14 C ATOM 1109 OD1 ASP A 70 -10.083 8.752 -0.965 1.00 4.04 O ATOM 1110 OD2 ASP A 70 -12.006 9.783 -1.225 1.00 14.24 O ATOM 0 H ASP A 70 -7.887 11.105 -2.432 1.00 62.53 H new ATOM 0 HA ASP A 70 -9.146 8.706 -3.420 1.00 64.52 H new ATOM 0 HB2 ASP A 70 -10.022 11.396 -2.410 1.00 62.43 H new ATOM 0 HB3 ASP A 70 -11.139 10.499 -3.419 1.00 62.43 H new ATOM 1115 N LYS A 71 -10.369 9.883 -5.618 1.00 72.41 N ATOM 1116 CA LYS A 71 -10.726 10.444 -6.930 1.00 45.44 C ATOM 1117 C LYS A 71 -10.862 11.960 -6.814 1.00 24.23 C ATOM 1118 O LYS A 71 -10.468 12.705 -7.708 1.00 21.54 O ATOM 1119 CB LYS A 71 -12.033 9.897 -7.544 1.00 62.13 C ATOM 1120 CG LYS A 71 -12.524 8.507 -7.121 1.00 2.42 C ATOM 1121 CD LYS A 71 -13.397 8.501 -5.854 1.00 74.34 C ATOM 1122 CE LYS A 71 -14.704 9.299 -6.006 1.00 70.41 C ATOM 1123 NZ LYS A 71 -15.528 9.268 -4.779 1.00 72.22 N ATOM 0 H LYS A 71 -11.055 9.226 -5.248 1.00 72.41 H new ATOM 0 HA LYS A 71 -9.917 10.143 -7.596 1.00 45.44 H new ATOM 0 HB2 LYS A 71 -12.827 10.610 -7.319 1.00 62.13 H new ATOM 0 HB3 LYS A 71 -11.910 9.888 -8.627 1.00 62.13 H new ATOM 0 HG2 LYS A 71 -13.093 8.070 -7.942 1.00 2.42 H new ATOM 0 HG3 LYS A 71 -11.659 7.864 -6.955 1.00 2.42 H new ATOM 0 HD2 LYS A 71 -13.638 7.470 -5.593 1.00 74.34 H new ATOM 0 HD3 LYS A 71 -12.823 8.914 -5.025 1.00 74.34 H new ATOM 0 HE2 LYS A 71 -14.468 10.333 -6.256 1.00 70.41 H new ATOM 0 HE3 LYS A 71 -15.280 8.893 -6.838 1.00 70.41 H new ATOM 0 HZ1 LYS A 71 -16.397 9.819 -4.930 1.00 72.22 H new ATOM 0 HZ2 LYS A 71 -15.777 8.284 -4.553 1.00 72.22 H new ATOM 0 HZ3 LYS A 71 -14.991 9.679 -3.989 1.00 72.22 H new ATOM 1137 N GLU A 72 -11.398 12.408 -5.677 1.00 4.32 N ATOM 1138 CA GLU A 72 -11.498 13.807 -5.301 1.00 22.21 C ATOM 1139 C GLU A 72 -10.131 14.494 -5.223 1.00 52.43 C ATOM 1140 O GLU A 72 -10.081 15.722 -5.238 1.00 15.20 O ATOM 1141 CB GLU A 72 -12.248 13.907 -3.970 1.00 15.40 C ATOM 1142 CG GLU A 72 -13.741 14.170 -4.173 1.00 64.13 C ATOM 1143 CD GLU A 72 -13.992 15.626 -4.562 1.00 11.10 C ATOM 1144 OE1 GLU A 72 -14.112 16.460 -3.630 1.00 31.30 O ATOM 1145 OE2 GLU A 72 -14.093 15.912 -5.776 1.00 71.52 O ATOM 0 H GLU A 72 -11.786 11.780 -4.973 1.00 4.32 H new ATOM 0 HA GLU A 72 -12.051 14.335 -6.078 1.00 22.21 H new ATOM 0 HB2 GLU A 72 -12.116 12.982 -3.409 1.00 15.40 H new ATOM 0 HB3 GLU A 72 -11.817 14.708 -3.370 1.00 15.40 H new ATOM 0 HG2 GLU A 72 -14.128 13.510 -4.950 1.00 64.13 H new ATOM 0 HG3 GLU A 72 -14.283 13.936 -3.257 1.00 64.13 H new ATOM 1152 N GLU A 73 -9.032 13.738 -5.231 1.00 31.24 N ATOM 1153 CA GLU A 73 -7.665 14.235 -5.259 1.00 72.31 C ATOM 1154 C GLU A 73 -7.344 15.122 -4.049 1.00 3.02 C ATOM 1155 O GLU A 73 -6.406 15.916 -4.077 1.00 11.13 O ATOM 1156 CB GLU A 73 -7.343 14.857 -6.631 1.00 63.54 C ATOM 1157 CG GLU A 73 -5.840 14.742 -6.922 1.00 70.45 C ATOM 1158 CD GLU A 73 -5.441 15.190 -8.325 1.00 64.41 C ATOM 1159 OE1 GLU A 73 -6.184 15.920 -9.016 1.00 10.44 O ATOM 1160 OE2 GLU A 73 -4.339 14.777 -8.757 1.00 50.31 O ATOM 0 H GLU A 73 -9.078 12.719 -5.217 1.00 31.24 H new ATOM 0 HA GLU A 73 -6.980 13.394 -5.150 1.00 72.31 H new ATOM 0 HB2 GLU A 73 -7.912 14.351 -7.411 1.00 63.54 H new ATOM 0 HB3 GLU A 73 -7.645 15.904 -6.644 1.00 63.54 H new ATOM 0 HG2 GLU A 73 -5.293 15.339 -6.192 1.00 70.45 H new ATOM 0 HG3 GLU A 73 -5.532 13.706 -6.782 1.00 70.45 H new ATOM 1167 N HIS A 74 -8.071 14.948 -2.945 1.00 53.03 N ATOM 1168 CA HIS A 74 -7.506 15.207 -1.635 1.00 64.52 C ATOM 1169 C HIS A 74 -6.659 13.991 -1.254 1.00 43.23 C ATOM 1170 O HIS A 74 -7.017 12.854 -1.579 1.00 74.53 O ATOM 1171 CB HIS A 74 -8.617 15.465 -0.610 1.00 52.21 C ATOM 1172 CG HIS A 74 -9.598 14.337 -0.412 1.00 44.05 C ATOM 1173 ND1 HIS A 74 -10.835 14.229 -1.005 1.00 24.24 N ATOM 1174 CD2 HIS A 74 -9.438 13.262 0.418 1.00 73.34 C ATOM 1175 CE1 HIS A 74 -11.389 13.077 -0.579 1.00 3.42 C ATOM 1176 NE2 HIS A 74 -10.595 12.488 0.329 1.00 51.14 N ATOM 0 H HIS A 74 -9.041 14.632 -2.938 1.00 53.03 H new ATOM 0 HA HIS A 74 -6.883 16.101 -1.651 1.00 64.52 H new ATOM 0 HB2 HIS A 74 -8.154 15.693 0.350 1.00 52.21 H new ATOM 0 HB3 HIS A 74 -9.170 16.353 -0.916 1.00 52.21 H new ATOM 0 HD2 HIS A 74 -8.574 13.051 1.030 1.00 73.34 H new ATOM 0 HE1 HIS A 74 -12.336 12.684 -0.919 1.00 3.42 H new ATOM 0 HE2 HIS A 74 -10.799 11.637 0.854 1.00 51.14 H new ATOM 1184 N CYS A 75 -5.566 14.228 -0.532 1.00 11.41 N ATOM 1185 CA CYS A 75 -4.885 13.201 0.238 1.00 13.43 C ATOM 1186 C CYS A 75 -5.847 12.746 1.336 1.00 11.10 C ATOM 1187 O CYS A 75 -6.450 13.607 1.989 1.00 60.22 O ATOM 1188 CB CYS A 75 -3.632 13.827 0.865 1.00 53.03 C ATOM 1189 SG CYS A 75 -2.859 12.669 2.017 1.00 2.40 S ATOM 0 H CYS A 75 -5.128 15.147 -0.467 1.00 11.41 H new ATOM 0 HA CYS A 75 -4.593 12.353 -0.381 1.00 13.43 H new ATOM 0 HB2 CYS A 75 -2.923 14.099 0.083 1.00 53.03 H new ATOM 0 HB3 CYS A 75 -3.899 14.746 1.387 1.00 53.03 H new ATOM 0 HG CYS A 75 -3.012 11.454 1.579 1.00 2.40 H new ATOM 1195 N THR A 76 -5.927 11.447 1.617 1.00 35.31 N ATOM 1196 CA THR A 76 -6.574 10.957 2.824 1.00 3.42 C ATOM 1197 C THR A 76 -5.488 10.303 3.667 1.00 15.44 C ATOM 1198 O THR A 76 -5.184 10.779 4.767 1.00 22.43 O ATOM 1199 CB THR A 76 -7.814 10.088 2.509 1.00 12.03 C ATOM 1200 OG1 THR A 76 -8.207 9.383 3.672 1.00 20.20 O ATOM 1201 CG2 THR A 76 -7.652 9.094 1.350 1.00 72.44 C ATOM 0 H THR A 76 -5.548 10.713 1.018 1.00 35.31 H new ATOM 0 HA THR A 76 -7.012 11.762 3.414 1.00 3.42 H new ATOM 0 HB THR A 76 -8.577 10.795 2.182 1.00 12.03 H new ATOM 0 HG1 THR A 76 -8.994 8.834 3.472 1.00 20.20 H new ATOM 0 HG21 THR A 76 -8.580 8.537 1.216 1.00 72.44 H new ATOM 0 HG22 THR A 76 -7.419 9.638 0.434 1.00 72.44 H new ATOM 0 HG23 THR A 76 -6.842 8.400 1.576 1.00 72.44 H new ATOM 1209 N GLU A 77 -4.851 9.261 3.144 1.00 23.24 N ATOM 1210 CA GLU A 77 -4.026 8.376 3.921 1.00 2.13 C ATOM 1211 C GLU A 77 -2.587 8.721 3.618 1.00 12.10 C ATOM 1212 O GLU A 77 -2.254 9.222 2.540 1.00 43.34 O ATOM 1213 CB GLU A 77 -4.298 6.941 3.497 1.00 61.55 C ATOM 1214 CG GLU A 77 -5.702 6.451 3.884 1.00 31.13 C ATOM 1215 CD GLU A 77 -6.130 5.224 3.083 1.00 35.13 C ATOM 1216 OE1 GLU A 77 -5.612 4.107 3.353 1.00 51.23 O ATOM 1217 OE2 GLU A 77 -6.952 5.347 2.151 1.00 63.44 O ATOM 0 H GLU A 77 -4.901 9.014 2.156 1.00 23.24 H new ATOM 0 HA GLU A 77 -4.235 8.480 4.986 1.00 2.13 H new ATOM 0 HB2 GLU A 77 -4.177 6.859 2.417 1.00 61.55 H new ATOM 0 HB3 GLU A 77 -3.554 6.287 3.952 1.00 61.55 H new ATOM 0 HG2 GLU A 77 -5.720 6.212 4.947 1.00 31.13 H new ATOM 0 HG3 GLU A 77 -6.421 7.255 3.725 1.00 31.13 H new ATOM 1224 N GLN A 78 -1.720 8.380 4.555 1.00 13.42 N ATOM 1225 CA GLN A 78 -0.299 8.513 4.403 1.00 71.21 C ATOM 1226 C GLN A 78 0.402 7.558 5.374 1.00 0.50 C ATOM 1227 O GLN A 78 0.201 7.678 6.585 1.00 34.00 O ATOM 1228 CB GLN A 78 0.121 9.979 4.597 1.00 23.02 C ATOM 1229 CG GLN A 78 -0.374 10.669 5.877 1.00 41.44 C ATOM 1230 CD GLN A 78 0.753 11.045 6.816 1.00 41.22 C ATOM 1231 OE1 GLN A 78 1.130 12.212 6.925 1.00 31.34 O ATOM 1232 NE2 GLN A 78 1.301 10.073 7.516 1.00 62.32 N ATOM 0 H GLN A 78 -1.999 7.996 5.458 1.00 13.42 H new ATOM 0 HA GLN A 78 0.003 8.236 3.393 1.00 71.21 H new ATOM 0 HB2 GLN A 78 1.210 10.027 4.583 1.00 23.02 H new ATOM 0 HB3 GLN A 78 -0.235 10.552 3.741 1.00 23.02 H new ATOM 0 HG2 GLN A 78 -0.931 11.566 5.608 1.00 41.44 H new ATOM 0 HG3 GLN A 78 -1.067 10.007 6.396 1.00 41.44 H new ATOM 0 HE21 GLN A 78 0.969 9.115 7.406 1.00 62.32 H new ATOM 0 HE22 GLN A 78 2.058 10.278 8.168 1.00 62.32 H new ATOM 1241 N TYR A 79 1.233 6.644 4.874 1.00 22.22 N ATOM 1242 CA TYR A 79 1.894 5.611 5.672 1.00 20.30 C ATOM 1243 C TYR A 79 3.403 5.859 5.681 1.00 32.20 C ATOM 1244 O TYR A 79 3.966 6.391 4.719 1.00 42.14 O ATOM 1245 CB TYR A 79 1.584 4.213 5.109 1.00 40.43 C ATOM 1246 CG TYR A 79 0.111 3.843 5.045 1.00 2.13 C ATOM 1247 CD1 TYR A 79 -0.686 4.264 3.957 1.00 20.43 C ATOM 1248 CD2 TYR A 79 -0.456 3.058 6.070 1.00 60.45 C ATOM 1249 CE1 TYR A 79 -2.059 3.945 3.922 1.00 61.15 C ATOM 1250 CE2 TYR A 79 -1.821 2.719 6.013 1.00 53.51 C ATOM 1251 CZ TYR A 79 -2.640 3.197 4.968 1.00 43.25 C ATOM 1252 OH TYR A 79 -3.970 2.906 4.979 1.00 71.03 O ATOM 0 H TYR A 79 1.471 6.600 3.883 1.00 22.22 H new ATOM 0 HA TYR A 79 1.518 5.657 6.694 1.00 20.30 H new ATOM 0 HB2 TYR A 79 2.001 4.145 4.104 1.00 40.43 H new ATOM 0 HB3 TYR A 79 2.100 3.472 5.720 1.00 40.43 H new ATOM 0 HD1 TYR A 79 -0.243 4.831 3.151 1.00 20.43 H new ATOM 0 HD2 TYR A 79 0.154 2.719 6.894 1.00 60.45 H new ATOM 0 HE1 TYR A 79 -2.667 4.274 3.093 1.00 61.15 H new ATOM 0 HE2 TYR A 79 -2.246 2.086 6.778 1.00 53.51 H new ATOM 0 HH TYR A 79 -4.406 3.340 4.216 1.00 71.03 H new ATOM 1262 N HIS A 80 4.079 5.449 6.755 1.00 11.12 N ATOM 1263 CA HIS A 80 5.541 5.458 6.819 1.00 55.13 C ATOM 1264 C HIS A 80 6.054 4.228 6.070 1.00 33.45 C ATOM 1265 O HIS A 80 5.754 3.099 6.467 1.00 31.21 O ATOM 1266 CB HIS A 80 6.042 5.486 8.276 1.00 54.43 C ATOM 1267 CG HIS A 80 6.630 6.814 8.696 1.00 22.32 C ATOM 1268 ND1 HIS A 80 6.101 8.062 8.452 1.00 15.44 N ATOM 1269 CD2 HIS A 80 7.820 6.993 9.352 1.00 11.34 C ATOM 1270 CE1 HIS A 80 6.958 8.975 8.937 1.00 72.05 C ATOM 1271 NE2 HIS A 80 8.022 8.371 9.497 1.00 43.12 N ATOM 0 H HIS A 80 3.630 5.102 7.603 1.00 11.12 H new ATOM 0 HA HIS A 80 5.927 6.362 6.349 1.00 55.13 H new ATOM 0 HB2 HIS A 80 5.213 5.241 8.940 1.00 54.43 H new ATOM 0 HB3 HIS A 80 6.795 4.709 8.406 1.00 54.43 H new ATOM 0 HD2 HIS A 80 8.482 6.212 9.695 1.00 11.34 H new ATOM 0 HE1 HIS A 80 6.814 10.044 8.885 1.00 72.05 H new ATOM 0 HE2 HIS A 80 8.819 8.827 9.940 1.00 43.12 H new ATOM 1279 N ILE A 81 6.818 4.436 4.995 1.00 33.31 N ATOM 1280 CA ILE A 81 7.498 3.384 4.247 1.00 0.53 C ATOM 1281 C ILE A 81 8.782 3.047 5.007 1.00 33.11 C ATOM 1282 O ILE A 81 9.876 3.478 4.628 1.00 12.14 O ATOM 1283 CB ILE A 81 7.822 3.841 2.796 1.00 15.35 C ATOM 1284 CG1 ILE A 81 6.650 4.482 2.031 1.00 41.52 C ATOM 1285 CG2 ILE A 81 8.509 2.736 1.964 1.00 53.31 C ATOM 1286 CD1 ILE A 81 7.072 4.909 0.611 1.00 20.02 C ATOM 0 H ILE A 81 6.983 5.367 4.613 1.00 33.31 H new ATOM 0 HA ILE A 81 6.856 2.507 4.162 1.00 0.53 H new ATOM 0 HB ILE A 81 8.538 4.650 2.936 1.00 15.35 H new ATOM 0 HG12 ILE A 81 5.823 3.774 1.969 1.00 41.52 H new ATOM 0 HG13 ILE A 81 6.286 5.350 2.581 1.00 41.52 H new ATOM 0 HG21 ILE A 81 8.712 3.109 0.960 1.00 53.31 H new ATOM 0 HG22 ILE A 81 9.446 2.451 2.442 1.00 53.31 H new ATOM 0 HG23 ILE A 81 7.854 1.867 1.902 1.00 53.31 H new ATOM 0 HD11 ILE A 81 6.221 5.358 0.098 1.00 20.02 H new ATOM 0 HD12 ILE A 81 7.882 5.636 0.675 1.00 20.02 H new ATOM 0 HD13 ILE A 81 7.412 4.036 0.054 1.00 20.02 H new ATOM 1298 N LEU A 82 8.676 2.250 6.068 1.00 4.44 N ATOM 1299 CA LEU A 82 9.867 1.879 6.828 1.00 51.52 C ATOM 1300 C LEU A 82 10.799 1.049 5.961 1.00 53.52 C ATOM 1301 O LEU A 82 11.998 1.327 5.910 1.00 71.20 O ATOM 1302 CB LEU A 82 9.522 1.077 8.080 1.00 23.03 C ATOM 1303 CG LEU A 82 8.539 1.772 9.022 1.00 14.45 C ATOM 1304 CD1 LEU A 82 8.343 0.821 10.201 1.00 53.12 C ATOM 1305 CD2 LEU A 82 9.043 3.129 9.527 1.00 61.20 C ATOM 0 H LEU A 82 7.801 1.857 6.415 1.00 4.44 H new ATOM 0 HA LEU A 82 10.352 2.806 7.135 1.00 51.52 H new ATOM 0 HB2 LEU A 82 9.101 0.118 7.778 1.00 23.03 H new ATOM 0 HB3 LEU A 82 10.441 0.864 8.626 1.00 23.03 H new ATOM 0 HG LEU A 82 7.612 1.983 8.489 1.00 14.45 H new ATOM 0 HD11 LEU A 82 7.647 1.263 10.913 1.00 53.12 H new ATOM 0 HD12 LEU A 82 7.941 -0.126 9.841 1.00 53.12 H new ATOM 0 HD13 LEU A 82 9.301 0.646 10.691 1.00 53.12 H new ATOM 0 HD21 LEU A 82 8.299 3.569 10.191 1.00 61.20 H new ATOM 0 HD22 LEU A 82 9.978 2.991 10.071 1.00 61.20 H new ATOM 0 HD23 LEU A 82 9.211 3.793 8.679 1.00 61.20 H new ATOM 1317 N LYS A 83 10.255 0.039 5.274 1.00 40.20 N ATOM 1318 CA LYS A 83 11.038 -0.900 4.484 1.00 13.31 C ATOM 1319 C LYS A 83 10.184 -1.456 3.353 1.00 60.42 C ATOM 1320 O LYS A 83 8.963 -1.567 3.507 1.00 11.15 O ATOM 1321 CB LYS A 83 11.583 -1.996 5.431 1.00 43.32 C ATOM 1322 CG LYS A 83 13.052 -2.361 5.178 1.00 0.21 C ATOM 1323 CD LYS A 83 14.030 -1.180 5.364 1.00 33.05 C ATOM 1324 CE LYS A 83 15.368 -1.474 4.695 1.00 34.02 C ATOM 1325 NZ LYS A 83 16.399 -0.474 5.034 1.00 52.33 N ATOM 0 H LYS A 83 9.252 -0.146 5.254 1.00 40.20 H new ATOM 0 HA LYS A 83 11.891 -0.411 4.014 1.00 13.31 H new ATOM 0 HB2 LYS A 83 11.475 -1.659 6.462 1.00 43.32 H new ATOM 0 HB3 LYS A 83 10.972 -2.892 5.323 1.00 43.32 H new ATOM 0 HG2 LYS A 83 13.338 -3.167 5.854 1.00 0.21 H new ATOM 0 HG3 LYS A 83 13.151 -2.746 4.163 1.00 0.21 H new ATOM 0 HD2 LYS A 83 13.598 -0.274 4.940 1.00 33.05 H new ATOM 0 HD3 LYS A 83 14.183 -0.993 6.427 1.00 33.05 H new ATOM 0 HE2 LYS A 83 15.712 -2.463 4.997 1.00 34.02 H new ATOM 0 HE3 LYS A 83 15.232 -1.500 3.614 1.00 34.02 H new ATOM 0 HZ1 LYS A 83 17.290 -0.718 4.555 1.00 52.33 H new ATOM 0 HZ2 LYS A 83 16.085 0.467 4.723 1.00 52.33 H new ATOM 0 HZ3 LYS A 83 16.550 -0.466 6.063 1.00 52.33 H new ATOM 1339 N LEU A 84 10.818 -1.798 2.231 1.00 62.44 N ATOM 1340 CA LEU A 84 10.229 -2.395 1.037 1.00 50.22 C ATOM 1341 C LEU A 84 11.325 -3.266 0.432 1.00 22.02 C ATOM 1342 O LEU A 84 12.355 -2.731 0.033 1.00 45.43 O ATOM 1343 CB LEU A 84 9.809 -1.281 0.062 1.00 64.00 C ATOM 1344 CG LEU A 84 8.850 -1.730 -1.055 1.00 44.12 C ATOM 1345 CD1 LEU A 84 8.424 -0.507 -1.877 1.00 53.20 C ATOM 1346 CD2 LEU A 84 9.466 -2.768 -1.997 1.00 34.14 C ATOM 0 H LEU A 84 11.823 -1.655 2.128 1.00 62.44 H new ATOM 0 HA LEU A 84 9.339 -2.984 1.259 1.00 50.22 H new ATOM 0 HB2 LEU A 84 9.334 -0.481 0.629 1.00 64.00 H new ATOM 0 HB3 LEU A 84 10.705 -0.860 -0.395 1.00 64.00 H new ATOM 0 HG LEU A 84 7.995 -2.200 -0.569 1.00 44.12 H new ATOM 0 HD11 LEU A 84 7.744 -0.820 -2.670 1.00 53.20 H new ATOM 0 HD12 LEU A 84 7.920 0.209 -1.229 1.00 53.20 H new ATOM 0 HD13 LEU A 84 9.305 -0.040 -2.318 1.00 53.20 H new ATOM 0 HD21 LEU A 84 8.739 -3.043 -2.761 1.00 34.14 H new ATOM 0 HD22 LEU A 84 10.352 -2.347 -2.473 1.00 34.14 H new ATOM 0 HD23 LEU A 84 9.747 -3.654 -1.428 1.00 34.14 H new ATOM 1358 N THR A 85 11.173 -4.579 0.417 1.00 53.44 N ATOM 1359 CA THR A 85 12.184 -5.522 -0.050 1.00 11.11 C ATOM 1360 C THR A 85 11.572 -6.402 -1.143 1.00 3.53 C ATOM 1361 O THR A 85 10.437 -6.167 -1.568 1.00 65.54 O ATOM 1362 CB THR A 85 12.778 -6.313 1.137 1.00 4.14 C ATOM 1363 OG1 THR A 85 11.915 -7.345 1.581 1.00 3.25 O ATOM 1364 CG2 THR A 85 13.113 -5.413 2.338 1.00 70.02 C ATOM 0 H THR A 85 10.319 -5.035 0.738 1.00 53.44 H new ATOM 0 HA THR A 85 13.028 -4.997 -0.496 1.00 11.11 H new ATOM 0 HB THR A 85 13.698 -6.750 0.750 1.00 4.14 H new ATOM 0 HG1 THR A 85 12.331 -7.820 2.331 1.00 3.25 H new ATOM 0 HG21 THR A 85 13.527 -6.020 3.143 1.00 70.02 H new ATOM 0 HG22 THR A 85 13.844 -4.662 2.037 1.00 70.02 H new ATOM 0 HG23 THR A 85 12.206 -4.918 2.686 1.00 70.02 H new ATOM 1372 N SER A 86 12.297 -7.427 -1.596 1.00 32.04 N ATOM 1373 CA SER A 86 11.829 -8.376 -2.596 1.00 50.01 C ATOM 1374 C SER A 86 10.488 -9.027 -2.241 1.00 33.24 C ATOM 1375 O SER A 86 9.797 -9.488 -3.155 1.00 54.40 O ATOM 1376 CB SER A 86 12.895 -9.457 -2.813 1.00 52.41 C ATOM 1377 OG SER A 86 14.210 -8.946 -2.652 1.00 31.33 O ATOM 0 H SER A 86 13.244 -7.620 -1.269 1.00 32.04 H new ATOM 0 HA SER A 86 11.662 -7.812 -3.514 1.00 50.01 H new ATOM 0 HB2 SER A 86 12.734 -10.272 -2.108 1.00 52.41 H new ATOM 0 HB3 SER A 86 12.789 -9.876 -3.814 1.00 52.41 H new ATOM 0 HG SER A 86 14.799 -9.656 -2.322 1.00 31.33 H new ATOM 1383 N LYS A 87 10.092 -9.055 -0.957 1.00 54.30 N ATOM 1384 CA LYS A 87 8.721 -9.379 -0.595 1.00 72.22 C ATOM 1385 C LYS A 87 8.179 -8.699 0.656 1.00 53.20 C ATOM 1386 O LYS A 87 6.966 -8.771 0.808 1.00 73.33 O ATOM 1387 CB LYS A 87 8.528 -10.904 -0.494 1.00 43.23 C ATOM 1388 CG LYS A 87 9.266 -11.499 0.706 1.00 31.45 C ATOM 1389 CD LYS A 87 9.112 -13.020 0.790 1.00 10.42 C ATOM 1390 CE LYS A 87 9.957 -13.553 1.950 1.00 24.05 C ATOM 1391 NZ LYS A 87 11.406 -13.397 1.704 1.00 44.21 N ATOM 0 H LYS A 87 10.704 -8.857 -0.165 1.00 54.30 H new ATOM 0 HA LYS A 87 8.129 -8.968 -1.413 1.00 72.22 H new ATOM 0 HB2 LYS A 87 7.465 -11.130 -0.413 1.00 43.23 H new ATOM 0 HB3 LYS A 87 8.886 -11.376 -1.409 1.00 43.23 H new ATOM 0 HG2 LYS A 87 10.324 -11.247 0.640 1.00 31.45 H new ATOM 0 HG3 LYS A 87 8.887 -11.047 1.623 1.00 31.45 H new ATOM 0 HD2 LYS A 87 8.065 -13.283 0.938 1.00 10.42 H new ATOM 0 HD3 LYS A 87 9.427 -13.481 -0.146 1.00 10.42 H new ATOM 0 HE2 LYS A 87 9.687 -13.027 2.866 1.00 24.05 H new ATOM 0 HE3 LYS A 87 9.729 -14.607 2.109 1.00 24.05 H new ATOM 0 HZ1 LYS A 87 11.937 -14.012 2.354 1.00 44.21 H new ATOM 0 HZ2 LYS A 87 11.622 -13.663 0.722 1.00 44.21 H new ATOM 0 HZ3 LYS A 87 11.680 -12.407 1.863 1.00 44.21 H new ATOM 1405 N GLU A 88 8.961 -8.084 1.551 1.00 23.35 N ATOM 1406 CA GLU A 88 8.383 -7.465 2.752 1.00 52.41 C ATOM 1407 C GLU A 88 8.116 -5.988 2.461 1.00 64.23 C ATOM 1408 O GLU A 88 8.951 -5.322 1.855 1.00 71.12 O ATOM 1409 CB GLU A 88 9.313 -7.599 3.983 1.00 24.34 C ATOM 1410 CG GLU A 88 8.494 -7.415 5.283 1.00 42.33 C ATOM 1411 CD GLU A 88 9.295 -7.304 6.592 1.00 2.44 C ATOM 1412 OE1 GLU A 88 10.523 -7.557 6.637 1.00 35.22 O ATOM 1413 OE2 GLU A 88 8.693 -6.918 7.624 1.00 2.35 O ATOM 0 H GLU A 88 9.975 -8.001 1.471 1.00 23.35 H new ATOM 0 HA GLU A 88 7.455 -7.984 2.993 1.00 52.41 H new ATOM 0 HB2 GLU A 88 9.795 -8.577 3.981 1.00 24.34 H new ATOM 0 HB3 GLU A 88 10.106 -6.853 3.934 1.00 24.34 H new ATOM 0 HG2 GLU A 88 7.886 -6.516 5.178 1.00 42.33 H new ATOM 0 HG3 GLU A 88 7.807 -8.256 5.374 1.00 42.33 H new ATOM 1420 N MET A 89 6.996 -5.438 2.925 1.00 61.33 N ATOM 1421 CA MET A 89 6.730 -4.010 2.894 1.00 61.14 C ATOM 1422 C MET A 89 6.056 -3.543 4.183 1.00 62.40 C ATOM 1423 O MET A 89 4.887 -3.828 4.428 1.00 31.45 O ATOM 1424 CB MET A 89 5.935 -3.689 1.639 1.00 73.32 C ATOM 1425 CG MET A 89 5.657 -2.204 1.529 1.00 72.24 C ATOM 1426 SD MET A 89 5.116 -1.719 -0.130 1.00 74.14 S ATOM 1427 CE MET A 89 3.365 -2.155 -0.033 1.00 63.21 C ATOM 0 H MET A 89 6.240 -5.984 3.338 1.00 61.33 H new ATOM 0 HA MET A 89 7.665 -3.452 2.847 1.00 61.14 H new ATOM 0 HB2 MET A 89 6.487 -4.024 0.761 1.00 73.32 H new ATOM 0 HB3 MET A 89 4.993 -4.238 1.652 1.00 73.32 H new ATOM 0 HG2 MET A 89 4.891 -1.927 2.253 1.00 72.24 H new ATOM 0 HG3 MET A 89 6.558 -1.649 1.790 1.00 72.24 H new ATOM 0 HE1 MET A 89 2.867 -1.870 -0.960 1.00 63.21 H new ATOM 0 HE2 MET A 89 3.265 -3.230 0.117 1.00 63.21 H new ATOM 0 HE3 MET A 89 2.905 -1.628 0.803 1.00 63.21 H new ATOM 1437 N LYS A 90 6.809 -2.821 5.010 1.00 43.41 N ATOM 1438 CA LYS A 90 6.432 -2.372 6.348 1.00 14.45 C ATOM 1439 C LYS A 90 5.779 -1.003 6.266 1.00 61.20 C ATOM 1440 O LYS A 90 6.503 0.000 6.238 1.00 2.11 O ATOM 1441 CB LYS A 90 7.661 -2.293 7.276 1.00 13.42 C ATOM 1442 CG LYS A 90 8.150 -3.608 7.893 1.00 61.44 C ATOM 1443 CD LYS A 90 9.190 -3.310 8.992 1.00 22.35 C ATOM 1444 CE LYS A 90 9.364 -4.459 9.994 1.00 42.23 C ATOM 1445 NZ LYS A 90 10.204 -5.551 9.478 1.00 63.10 N ATOM 0 H LYS A 90 7.748 -2.518 4.751 1.00 43.41 H new ATOM 0 HA LYS A 90 5.730 -3.096 6.761 1.00 14.45 H new ATOM 0 HB2 LYS A 90 8.485 -1.856 6.711 1.00 13.42 H new ATOM 0 HB3 LYS A 90 7.430 -1.603 8.087 1.00 13.42 H new ATOM 0 HG2 LYS A 90 7.309 -4.158 8.314 1.00 61.44 H new ATOM 0 HG3 LYS A 90 8.591 -4.241 7.123 1.00 61.44 H new ATOM 0 HD2 LYS A 90 10.151 -3.097 8.524 1.00 22.35 H new ATOM 0 HD3 LYS A 90 8.891 -2.410 9.530 1.00 22.35 H new ATOM 0 HE2 LYS A 90 9.807 -4.070 10.911 1.00 42.23 H new ATOM 0 HE3 LYS A 90 8.383 -4.856 10.257 1.00 42.23 H new ATOM 0 HZ1 LYS A 90 10.327 -6.273 10.216 1.00 63.10 H new ATOM 0 HZ2 LYS A 90 9.746 -5.979 8.648 1.00 63.10 H new ATOM 0 HZ3 LYS A 90 11.134 -5.174 9.204 1.00 63.10 H new ATOM 1459 N TRP A 91 4.445 -0.952 6.177 1.00 60.30 N ATOM 1460 CA TRP A 91 3.708 0.302 6.300 1.00 52.42 C ATOM 1461 C TRP A 91 3.479 0.510 7.792 1.00 73.04 C ATOM 1462 O TRP A 91 2.862 -0.331 8.446 1.00 53.11 O ATOM 1463 CB TRP A 91 2.384 0.280 5.509 1.00 75.12 C ATOM 1464 CG TRP A 91 2.436 0.755 4.076 1.00 24.15 C ATOM 1465 CD1 TRP A 91 1.381 1.228 3.364 1.00 51.23 C ATOM 1466 CD2 TRP A 91 3.583 0.871 3.167 1.00 20.35 C ATOM 1467 NE1 TRP A 91 1.780 1.547 2.089 1.00 42.21 N ATOM 1468 CE2 TRP A 91 3.133 1.412 1.931 1.00 40.32 C ATOM 1469 CE3 TRP A 91 4.963 0.591 3.239 1.00 24.41 C ATOM 1470 CZ2 TRP A 91 3.996 1.687 0.865 1.00 75.43 C ATOM 1471 CZ3 TRP A 91 5.838 0.834 2.174 1.00 42.50 C ATOM 1472 CH2 TRP A 91 5.355 1.384 0.982 1.00 12.23 C ATOM 0 H TRP A 91 3.856 -1.770 6.020 1.00 60.30 H new ATOM 0 HA TRP A 91 4.274 1.129 5.871 1.00 52.42 H new ATOM 0 HB2 TRP A 91 2.003 -0.741 5.514 1.00 75.12 H new ATOM 0 HB3 TRP A 91 1.659 0.894 6.044 1.00 75.12 H new ATOM 0 HD1 TRP A 91 0.376 1.337 3.744 1.00 51.23 H new ATOM 0 HE1 TRP A 91 1.145 1.848 1.350 1.00 42.21 H new ATOM 0 HE3 TRP A 91 5.360 0.173 4.152 1.00 24.41 H new ATOM 0 HZ2 TRP A 91 3.614 2.131 -0.043 1.00 75.43 H new ATOM 0 HZ3 TRP A 91 6.887 0.597 2.273 1.00 42.50 H new ATOM 0 HH2 TRP A 91 6.027 1.573 0.158 1.00 12.23 H new ATOM 1483 N GLU A 92 4.002 1.599 8.343 1.00 60.13 N ATOM 1484 CA GLU A 92 3.714 2.028 9.704 1.00 32.33 C ATOM 1485 C GLU A 92 2.687 3.163 9.653 1.00 3.14 C ATOM 1486 O GLU A 92 2.585 3.872 8.649 1.00 13.14 O ATOM 1487 CB GLU A 92 5.034 2.392 10.394 1.00 71.30 C ATOM 1488 CG GLU A 92 4.870 2.950 11.813 1.00 14.54 C ATOM 1489 CD GLU A 92 6.164 2.807 12.614 1.00 40.14 C ATOM 1490 OE1 GLU A 92 6.442 1.676 13.071 1.00 53.22 O ATOM 1491 OE2 GLU A 92 6.902 3.801 12.814 1.00 55.44 O ATOM 0 H GLU A 92 4.647 2.216 7.849 1.00 60.13 H new ATOM 0 HA GLU A 92 3.265 1.236 10.304 1.00 32.33 H new ATOM 0 HB2 GLU A 92 5.666 1.505 10.436 1.00 71.30 H new ATOM 0 HB3 GLU A 92 5.558 3.128 9.785 1.00 71.30 H new ATOM 0 HG2 GLU A 92 4.584 4.001 11.763 1.00 14.54 H new ATOM 0 HG3 GLU A 92 4.063 2.424 12.323 1.00 14.54 H new ATOM 1498 N ASN A 93 1.921 3.316 10.738 1.00 13.42 N ATOM 1499 CA ASN A 93 0.711 4.120 10.822 1.00 43.31 C ATOM 1500 C ASN A 93 0.958 5.545 10.363 1.00 12.32 C ATOM 1501 O ASN A 93 0.213 6.000 9.507 1.00 63.35 O ATOM 1502 CB ASN A 93 0.159 4.071 12.264 1.00 41.13 C ATOM 1503 CG ASN A 93 -1.188 4.749 12.537 1.00 2.13 C ATOM 1504 OD1 ASN A 93 -1.749 5.563 11.661 1.00 41.35 O flip ATOM 1505 ND2 ASN A 93 -1.737 4.547 13.609 1.00 35.41 N flip ATOM 0 H ASN A 93 2.144 2.857 11.621 1.00 13.42 H new ATOM 0 HA ASN A 93 -0.038 3.703 10.148 1.00 43.31 H new ATOM 0 HB2 ASN A 93 0.072 3.024 12.554 1.00 41.13 H new ATOM 0 HB3 ASN A 93 0.901 4.523 12.922 1.00 41.13 H new ATOM 0 HD21 ASN A 93 -1.310 3.920 14.291 1.00 35.41 H new ATOM 0 HD22 ASN A 93 -2.623 5.006 13.823 1.00 35.41 H new ATOM 1512 N ALA A 94 1.968 6.233 10.905 1.00 4.31 N ATOM 1513 CA ALA A 94 2.402 7.594 10.569 1.00 32.31 C ATOM 1514 C ALA A 94 1.372 8.697 10.850 1.00 2.12 C ATOM 1515 O ALA A 94 1.716 9.723 11.423 1.00 1.20 O ATOM 1516 CB ALA A 94 2.869 7.646 9.112 1.00 55.41 C ATOM 0 H ALA A 94 2.544 5.826 11.641 1.00 4.31 H new ATOM 0 HA ALA A 94 3.229 7.813 11.244 1.00 32.31 H new ATOM 0 HB1 ALA A 94 3.190 8.659 8.869 1.00 55.41 H new ATOM 0 HB2 ALA A 94 3.703 6.958 8.972 1.00 55.41 H new ATOM 0 HB3 ALA A 94 2.047 7.358 8.456 1.00 55.41 H new ATOM 1522 N SER A 95 0.118 8.529 10.456 1.00 74.43 N ATOM 1523 CA SER A 95 -0.966 9.468 10.695 1.00 43.55 C ATOM 1524 C SER A 95 -2.012 8.768 11.562 1.00 15.23 C ATOM 1525 O SER A 95 -3.001 8.265 11.019 1.00 41.25 O ATOM 1526 CB SER A 95 -1.533 9.993 9.372 1.00 31.30 C ATOM 1527 OG SER A 95 -1.179 11.337 9.122 1.00 3.20 O ATOM 0 H SER A 95 -0.183 7.702 9.941 1.00 74.43 H new ATOM 0 HA SER A 95 -0.608 10.349 11.228 1.00 43.55 H new ATOM 0 HB2 SER A 95 -1.173 9.369 8.554 1.00 31.30 H new ATOM 0 HB3 SER A 95 -2.619 9.904 9.386 1.00 31.30 H new ATOM 0 HG SER A 95 -1.770 11.709 8.434 1.00 3.20 H new ATOM 1533 N PRO A 96 -1.824 8.764 12.897 1.00 71.34 N ATOM 1534 CA PRO A 96 -2.752 8.187 13.865 1.00 35.31 C ATOM 1535 C PRO A 96 -4.095 8.929 13.933 1.00 73.24 C ATOM 1536 O PRO A 96 -4.930 8.598 14.773 1.00 75.04 O ATOM 1537 CB PRO A 96 -2.008 8.181 15.200 1.00 35.03 C ATOM 1538 CG PRO A 96 -1.059 9.359 15.086 1.00 63.22 C ATOM 1539 CD PRO A 96 -0.688 9.348 13.607 1.00 31.13 C ATOM 0 HA PRO A 96 -3.038 7.177 13.571 1.00 35.31 H new ATOM 0 HB2 PRO A 96 -2.692 8.297 16.041 1.00 35.03 H new ATOM 0 HB3 PRO A 96 -1.469 7.246 15.354 1.00 35.03 H new ATOM 0 HG2 PRO A 96 -1.538 10.294 15.377 1.00 63.22 H new ATOM 0 HG3 PRO A 96 -0.184 9.237 15.724 1.00 63.22 H new ATOM 0 HD2 PRO A 96 -0.486 10.358 13.251 1.00 31.13 H new ATOM 0 HD3 PRO A 96 0.216 8.763 13.439 1.00 31.13 H new ATOM 1547 N LYS A 97 -4.250 10.025 13.181 1.00 32.40 N ATOM 1548 CA LYS A 97 -5.444 10.866 13.174 1.00 42.41 C ATOM 1549 C LYS A 97 -6.179 10.817 11.847 1.00 55.24 C ATOM 1550 O LYS A 97 -7.382 11.065 11.828 1.00 0.53 O ATOM 1551 CB LYS A 97 -5.051 12.315 13.467 1.00 54.21 C ATOM 1552 CG LYS A 97 -4.487 12.462 14.881 1.00 0.22 C ATOM 1553 CD LYS A 97 -3.830 13.835 15.061 1.00 72.41 C ATOM 1554 CE LYS A 97 -2.421 13.829 14.460 1.00 20.30 C ATOM 1555 NZ LYS A 97 -1.802 15.164 14.483 1.00 43.45 N ATOM 0 H LYS A 97 -3.526 10.357 12.544 1.00 32.40 H new ATOM 0 HA LYS A 97 -6.114 10.481 13.943 1.00 42.41 H new ATOM 0 HB2 LYS A 97 -4.309 12.647 12.741 1.00 54.21 H new ATOM 0 HB3 LYS A 97 -5.921 12.961 13.351 1.00 54.21 H new ATOM 0 HG2 LYS A 97 -5.286 12.337 15.612 1.00 0.22 H new ATOM 0 HG3 LYS A 97 -3.756 11.676 15.070 1.00 0.22 H new ATOM 0 HD2 LYS A 97 -4.436 14.602 14.579 1.00 72.41 H new ATOM 0 HD3 LYS A 97 -3.781 14.087 16.120 1.00 72.41 H new ATOM 0 HE2 LYS A 97 -1.794 13.130 15.014 1.00 20.30 H new ATOM 0 HE3 LYS A 97 -2.468 13.469 13.432 1.00 20.30 H new ATOM 0 HZ1 LYS A 97 -0.850 15.113 14.067 1.00 43.45 H new ATOM 0 HZ2 LYS A 97 -2.385 15.827 13.933 1.00 43.45 H new ATOM 0 HZ3 LYS A 97 -1.733 15.498 15.466 1.00 43.45 H new ATOM 1569 N ASP A 98 -5.487 10.547 10.734 1.00 31.30 N ATOM 1570 CA ASP A 98 -6.162 10.460 9.448 1.00 12.21 C ATOM 1571 C ASP A 98 -6.961 9.163 9.384 1.00 42.41 C ATOM 1572 O ASP A 98 -8.073 9.190 8.854 1.00 73.34 O ATOM 1573 CB ASP A 98 -5.200 10.532 8.270 1.00 13.22 C ATOM 1574 CG ASP A 98 -4.640 11.920 7.947 1.00 31.13 C ATOM 1575 OD1 ASP A 98 -5.405 12.832 7.555 1.00 55.55 O ATOM 1576 OD2 ASP A 98 -3.395 12.072 8.004 1.00 54.44 O ATOM 0 H ASP A 98 -4.480 10.389 10.703 1.00 31.30 H new ATOM 0 HA ASP A 98 -6.825 11.322 9.369 1.00 12.21 H new ATOM 0 HB2 ASP A 98 -4.364 9.861 8.467 1.00 13.22 H new ATOM 0 HB3 ASP A 98 -5.711 10.153 7.385 1.00 13.22 H new ATOM 1581 N GLY A 99 -6.429 8.067 9.954 1.00 62.02 N ATOM 1582 CA GLY A 99 -7.037 6.738 9.865 1.00 11.21 C ATOM 1583 C GLY A 99 -6.173 5.736 9.099 1.00 62.04 C ATOM 1584 O GLY A 99 -6.703 4.988 8.271 1.00 73.31 O ATOM 0 H GLY A 99 -5.562 8.084 10.490 1.00 62.02 H new ATOM 0 HA2 GLY A 99 -7.218 6.359 10.871 1.00 11.21 H new ATOM 0 HA3 GLY A 99 -8.008 6.821 9.376 1.00 11.21 H new ATOM 1588 N ASN A 100 -4.855 5.735 9.328 1.00 2.43 N ATOM 1589 CA ASN A 100 -3.916 4.793 8.703 1.00 33.14 C ATOM 1590 C ASN A 100 -3.742 3.577 9.622 1.00 44.41 C ATOM 1591 O ASN A 100 -4.303 3.551 10.711 1.00 24.03 O ATOM 1592 CB ASN A 100 -2.564 5.432 8.430 1.00 53.12 C ATOM 1593 CG ASN A 100 -2.683 6.498 7.392 1.00 32.32 C ATOM 1594 OD1 ASN A 100 -2.477 6.286 6.211 1.00 44.24 O ATOM 1595 ND2 ASN A 100 -3.060 7.672 7.839 1.00 54.31 N ATOM 0 H ASN A 100 -4.404 6.396 9.960 1.00 2.43 H new ATOM 0 HA ASN A 100 -4.330 4.487 7.742 1.00 33.14 H new ATOM 0 HB2 ASN A 100 -2.165 5.857 9.351 1.00 53.12 H new ATOM 0 HB3 ASN A 100 -1.857 4.671 8.098 1.00 53.12 H new ATOM 0 HD21 ASN A 100 -3.191 8.447 7.189 1.00 54.31 H new ATOM 0 HD22 ASN A 100 -3.223 7.810 8.836 1.00 54.31 H new ATOM 1602 N SER A 101 -2.934 2.584 9.248 1.00 13.12 N ATOM 1603 CA SER A 101 -2.827 1.332 9.979 1.00 35.34 C ATOM 1604 C SER A 101 -1.454 0.711 9.716 1.00 2.43 C ATOM 1605 O SER A 101 -0.777 1.082 8.754 1.00 64.04 O ATOM 1606 CB SER A 101 -3.987 0.419 9.556 1.00 61.32 C ATOM 1607 OG SER A 101 -4.221 0.487 8.155 1.00 54.21 O ATOM 0 H SER A 101 -2.334 2.631 8.424 1.00 13.12 H new ATOM 0 HA SER A 101 -2.905 1.490 11.055 1.00 35.34 H new ATOM 0 HB2 SER A 101 -3.763 -0.610 9.839 1.00 61.32 H new ATOM 0 HB3 SER A 101 -4.892 0.707 10.091 1.00 61.32 H new ATOM 0 HG SER A 101 -4.964 -0.107 7.918 1.00 54.21 H new ATOM 1613 N ASP A 102 -1.038 -0.220 10.570 1.00 63.33 N ATOM 1614 CA ASP A 102 0.336 -0.685 10.715 1.00 31.12 C ATOM 1615 C ASP A 102 0.385 -2.209 10.595 1.00 74.12 C ATOM 1616 O ASP A 102 0.144 -2.967 11.536 1.00 54.40 O ATOM 1617 CB ASP A 102 0.984 -0.121 11.989 1.00 4.34 C ATOM 1618 CG ASP A 102 0.510 -0.753 13.295 1.00 33.35 C ATOM 1619 OD1 ASP A 102 -0.713 -0.725 13.582 1.00 20.44 O ATOM 1620 OD2 ASP A 102 1.375 -1.198 14.085 1.00 60.00 O ATOM 0 H ASP A 102 -1.679 -0.691 11.208 1.00 63.33 H new ATOM 0 HA ASP A 102 0.947 -0.297 9.900 1.00 31.12 H new ATOM 0 HB2 ASP A 102 2.064 -0.247 11.914 1.00 4.34 H new ATOM 0 HB3 ASP A 102 0.790 0.951 12.032 1.00 4.34 H new ATOM 1625 N LYS A 103 0.636 -2.646 9.364 1.00 72.14 N ATOM 1626 CA LYS A 103 0.755 -4.039 8.933 1.00 22.33 C ATOM 1627 C LYS A 103 1.890 -4.155 7.924 1.00 15.21 C ATOM 1628 O LYS A 103 2.468 -3.142 7.519 1.00 1.25 O ATOM 1629 CB LYS A 103 -0.572 -4.562 8.361 1.00 33.01 C ATOM 1630 CG LYS A 103 -0.970 -3.960 7.007 1.00 61.33 C ATOM 1631 CD LYS A 103 -1.422 -2.500 7.122 1.00 40.43 C ATOM 1632 CE LYS A 103 -2.246 -2.080 5.910 1.00 32.11 C ATOM 1633 NZ LYS A 103 -2.763 -0.714 6.089 1.00 72.03 N ATOM 0 H LYS A 103 0.771 -1.996 8.590 1.00 72.14 H new ATOM 0 HA LYS A 103 0.988 -4.663 9.796 1.00 22.33 H new ATOM 0 HB2 LYS A 103 -0.505 -5.645 8.256 1.00 33.01 H new ATOM 0 HB3 LYS A 103 -1.366 -4.360 9.080 1.00 33.01 H new ATOM 0 HG2 LYS A 103 -0.124 -4.022 6.323 1.00 61.33 H new ATOM 0 HG3 LYS A 103 -1.775 -4.553 6.572 1.00 61.33 H new ATOM 0 HD2 LYS A 103 -2.012 -2.370 8.029 1.00 40.43 H new ATOM 0 HD3 LYS A 103 -0.550 -1.853 7.214 1.00 40.43 H new ATOM 0 HE2 LYS A 103 -1.632 -2.128 5.011 1.00 32.11 H new ATOM 0 HE3 LYS A 103 -3.075 -2.774 5.768 1.00 32.11 H new ATOM 0 HZ1 LYS A 103 -3.430 -0.492 5.323 1.00 72.03 H new ATOM 0 HZ2 LYS A 103 -3.252 -0.645 7.004 1.00 72.03 H new ATOM 0 HZ3 LYS A 103 -1.973 -0.038 6.066 1.00 72.03 H new ATOM 1647 N ARG A 104 2.199 -5.376 7.478 1.00 32.15 N ATOM 1648 CA ARG A 104 3.342 -5.606 6.611 1.00 4.14 C ATOM 1649 C ARG A 104 2.877 -6.368 5.390 1.00 43.24 C ATOM 1650 O ARG A 104 2.588 -7.559 5.463 1.00 44.12 O ATOM 1651 CB ARG A 104 4.523 -6.271 7.347 1.00 61.30 C ATOM 1652 CG ARG A 104 4.847 -5.647 8.719 1.00 44.31 C ATOM 1653 CD ARG A 104 4.018 -6.219 9.886 1.00 41.54 C ATOM 1654 NE ARG A 104 4.447 -7.589 10.214 1.00 53.20 N ATOM 1655 CZ ARG A 104 5.233 -7.904 11.248 1.00 13.35 C ATOM 1656 NH1 ARG A 104 5.432 -7.060 12.248 1.00 41.50 N ATOM 1657 NH2 ARG A 104 5.823 -9.090 11.318 1.00 35.44 N ATOM 0 H ARG A 104 1.669 -6.217 7.707 1.00 32.15 H new ATOM 0 HA ARG A 104 3.747 -4.649 6.282 1.00 4.14 H new ATOM 0 HB2 ARG A 104 4.300 -7.329 7.485 1.00 61.30 H new ATOM 0 HB3 ARG A 104 5.409 -6.212 6.715 1.00 61.30 H new ATOM 0 HG2 ARG A 104 5.905 -5.797 8.933 1.00 44.31 H new ATOM 0 HG3 ARG A 104 4.682 -4.571 8.664 1.00 44.31 H new ATOM 0 HD2 ARG A 104 4.127 -5.580 10.762 1.00 41.54 H new ATOM 0 HD3 ARG A 104 2.961 -6.218 9.621 1.00 41.54 H new ATOM 0 HE ARG A 104 4.123 -8.347 9.613 1.00 53.20 H new ATOM 0 HH11 ARG A 104 4.981 -6.145 12.241 1.00 41.50 H new ATOM 0 HH12 ARG A 104 6.037 -7.324 13.026 1.00 41.50 H new ATOM 0 HH21 ARG A 104 5.679 -9.776 10.577 1.00 35.44 H new ATOM 0 HH22 ARG A 104 6.420 -9.316 12.113 1.00 35.44 H new ATOM 1671 N LEU A 105 2.693 -5.654 4.285 1.00 13.22 N ATOM 1672 CA LEU A 105 2.237 -6.223 3.031 1.00 52.24 C ATOM 1673 C LEU A 105 3.335 -7.151 2.575 1.00 61.04 C ATOM 1674 O LEU A 105 4.502 -6.757 2.527 1.00 70.41 O ATOM 1675 CB LEU A 105 1.919 -5.156 1.974 1.00 31.22 C ATOM 1676 CG LEU A 105 0.624 -4.375 2.267 1.00 1.31 C ATOM 1677 CD1 LEU A 105 0.805 -3.418 3.446 1.00 13.14 C ATOM 1678 CD2 LEU A 105 0.161 -3.570 1.048 1.00 32.25 C ATOM 0 H LEU A 105 2.860 -4.649 4.239 1.00 13.22 H new ATOM 0 HA LEU A 105 1.296 -6.755 3.173 1.00 52.24 H new ATOM 0 HB2 LEU A 105 2.752 -4.455 1.913 1.00 31.22 H new ATOM 0 HB3 LEU A 105 1.833 -5.635 0.999 1.00 31.22 H new ATOM 0 HG LEU A 105 -0.134 -5.118 2.515 1.00 1.31 H new ATOM 0 HD11 LEU A 105 -0.127 -2.883 3.626 1.00 13.14 H new ATOM 0 HD12 LEU A 105 1.076 -3.985 4.337 1.00 13.14 H new ATOM 0 HD13 LEU A 105 1.595 -2.703 3.217 1.00 13.14 H new ATOM 0 HD21 LEU A 105 -0.755 -3.033 1.293 1.00 32.25 H new ATOM 0 HD22 LEU A 105 0.936 -2.857 0.767 1.00 32.25 H new ATOM 0 HD23 LEU A 105 -0.028 -4.247 0.215 1.00 32.25 H new ATOM 1690 N GLU A 106 2.964 -8.381 2.254 1.00 54.14 N ATOM 1691 CA GLU A 106 3.842 -9.206 1.459 1.00 33.32 C ATOM 1692 C GLU A 106 3.554 -8.925 -0.001 1.00 32.12 C ATOM 1693 O GLU A 106 2.516 -8.367 -0.387 1.00 43.03 O ATOM 1694 CB GLU A 106 3.724 -10.686 1.830 1.00 50.13 C ATOM 1695 CG GLU A 106 4.456 -10.977 3.152 1.00 33.41 C ATOM 1696 CD GLU A 106 5.008 -12.403 3.183 1.00 33.45 C ATOM 1697 OE1 GLU A 106 4.218 -13.352 2.979 1.00 64.33 O ATOM 1698 OE2 GLU A 106 6.230 -12.571 3.412 1.00 73.01 O ATOM 0 H GLU A 106 2.083 -8.816 2.526 1.00 54.14 H new ATOM 0 HA GLU A 106 4.883 -8.956 1.662 1.00 33.32 H new ATOM 0 HB2 GLU A 106 2.673 -10.960 1.923 1.00 50.13 H new ATOM 0 HB3 GLU A 106 4.144 -11.300 1.033 1.00 50.13 H new ATOM 0 HG2 GLU A 106 5.272 -10.266 3.281 1.00 33.41 H new ATOM 0 HG3 GLU A 106 3.772 -10.832 3.988 1.00 33.41 H new ATOM 1705 N LYS A 107 4.512 -9.328 -0.824 1.00 11.31 N ATOM 1706 CA LYS A 107 4.322 -9.406 -2.251 1.00 71.34 C ATOM 1707 C LYS A 107 3.059 -10.217 -2.519 1.00 32.42 C ATOM 1708 O LYS A 107 2.707 -11.102 -1.739 1.00 41.03 O ATOM 1709 CB LYS A 107 5.547 -10.096 -2.854 1.00 2.12 C ATOM 1710 CG LYS A 107 5.830 -9.581 -4.269 1.00 30.43 C ATOM 1711 CD LYS A 107 6.565 -8.233 -4.182 1.00 43.03 C ATOM 1712 CE LYS A 107 6.027 -7.228 -5.192 1.00 14.34 C ATOM 1713 NZ LYS A 107 6.729 -7.247 -6.493 1.00 2.01 N ATOM 0 H LYS A 107 5.442 -9.609 -0.512 1.00 11.31 H new ATOM 0 HA LYS A 107 4.211 -8.418 -2.698 1.00 71.34 H new ATOM 0 HB2 LYS A 107 6.416 -9.921 -2.220 1.00 2.12 H new ATOM 0 HB3 LYS A 107 5.384 -11.173 -2.882 1.00 2.12 H new ATOM 0 HG2 LYS A 107 6.435 -10.303 -4.817 1.00 30.43 H new ATOM 0 HG3 LYS A 107 4.896 -9.464 -4.819 1.00 30.43 H new ATOM 0 HD2 LYS A 107 6.462 -7.827 -3.176 1.00 43.03 H new ATOM 0 HD3 LYS A 107 7.630 -8.388 -4.356 1.00 43.03 H new ATOM 0 HE2 LYS A 107 4.969 -7.428 -5.359 1.00 14.34 H new ATOM 0 HE3 LYS A 107 6.099 -6.227 -4.767 1.00 14.34 H new ATOM 0 HZ1 LYS A 107 6.401 -6.451 -7.076 1.00 2.01 H new ATOM 0 HZ2 LYS A 107 7.754 -7.162 -6.336 1.00 2.01 H new ATOM 0 HZ3 LYS A 107 6.527 -8.142 -6.983 1.00 2.01 H new ATOM 1727 N TYR A 108 2.382 -9.937 -3.626 1.00 30.13 N ATOM 1728 CA TYR A 108 1.264 -10.750 -4.066 1.00 11.33 C ATOM 1729 C TYR A 108 1.761 -12.179 -4.301 1.00 41.02 C ATOM 1730 O TYR A 108 2.494 -12.436 -5.263 1.00 61.43 O ATOM 1731 CB TYR A 108 0.655 -10.100 -5.302 1.00 24.55 C ATOM 1732 CG TYR A 108 -0.585 -10.769 -5.843 1.00 24.23 C ATOM 1733 CD1 TYR A 108 -1.805 -10.626 -5.159 1.00 71.10 C ATOM 1734 CD2 TYR A 108 -0.529 -11.493 -7.048 1.00 31.43 C ATOM 1735 CE1 TYR A 108 -2.971 -11.218 -5.675 1.00 64.43 C ATOM 1736 CE2 TYR A 108 -1.686 -12.098 -7.564 1.00 74.22 C ATOM 1737 CZ TYR A 108 -2.914 -11.956 -6.881 1.00 21.21 C ATOM 1738 OH TYR A 108 -4.021 -12.567 -7.376 1.00 4.33 O ATOM 0 H TYR A 108 2.593 -9.147 -4.236 1.00 30.13 H new ATOM 0 HA TYR A 108 0.475 -10.811 -3.316 1.00 11.33 H new ATOM 0 HB2 TYR A 108 0.414 -9.064 -5.065 1.00 24.55 H new ATOM 0 HB3 TYR A 108 1.409 -10.080 -6.089 1.00 24.55 H new ATOM 0 HD1 TYR A 108 -1.846 -10.062 -4.239 1.00 71.10 H new ATOM 0 HD2 TYR A 108 0.408 -11.584 -7.578 1.00 31.43 H new ATOM 0 HE1 TYR A 108 -3.909 -11.110 -5.151 1.00 64.43 H new ATOM 0 HE2 TYR A 108 -1.637 -12.669 -8.479 1.00 74.22 H new ATOM 0 HH TYR A 108 -3.795 -13.026 -8.212 1.00 4.33 H new ATOM 1748 N ASN A 109 1.437 -13.075 -3.365 1.00 43.24 N ATOM 1749 CA ASN A 109 1.773 -14.488 -3.376 1.00 5.01 C ATOM 1750 C ASN A 109 0.861 -15.134 -4.409 1.00 12.41 C ATOM 1751 O ASN A 109 -0.284 -15.482 -4.116 1.00 45.12 O ATOM 1752 CB ASN A 109 1.637 -15.138 -1.986 1.00 62.13 C ATOM 1753 CG ASN A 109 2.901 -15.052 -1.143 1.00 13.23 C ATOM 1754 OD1 ASN A 109 3.668 -14.093 -1.219 1.00 31.43 O ATOM 1755 ND2 ASN A 109 3.109 -16.022 -0.277 1.00 34.42 N ATOM 0 H ASN A 109 0.904 -12.812 -2.536 1.00 43.24 H new ATOM 0 HA ASN A 109 2.821 -14.632 -3.640 1.00 5.01 H new ATOM 0 HB2 ASN A 109 0.819 -14.658 -1.449 1.00 62.13 H new ATOM 0 HB3 ASN A 109 1.364 -16.186 -2.110 1.00 62.13 H new ATOM 0 HD21 ASN A 109 3.917 -15.986 0.345 1.00 34.42 H new ATOM 0 HD22 ASN A 109 2.462 -16.809 -0.228 1.00 34.42 H new ATOM 1762 N ASP A 110 1.331 -15.131 -5.648 1.00 25.23 N ATOM 1763 CA ASP A 110 0.604 -15.485 -6.861 1.00 30.33 C ATOM 1764 C ASP A 110 0.686 -16.986 -7.110 1.00 70.54 C ATOM 1765 O ASP A 110 -0.057 -17.725 -6.437 1.00 12.43 O ATOM 1766 CB ASP A 110 1.191 -14.660 -8.011 1.00 12.42 C ATOM 1767 CG ASP A 110 0.343 -14.678 -9.280 1.00 22.13 C ATOM 1768 OD1 ASP A 110 -0.747 -15.286 -9.333 1.00 3.35 O ATOM 1769 OD2 ASP A 110 0.740 -13.943 -10.221 1.00 1.01 O ATOM 0 H ASP A 110 2.295 -14.863 -5.847 1.00 25.23 H new ATOM 0 HA ASP A 110 -0.457 -15.254 -6.768 1.00 30.33 H new ATOM 0 HB2 ASP A 110 1.311 -13.628 -7.681 1.00 12.42 H new ATOM 0 HB3 ASP A 110 2.186 -15.038 -8.245 1.00 12.42 H new TER 1774 ASP A 110