USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1051 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 72 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 102 TYR OH : rot 130:sc= -0.198 USER MOD Set 2.1: A 58 SER OG : rot 1:sc= 0.199 USER MOD Set 2.2: A 67 MET CE :methyl -121:sc= -0.288 (180deg=-0.964) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.337 X(o=0.049,f=-0.42) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.289 K(o=0.049,f=-3.5!) USER MOD Set 4.1: A 9 THR OG1 : rot 65:sc= 0.37 USER MOD Set 4.2: A 83 GLN : amide:sc= -0.808 K(o=-0.44,f=-1.4) USER MOD Set 5.1: A 2 LYS NZ :NH3+ 158:sc= -0.0252 (180deg=-0.115) USER MOD Set 5.2: A 76 TYR OH : rot -137:sc= -0.496 USER MOD Single : A 8 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.069) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.729 X(o=-0.73,f=-0.36) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0.349 (180deg=-0.173) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= 0.0233 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.24) USER MOD Single : A 25 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.63) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 28 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.7!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -146:sc= -0.475 (180deg=-2.8) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc=-0.00407 (180deg=-0.074) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 1.08 (180deg=0.716) USER MOD Single : A 50 ASN : amide:sc= -0.0932 K(o=-0.093,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 1.01 (180deg=0.572) USER MOD Single : A 61 LYS NZ :NH3+ 145:sc= 1.13 (180deg=-0.242) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 148:sc= 1.16 (180deg=0.448) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -168:sc= 0.347 (180deg=0.273) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc=-0.00291 X(o=-0.0029,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -113:sc= 0.551 (180deg=-0.641) USER MOD Single : A 96 LYS NZ :NH3+ -116:sc= 0.487 (180deg=0.0293) USER MOD Single : A 99 SER OG : rot 76:sc= 0.173 USER MOD Single : A 100 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.65) USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.171) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -128:sc= -0.193 (180deg=-0.621) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.093 7.850 2.801 1.00 15.53 N ATOM 21 CA LYS A 2 -11.773 6.498 2.335 1.00 43.44 C ATOM 22 C LYS A 2 -10.269 6.310 2.589 1.00 23.23 C ATOM 23 O LYS A 2 -9.469 7.117 2.109 1.00 65.32 O ATOM 24 CB LYS A 2 -12.103 6.380 0.814 1.00 52.10 C ATOM 25 CG LYS A 2 -12.205 4.955 0.224 1.00 51.23 C ATOM 26 CD LYS A 2 -13.522 4.229 0.590 1.00 61.24 C ATOM 27 CE LYS A 2 -14.789 5.024 0.197 1.00 15.43 C ATOM 28 NZ LYS A 2 -14.786 5.500 -1.225 1.00 51.00 N ATOM 0 HA LYS A 2 -12.352 5.734 2.853 1.00 43.44 H new ATOM 0 HB2 LYS A 2 -13.049 6.890 0.633 1.00 52.10 H new ATOM 0 HB3 LYS A 2 -11.337 6.922 0.259 1.00 52.10 H new ATOM 0 HG2 LYS A 2 -12.120 5.013 -0.861 1.00 51.23 H new ATOM 0 HG3 LYS A 2 -11.362 4.362 0.578 1.00 51.23 H new ATOM 0 HD2 LYS A 2 -13.543 3.258 0.095 1.00 61.24 H new ATOM 0 HD3 LYS A 2 -13.538 4.040 1.663 1.00 61.24 H new ATOM 0 HE2 LYS A 2 -15.665 4.396 0.359 1.00 15.43 H new ATOM 0 HE3 LYS A 2 -14.887 5.885 0.859 1.00 15.43 H new ATOM 0 HZ1 LYS A 2 -15.763 5.682 -1.532 1.00 51.00 H new ATOM 0 HZ2 LYS A 2 -14.232 6.377 -1.296 1.00 51.00 H new ATOM 0 HZ3 LYS A 2 -14.362 4.772 -1.834 1.00 51.00 H new ATOM 42 N GLU A 3 -9.885 5.304 3.389 1.00 21.35 N ATOM 43 CA GLU A 3 -8.474 5.053 3.720 1.00 63.23 C ATOM 44 C GLU A 3 -7.904 4.000 2.768 1.00 41.32 C ATOM 45 O GLU A 3 -8.497 2.930 2.571 1.00 11.44 O ATOM 46 CB GLU A 3 -8.294 4.622 5.201 1.00 3.10 C ATOM 47 CG GLU A 3 -8.659 5.714 6.244 1.00 31.00 C ATOM 48 CD GLU A 3 -10.121 5.713 6.743 1.00 62.23 C ATOM 49 OE1 GLU A 3 -11.058 5.691 5.918 1.00 11.41 O ATOM 50 OE2 GLU A 3 -10.341 5.716 7.977 1.00 31.44 O ATOM 0 H GLU A 3 -10.536 4.648 3.821 1.00 21.35 H new ATOM 0 HA GLU A 3 -7.922 5.985 3.595 1.00 63.23 H new ATOM 0 HB2 GLU A 3 -8.909 3.742 5.386 1.00 3.10 H new ATOM 0 HB3 GLU A 3 -7.257 4.324 5.355 1.00 3.10 H new ATOM 0 HG2 GLU A 3 -8.002 5.599 7.106 1.00 31.00 H new ATOM 0 HG3 GLU A 3 -8.445 6.690 5.808 1.00 31.00 H new ATOM 57 N LEU A 4 -6.770 4.337 2.155 1.00 75.33 N ATOM 58 CA LEU A 4 -6.083 3.489 1.187 1.00 52.34 C ATOM 59 C LEU A 4 -4.658 3.275 1.696 1.00 3.41 C ATOM 60 O LEU A 4 -3.871 4.219 1.734 1.00 13.13 O ATOM 61 CB LEU A 4 -6.060 4.149 -0.238 1.00 1.12 C ATOM 62 CG LEU A 4 -7.403 4.201 -1.045 1.00 34.51 C ATOM 63 CD1 LEU A 4 -8.037 2.815 -1.126 1.00 23.35 C ATOM 64 CD2 LEU A 4 -8.390 5.241 -0.489 1.00 32.33 C ATOM 0 H LEU A 4 -6.296 5.224 2.322 1.00 75.33 H new ATOM 0 HA LEU A 4 -6.608 2.539 1.088 1.00 52.34 H new ATOM 0 HB2 LEU A 4 -5.697 5.171 -0.127 1.00 1.12 H new ATOM 0 HB3 LEU A 4 -5.327 3.614 -0.842 1.00 1.12 H new ATOM 0 HG LEU A 4 -7.157 4.526 -2.056 1.00 34.51 H new ATOM 0 HD11 LEU A 4 -8.968 2.873 -1.690 1.00 23.35 H new ATOM 0 HD12 LEU A 4 -7.352 2.130 -1.626 1.00 23.35 H new ATOM 0 HD13 LEU A 4 -8.245 2.450 -0.120 1.00 23.35 H new ATOM 0 HD21 LEU A 4 -9.302 5.233 -1.086 1.00 32.33 H new ATOM 0 HD22 LEU A 4 -8.632 4.997 0.545 1.00 32.33 H new ATOM 0 HD23 LEU A 4 -7.937 6.232 -0.531 1.00 32.33 H new ATOM 76 N ILE A 5 -4.350 2.041 2.121 1.00 65.52 N ATOM 77 CA ILE A 5 -2.974 1.628 2.442 1.00 30.22 C ATOM 78 C ILE A 5 -2.399 0.907 1.222 1.00 53.32 C ATOM 79 O ILE A 5 -3.006 -0.028 0.709 1.00 12.33 O ATOM 80 CB ILE A 5 -2.886 0.714 3.723 1.00 71.34 C ATOM 81 CG1 ILE A 5 -1.414 0.246 3.982 1.00 42.44 C ATOM 82 CG2 ILE A 5 -3.865 -0.476 3.638 1.00 34.22 C ATOM 83 CD1 ILE A 5 -1.219 -0.650 5.198 1.00 31.13 C ATOM 0 H ILE A 5 -5.043 1.304 2.252 1.00 65.52 H new ATOM 0 HA ILE A 5 -2.392 2.519 2.677 1.00 30.22 H new ATOM 0 HB ILE A 5 -3.191 1.313 4.581 1.00 71.34 H new ATOM 0 HG12 ILE A 5 -1.059 -0.286 3.099 1.00 42.44 H new ATOM 0 HG13 ILE A 5 -0.785 1.129 4.097 1.00 42.44 H new ATOM 0 HG21 ILE A 5 -3.777 -1.085 4.538 1.00 34.22 H new ATOM 0 HG22 ILE A 5 -4.885 -0.102 3.551 1.00 34.22 H new ATOM 0 HG23 ILE A 5 -3.625 -1.083 2.765 1.00 34.22 H new ATOM 0 HD11 ILE A 5 -0.166 -0.917 5.288 1.00 31.13 H new ATOM 0 HD12 ILE A 5 -1.536 -0.119 6.096 1.00 31.13 H new ATOM 0 HD13 ILE A 5 -1.815 -1.555 5.082 1.00 31.13 H new ATOM 95 N LEU A 6 -1.255 1.381 0.737 1.00 34.30 N ATOM 96 CA LEU A 6 -0.570 0.800 -0.416 1.00 63.43 C ATOM 97 C LEU A 6 0.668 0.051 0.099 1.00 42.31 C ATOM 98 O LEU A 6 1.482 0.635 0.794 1.00 54.52 O ATOM 99 CB LEU A 6 -0.183 1.902 -1.446 1.00 21.12 C ATOM 100 CG LEU A 6 -1.357 2.722 -2.100 1.00 43.30 C ATOM 101 CD1 LEU A 6 -1.972 3.763 -1.135 1.00 35.52 C ATOM 102 CD2 LEU A 6 -0.902 3.402 -3.410 1.00 34.23 C ATOM 0 H LEU A 6 -0.772 2.186 1.136 1.00 34.30 H new ATOM 0 HA LEU A 6 -1.229 0.105 -0.937 1.00 63.43 H new ATOM 0 HB2 LEU A 6 0.486 2.606 -0.951 1.00 21.12 H new ATOM 0 HB3 LEU A 6 0.386 1.430 -2.247 1.00 21.12 H new ATOM 0 HG LEU A 6 -2.140 2.000 -2.333 1.00 43.30 H new ATOM 0 HD11 LEU A 6 -2.776 4.298 -1.641 1.00 35.52 H new ATOM 0 HD12 LEU A 6 -2.370 3.254 -0.257 1.00 35.52 H new ATOM 0 HD13 LEU A 6 -1.203 4.472 -0.826 1.00 35.52 H new ATOM 0 HD21 LEU A 6 -1.734 3.961 -3.838 1.00 34.23 H new ATOM 0 HD22 LEU A 6 -0.078 4.084 -3.199 1.00 34.23 H new ATOM 0 HD23 LEU A 6 -0.572 2.642 -4.119 1.00 34.23 H new ATOM 114 N ILE A 7 0.767 -1.252 -0.185 1.00 51.10 N ATOM 115 CA ILE A 7 1.911 -2.082 0.228 1.00 11.45 C ATOM 116 C ILE A 7 2.842 -2.267 -0.982 1.00 25.04 C ATOM 117 O ILE A 7 2.372 -2.369 -2.123 1.00 2.24 O ATOM 118 CB ILE A 7 1.464 -3.498 0.801 1.00 75.23 C ATOM 119 CG1 ILE A 7 0.696 -3.383 2.162 1.00 41.02 C ATOM 120 CG2 ILE A 7 2.668 -4.454 0.980 1.00 25.02 C ATOM 121 CD1 ILE A 7 -0.673 -2.761 2.096 1.00 21.23 C ATOM 0 H ILE A 7 0.057 -1.764 -0.708 1.00 51.10 H new ATOM 0 HA ILE A 7 2.430 -1.570 1.039 1.00 11.45 H new ATOM 0 HB ILE A 7 0.785 -3.911 0.055 1.00 75.23 H new ATOM 0 HG12 ILE A 7 0.599 -4.382 2.588 1.00 41.02 H new ATOM 0 HG13 ILE A 7 1.306 -2.800 2.852 1.00 41.02 H new ATOM 0 HG21 ILE A 7 2.319 -5.409 1.373 1.00 25.02 H new ATOM 0 HG22 ILE A 7 3.152 -4.613 0.017 1.00 25.02 H new ATOM 0 HG23 ILE A 7 3.382 -4.014 1.677 1.00 25.02 H new ATOM 0 HD11 ILE A 7 -1.109 -2.734 3.095 1.00 21.23 H new ATOM 0 HD12 ILE A 7 -0.593 -1.746 1.707 1.00 21.23 H new ATOM 0 HD13 ILE A 7 -1.310 -3.352 1.438 1.00 21.23 H new ATOM 133 N ASN A 8 4.158 -2.294 -0.722 1.00 65.15 N ATOM 134 CA ASN A 8 5.170 -2.627 -1.728 1.00 51.53 C ATOM 135 C ASN A 8 5.930 -3.869 -1.280 1.00 73.33 C ATOM 136 O ASN A 8 6.683 -3.827 -0.296 1.00 21.33 O ATOM 137 CB ASN A 8 6.166 -1.470 -1.944 1.00 55.45 C ATOM 138 CG ASN A 8 7.120 -1.743 -3.112 1.00 2.45 C ATOM 139 OD1 ASN A 8 8.260 -2.170 -2.923 1.00 71.15 O ATOM 140 ND2 ASN A 8 6.630 -1.557 -4.333 1.00 5.44 N ATOM 0 H ASN A 8 4.549 -2.084 0.197 1.00 65.15 H new ATOM 0 HA ASN A 8 4.659 -2.810 -2.673 1.00 51.53 H new ATOM 0 HB2 ASN A 8 5.615 -0.549 -2.134 1.00 55.45 H new ATOM 0 HB3 ASN A 8 6.744 -1.314 -1.033 1.00 55.45 H new ATOM 0 HD21 ASN A 8 7.202 -1.769 -5.150 1.00 5.44 H new ATOM 0 HD22 ASN A 8 5.681 -1.202 -4.453 1.00 5.44 H new ATOM 147 N THR A 9 5.681 -4.972 -1.977 1.00 25.14 N ATOM 148 CA THR A 9 6.448 -6.200 -1.843 1.00 22.13 C ATOM 149 C THR A 9 6.515 -6.884 -3.219 1.00 62.10 C ATOM 150 O THR A 9 5.484 -7.124 -3.855 1.00 24.34 O ATOM 151 CB THR A 9 5.865 -7.152 -0.732 1.00 72.51 C ATOM 152 OG1 THR A 9 6.498 -8.443 -0.782 1.00 4.11 O ATOM 153 CG2 THR A 9 4.343 -7.304 -0.808 1.00 11.44 C ATOM 0 H THR A 9 4.928 -5.037 -2.662 1.00 25.14 H new ATOM 0 HA THR A 9 7.457 -5.958 -1.510 1.00 22.13 H new ATOM 0 HB THR A 9 6.087 -6.677 0.224 1.00 72.51 H new ATOM 0 HG1 THR A 9 7.447 -8.351 -0.554 1.00 4.11 H new ATOM 0 HG21 THR A 9 4.004 -7.972 -0.016 1.00 11.44 H new ATOM 0 HG22 THR A 9 3.873 -6.328 -0.685 1.00 11.44 H new ATOM 0 HG23 THR A 9 4.067 -7.720 -1.777 1.00 11.44 H new ATOM 161 N ASN A 10 7.743 -7.123 -3.699 1.00 70.21 N ATOM 162 CA ASN A 10 8.000 -7.890 -4.934 1.00 62.51 C ATOM 163 C ASN A 10 8.057 -9.398 -4.595 1.00 34.10 C ATOM 164 O ASN A 10 7.992 -10.251 -5.488 1.00 14.21 O ATOM 165 CB ASN A 10 9.321 -7.398 -5.587 1.00 25.04 C ATOM 166 CG ASN A 10 9.604 -8.007 -6.965 1.00 72.43 C ATOM 167 OD1 ASN A 10 9.156 -7.488 -7.986 1.00 32.13 O ATOM 168 ND2 ASN A 10 10.347 -9.104 -7.008 1.00 2.34 N ATOM 0 H ASN A 10 8.592 -6.790 -3.242 1.00 70.21 H new ATOM 0 HA ASN A 10 7.195 -7.733 -5.652 1.00 62.51 H new ATOM 0 HB2 ASN A 10 9.284 -6.313 -5.682 1.00 25.04 H new ATOM 0 HB3 ASN A 10 10.152 -7.632 -4.921 1.00 25.04 H new ATOM 0 HD21 ASN A 10 10.561 -9.540 -7.905 1.00 2.34 H new ATOM 0 HD22 ASN A 10 10.705 -9.512 -6.144 1.00 2.34 H new ATOM 175 N ASN A 11 8.156 -9.707 -3.277 1.00 3.44 N ATOM 176 CA ASN A 11 8.215 -11.085 -2.776 1.00 0.13 C ATOM 177 C ASN A 11 6.815 -11.730 -2.845 1.00 2.23 C ATOM 178 O ASN A 11 5.942 -11.419 -2.026 1.00 31.35 O ATOM 179 CB ASN A 11 8.785 -11.113 -1.324 1.00 15.14 C ATOM 180 CG ASN A 11 8.899 -12.522 -0.727 1.00 63.04 C ATOM 181 OD1 ASN A 11 9.071 -13.510 -1.444 1.00 54.52 O ATOM 182 ND2 ASN A 11 8.796 -12.625 0.588 1.00 44.41 N ATOM 0 H ASN A 11 8.196 -9.002 -2.541 1.00 3.44 H new ATOM 0 HA ASN A 11 8.888 -11.667 -3.406 1.00 0.13 H new ATOM 0 HB2 ASN A 11 9.771 -10.648 -1.322 1.00 15.14 H new ATOM 0 HB3 ASN A 11 8.146 -10.508 -0.682 1.00 15.14 H new ATOM 0 HD21 ASN A 11 8.859 -13.540 1.034 1.00 44.41 H new ATOM 0 HD22 ASN A 11 8.654 -11.789 1.155 1.00 44.41 H new ATOM 189 N ASP A 12 6.628 -12.590 -3.871 1.00 75.33 N ATOM 190 CA ASP A 12 5.397 -13.389 -4.106 1.00 21.33 C ATOM 191 C ASP A 12 4.875 -14.049 -2.820 1.00 2.45 C ATOM 192 O ASP A 12 3.680 -13.992 -2.533 1.00 10.00 O ATOM 193 CB ASP A 12 5.665 -14.489 -5.168 1.00 23.23 C ATOM 194 CG ASP A 12 5.963 -13.933 -6.570 1.00 30.12 C ATOM 195 OD1 ASP A 12 7.053 -13.365 -6.773 1.00 64.51 O ATOM 196 OD2 ASP A 12 5.104 -14.050 -7.469 1.00 71.21 O ATOM 0 H ASP A 12 7.345 -12.754 -4.578 1.00 75.33 H new ATOM 0 HA ASP A 12 4.635 -12.697 -4.464 1.00 21.33 H new ATOM 0 HB2 ASP A 12 6.507 -15.099 -4.842 1.00 23.23 H new ATOM 0 HB3 ASP A 12 4.798 -15.147 -5.224 1.00 23.23 H new ATOM 201 N GLU A 13 5.803 -14.642 -2.051 1.00 52.25 N ATOM 202 CA GLU A 13 5.493 -15.382 -0.813 1.00 62.11 C ATOM 203 C GLU A 13 4.861 -14.467 0.246 1.00 70.12 C ATOM 204 O GLU A 13 3.902 -14.855 0.924 1.00 32.43 O ATOM 205 CB GLU A 13 6.788 -16.028 -0.262 1.00 44.51 C ATOM 206 CG GLU A 13 7.535 -16.927 -1.272 1.00 20.02 C ATOM 207 CD GLU A 13 6.669 -18.083 -1.802 1.00 41.21 C ATOM 208 OE1 GLU A 13 6.537 -19.114 -1.105 1.00 33.44 O ATOM 209 OE2 GLU A 13 6.095 -17.960 -2.909 1.00 21.41 O ATOM 0 H GLU A 13 6.799 -14.622 -2.272 1.00 52.25 H new ATOM 0 HA GLU A 13 4.767 -16.160 -1.049 1.00 62.11 H new ATOM 0 HB2 GLU A 13 7.461 -15.237 0.069 1.00 44.51 H new ATOM 0 HB3 GLU A 13 6.537 -16.621 0.617 1.00 44.51 H new ATOM 0 HG2 GLU A 13 7.873 -16.319 -2.111 1.00 20.02 H new ATOM 0 HG3 GLU A 13 8.426 -17.336 -0.796 1.00 20.02 H new ATOM 216 N LEU A 14 5.407 -13.244 0.365 1.00 34.12 N ATOM 217 CA LEU A 14 4.908 -12.246 1.323 1.00 54.11 C ATOM 218 C LEU A 14 3.522 -11.732 0.902 1.00 44.23 C ATOM 219 O LEU A 14 2.678 -11.513 1.772 1.00 2.03 O ATOM 220 CB LEU A 14 5.913 -11.079 1.490 1.00 25.14 C ATOM 221 CG LEU A 14 5.527 -9.974 2.530 1.00 12.22 C ATOM 222 CD1 LEU A 14 5.202 -10.563 3.920 1.00 52.42 C ATOM 223 CD2 LEU A 14 6.630 -8.916 2.644 1.00 24.32 C ATOM 0 H LEU A 14 6.198 -12.923 -0.194 1.00 34.12 H new ATOM 0 HA LEU A 14 4.806 -12.732 2.293 1.00 54.11 H new ATOM 0 HB2 LEU A 14 6.878 -11.497 1.777 1.00 25.14 H new ATOM 0 HB3 LEU A 14 6.048 -10.603 0.519 1.00 25.14 H new ATOM 0 HG LEU A 14 4.620 -9.498 2.158 1.00 12.22 H new ATOM 0 HD11 LEU A 14 4.941 -9.756 4.605 1.00 52.42 H new ATOM 0 HD12 LEU A 14 4.363 -11.254 3.835 1.00 52.42 H new ATOM 0 HD13 LEU A 14 6.073 -11.095 4.302 1.00 52.42 H new ATOM 0 HD21 LEU A 14 6.336 -8.161 3.373 1.00 24.32 H new ATOM 0 HD22 LEU A 14 7.557 -9.390 2.967 1.00 24.32 H new ATOM 0 HD23 LEU A 14 6.783 -8.444 1.674 1.00 24.32 H new ATOM 235 N ILE A 15 3.284 -11.584 -0.432 1.00 54.52 N ATOM 236 CA ILE A 15 1.959 -11.169 -0.967 1.00 25.22 C ATOM 237 C ILE A 15 0.859 -12.102 -0.406 1.00 63.51 C ATOM 238 O ILE A 15 -0.179 -11.639 0.068 1.00 14.31 O ATOM 239 CB ILE A 15 1.854 -11.231 -2.548 1.00 40.02 C ATOM 240 CG1 ILE A 15 3.047 -10.525 -3.280 1.00 23.41 C ATOM 241 CG2 ILE A 15 0.496 -10.640 -3.006 1.00 41.43 C ATOM 242 CD1 ILE A 15 2.903 -9.033 -3.495 1.00 55.02 C ATOM 0 H ILE A 15 3.989 -11.745 -1.151 1.00 54.52 H new ATOM 0 HA ILE A 15 1.831 -10.132 -0.657 1.00 25.22 H new ATOM 0 HB ILE A 15 1.913 -12.282 -2.831 1.00 40.02 H new ATOM 0 HG12 ILE A 15 3.956 -10.703 -2.706 1.00 23.41 H new ATOM 0 HG13 ILE A 15 3.184 -11.001 -4.251 1.00 23.41 H new ATOM 0 HG21 ILE A 15 0.428 -10.684 -4.093 1.00 41.43 H new ATOM 0 HG22 ILE A 15 -0.318 -11.217 -2.567 1.00 41.43 H new ATOM 0 HG23 ILE A 15 0.422 -9.603 -2.680 1.00 41.43 H new ATOM 0 HD11 ILE A 15 3.786 -8.653 -4.009 1.00 55.02 H new ATOM 0 HD12 ILE A 15 2.018 -8.836 -4.100 1.00 55.02 H new ATOM 0 HD13 ILE A 15 2.802 -8.535 -2.531 1.00 55.02 H new ATOM 254 N LYS A 16 1.159 -13.420 -0.447 1.00 71.51 N ATOM 255 CA LYS A 16 0.229 -14.493 -0.043 1.00 74.13 C ATOM 256 C LYS A 16 -0.204 -14.316 1.419 1.00 33.45 C ATOM 257 O LYS A 16 -1.393 -14.407 1.756 1.00 62.34 O ATOM 258 CB LYS A 16 0.889 -15.902 -0.201 1.00 71.34 C ATOM 259 CG LYS A 16 1.614 -16.164 -1.538 1.00 24.44 C ATOM 260 CD LYS A 16 0.744 -15.892 -2.783 1.00 32.24 C ATOM 261 CE LYS A 16 1.487 -16.177 -4.095 1.00 42.25 C ATOM 262 NZ LYS A 16 0.685 -15.776 -5.278 1.00 4.33 N ATOM 0 H LYS A 16 2.063 -13.769 -0.765 1.00 71.51 H new ATOM 0 HA LYS A 16 -0.641 -14.427 -0.696 1.00 74.13 H new ATOM 0 HB2 LYS A 16 1.604 -16.039 0.610 1.00 71.34 H new ATOM 0 HB3 LYS A 16 0.115 -16.660 -0.076 1.00 71.34 H new ATOM 0 HG2 LYS A 16 2.505 -15.538 -1.586 1.00 24.44 H new ATOM 0 HG3 LYS A 16 1.950 -17.201 -1.561 1.00 24.44 H new ATOM 0 HD2 LYS A 16 -0.153 -16.509 -2.736 1.00 32.24 H new ATOM 0 HD3 LYS A 16 0.417 -14.852 -2.773 1.00 32.24 H new ATOM 0 HE2 LYS A 16 2.436 -15.641 -4.100 1.00 42.25 H new ATOM 0 HE3 LYS A 16 1.721 -17.240 -4.157 1.00 42.25 H new ATOM 0 HZ1 LYS A 16 1.219 -15.984 -6.146 1.00 4.33 H new ATOM 0 HZ2 LYS A 16 -0.210 -16.306 -5.287 1.00 4.33 H new ATOM 0 HZ3 LYS A 16 0.483 -14.757 -5.231 1.00 4.33 H new ATOM 276 N LYS A 17 0.800 -14.051 2.270 1.00 15.31 N ATOM 277 CA LYS A 17 0.632 -13.955 3.725 1.00 64.34 C ATOM 278 C LYS A 17 -0.098 -12.666 4.111 1.00 3.32 C ATOM 279 O LYS A 17 -0.888 -12.665 5.052 1.00 42.43 O ATOM 280 CB LYS A 17 2.010 -14.033 4.415 1.00 10.10 C ATOM 281 CG LYS A 17 2.821 -15.293 4.042 1.00 41.11 C ATOM 282 CD LYS A 17 4.176 -15.378 4.768 1.00 61.32 C ATOM 283 CE LYS A 17 4.026 -15.569 6.287 1.00 25.50 C ATOM 284 NZ LYS A 17 5.336 -15.594 6.971 1.00 34.23 N ATOM 0 H LYS A 17 1.760 -13.896 1.962 1.00 15.31 H new ATOM 0 HA LYS A 17 0.020 -14.792 4.062 1.00 64.34 H new ATOM 0 HB2 LYS A 17 2.589 -13.148 4.151 1.00 10.10 H new ATOM 0 HB3 LYS A 17 1.867 -14.010 5.495 1.00 10.10 H new ATOM 0 HG2 LYS A 17 2.233 -16.179 4.279 1.00 41.11 H new ATOM 0 HG3 LYS A 17 2.992 -15.302 2.965 1.00 41.11 H new ATOM 0 HD2 LYS A 17 4.752 -16.207 4.357 1.00 61.32 H new ATOM 0 HD3 LYS A 17 4.744 -14.468 4.575 1.00 61.32 H new ATOM 0 HE2 LYS A 17 3.418 -14.762 6.696 1.00 25.50 H new ATOM 0 HE3 LYS A 17 3.495 -16.500 6.485 1.00 25.50 H new ATOM 0 HZ1 LYS A 17 5.293 -16.247 7.779 1.00 34.23 H new ATOM 0 HZ2 LYS A 17 6.069 -15.914 6.306 1.00 34.23 H new ATOM 0 HZ3 LYS A 17 5.569 -14.639 7.310 1.00 34.23 H new ATOM 298 N ILE A 18 0.168 -11.573 3.362 1.00 21.44 N ATOM 299 CA ILE A 18 -0.525 -10.289 3.556 1.00 62.13 C ATOM 300 C ILE A 18 -2.015 -10.465 3.254 1.00 42.02 C ATOM 301 O ILE A 18 -2.838 -10.070 4.061 1.00 71.12 O ATOM 302 CB ILE A 18 0.089 -9.123 2.688 1.00 72.00 C ATOM 303 CG1 ILE A 18 1.577 -8.885 3.093 1.00 60.55 C ATOM 304 CG2 ILE A 18 -0.736 -7.808 2.810 1.00 4.43 C ATOM 305 CD1 ILE A 18 2.312 -7.828 2.285 1.00 44.33 C ATOM 0 H ILE A 18 0.862 -11.559 2.615 1.00 21.44 H new ATOM 0 HA ILE A 18 -0.390 -9.995 4.597 1.00 62.13 H new ATOM 0 HB ILE A 18 0.048 -9.427 1.642 1.00 72.00 H new ATOM 0 HG12 ILE A 18 1.608 -8.601 4.145 1.00 60.55 H new ATOM 0 HG13 ILE A 18 2.116 -9.828 3.001 1.00 60.55 H new ATOM 0 HG21 ILE A 18 -0.277 -7.033 2.196 1.00 4.43 H new ATOM 0 HG22 ILE A 18 -1.756 -7.985 2.469 1.00 4.43 H new ATOM 0 HG23 ILE A 18 -0.753 -7.484 3.851 1.00 4.43 H new ATOM 0 HD11 ILE A 18 3.337 -7.741 2.646 1.00 44.33 H new ATOM 0 HD12 ILE A 18 2.321 -8.115 1.234 1.00 44.33 H new ATOM 0 HD13 ILE A 18 1.806 -6.869 2.395 1.00 44.33 H new ATOM 317 N LYS A 19 -2.339 -11.129 2.117 1.00 52.11 N ATOM 318 CA LYS A 19 -3.740 -11.418 1.717 1.00 42.35 C ATOM 319 C LYS A 19 -4.495 -12.176 2.834 1.00 12.20 C ATOM 320 O LYS A 19 -5.677 -11.919 3.067 1.00 73.32 O ATOM 321 CB LYS A 19 -3.797 -12.221 0.381 1.00 3.11 C ATOM 322 CG LYS A 19 -3.268 -11.456 -0.859 1.00 65.33 C ATOM 323 CD LYS A 19 -3.512 -12.219 -2.192 1.00 53.31 C ATOM 324 CE LYS A 19 -3.043 -11.428 -3.430 1.00 23.04 C ATOM 325 NZ LYS A 19 -3.369 -12.114 -4.709 1.00 73.52 N ATOM 0 H LYS A 19 -1.644 -11.477 1.456 1.00 52.11 H new ATOM 0 HA LYS A 19 -4.235 -10.460 1.557 1.00 42.35 H new ATOM 0 HB2 LYS A 19 -3.219 -13.137 0.499 1.00 3.11 H new ATOM 0 HB3 LYS A 19 -4.829 -12.517 0.195 1.00 3.11 H new ATOM 0 HG2 LYS A 19 -3.752 -10.481 -0.911 1.00 65.33 H new ATOM 0 HG3 LYS A 19 -2.200 -11.276 -0.740 1.00 65.33 H new ATOM 0 HD2 LYS A 19 -2.990 -13.175 -2.159 1.00 53.31 H new ATOM 0 HD3 LYS A 19 -4.575 -12.440 -2.289 1.00 53.31 H new ATOM 0 HE2 LYS A 19 -3.508 -10.442 -3.423 1.00 23.04 H new ATOM 0 HE3 LYS A 19 -1.966 -11.273 -3.370 1.00 23.04 H new ATOM 0 HZ1 LYS A 19 -3.666 -11.410 -5.414 1.00 73.52 H new ATOM 0 HZ2 LYS A 19 -2.529 -12.619 -5.056 1.00 73.52 H new ATOM 0 HZ3 LYS A 19 -4.140 -12.794 -4.552 1.00 73.52 H new ATOM 339 N LYS A 20 -3.775 -13.077 3.537 1.00 74.30 N ATOM 340 CA LYS A 20 -4.302 -13.806 4.710 1.00 24.43 C ATOM 341 C LYS A 20 -4.661 -12.836 5.842 1.00 11.55 C ATOM 342 O LYS A 20 -5.755 -12.924 6.405 1.00 32.22 O ATOM 343 CB LYS A 20 -3.259 -14.837 5.222 1.00 53.42 C ATOM 344 CG LYS A 20 -2.956 -15.989 4.246 1.00 35.00 C ATOM 345 CD LYS A 20 -4.174 -16.918 4.022 1.00 10.15 C ATOM 346 CE LYS A 20 -4.604 -17.665 5.300 1.00 72.35 C ATOM 347 NZ LYS A 20 -5.837 -18.462 5.095 1.00 33.24 N ATOM 0 H LYS A 20 -2.811 -13.319 3.307 1.00 74.30 H new ATOM 0 HA LYS A 20 -5.205 -14.331 4.398 1.00 24.43 H new ATOM 0 HB2 LYS A 20 -2.329 -14.313 5.443 1.00 53.42 H new ATOM 0 HB3 LYS A 20 -3.617 -15.260 6.161 1.00 53.42 H new ATOM 0 HG2 LYS A 20 -2.639 -15.575 3.289 1.00 35.00 H new ATOM 0 HG3 LYS A 20 -2.122 -16.576 4.631 1.00 35.00 H new ATOM 0 HD2 LYS A 20 -5.012 -16.327 3.654 1.00 10.15 H new ATOM 0 HD3 LYS A 20 -3.932 -17.645 3.247 1.00 10.15 H new ATOM 0 HE2 LYS A 20 -3.797 -18.323 5.623 1.00 72.35 H new ATOM 0 HE3 LYS A 20 -4.768 -16.945 6.102 1.00 72.35 H new ATOM 0 HZ1 LYS A 20 -6.088 -18.947 5.980 1.00 33.24 H new ATOM 0 HZ2 LYS A 20 -6.615 -17.832 4.812 1.00 33.24 H new ATOM 0 HZ3 LYS A 20 -5.674 -19.167 4.348 1.00 33.24 H new ATOM 361 N GLU A 21 -3.724 -11.907 6.150 1.00 1.44 N ATOM 362 CA GLU A 21 -3.912 -10.896 7.210 1.00 63.11 C ATOM 363 C GLU A 21 -5.168 -10.058 6.921 1.00 42.51 C ATOM 364 O GLU A 21 -6.007 -9.881 7.789 1.00 30.53 O ATOM 365 CB GLU A 21 -2.681 -9.947 7.337 1.00 74.31 C ATOM 366 CG GLU A 21 -1.302 -10.632 7.439 1.00 32.53 C ATOM 367 CD GLU A 21 -1.246 -11.764 8.475 1.00 1.34 C ATOM 368 OE1 GLU A 21 -1.403 -11.477 9.672 1.00 32.33 O ATOM 369 OE2 GLU A 21 -1.054 -12.940 8.099 1.00 62.22 O ATOM 0 H GLU A 21 -2.825 -11.840 5.673 1.00 1.44 H new ATOM 0 HA GLU A 21 -4.026 -11.432 8.152 1.00 63.11 H new ATOM 0 HB2 GLU A 21 -2.670 -9.282 6.474 1.00 74.31 H new ATOM 0 HB3 GLU A 21 -2.819 -9.322 8.219 1.00 74.31 H new ATOM 0 HG2 GLU A 21 -1.033 -11.033 6.462 1.00 32.53 H new ATOM 0 HG3 GLU A 21 -0.553 -9.882 7.693 1.00 32.53 H new ATOM 376 N VAL A 22 -5.298 -9.613 5.661 1.00 31.31 N ATOM 377 CA VAL A 22 -6.385 -8.717 5.207 1.00 71.30 C ATOM 378 C VAL A 22 -7.759 -9.413 5.329 1.00 42.03 C ATOM 379 O VAL A 22 -8.761 -8.764 5.623 1.00 35.12 O ATOM 380 CB VAL A 22 -6.148 -8.237 3.726 1.00 13.43 C ATOM 381 CG1 VAL A 22 -7.156 -7.151 3.291 1.00 14.22 C ATOM 382 CG2 VAL A 22 -4.709 -7.733 3.527 1.00 54.43 C ATOM 0 H VAL A 22 -4.647 -9.865 4.918 1.00 31.31 H new ATOM 0 HA VAL A 22 -6.380 -7.840 5.855 1.00 71.30 H new ATOM 0 HB VAL A 22 -6.307 -9.108 3.091 1.00 13.43 H new ATOM 0 HG11 VAL A 22 -6.950 -6.854 2.263 1.00 14.22 H new ATOM 0 HG12 VAL A 22 -8.169 -7.547 3.358 1.00 14.22 H new ATOM 0 HG13 VAL A 22 -7.061 -6.284 3.945 1.00 14.22 H new ATOM 0 HG21 VAL A 22 -4.577 -7.409 2.495 1.00 54.43 H new ATOM 0 HG22 VAL A 22 -4.521 -6.895 4.198 1.00 54.43 H new ATOM 0 HG23 VAL A 22 -4.008 -8.538 3.747 1.00 54.43 H new ATOM 392 N GLU A 23 -7.776 -10.748 5.130 1.00 53.34 N ATOM 393 CA GLU A 23 -8.989 -11.572 5.302 1.00 24.31 C ATOM 394 C GLU A 23 -9.335 -11.739 6.797 1.00 11.54 C ATOM 395 O GLU A 23 -10.514 -11.766 7.166 1.00 3.50 O ATOM 396 CB GLU A 23 -8.814 -12.959 4.618 1.00 2.11 C ATOM 397 CG GLU A 23 -8.717 -12.915 3.077 1.00 71.12 C ATOM 398 CD GLU A 23 -9.910 -12.202 2.410 1.00 61.14 C ATOM 399 OE1 GLU A 23 -10.979 -12.831 2.244 1.00 72.04 O ATOM 400 OE2 GLU A 23 -9.793 -11.010 2.057 1.00 51.54 O ATOM 0 H GLU A 23 -6.954 -11.281 4.847 1.00 53.34 H new ATOM 0 HA GLU A 23 -9.819 -11.056 4.820 1.00 24.31 H new ATOM 0 HB2 GLU A 23 -7.914 -13.431 5.011 1.00 2.11 H new ATOM 0 HB3 GLU A 23 -9.655 -13.594 4.897 1.00 2.11 H new ATOM 0 HG2 GLU A 23 -7.795 -12.408 2.792 1.00 71.12 H new ATOM 0 HG3 GLU A 23 -8.652 -13.934 2.695 1.00 71.12 H new ATOM 407 N ASN A 24 -8.292 -11.831 7.652 1.00 62.04 N ATOM 408 CA ASN A 24 -8.448 -11.945 9.126 1.00 42.41 C ATOM 409 C ASN A 24 -9.006 -10.631 9.699 1.00 33.25 C ATOM 410 O ASN A 24 -9.802 -10.630 10.641 1.00 64.52 O ATOM 411 CB ASN A 24 -7.083 -12.261 9.804 1.00 32.41 C ATOM 412 CG ASN A 24 -6.446 -13.579 9.354 1.00 3.54 C ATOM 413 OD1 ASN A 24 -7.135 -14.556 9.065 1.00 64.43 O ATOM 414 ND2 ASN A 24 -5.116 -13.614 9.284 1.00 52.52 N ATOM 0 H ASN A 24 -7.320 -11.829 7.344 1.00 62.04 H new ATOM 0 HA ASN A 24 -9.142 -12.760 9.331 1.00 42.41 H new ATOM 0 HB2 ASN A 24 -6.390 -11.446 9.595 1.00 32.41 H new ATOM 0 HB3 ASN A 24 -7.225 -12.290 10.884 1.00 32.41 H new ATOM 0 HD21 ASN A 24 -4.643 -14.467 8.984 1.00 52.52 H new ATOM 0 HD22 ASN A 24 -4.570 -12.788 9.530 1.00 52.52 H new ATOM 421 N GLN A 25 -8.582 -9.517 9.078 1.00 10.41 N ATOM 422 CA GLN A 25 -8.950 -8.155 9.493 1.00 24.15 C ATOM 423 C GLN A 25 -10.272 -7.713 8.840 1.00 63.13 C ATOM 424 O GLN A 25 -10.955 -6.819 9.351 1.00 61.21 O ATOM 425 CB GLN A 25 -7.809 -7.175 9.122 1.00 55.30 C ATOM 426 CG GLN A 25 -6.427 -7.543 9.713 1.00 34.32 C ATOM 427 CD GLN A 25 -6.376 -7.579 11.240 1.00 13.50 C ATOM 428 OE1 GLN A 25 -7.108 -6.863 11.918 1.00 53.51 O ATOM 429 NE2 GLN A 25 -5.488 -8.394 11.786 1.00 41.24 N ATOM 0 H GLN A 25 -7.967 -9.539 8.265 1.00 10.41 H new ATOM 0 HA GLN A 25 -9.096 -8.148 10.573 1.00 24.15 H new ATOM 0 HB2 GLN A 25 -7.725 -7.130 8.036 1.00 55.30 H new ATOM 0 HB3 GLN A 25 -8.081 -6.176 9.462 1.00 55.30 H new ATOM 0 HG2 GLN A 25 -6.131 -8.520 9.330 1.00 34.32 H new ATOM 0 HG3 GLN A 25 -5.690 -6.824 9.355 1.00 34.32 H new ATOM 0 HE21 GLN A 25 -4.896 -8.975 11.192 1.00 41.24 H new ATOM 0 HE22 GLN A 25 -5.395 -8.441 12.801 1.00 41.24 H new ATOM 438 N GLY A 26 -10.613 -8.352 7.709 1.00 10.52 N ATOM 439 CA GLY A 26 -11.849 -8.069 6.984 1.00 2.21 C ATOM 440 C GLY A 26 -11.807 -6.754 6.210 1.00 72.04 C ATOM 441 O GLY A 26 -12.705 -5.927 6.342 1.00 30.44 O ATOM 0 H GLY A 26 -10.038 -9.076 7.278 1.00 10.52 H new ATOM 0 HA2 GLY A 26 -12.050 -8.885 6.290 1.00 2.21 H new ATOM 0 HA3 GLY A 26 -12.678 -8.040 7.691 1.00 2.21 H new ATOM 445 N TYR A 27 -10.727 -6.556 5.436 1.00 34.32 N ATOM 446 CA TYR A 27 -10.570 -5.428 4.482 1.00 43.11 C ATOM 447 C TYR A 27 -10.595 -5.982 3.042 1.00 15.23 C ATOM 448 O TYR A 27 -10.527 -7.201 2.838 1.00 3.45 O ATOM 449 CB TYR A 27 -9.236 -4.653 4.749 1.00 71.15 C ATOM 450 CG TYR A 27 -9.229 -3.715 5.977 1.00 24.23 C ATOM 451 CD1 TYR A 27 -9.784 -4.101 7.200 1.00 51.22 C ATOM 452 CD2 TYR A 27 -8.659 -2.436 5.907 1.00 54.45 C ATOM 453 CE1 TYR A 27 -9.781 -3.260 8.289 1.00 71.54 C ATOM 454 CE2 TYR A 27 -8.654 -1.592 7.004 1.00 24.43 C ATOM 455 CZ TYR A 27 -9.218 -2.007 8.190 1.00 12.01 C ATOM 456 OH TYR A 27 -9.213 -1.169 9.287 1.00 34.23 O ATOM 0 H TYR A 27 -9.921 -7.181 5.450 1.00 34.32 H new ATOM 0 HA TYR A 27 -11.393 -4.726 4.618 1.00 43.11 H new ATOM 0 HB2 TYR A 27 -8.434 -5.381 4.869 1.00 71.15 H new ATOM 0 HB3 TYR A 27 -9.000 -4.062 3.864 1.00 71.15 H new ATOM 0 HD1 TYR A 27 -10.226 -5.082 7.293 1.00 51.22 H new ATOM 0 HD2 TYR A 27 -8.216 -2.103 4.980 1.00 54.45 H new ATOM 0 HE1 TYR A 27 -10.220 -3.582 9.221 1.00 71.54 H new ATOM 0 HE2 TYR A 27 -8.209 -0.611 6.930 1.00 24.43 H new ATOM 0 HH TYR A 27 -8.778 -0.323 9.051 1.00 34.23 H new ATOM 466 N GLN A 28 -10.679 -5.084 2.044 1.00 60.22 N ATOM 467 CA GLN A 28 -10.747 -5.479 0.623 1.00 2.44 C ATOM 468 C GLN A 28 -9.326 -5.648 0.042 1.00 23.21 C ATOM 469 O GLN A 28 -8.542 -4.689 0.046 1.00 73.12 O ATOM 470 CB GLN A 28 -11.546 -4.433 -0.190 1.00 1.31 C ATOM 471 CG GLN A 28 -12.943 -4.107 0.381 1.00 52.14 C ATOM 472 CD GLN A 28 -13.800 -3.250 -0.551 1.00 72.12 C ATOM 473 OE1 GLN A 28 -13.285 -2.485 -1.363 1.00 14.14 O ATOM 474 NE2 GLN A 28 -15.113 -3.361 -0.424 1.00 42.33 N ATOM 0 H GLN A 28 -10.702 -4.076 2.195 1.00 60.22 H new ATOM 0 HA GLN A 28 -11.263 -6.437 0.553 1.00 2.44 H new ATOM 0 HB2 GLN A 28 -10.965 -3.512 -0.243 1.00 1.31 H new ATOM 0 HB3 GLN A 28 -11.661 -4.796 -1.211 1.00 1.31 H new ATOM 0 HG2 GLN A 28 -13.468 -5.039 0.589 1.00 52.14 H new ATOM 0 HG3 GLN A 28 -12.826 -3.588 1.332 1.00 52.14 H new ATOM 0 HE21 GLN A 28 -15.506 -4.007 0.261 1.00 42.33 H new ATOM 0 HE22 GLN A 28 -15.731 -2.801 -1.011 1.00 42.33 H new ATOM 483 N VAL A 29 -8.993 -6.872 -0.416 1.00 30.34 N ATOM 484 CA VAL A 29 -7.693 -7.172 -1.047 1.00 21.33 C ATOM 485 C VAL A 29 -7.684 -6.703 -2.515 1.00 13.15 C ATOM 486 O VAL A 29 -8.491 -7.169 -3.331 1.00 63.13 O ATOM 487 CB VAL A 29 -7.349 -8.714 -1.016 1.00 34.51 C ATOM 488 CG1 VAL A 29 -5.972 -9.009 -1.671 1.00 12.04 C ATOM 489 CG2 VAL A 29 -7.398 -9.288 0.417 1.00 33.01 C ATOM 0 H VAL A 29 -9.616 -7.678 -0.359 1.00 30.34 H new ATOM 0 HA VAL A 29 -6.941 -6.636 -0.468 1.00 21.33 H new ATOM 0 HB VAL A 29 -8.119 -9.214 -1.604 1.00 34.51 H new ATOM 0 HG11 VAL A 29 -5.772 -10.080 -1.630 1.00 12.04 H new ATOM 0 HG12 VAL A 29 -5.986 -8.682 -2.711 1.00 12.04 H new ATOM 0 HG13 VAL A 29 -5.191 -8.473 -1.133 1.00 12.04 H new ATOM 0 HG21 VAL A 29 -7.155 -10.350 0.392 1.00 33.01 H new ATOM 0 HG22 VAL A 29 -6.675 -8.765 1.043 1.00 33.01 H new ATOM 0 HG23 VAL A 29 -8.398 -9.154 0.829 1.00 33.01 H new ATOM 499 N ARG A 30 -6.789 -5.771 -2.820 1.00 54.02 N ATOM 500 CA ARG A 30 -6.429 -5.387 -4.193 1.00 24.21 C ATOM 501 C ARG A 30 -4.906 -5.480 -4.339 1.00 51.30 C ATOM 502 O ARG A 30 -4.177 -5.044 -3.451 1.00 11.23 O ATOM 503 CB ARG A 30 -6.922 -3.947 -4.533 1.00 60.34 C ATOM 504 CG ARG A 30 -8.384 -3.848 -5.034 1.00 73.33 C ATOM 505 CD ARG A 30 -8.604 -4.666 -6.328 1.00 11.42 C ATOM 506 NE ARG A 30 -7.563 -4.380 -7.345 1.00 13.14 N ATOM 507 CZ ARG A 30 -6.986 -5.287 -8.162 1.00 41.11 C ATOM 508 NH1 ARG A 30 -7.327 -6.568 -8.131 1.00 3.00 N ATOM 509 NH2 ARG A 30 -6.038 -4.901 -8.993 1.00 22.05 N ATOM 0 H ARG A 30 -6.279 -5.246 -2.110 1.00 54.02 H new ATOM 0 HA ARG A 30 -6.917 -6.065 -4.893 1.00 24.21 H new ATOM 0 HB2 ARG A 30 -6.817 -3.326 -3.644 1.00 60.34 H new ATOM 0 HB3 ARG A 30 -6.265 -3.526 -5.295 1.00 60.34 H new ATOM 0 HG2 ARG A 30 -9.059 -4.207 -4.258 1.00 73.33 H new ATOM 0 HG3 ARG A 30 -8.636 -2.803 -5.217 1.00 73.33 H new ATOM 0 HD2 ARG A 30 -8.598 -5.730 -6.091 1.00 11.42 H new ATOM 0 HD3 ARG A 30 -9.587 -4.437 -6.740 1.00 11.42 H new ATOM 0 HE ARG A 30 -7.256 -3.412 -7.435 1.00 13.14 H new ATOM 0 HH11 ARG A 30 -8.042 -6.890 -7.478 1.00 3.00 H new ATOM 0 HH12 ARG A 30 -6.875 -7.232 -8.760 1.00 3.00 H new ATOM 0 HH21 ARG A 30 -5.746 -3.924 -9.015 1.00 22.05 H new ATOM 0 HH22 ARG A 30 -5.597 -5.579 -9.614 1.00 22.05 H new ATOM 523 N ASP A 31 -4.435 -6.110 -5.428 1.00 72.04 N ATOM 524 CA ASP A 31 -3.011 -6.108 -5.800 1.00 42.31 C ATOM 525 C ASP A 31 -2.855 -5.722 -7.286 1.00 71.23 C ATOM 526 O ASP A 31 -3.373 -6.402 -8.181 1.00 21.13 O ATOM 527 CB ASP A 31 -2.325 -7.463 -5.453 1.00 65.33 C ATOM 528 CG ASP A 31 -2.907 -8.694 -6.179 1.00 0.33 C ATOM 529 OD1 ASP A 31 -4.011 -9.155 -5.813 1.00 3.12 O ATOM 530 OD2 ASP A 31 -2.258 -9.217 -7.108 1.00 15.33 O ATOM 0 H ASP A 31 -5.028 -6.633 -6.073 1.00 72.04 H new ATOM 0 HA ASP A 31 -2.493 -5.353 -5.208 1.00 42.31 H new ATOM 0 HB2 ASP A 31 -1.264 -7.387 -5.692 1.00 65.33 H new ATOM 0 HB3 ASP A 31 -2.399 -7.626 -4.378 1.00 65.33 H new ATOM 535 N VAL A 32 -2.179 -4.589 -7.520 1.00 12.24 N ATOM 536 CA VAL A 32 -1.866 -4.080 -8.863 1.00 51.00 C ATOM 537 C VAL A 32 -0.585 -4.752 -9.381 1.00 54.32 C ATOM 538 O VAL A 32 0.471 -4.680 -8.731 1.00 74.12 O ATOM 539 CB VAL A 32 -1.661 -2.515 -8.870 1.00 41.14 C ATOM 540 CG1 VAL A 32 -1.491 -1.974 -10.314 1.00 75.31 C ATOM 541 CG2 VAL A 32 -2.814 -1.780 -8.148 1.00 33.51 C ATOM 0 H VAL A 32 -1.829 -3.991 -6.771 1.00 12.24 H new ATOM 0 HA VAL A 32 -2.713 -4.314 -9.508 1.00 51.00 H new ATOM 0 HB VAL A 32 -0.742 -2.314 -8.319 1.00 41.14 H new ATOM 0 HG11 VAL A 32 -1.352 -0.893 -10.284 1.00 75.31 H new ATOM 0 HG12 VAL A 32 -0.621 -2.439 -10.777 1.00 75.31 H new ATOM 0 HG13 VAL A 32 -2.381 -2.209 -10.898 1.00 75.31 H new ATOM 0 HG21 VAL A 32 -2.634 -0.705 -8.176 1.00 33.51 H new ATOM 0 HG22 VAL A 32 -3.757 -2.003 -8.647 1.00 33.51 H new ATOM 0 HG23 VAL A 32 -2.865 -2.113 -7.111 1.00 33.51 H new ATOM 551 N ASN A 33 -0.688 -5.399 -10.540 1.00 10.14 N ATOM 552 CA ASN A 33 0.442 -6.091 -11.190 1.00 52.00 C ATOM 553 C ASN A 33 0.924 -5.283 -12.407 1.00 33.21 C ATOM 554 O ASN A 33 2.089 -5.395 -12.816 1.00 53.11 O ATOM 555 CB ASN A 33 0.003 -7.514 -11.647 1.00 42.52 C ATOM 556 CG ASN A 33 -0.721 -8.344 -10.573 1.00 23.43 C ATOM 557 OD1 ASN A 33 -1.585 -9.153 -10.899 1.00 51.42 O ATOM 558 ND2 ASN A 33 -0.384 -8.170 -9.300 1.00 74.45 N ATOM 0 H ASN A 33 -1.560 -5.463 -11.065 1.00 10.14 H new ATOM 0 HA ASN A 33 1.259 -6.181 -10.474 1.00 52.00 H new ATOM 0 HB2 ASN A 33 -0.652 -7.416 -12.513 1.00 42.52 H new ATOM 0 HB3 ASN A 33 0.886 -8.063 -11.976 1.00 42.52 H new ATOM 0 HD21 ASN A 33 -0.846 -8.714 -8.571 1.00 74.45 H new ATOM 0 HD22 ASN A 33 0.337 -7.492 -9.051 1.00 74.45 H new ATOM 565 N ASP A 34 0.010 -4.465 -12.968 1.00 63.20 N ATOM 566 CA ASP A 34 0.211 -3.759 -14.250 1.00 25.15 C ATOM 567 C ASP A 34 -0.351 -2.319 -14.169 1.00 73.33 C ATOM 568 O ASP A 34 -1.330 -2.071 -13.459 1.00 63.12 O ATOM 569 CB ASP A 34 -0.487 -4.576 -15.374 1.00 23.22 C ATOM 570 CG ASP A 34 -0.316 -3.972 -16.776 1.00 52.14 C ATOM 571 OD1 ASP A 34 0.734 -4.203 -17.411 1.00 23.23 O ATOM 572 OD2 ASP A 34 -1.208 -3.235 -17.240 1.00 50.24 O ATOM 0 H ASP A 34 -0.896 -4.274 -12.540 1.00 63.20 H new ATOM 0 HA ASP A 34 1.275 -3.677 -14.471 1.00 25.15 H new ATOM 0 HB2 ASP A 34 -0.088 -5.590 -15.374 1.00 23.22 H new ATOM 0 HB3 ASP A 34 -1.551 -4.652 -15.148 1.00 23.22 H new ATOM 577 N SER A 35 0.260 -1.389 -14.935 1.00 31.50 N ATOM 578 CA SER A 35 -0.044 0.063 -14.879 1.00 4.11 C ATOM 579 C SER A 35 -1.477 0.402 -15.355 1.00 0.05 C ATOM 580 O SER A 35 -2.037 1.429 -14.958 1.00 73.53 O ATOM 581 CB SER A 35 0.989 0.841 -15.723 1.00 42.40 C ATOM 582 OG SER A 35 2.319 0.513 -15.349 1.00 32.55 O ATOM 0 H SER A 35 0.983 -1.623 -15.615 1.00 31.50 H new ATOM 0 HA SER A 35 0.017 0.362 -13.833 1.00 4.11 H new ATOM 0 HB2 SER A 35 0.841 0.616 -16.779 1.00 42.40 H new ATOM 0 HB3 SER A 35 0.829 1.912 -15.600 1.00 42.40 H new ATOM 0 HG SER A 35 2.949 1.020 -15.902 1.00 32.55 H new ATOM 588 N ASP A 36 -2.069 -0.464 -16.199 1.00 32.22 N ATOM 589 CA ASP A 36 -3.438 -0.253 -16.721 1.00 74.10 C ATOM 590 C ASP A 36 -4.482 -0.588 -15.637 1.00 22.51 C ATOM 591 O ASP A 36 -5.556 0.011 -15.601 1.00 74.04 O ATOM 592 CB ASP A 36 -3.674 -1.104 -17.998 1.00 60.43 C ATOM 593 CG ASP A 36 -5.084 -0.939 -18.602 1.00 21.44 C ATOM 594 OD1 ASP A 36 -5.379 0.143 -19.156 1.00 33.25 O ATOM 595 OD2 ASP A 36 -5.907 -1.884 -18.520 1.00 14.40 O ATOM 0 H ASP A 36 -1.623 -1.317 -16.536 1.00 32.22 H new ATOM 0 HA ASP A 36 -3.549 0.797 -16.991 1.00 74.10 H new ATOM 0 HB2 ASP A 36 -2.933 -0.830 -18.749 1.00 60.43 H new ATOM 0 HB3 ASP A 36 -3.512 -2.155 -17.759 1.00 60.43 H new ATOM 600 N GLU A 37 -4.138 -1.537 -14.744 1.00 1.44 N ATOM 601 CA GLU A 37 -5.047 -1.991 -13.670 1.00 15.31 C ATOM 602 C GLU A 37 -5.322 -0.870 -12.651 1.00 31.33 C ATOM 603 O GLU A 37 -6.472 -0.692 -12.217 1.00 21.35 O ATOM 604 CB GLU A 37 -4.481 -3.245 -12.957 1.00 33.22 C ATOM 605 CG GLU A 37 -4.207 -4.430 -13.900 1.00 4.34 C ATOM 606 CD GLU A 37 -3.892 -5.734 -13.155 1.00 51.32 C ATOM 607 OE1 GLU A 37 -2.809 -5.840 -12.561 1.00 51.45 O ATOM 608 OE2 GLU A 37 -4.742 -6.648 -13.134 1.00 10.02 O ATOM 0 H GLU A 37 -3.233 -2.007 -14.745 1.00 1.44 H new ATOM 0 HA GLU A 37 -5.995 -2.258 -14.138 1.00 15.31 H new ATOM 0 HB2 GLU A 37 -3.554 -2.975 -12.450 1.00 33.22 H new ATOM 0 HB3 GLU A 37 -5.185 -3.562 -12.187 1.00 33.22 H new ATOM 0 HG2 GLU A 37 -5.076 -4.585 -14.540 1.00 4.34 H new ATOM 0 HG3 GLU A 37 -3.371 -4.181 -14.553 1.00 4.34 H new ATOM 615 N LEU A 38 -4.269 -0.087 -12.315 1.00 21.53 N ATOM 616 CA LEU A 38 -4.341 0.922 -11.242 1.00 33.31 C ATOM 617 C LEU A 38 -5.289 2.075 -11.604 1.00 35.03 C ATOM 618 O LEU A 38 -6.053 2.517 -10.755 1.00 44.14 O ATOM 619 CB LEU A 38 -2.922 1.434 -10.823 1.00 65.33 C ATOM 620 CG LEU A 38 -2.078 2.300 -11.840 1.00 34.10 C ATOM 621 CD1 LEU A 38 -2.416 3.808 -11.771 1.00 71.33 C ATOM 622 CD2 LEU A 38 -0.563 2.091 -11.631 1.00 52.02 C ATOM 0 H LEU A 38 -3.360 -0.138 -12.775 1.00 21.53 H new ATOM 0 HA LEU A 38 -4.766 0.428 -10.368 1.00 33.31 H new ATOM 0 HB2 LEU A 38 -3.042 2.023 -9.913 1.00 65.33 H new ATOM 0 HB3 LEU A 38 -2.324 0.561 -10.561 1.00 65.33 H new ATOM 0 HG LEU A 38 -2.354 1.948 -12.834 1.00 34.10 H new ATOM 0 HD11 LEU A 38 -1.805 4.351 -12.492 1.00 71.33 H new ATOM 0 HD12 LEU A 38 -3.470 3.956 -12.005 1.00 71.33 H new ATOM 0 HD13 LEU A 38 -2.211 4.181 -10.768 1.00 71.33 H new ATOM 0 HD21 LEU A 38 -0.010 2.700 -12.346 1.00 52.02 H new ATOM 0 HD22 LEU A 38 -0.292 2.385 -10.617 1.00 52.02 H new ATOM 0 HD23 LEU A 38 -0.316 1.040 -11.783 1.00 52.02 H new ATOM 634 N LYS A 39 -5.264 2.539 -12.875 1.00 13.53 N ATOM 635 CA LYS A 39 -6.078 3.699 -13.311 1.00 3.21 C ATOM 636 C LYS A 39 -7.582 3.377 -13.187 1.00 42.24 C ATOM 637 O LYS A 39 -8.387 4.238 -12.820 1.00 61.34 O ATOM 638 CB LYS A 39 -5.722 4.132 -14.768 1.00 13.54 C ATOM 639 CG LYS A 39 -6.075 3.103 -15.871 1.00 71.12 C ATOM 640 CD LYS A 39 -5.724 3.573 -17.306 1.00 62.32 C ATOM 641 CE LYS A 39 -4.215 3.777 -17.532 1.00 4.23 C ATOM 642 NZ LYS A 39 -3.916 4.161 -18.937 1.00 42.13 N ATOM 0 H LYS A 39 -4.692 2.130 -13.614 1.00 13.53 H new ATOM 0 HA LYS A 39 -5.846 4.537 -12.654 1.00 3.21 H new ATOM 0 HB2 LYS A 39 -6.238 5.067 -14.988 1.00 13.54 H new ATOM 0 HB3 LYS A 39 -4.653 4.339 -14.817 1.00 13.54 H new ATOM 0 HG2 LYS A 39 -5.549 2.171 -15.666 1.00 71.12 H new ATOM 0 HG3 LYS A 39 -7.142 2.884 -15.822 1.00 71.12 H new ATOM 0 HD2 LYS A 39 -6.095 2.839 -18.021 1.00 62.32 H new ATOM 0 HD3 LYS A 39 -6.244 4.509 -17.511 1.00 62.32 H new ATOM 0 HE2 LYS A 39 -3.847 4.550 -16.857 1.00 4.23 H new ATOM 0 HE3 LYS A 39 -3.683 2.859 -17.285 1.00 4.23 H new ATOM 0 HZ1 LYS A 39 -2.890 4.290 -19.051 1.00 42.13 H new ATOM 0 HZ2 LYS A 39 -4.244 3.412 -19.579 1.00 42.13 H new ATOM 0 HZ3 LYS A 39 -4.404 5.051 -19.165 1.00 42.13 H new ATOM 656 N LYS A 40 -7.918 2.099 -13.440 1.00 4.23 N ATOM 657 CA LYS A 40 -9.294 1.592 -13.423 1.00 55.00 C ATOM 658 C LYS A 40 -9.834 1.501 -11.985 1.00 0.04 C ATOM 659 O LYS A 40 -10.970 1.910 -11.714 1.00 60.01 O ATOM 660 CB LYS A 40 -9.331 0.197 -14.103 1.00 73.32 C ATOM 661 CG LYS A 40 -8.758 0.174 -15.540 1.00 30.45 C ATOM 662 CD LYS A 40 -8.614 -1.254 -16.110 1.00 30.30 C ATOM 663 CE LYS A 40 -9.958 -1.980 -16.283 1.00 14.44 C ATOM 664 NZ LYS A 40 -9.772 -3.358 -16.803 1.00 63.13 N ATOM 0 H LYS A 40 -7.228 1.382 -13.665 1.00 4.23 H new ATOM 0 HA LYS A 40 -9.932 2.285 -13.972 1.00 55.00 H new ATOM 0 HB2 LYS A 40 -8.770 -0.508 -13.489 1.00 73.32 H new ATOM 0 HB3 LYS A 40 -10.363 -0.154 -14.130 1.00 73.32 H new ATOM 0 HG2 LYS A 40 -9.408 0.756 -16.194 1.00 30.45 H new ATOM 0 HG3 LYS A 40 -7.783 0.661 -15.544 1.00 30.45 H new ATOM 0 HD2 LYS A 40 -8.110 -1.203 -17.075 1.00 30.30 H new ATOM 0 HD3 LYS A 40 -7.976 -1.839 -15.448 1.00 30.30 H new ATOM 0 HE2 LYS A 40 -10.477 -2.019 -15.325 1.00 14.44 H new ATOM 0 HE3 LYS A 40 -10.592 -1.415 -16.966 1.00 14.44 H new ATOM 0 HZ1 LYS A 40 -10.699 -3.818 -16.907 1.00 63.13 H new ATOM 0 HZ2 LYS A 40 -9.299 -3.319 -17.728 1.00 63.13 H new ATOM 0 HZ3 LYS A 40 -9.188 -3.904 -16.138 1.00 63.13 H new ATOM 678 N GLU A 41 -9.005 0.969 -11.059 1.00 32.34 N ATOM 679 CA GLU A 41 -9.427 0.749 -9.663 1.00 72.51 C ATOM 680 C GLU A 41 -9.407 2.058 -8.849 1.00 75.24 C ATOM 681 O GLU A 41 -10.223 2.220 -7.948 1.00 74.15 O ATOM 682 CB GLU A 41 -8.598 -0.369 -8.995 1.00 64.14 C ATOM 683 CG GLU A 41 -7.109 -0.064 -8.800 1.00 22.33 C ATOM 684 CD GLU A 41 -6.317 -1.325 -8.438 1.00 34.04 C ATOM 685 OE1 GLU A 41 -5.897 -2.050 -9.370 1.00 5.13 O ATOM 686 OE2 GLU A 41 -6.163 -1.634 -7.234 1.00 73.13 O ATOM 0 H GLU A 41 -8.045 0.686 -11.255 1.00 32.34 H new ATOM 0 HA GLU A 41 -10.463 0.409 -9.681 1.00 72.51 H new ATOM 0 HB2 GLU A 41 -9.036 -0.589 -8.021 1.00 64.14 H new ATOM 0 HB3 GLU A 41 -8.689 -1.273 -9.597 1.00 64.14 H new ATOM 0 HG2 GLU A 41 -6.704 0.371 -9.713 1.00 22.33 H new ATOM 0 HG3 GLU A 41 -6.990 0.680 -8.012 1.00 22.33 H new ATOM 693 N MET A 42 -8.506 3.005 -9.204 1.00 45.13 N ATOM 694 CA MET A 42 -8.502 4.376 -8.620 1.00 21.30 C ATOM 695 C MET A 42 -9.852 5.074 -8.886 1.00 35.41 C ATOM 696 O MET A 42 -10.312 5.886 -8.075 1.00 24.52 O ATOM 697 CB MET A 42 -7.341 5.242 -9.198 1.00 70.40 C ATOM 698 CG MET A 42 -5.907 4.857 -8.777 1.00 43.55 C ATOM 699 SD MET A 42 -5.559 5.132 -7.023 1.00 62.24 S ATOM 700 CE MET A 42 -5.893 3.526 -6.300 1.00 11.52 C ATOM 0 H MET A 42 -7.770 2.848 -9.893 1.00 45.13 H new ATOM 0 HA MET A 42 -8.349 4.275 -7.546 1.00 21.30 H new ATOM 0 HB2 MET A 42 -7.397 5.203 -10.286 1.00 70.40 H new ATOM 0 HB3 MET A 42 -7.513 6.278 -8.907 1.00 70.40 H new ATOM 0 HG2 MET A 42 -5.741 3.805 -9.010 1.00 43.55 H new ATOM 0 HG3 MET A 42 -5.197 5.431 -9.373 1.00 43.55 H new ATOM 0 HE1 MET A 42 -6.305 3.656 -5.299 1.00 11.52 H new ATOM 0 HE2 MET A 42 -6.611 2.990 -6.921 1.00 11.52 H new ATOM 0 HE3 MET A 42 -4.967 2.954 -6.240 1.00 11.52 H new ATOM 710 N LYS A 43 -10.477 4.736 -10.039 1.00 24.52 N ATOM 711 CA LYS A 43 -11.823 5.206 -10.387 1.00 25.04 C ATOM 712 C LYS A 43 -12.868 4.540 -9.480 1.00 43.30 C ATOM 713 O LYS A 43 -13.701 5.230 -8.928 1.00 32.43 O ATOM 714 CB LYS A 43 -12.164 4.927 -11.869 1.00 42.44 C ATOM 715 CG LYS A 43 -11.302 5.703 -12.884 1.00 3.51 C ATOM 716 CD LYS A 43 -11.759 5.492 -14.347 1.00 31.43 C ATOM 717 CE LYS A 43 -13.192 6.005 -14.607 1.00 74.43 C ATOM 718 NZ LYS A 43 -13.334 7.456 -14.324 1.00 60.01 N ATOM 0 H LYS A 43 -10.057 4.132 -10.746 1.00 24.52 H new ATOM 0 HA LYS A 43 -11.842 6.285 -10.236 1.00 25.04 H new ATOM 0 HB2 LYS A 43 -12.052 3.859 -12.059 1.00 42.44 H new ATOM 0 HB3 LYS A 43 -13.212 5.173 -12.039 1.00 42.44 H new ATOM 0 HG2 LYS A 43 -11.339 6.766 -12.647 1.00 3.51 H new ATOM 0 HG3 LYS A 43 -10.263 5.390 -12.785 1.00 3.51 H new ATOM 0 HD2 LYS A 43 -11.068 6.004 -15.016 1.00 31.43 H new ATOM 0 HD3 LYS A 43 -11.709 4.430 -14.589 1.00 31.43 H new ATOM 0 HE2 LYS A 43 -13.461 5.812 -15.645 1.00 74.43 H new ATOM 0 HE3 LYS A 43 -13.893 5.446 -13.987 1.00 74.43 H new ATOM 0 HZ1 LYS A 43 -14.276 7.778 -14.625 1.00 60.01 H new ATOM 0 HZ2 LYS A 43 -13.220 7.624 -13.304 1.00 60.01 H new ATOM 0 HZ3 LYS A 43 -12.605 7.984 -14.845 1.00 60.01 H new ATOM 732 N LYS A 44 -12.775 3.194 -9.320 1.00 64.32 N ATOM 733 CA LYS A 44 -13.743 2.382 -8.521 1.00 24.03 C ATOM 734 C LYS A 44 -13.910 2.953 -7.100 1.00 2.24 C ATOM 735 O LYS A 44 -15.022 3.105 -6.602 1.00 23.42 O ATOM 736 CB LYS A 44 -13.281 0.895 -8.423 1.00 42.35 C ATOM 737 CG LYS A 44 -13.060 0.172 -9.772 1.00 31.01 C ATOM 738 CD LYS A 44 -14.341 0.046 -10.621 1.00 13.24 C ATOM 739 CE LYS A 44 -14.108 -0.738 -11.922 1.00 63.15 C ATOM 740 NZ LYS A 44 -15.359 -0.907 -12.699 1.00 5.11 N ATOM 0 H LYS A 44 -12.030 2.638 -9.739 1.00 64.32 H new ATOM 0 HA LYS A 44 -14.701 2.427 -9.038 1.00 24.03 H new ATOM 0 HB2 LYS A 44 -12.351 0.859 -7.856 1.00 42.35 H new ATOM 0 HB3 LYS A 44 -14.025 0.340 -7.851 1.00 42.35 H new ATOM 0 HG2 LYS A 44 -12.306 0.712 -10.345 1.00 31.01 H new ATOM 0 HG3 LYS A 44 -12.662 -0.824 -9.580 1.00 31.01 H new ATOM 0 HD2 LYS A 44 -15.115 -0.450 -10.035 1.00 13.24 H new ATOM 0 HD3 LYS A 44 -14.713 1.042 -10.862 1.00 13.24 H new ATOM 0 HE2 LYS A 44 -13.370 -0.217 -12.532 1.00 63.15 H new ATOM 0 HE3 LYS A 44 -13.693 -1.718 -11.686 1.00 63.15 H new ATOM 0 HZ1 LYS A 44 -15.158 -1.441 -13.569 1.00 5.11 H new ATOM 0 HZ2 LYS A 44 -16.055 -1.426 -12.127 1.00 5.11 H new ATOM 0 HZ3 LYS A 44 -15.742 0.027 -12.947 1.00 5.11 H new ATOM 754 N LEU A 45 -12.773 3.305 -6.495 1.00 30.03 N ATOM 755 CA LEU A 45 -12.693 3.816 -5.114 1.00 71.33 C ATOM 756 C LEU A 45 -13.363 5.195 -4.970 1.00 52.43 C ATOM 757 O LEU A 45 -13.886 5.533 -3.900 1.00 72.24 O ATOM 758 CB LEU A 45 -11.202 3.885 -4.698 1.00 3.52 C ATOM 759 CG LEU A 45 -10.408 2.552 -4.883 1.00 20.14 C ATOM 760 CD1 LEU A 45 -8.919 2.713 -4.566 1.00 52.11 C ATOM 761 CD2 LEU A 45 -11.041 1.403 -4.084 1.00 24.23 C ATOM 0 H LEU A 45 -11.864 3.244 -6.954 1.00 30.03 H new ATOM 0 HA LEU A 45 -13.235 3.136 -4.456 1.00 71.33 H new ATOM 0 HB2 LEU A 45 -10.713 4.667 -5.279 1.00 3.52 H new ATOM 0 HB3 LEU A 45 -11.145 4.183 -3.651 1.00 3.52 H new ATOM 0 HG LEU A 45 -10.473 2.290 -5.939 1.00 20.14 H new ATOM 0 HD11 LEU A 45 -8.411 1.759 -4.710 1.00 52.11 H new ATOM 0 HD12 LEU A 45 -8.484 3.459 -5.231 1.00 52.11 H new ATOM 0 HD13 LEU A 45 -8.800 3.035 -3.532 1.00 52.11 H new ATOM 0 HD21 LEU A 45 -10.463 0.492 -4.237 1.00 24.23 H new ATOM 0 HD22 LEU A 45 -11.046 1.657 -3.024 1.00 24.23 H new ATOM 0 HD23 LEU A 45 -12.064 1.244 -4.424 1.00 24.23 H new ATOM 773 N ALA A 46 -13.338 5.966 -6.070 1.00 3.43 N ATOM 774 CA ALA A 46 -13.849 7.343 -6.117 1.00 51.01 C ATOM 775 C ALA A 46 -15.313 7.407 -6.607 1.00 5.34 C ATOM 776 O ALA A 46 -16.043 8.343 -6.263 1.00 54.41 O ATOM 777 CB ALA A 46 -12.934 8.178 -7.020 1.00 73.32 C ATOM 0 H ALA A 46 -12.958 5.645 -6.961 1.00 3.43 H new ATOM 0 HA ALA A 46 -13.846 7.749 -5.105 1.00 51.01 H new ATOM 0 HB1 ALA A 46 -13.303 9.203 -7.063 1.00 73.32 H new ATOM 0 HB2 ALA A 46 -11.922 8.173 -6.616 1.00 73.32 H new ATOM 0 HB3 ALA A 46 -12.926 7.752 -8.023 1.00 73.32 H new ATOM 783 N GLU A 47 -15.731 6.414 -7.411 1.00 62.43 N ATOM 784 CA GLU A 47 -17.083 6.363 -8.006 1.00 4.31 C ATOM 785 C GLU A 47 -18.075 5.748 -7.005 1.00 54.45 C ATOM 786 O GLU A 47 -19.204 6.238 -6.855 1.00 11.13 O ATOM 787 CB GLU A 47 -17.065 5.564 -9.337 1.00 42.13 C ATOM 788 CG GLU A 47 -16.223 6.198 -10.477 1.00 73.13 C ATOM 789 CD GLU A 47 -16.813 7.504 -11.041 1.00 35.24 C ATOM 790 OE1 GLU A 47 -16.528 8.593 -10.498 1.00 65.44 O ATOM 791 OE2 GLU A 47 -17.570 7.445 -12.038 1.00 53.22 O ATOM 0 H GLU A 47 -15.142 5.622 -7.668 1.00 62.43 H new ATOM 0 HA GLU A 47 -17.407 7.379 -8.232 1.00 4.31 H new ATOM 0 HB2 GLU A 47 -16.681 4.564 -9.137 1.00 42.13 H new ATOM 0 HB3 GLU A 47 -18.091 5.448 -9.686 1.00 42.13 H new ATOM 0 HG2 GLU A 47 -15.218 6.397 -10.105 1.00 73.13 H new ATOM 0 HG3 GLU A 47 -16.126 5.476 -11.288 1.00 73.13 H new ATOM 798 N GLU A 48 -17.641 4.669 -6.323 1.00 1.44 N ATOM 799 CA GLU A 48 -18.416 4.063 -5.229 1.00 13.43 C ATOM 800 C GLU A 48 -18.362 5.018 -4.018 1.00 23.25 C ATOM 801 O GLU A 48 -17.277 5.289 -3.477 1.00 11.24 O ATOM 802 CB GLU A 48 -17.873 2.653 -4.875 1.00 62.20 C ATOM 803 CG GLU A 48 -17.812 1.654 -6.053 1.00 74.20 C ATOM 804 CD GLU A 48 -19.174 1.380 -6.713 1.00 73.32 C ATOM 805 OE1 GLU A 48 -19.949 0.557 -6.176 1.00 63.33 O ATOM 806 OE2 GLU A 48 -19.482 1.978 -7.767 1.00 24.12 O ATOM 0 H GLU A 48 -16.755 4.201 -6.514 1.00 1.44 H new ATOM 0 HA GLU A 48 -19.453 3.924 -5.535 1.00 13.43 H new ATOM 0 HB2 GLU A 48 -16.871 2.761 -4.460 1.00 62.20 H new ATOM 0 HB3 GLU A 48 -18.499 2.227 -4.091 1.00 62.20 H new ATOM 0 HG2 GLU A 48 -17.125 2.039 -6.807 1.00 74.20 H new ATOM 0 HG3 GLU A 48 -17.397 0.712 -5.695 1.00 74.20 H new ATOM 813 N LYS A 49 -19.542 5.513 -3.623 1.00 15.21 N ATOM 814 CA LYS A 49 -19.688 6.674 -2.728 1.00 44.01 C ATOM 815 C LYS A 49 -19.203 6.341 -1.307 1.00 51.31 C ATOM 816 O LYS A 49 -18.210 6.909 -0.837 1.00 14.43 O ATOM 817 CB LYS A 49 -21.171 7.179 -2.693 1.00 30.53 C ATOM 818 CG LYS A 49 -21.780 7.613 -4.057 1.00 12.30 C ATOM 819 CD LYS A 49 -22.237 6.417 -4.934 1.00 1.34 C ATOM 820 CE LYS A 49 -22.782 6.844 -6.305 1.00 30.14 C ATOM 821 NZ LYS A 49 -21.749 7.528 -7.130 1.00 74.01 N ATOM 0 H LYS A 49 -20.434 5.116 -3.918 1.00 15.21 H new ATOM 0 HA LYS A 49 -19.064 7.474 -3.125 1.00 44.01 H new ATOM 0 HB2 LYS A 49 -21.793 6.387 -2.276 1.00 30.53 H new ATOM 0 HB3 LYS A 49 -21.229 8.024 -2.007 1.00 30.53 H new ATOM 0 HG2 LYS A 49 -22.632 8.267 -3.875 1.00 12.30 H new ATOM 0 HG3 LYS A 49 -21.042 8.197 -4.607 1.00 12.30 H new ATOM 0 HD2 LYS A 49 -21.396 5.740 -5.080 1.00 1.34 H new ATOM 0 HD3 LYS A 49 -23.007 5.859 -4.402 1.00 1.34 H new ATOM 0 HE2 LYS A 49 -23.149 5.967 -6.838 1.00 30.14 H new ATOM 0 HE3 LYS A 49 -23.633 7.510 -6.165 1.00 30.14 H new ATOM 0 HZ1 LYS A 49 -22.036 7.512 -8.129 1.00 74.01 H new ATOM 0 HZ2 LYS A 49 -21.650 8.514 -6.814 1.00 74.01 H new ATOM 0 HZ3 LYS A 49 -20.838 7.037 -7.023 1.00 74.01 H new ATOM 835 N ASN A 50 -19.885 5.392 -0.646 1.00 12.44 N ATOM 836 CA ASN A 50 -19.560 4.988 0.732 1.00 12.15 C ATOM 837 C ASN A 50 -19.496 3.456 0.807 1.00 54.43 C ATOM 838 O ASN A 50 -20.507 2.764 0.653 1.00 21.33 O ATOM 839 CB ASN A 50 -20.599 5.556 1.747 1.00 55.52 C ATOM 840 CG ASN A 50 -20.196 5.400 3.235 1.00 43.14 C ATOM 841 OD1 ASN A 50 -19.472 4.478 3.621 1.00 22.25 O ATOM 842 ND2 ASN A 50 -20.671 6.308 4.087 1.00 63.51 N ATOM 0 H ASN A 50 -20.673 4.885 -1.049 1.00 12.44 H new ATOM 0 HA ASN A 50 -18.589 5.401 1.004 1.00 12.15 H new ATOM 0 HB2 ASN A 50 -20.754 6.614 1.535 1.00 55.52 H new ATOM 0 HB3 ASN A 50 -21.554 5.055 1.588 1.00 55.52 H new ATOM 0 HD21 ASN A 50 -20.438 6.249 5.078 1.00 63.51 H new ATOM 0 HD22 ASN A 50 -21.268 7.062 3.748 1.00 63.51 H new ATOM 849 N PHE A 51 -18.280 2.960 1.018 1.00 44.24 N ATOM 850 CA PHE A 51 -17.989 1.560 1.346 1.00 61.34 C ATOM 851 C PHE A 51 -16.727 1.539 2.215 1.00 41.45 C ATOM 852 O PHE A 51 -16.087 2.591 2.402 1.00 13.43 O ATOM 853 CB PHE A 51 -17.848 0.673 0.066 1.00 55.42 C ATOM 854 CG PHE A 51 -16.674 1.001 -0.875 1.00 41.24 C ATOM 855 CD1 PHE A 51 -16.543 2.260 -1.460 1.00 34.32 C ATOM 856 CD2 PHE A 51 -15.718 0.035 -1.194 1.00 23.14 C ATOM 857 CE1 PHE A 51 -15.505 2.533 -2.326 1.00 11.21 C ATOM 858 CE2 PHE A 51 -14.682 0.319 -2.060 1.00 25.33 C ATOM 859 CZ PHE A 51 -14.574 1.568 -2.621 1.00 43.14 C ATOM 0 H PHE A 51 -17.440 3.537 0.965 1.00 44.24 H new ATOM 0 HA PHE A 51 -18.822 1.125 1.899 1.00 61.34 H new ATOM 0 HB2 PHE A 51 -17.752 -0.366 0.381 1.00 55.42 H new ATOM 0 HB3 PHE A 51 -18.773 0.749 -0.505 1.00 55.42 H new ATOM 0 HD1 PHE A 51 -17.264 3.031 -1.232 1.00 34.32 H new ATOM 0 HD2 PHE A 51 -15.790 -0.950 -0.756 1.00 23.14 H new ATOM 0 HE1 PHE A 51 -15.424 3.512 -2.775 1.00 11.21 H new ATOM 0 HE2 PHE A 51 -13.954 -0.443 -2.297 1.00 25.33 H new ATOM 0 HZ PHE A 51 -13.758 1.791 -3.293 1.00 43.14 H new ATOM 869 N GLU A 52 -16.370 0.365 2.753 1.00 43.32 N ATOM 870 CA GLU A 52 -15.253 0.246 3.703 1.00 23.41 C ATOM 871 C GLU A 52 -13.899 0.509 3.019 1.00 11.44 C ATOM 872 O GLU A 52 -13.772 0.406 1.791 1.00 24.14 O ATOM 873 CB GLU A 52 -15.270 -1.135 4.388 1.00 63.04 C ATOM 874 CG GLU A 52 -14.954 -2.330 3.472 1.00 65.55 C ATOM 875 CD GLU A 52 -15.140 -3.669 4.195 1.00 33.04 C ATOM 876 OE1 GLU A 52 -14.314 -3.994 5.070 1.00 21.14 O ATOM 877 OE2 GLU A 52 -16.124 -4.388 3.915 1.00 43.32 O ATOM 0 H GLU A 52 -16.838 -0.517 2.547 1.00 43.32 H new ATOM 0 HA GLU A 52 -15.383 1.010 4.469 1.00 23.41 H new ATOM 0 HB2 GLU A 52 -14.549 -1.125 5.206 1.00 63.04 H new ATOM 0 HB3 GLU A 52 -16.253 -1.289 4.832 1.00 63.04 H new ATOM 0 HG2 GLU A 52 -15.602 -2.297 2.596 1.00 65.55 H new ATOM 0 HG3 GLU A 52 -13.928 -2.251 3.113 1.00 65.55 H new ATOM 884 N LYS A 53 -12.909 0.859 3.846 1.00 2.02 N ATOM 885 CA LYS A 53 -11.562 1.239 3.399 1.00 64.44 C ATOM 886 C LYS A 53 -10.794 0.015 2.857 1.00 72.30 C ATOM 887 O LYS A 53 -10.961 -1.118 3.341 1.00 54.24 O ATOM 888 CB LYS A 53 -10.829 1.911 4.576 1.00 43.10 C ATOM 889 CG LYS A 53 -10.620 1.003 5.810 1.00 24.01 C ATOM 890 CD LYS A 53 -10.469 1.785 7.125 1.00 1.22 C ATOM 891 CE LYS A 53 -11.742 2.558 7.503 1.00 43.23 C ATOM 892 NZ LYS A 53 -11.596 3.264 8.795 1.00 32.23 N ATOM 0 H LYS A 53 -13.021 0.887 4.859 1.00 2.02 H new ATOM 0 HA LYS A 53 -11.627 1.948 2.574 1.00 64.44 H new ATOM 0 HB2 LYS A 53 -9.856 2.259 4.229 1.00 43.10 H new ATOM 0 HB3 LYS A 53 -11.393 2.792 4.882 1.00 43.10 H new ATOM 0 HG2 LYS A 53 -11.465 0.320 5.897 1.00 24.01 H new ATOM 0 HG3 LYS A 53 -9.731 0.391 5.655 1.00 24.01 H new ATOM 0 HD2 LYS A 53 -10.217 1.093 7.928 1.00 1.22 H new ATOM 0 HD3 LYS A 53 -9.638 2.484 7.034 1.00 1.22 H new ATOM 0 HE2 LYS A 53 -11.975 3.279 6.720 1.00 43.23 H new ATOM 0 HE3 LYS A 53 -12.583 1.867 7.560 1.00 43.23 H new ATOM 0 HZ1 LYS A 53 -12.534 3.407 9.220 1.00 32.23 H new ATOM 0 HZ2 LYS A 53 -11.008 2.695 9.437 1.00 32.23 H new ATOM 0 HZ3 LYS A 53 -11.143 4.187 8.637 1.00 32.23 H new ATOM 906 N ILE A 54 -9.946 0.266 1.851 1.00 14.41 N ATOM 907 CA ILE A 54 -9.388 -0.777 0.978 1.00 1.13 C ATOM 908 C ILE A 54 -7.883 -0.894 1.210 1.00 34.45 C ATOM 909 O ILE A 54 -7.194 0.114 1.435 1.00 14.12 O ATOM 910 CB ILE A 54 -9.657 -0.468 -0.554 1.00 62.53 C ATOM 911 CG1 ILE A 54 -11.160 -0.113 -0.815 1.00 40.44 C ATOM 912 CG2 ILE A 54 -9.212 -1.638 -1.467 1.00 31.14 C ATOM 913 CD1 ILE A 54 -11.551 1.321 -0.495 1.00 31.20 C ATOM 0 H ILE A 54 -9.625 1.206 1.618 1.00 14.41 H new ATOM 0 HA ILE A 54 -9.883 -1.716 1.228 1.00 1.13 H new ATOM 0 HB ILE A 54 -9.052 0.403 -0.807 1.00 62.53 H new ATOM 0 HG12 ILE A 54 -11.386 -0.309 -1.863 1.00 40.44 H new ATOM 0 HG13 ILE A 54 -11.783 -0.783 -0.223 1.00 40.44 H new ATOM 0 HG21 ILE A 54 -9.414 -1.385 -2.508 1.00 31.14 H new ATOM 0 HG22 ILE A 54 -8.144 -1.815 -1.337 1.00 31.14 H new ATOM 0 HG23 ILE A 54 -9.764 -2.539 -1.199 1.00 31.14 H new ATOM 0 HD11 ILE A 54 -12.610 1.466 -0.709 1.00 31.20 H new ATOM 0 HD12 ILE A 54 -11.363 1.523 0.560 1.00 31.20 H new ATOM 0 HD13 ILE A 54 -10.960 2.004 -1.106 1.00 31.20 H new ATOM 925 N LEU A 55 -7.386 -2.129 1.138 1.00 70.42 N ATOM 926 CA LEU A 55 -5.964 -2.417 1.193 1.00 35.34 C ATOM 927 C LEU A 55 -5.465 -2.690 -0.238 1.00 3.12 C ATOM 928 O LEU A 55 -5.836 -3.694 -0.861 1.00 30.44 O ATOM 929 CB LEU A 55 -5.684 -3.604 2.160 1.00 63.23 C ATOM 930 CG LEU A 55 -4.168 -3.884 2.472 1.00 50.35 C ATOM 931 CD1 LEU A 55 -3.937 -4.228 3.959 1.00 40.32 C ATOM 932 CD2 LEU A 55 -3.583 -4.978 1.546 1.00 52.53 C ATOM 0 H LEU A 55 -7.969 -2.960 1.039 1.00 70.42 H new ATOM 0 HA LEU A 55 -5.416 -1.563 1.591 1.00 35.34 H new ATOM 0 HB2 LEU A 55 -6.201 -3.412 3.101 1.00 63.23 H new ATOM 0 HB3 LEU A 55 -6.122 -4.507 1.734 1.00 63.23 H new ATOM 0 HG LEU A 55 -3.631 -2.958 2.267 1.00 50.35 H new ATOM 0 HD11 LEU A 55 -2.876 -4.414 4.129 1.00 40.32 H new ATOM 0 HD12 LEU A 55 -4.263 -3.394 4.580 1.00 40.32 H new ATOM 0 HD13 LEU A 55 -4.508 -5.119 4.219 1.00 40.32 H new ATOM 0 HD21 LEU A 55 -2.534 -5.142 1.794 1.00 52.53 H new ATOM 0 HD22 LEU A 55 -4.138 -5.906 1.684 1.00 52.53 H new ATOM 0 HD23 LEU A 55 -3.665 -4.657 0.507 1.00 52.53 H new ATOM 944 N ILE A 56 -4.650 -1.761 -0.746 1.00 11.42 N ATOM 945 CA ILE A 56 -4.005 -1.859 -2.060 1.00 5.32 C ATOM 946 C ILE A 56 -2.575 -2.414 -1.861 1.00 50.21 C ATOM 947 O ILE A 56 -1.912 -2.103 -0.876 1.00 25.11 O ATOM 948 CB ILE A 56 -3.922 -0.435 -2.756 1.00 63.24 C ATOM 949 CG1 ILE A 56 -5.318 0.282 -2.801 1.00 24.43 C ATOM 950 CG2 ILE A 56 -3.306 -0.525 -4.181 1.00 24.23 C ATOM 951 CD1 ILE A 56 -6.371 -0.373 -3.678 1.00 42.10 C ATOM 0 H ILE A 56 -4.415 -0.903 -0.247 1.00 11.42 H new ATOM 0 HA ILE A 56 -4.591 -2.519 -2.699 1.00 5.32 H new ATOM 0 HB ILE A 56 -3.258 0.171 -2.140 1.00 63.24 H new ATOM 0 HG12 ILE A 56 -5.706 0.343 -1.784 1.00 24.43 H new ATOM 0 HG13 ILE A 56 -5.169 1.305 -3.148 1.00 24.43 H new ATOM 0 HG21 ILE A 56 -3.266 0.470 -4.624 1.00 24.23 H new ATOM 0 HG22 ILE A 56 -2.298 -0.934 -4.116 1.00 24.23 H new ATOM 0 HG23 ILE A 56 -3.922 -1.175 -4.803 1.00 24.23 H new ATOM 0 HD11 ILE A 56 -7.293 0.206 -3.633 1.00 42.10 H new ATOM 0 HD12 ILE A 56 -6.015 -0.410 -4.708 1.00 42.10 H new ATOM 0 HD13 ILE A 56 -6.561 -1.386 -3.323 1.00 42.10 H new ATOM 963 N ILE A 57 -2.143 -3.276 -2.776 1.00 5.44 N ATOM 964 CA ILE A 57 -0.760 -3.772 -2.872 1.00 45.13 C ATOM 965 C ILE A 57 -0.283 -3.475 -4.303 1.00 24.23 C ATOM 966 O ILE A 57 -1.106 -3.266 -5.196 1.00 34.23 O ATOM 967 CB ILE A 57 -0.664 -5.334 -2.580 1.00 72.13 C ATOM 968 CG1 ILE A 57 -1.337 -5.703 -1.217 1.00 62.10 C ATOM 969 CG2 ILE A 57 0.807 -5.839 -2.605 1.00 61.42 C ATOM 970 CD1 ILE A 57 -1.380 -7.197 -0.899 1.00 3.11 C ATOM 0 H ILE A 57 -2.756 -3.664 -3.494 1.00 5.44 H new ATOM 0 HA ILE A 57 -0.138 -3.278 -2.126 1.00 45.13 H new ATOM 0 HB ILE A 57 -1.207 -5.836 -3.381 1.00 72.13 H new ATOM 0 HG12 ILE A 57 -0.803 -5.192 -0.416 1.00 62.10 H new ATOM 0 HG13 ILE A 57 -2.357 -5.318 -1.217 1.00 62.10 H new ATOM 0 HG21 ILE A 57 0.828 -6.910 -2.401 1.00 61.42 H new ATOM 0 HG22 ILE A 57 1.241 -5.648 -3.587 1.00 61.42 H new ATOM 0 HG23 ILE A 57 1.385 -5.314 -1.845 1.00 61.42 H new ATOM 0 HD11 ILE A 57 -1.865 -7.350 0.065 1.00 3.11 H new ATOM 0 HD12 ILE A 57 -1.942 -7.718 -1.674 1.00 3.11 H new ATOM 0 HD13 ILE A 57 -0.364 -7.590 -0.861 1.00 3.11 H new ATOM 982 N SER A 58 1.031 -3.405 -4.514 1.00 11.33 N ATOM 983 CA SER A 58 1.628 -3.388 -5.854 1.00 50.51 C ATOM 984 C SER A 58 2.913 -4.211 -5.853 1.00 35.54 C ATOM 985 O SER A 58 3.658 -4.237 -4.863 1.00 14.34 O ATOM 986 CB SER A 58 1.901 -1.952 -6.343 1.00 11.42 C ATOM 987 OG SER A 58 0.695 -1.225 -6.484 1.00 43.33 O ATOM 0 H SER A 58 1.716 -3.358 -3.759 1.00 11.33 H new ATOM 0 HA SER A 58 0.915 -3.831 -6.549 1.00 50.51 H new ATOM 0 HB2 SER A 58 2.556 -1.442 -5.637 1.00 11.42 H new ATOM 0 HB3 SER A 58 2.425 -1.983 -7.298 1.00 11.42 H new ATOM 0 HG SER A 58 -0.061 -1.793 -6.228 1.00 43.33 H new ATOM 993 N ASN A 59 3.150 -4.874 -6.984 1.00 5.35 N ATOM 994 CA ASN A 59 4.352 -5.689 -7.222 1.00 34.44 C ATOM 995 C ASN A 59 5.557 -4.774 -7.563 1.00 60.01 C ATOM 996 O ASN A 59 6.709 -5.214 -7.544 1.00 72.01 O ATOM 997 CB ASN A 59 4.078 -6.678 -8.399 1.00 60.04 C ATOM 998 CG ASN A 59 2.837 -7.573 -8.211 1.00 25.31 C ATOM 999 OD1 ASN A 59 1.876 -7.217 -7.524 1.00 61.53 O ATOM 1000 ND2 ASN A 59 2.825 -8.728 -8.865 1.00 14.51 N ATOM 0 H ASN A 59 2.506 -4.863 -7.775 1.00 5.35 H new ATOM 0 HA ASN A 59 4.591 -6.255 -6.322 1.00 34.44 H new ATOM 0 HB2 ASN A 59 3.960 -6.104 -9.318 1.00 60.04 H new ATOM 0 HB3 ASN A 59 4.952 -7.315 -8.531 1.00 60.04 H new ATOM 0 HD21 ASN A 59 2.011 -9.340 -8.805 1.00 14.51 H new ATOM 0 HD22 ASN A 59 3.630 -9.004 -9.428 1.00 14.51 H new ATOM 1007 N ASP A 60 5.254 -3.491 -7.866 1.00 64.10 N ATOM 1008 CA ASP A 60 6.220 -2.502 -8.373 1.00 70.21 C ATOM 1009 C ASP A 60 6.010 -1.137 -7.675 1.00 51.40 C ATOM 1010 O ASP A 60 4.910 -0.840 -7.192 1.00 24.43 O ATOM 1011 CB ASP A 60 6.034 -2.390 -9.905 1.00 51.35 C ATOM 1012 CG ASP A 60 6.901 -1.319 -10.570 1.00 21.41 C ATOM 1013 OD1 ASP A 60 8.113 -1.553 -10.742 1.00 23.12 O ATOM 1014 OD2 ASP A 60 6.380 -0.238 -10.904 1.00 22.30 O ATOM 0 H ASP A 60 4.313 -3.112 -7.761 1.00 64.10 H new ATOM 0 HA ASP A 60 7.240 -2.818 -8.155 1.00 70.21 H new ATOM 0 HB2 ASP A 60 6.260 -3.356 -10.358 1.00 51.35 H new ATOM 0 HB3 ASP A 60 4.987 -2.175 -10.117 1.00 51.35 H new ATOM 1019 N LYS A 61 7.076 -0.318 -7.640 1.00 54.42 N ATOM 1020 CA LYS A 61 7.116 0.961 -6.892 1.00 43.41 C ATOM 1021 C LYS A 61 6.579 2.147 -7.718 1.00 34.34 C ATOM 1022 O LYS A 61 6.018 3.096 -7.154 1.00 54.20 O ATOM 1023 CB LYS A 61 8.573 1.232 -6.434 1.00 75.31 C ATOM 1024 CG LYS A 61 9.142 0.135 -5.512 1.00 30.24 C ATOM 1025 CD LYS A 61 10.642 0.303 -5.188 1.00 2.14 C ATOM 1026 CE LYS A 61 11.160 -0.795 -4.240 1.00 51.41 C ATOM 1027 NZ LYS A 61 12.631 -0.728 -4.052 1.00 33.32 N ATOM 0 H LYS A 61 7.945 -0.523 -8.133 1.00 54.42 H new ATOM 0 HA LYS A 61 6.461 0.867 -6.026 1.00 43.41 H new ATOM 0 HB2 LYS A 61 9.211 1.323 -7.313 1.00 75.31 H new ATOM 0 HB3 LYS A 61 8.610 2.189 -5.913 1.00 75.31 H new ATOM 0 HG2 LYS A 61 8.578 0.130 -4.579 1.00 30.24 H new ATOM 0 HG3 LYS A 61 8.989 -0.836 -5.983 1.00 30.24 H new ATOM 0 HD2 LYS A 61 11.216 0.281 -6.114 1.00 2.14 H new ATOM 0 HD3 LYS A 61 10.806 1.280 -4.734 1.00 2.14 H new ATOM 0 HE2 LYS A 61 10.667 -0.699 -3.272 1.00 51.41 H new ATOM 0 HE3 LYS A 61 10.891 -1.773 -4.639 1.00 51.41 H new ATOM 0 HZ1 LYS A 61 12.869 -1.001 -3.077 1.00 33.32 H new ATOM 0 HZ2 LYS A 61 13.096 -1.378 -4.717 1.00 33.32 H new ATOM 0 HZ3 LYS A 61 12.960 0.242 -4.230 1.00 33.32 H new ATOM 1041 N GLN A 62 6.757 2.092 -9.053 1.00 41.52 N ATOM 1042 CA GLN A 62 6.322 3.175 -9.968 1.00 30.51 C ATOM 1043 C GLN A 62 4.784 3.224 -10.067 1.00 24.40 C ATOM 1044 O GLN A 62 4.204 4.286 -10.342 1.00 40.21 O ATOM 1045 CB GLN A 62 6.961 2.999 -11.373 1.00 25.12 C ATOM 1046 CG GLN A 62 8.505 2.952 -11.363 1.00 22.04 C ATOM 1047 CD GLN A 62 9.116 2.832 -12.760 1.00 4.44 C ATOM 1048 OE1 GLN A 62 9.335 1.732 -13.268 1.00 50.20 O ATOM 1049 NE2 GLN A 62 9.387 3.963 -13.397 1.00 15.44 N ATOM 0 H GLN A 62 7.201 1.306 -9.527 1.00 41.52 H new ATOM 0 HA GLN A 62 6.664 4.125 -9.557 1.00 30.51 H new ATOM 0 HB2 GLN A 62 6.583 2.079 -11.819 1.00 25.12 H new ATOM 0 HB3 GLN A 62 6.637 3.820 -12.013 1.00 25.12 H new ATOM 0 HG2 GLN A 62 8.886 3.854 -10.884 1.00 22.04 H new ATOM 0 HG3 GLN A 62 8.832 2.107 -10.757 1.00 22.04 H new ATOM 0 HE21 GLN A 62 9.194 4.859 -12.950 1.00 15.44 H new ATOM 0 HE22 GLN A 62 9.788 3.937 -14.334 1.00 15.44 H new ATOM 1058 N LEU A 63 4.141 2.063 -9.824 1.00 62.44 N ATOM 1059 CA LEU A 63 2.668 1.956 -9.739 1.00 32.13 C ATOM 1060 C LEU A 63 2.155 2.805 -8.559 1.00 51.01 C ATOM 1061 O LEU A 63 1.172 3.559 -8.676 1.00 54.30 O ATOM 1062 CB LEU A 63 2.232 0.470 -9.549 1.00 34.43 C ATOM 1063 CG LEU A 63 2.785 -0.559 -10.587 1.00 2.31 C ATOM 1064 CD1 LEU A 63 2.255 -1.983 -10.319 1.00 61.34 C ATOM 1065 CD2 LEU A 63 2.503 -0.121 -12.036 1.00 21.33 C ATOM 0 H LEU A 63 4.625 1.176 -9.682 1.00 62.44 H new ATOM 0 HA LEU A 63 2.238 2.325 -10.670 1.00 32.13 H new ATOM 0 HB2 LEU A 63 2.540 0.149 -8.554 1.00 34.43 H new ATOM 0 HB3 LEU A 63 1.143 0.428 -9.575 1.00 34.43 H new ATOM 0 HG LEU A 63 3.867 -0.584 -10.460 1.00 2.31 H new ATOM 0 HD11 LEU A 63 2.662 -2.669 -11.062 1.00 61.34 H new ATOM 0 HD12 LEU A 63 2.561 -2.304 -9.323 1.00 61.34 H new ATOM 0 HD13 LEU A 63 1.167 -1.984 -10.382 1.00 61.34 H new ATOM 0 HD21 LEU A 63 2.904 -0.864 -12.725 1.00 21.33 H new ATOM 0 HD22 LEU A 63 1.427 -0.030 -12.186 1.00 21.33 H new ATOM 0 HD23 LEU A 63 2.978 0.842 -12.224 1.00 21.33 H new ATOM 1077 N LEU A 64 2.882 2.688 -7.431 1.00 31.40 N ATOM 1078 CA LEU A 64 2.565 3.387 -6.184 1.00 22.21 C ATOM 1079 C LEU A 64 2.698 4.892 -6.355 1.00 2.11 C ATOM 1080 O LEU A 64 1.792 5.609 -5.984 1.00 22.44 O ATOM 1081 CB LEU A 64 3.496 2.925 -5.045 1.00 33.51 C ATOM 1082 CG LEU A 64 3.442 1.416 -4.695 1.00 44.14 C ATOM 1083 CD1 LEU A 64 4.451 1.080 -3.600 1.00 55.10 C ATOM 1084 CD2 LEU A 64 2.018 0.983 -4.288 1.00 20.12 C ATOM 0 H LEU A 64 3.712 2.099 -7.366 1.00 31.40 H new ATOM 0 HA LEU A 64 1.533 3.145 -5.928 1.00 22.21 H new ATOM 0 HB2 LEU A 64 4.521 3.179 -5.314 1.00 33.51 H new ATOM 0 HB3 LEU A 64 3.252 3.495 -4.149 1.00 33.51 H new ATOM 0 HG LEU A 64 3.711 0.856 -5.590 1.00 44.14 H new ATOM 0 HD11 LEU A 64 4.397 0.016 -3.369 1.00 55.10 H new ATOM 0 HD12 LEU A 64 5.456 1.326 -3.943 1.00 55.10 H new ATOM 0 HD13 LEU A 64 4.222 1.658 -2.704 1.00 55.10 H new ATOM 0 HD21 LEU A 64 2.015 -0.080 -4.049 1.00 20.12 H new ATOM 0 HD22 LEU A 64 1.700 1.552 -3.414 1.00 20.12 H new ATOM 0 HD23 LEU A 64 1.331 1.171 -5.113 1.00 20.12 H new ATOM 1096 N LYS A 65 3.821 5.346 -6.956 1.00 72.14 N ATOM 1097 CA LYS A 65 4.160 6.782 -7.076 1.00 11.12 C ATOM 1098 C LYS A 65 3.000 7.569 -7.713 1.00 53.34 C ATOM 1099 O LYS A 65 2.612 8.629 -7.219 1.00 14.53 O ATOM 1100 CB LYS A 65 5.466 6.941 -7.906 1.00 40.24 C ATOM 1101 CG LYS A 65 5.987 8.390 -8.061 1.00 14.02 C ATOM 1102 CD LYS A 65 6.277 9.078 -6.703 1.00 53.25 C ATOM 1103 CE LYS A 65 6.988 10.435 -6.858 1.00 32.22 C ATOM 1104 NZ LYS A 65 6.213 11.414 -7.669 1.00 74.45 N ATOM 0 H LYS A 65 4.517 4.727 -7.371 1.00 72.14 H new ATOM 0 HA LYS A 65 4.324 7.192 -6.080 1.00 11.12 H new ATOM 0 HB2 LYS A 65 6.247 6.341 -7.439 1.00 40.24 H new ATOM 0 HB3 LYS A 65 5.297 6.527 -8.900 1.00 40.24 H new ATOM 0 HG2 LYS A 65 6.898 8.381 -8.659 1.00 14.02 H new ATOM 0 HG3 LYS A 65 5.251 8.978 -8.610 1.00 14.02 H new ATOM 0 HD2 LYS A 65 5.339 9.224 -6.168 1.00 53.25 H new ATOM 0 HD3 LYS A 65 6.893 8.419 -6.092 1.00 53.25 H new ATOM 0 HE2 LYS A 65 7.172 10.856 -5.870 1.00 32.22 H new ATOM 0 HE3 LYS A 65 7.961 10.277 -7.323 1.00 32.22 H new ATOM 0 HZ1 LYS A 65 6.402 12.377 -7.324 1.00 74.45 H new ATOM 0 HZ2 LYS A 65 6.498 11.341 -8.666 1.00 74.45 H new ATOM 0 HZ3 LYS A 65 5.197 11.208 -7.584 1.00 74.45 H new ATOM 1118 N GLU A 66 2.439 6.999 -8.790 1.00 53.42 N ATOM 1119 CA GLU A 66 1.233 7.523 -9.443 1.00 12.52 C ATOM 1120 C GLU A 66 0.026 7.520 -8.480 1.00 74.33 C ATOM 1121 O GLU A 66 -0.559 8.580 -8.216 1.00 54.24 O ATOM 1122 CB GLU A 66 0.916 6.693 -10.716 1.00 71.15 C ATOM 1123 CG GLU A 66 2.033 6.702 -11.784 1.00 64.44 C ATOM 1124 CD GLU A 66 2.362 8.117 -12.304 1.00 53.21 C ATOM 1125 OE1 GLU A 66 1.584 8.659 -13.122 1.00 41.23 O ATOM 1126 OE2 GLU A 66 3.385 8.704 -11.889 1.00 54.11 O ATOM 0 H GLU A 66 2.811 6.159 -9.233 1.00 53.42 H new ATOM 0 HA GLU A 66 1.423 8.557 -9.730 1.00 12.52 H new ATOM 0 HB2 GLU A 66 0.721 5.662 -10.422 1.00 71.15 H new ATOM 0 HB3 GLU A 66 -0.001 7.076 -11.165 1.00 71.15 H new ATOM 0 HG2 GLU A 66 2.934 6.258 -11.362 1.00 64.44 H new ATOM 0 HG3 GLU A 66 1.731 6.074 -12.622 1.00 64.44 H new ATOM 1133 N MET A 67 -0.304 6.331 -7.925 1.00 74.23 N ATOM 1134 CA MET A 67 -1.536 6.133 -7.119 1.00 13.42 C ATOM 1135 C MET A 67 -1.576 6.994 -5.837 1.00 61.22 C ATOM 1136 O MET A 67 -2.632 7.490 -5.491 1.00 31.31 O ATOM 1137 CB MET A 67 -1.738 4.638 -6.767 1.00 32.52 C ATOM 1138 CG MET A 67 -2.146 3.754 -7.951 1.00 21.14 C ATOM 1139 SD MET A 67 -2.564 2.067 -7.460 1.00 43.32 S ATOM 1140 CE MET A 67 -0.986 1.456 -6.887 1.00 42.31 C ATOM 0 H MET A 67 0.266 5.491 -8.020 1.00 74.23 H new ATOM 0 HA MET A 67 -2.360 6.469 -7.749 1.00 13.42 H new ATOM 0 HB2 MET A 67 -0.812 4.250 -6.343 1.00 32.52 H new ATOM 0 HB3 MET A 67 -2.501 4.560 -5.992 1.00 32.52 H new ATOM 0 HG2 MET A 67 -3.002 4.203 -8.454 1.00 21.14 H new ATOM 0 HG3 MET A 67 -1.331 3.725 -8.674 1.00 21.14 H new ATOM 0 HE1 MET A 67 -0.700 0.582 -7.472 1.00 42.31 H new ATOM 0 HE2 MET A 67 -0.231 2.233 -7.004 1.00 42.31 H new ATOM 0 HE3 MET A 67 -1.063 1.180 -5.835 1.00 42.31 H new ATOM 1150 N LEU A 68 -0.432 7.166 -5.148 1.00 41.43 N ATOM 1151 CA LEU A 68 -0.317 8.022 -3.934 1.00 43.14 C ATOM 1152 C LEU A 68 -0.855 9.444 -4.210 1.00 51.34 C ATOM 1153 O LEU A 68 -1.607 10.008 -3.413 1.00 12.54 O ATOM 1154 CB LEU A 68 1.171 8.119 -3.482 1.00 50.52 C ATOM 1155 CG LEU A 68 1.883 6.784 -3.081 1.00 3.13 C ATOM 1156 CD1 LEU A 68 3.396 6.993 -2.879 1.00 44.21 C ATOM 1157 CD2 LEU A 68 1.248 6.146 -1.830 1.00 1.11 C ATOM 0 H LEU A 68 0.445 6.718 -5.412 1.00 41.43 H new ATOM 0 HA LEU A 68 -0.912 7.564 -3.144 1.00 43.14 H new ATOM 0 HB2 LEU A 68 1.741 8.577 -4.291 1.00 50.52 H new ATOM 0 HB3 LEU A 68 1.223 8.799 -2.631 1.00 50.52 H new ATOM 0 HG LEU A 68 1.744 6.090 -3.910 1.00 3.13 H new ATOM 0 HD11 LEU A 68 3.860 6.047 -2.601 1.00 44.21 H new ATOM 0 HD12 LEU A 68 3.840 7.357 -3.806 1.00 44.21 H new ATOM 0 HD13 LEU A 68 3.560 7.724 -2.087 1.00 44.21 H new ATOM 0 HD21 LEU A 68 1.772 5.222 -1.587 1.00 1.11 H new ATOM 0 HD22 LEU A 68 1.323 6.838 -0.991 1.00 1.11 H new ATOM 0 HD23 LEU A 68 0.199 5.927 -2.026 1.00 1.11 H new ATOM 1169 N GLU A 69 -0.481 9.969 -5.387 1.00 51.42 N ATOM 1170 CA GLU A 69 -0.815 11.332 -5.824 1.00 61.14 C ATOM 1171 C GLU A 69 -2.246 11.399 -6.407 1.00 24.03 C ATOM 1172 O GLU A 69 -2.896 12.451 -6.349 1.00 62.10 O ATOM 1173 CB GLU A 69 0.253 11.806 -6.846 1.00 51.13 C ATOM 1174 CG GLU A 69 1.690 11.818 -6.272 1.00 5.22 C ATOM 1175 CD GLU A 69 2.758 12.247 -7.296 1.00 5.22 C ATOM 1176 OE1 GLU A 69 2.929 13.463 -7.518 1.00 44.21 O ATOM 1177 OE2 GLU A 69 3.427 11.377 -7.895 1.00 31.31 O ATOM 0 H GLU A 69 0.070 9.451 -6.071 1.00 51.42 H new ATOM 0 HA GLU A 69 -0.803 12.005 -4.966 1.00 61.14 H new ATOM 0 HB2 GLU A 69 0.224 11.154 -7.719 1.00 51.13 H new ATOM 0 HB3 GLU A 69 -0.002 12.809 -7.188 1.00 51.13 H new ATOM 0 HG2 GLU A 69 1.726 12.494 -5.417 1.00 5.22 H new ATOM 0 HG3 GLU A 69 1.933 10.822 -5.901 1.00 5.22 H new ATOM 1184 N LEU A 70 -2.733 10.261 -6.949 1.00 12.04 N ATOM 1185 CA LEU A 70 -4.112 10.143 -7.471 1.00 35.04 C ATOM 1186 C LEU A 70 -5.126 10.145 -6.313 1.00 23.31 C ATOM 1187 O LEU A 70 -6.055 10.944 -6.306 1.00 64.11 O ATOM 1188 CB LEU A 70 -4.270 8.870 -8.347 1.00 11.21 C ATOM 1189 CG LEU A 70 -3.461 8.863 -9.682 1.00 4.41 C ATOM 1190 CD1 LEU A 70 -3.666 7.548 -10.461 1.00 62.43 C ATOM 1191 CD2 LEU A 70 -3.801 10.094 -10.553 1.00 64.14 C ATOM 0 H LEU A 70 -2.186 9.405 -7.037 1.00 12.04 H new ATOM 0 HA LEU A 70 -4.313 11.007 -8.104 1.00 35.04 H new ATOM 0 HB2 LEU A 70 -3.969 8.005 -7.756 1.00 11.21 H new ATOM 0 HB3 LEU A 70 -5.326 8.742 -8.583 1.00 11.21 H new ATOM 0 HG LEU A 70 -2.404 8.926 -9.423 1.00 4.41 H new ATOM 0 HD11 LEU A 70 -3.088 7.578 -11.385 1.00 62.43 H new ATOM 0 HD12 LEU A 70 -3.332 6.708 -9.852 1.00 62.43 H new ATOM 0 HD13 LEU A 70 -4.723 7.427 -10.698 1.00 62.43 H new ATOM 0 HD21 LEU A 70 -3.221 10.059 -11.475 1.00 64.14 H new ATOM 0 HD22 LEU A 70 -4.864 10.088 -10.793 1.00 64.14 H new ATOM 0 HD23 LEU A 70 -3.558 11.005 -10.006 1.00 64.14 H new ATOM 1203 N ILE A 71 -4.899 9.270 -5.326 1.00 34.33 N ATOM 1204 CA ILE A 71 -5.719 9.162 -4.097 1.00 43.41 C ATOM 1205 C ILE A 71 -5.698 10.499 -3.311 1.00 53.30 C ATOM 1206 O ILE A 71 -6.699 10.895 -2.691 1.00 54.33 O ATOM 1207 CB ILE A 71 -5.193 7.971 -3.206 1.00 71.23 C ATOM 1208 CG1 ILE A 71 -5.226 6.631 -4.010 1.00 54.14 C ATOM 1209 CG2 ILE A 71 -5.991 7.822 -1.891 1.00 43.22 C ATOM 1210 CD1 ILE A 71 -4.466 5.477 -3.371 1.00 11.12 C ATOM 0 H ILE A 71 -4.129 8.602 -5.352 1.00 34.33 H new ATOM 0 HA ILE A 71 -6.753 8.955 -4.375 1.00 43.41 H new ATOM 0 HB ILE A 71 -4.163 8.206 -2.936 1.00 71.23 H new ATOM 0 HG12 ILE A 71 -6.265 6.331 -4.145 1.00 54.14 H new ATOM 0 HG13 ILE A 71 -4.815 6.811 -5.003 1.00 54.14 H new ATOM 0 HG21 ILE A 71 -5.590 6.989 -1.314 1.00 43.22 H new ATOM 0 HG22 ILE A 71 -5.908 8.740 -1.309 1.00 43.22 H new ATOM 0 HG23 ILE A 71 -7.039 7.632 -2.121 1.00 43.22 H new ATOM 0 HD11 ILE A 71 -4.548 4.593 -4.003 1.00 11.12 H new ATOM 0 HD12 ILE A 71 -3.416 5.749 -3.262 1.00 11.12 H new ATOM 0 HD13 ILE A 71 -4.889 5.262 -2.390 1.00 11.12 H new ATOM 1222 N SER A 72 -4.558 11.210 -3.403 1.00 41.52 N ATOM 1223 CA SER A 72 -4.381 12.536 -2.800 1.00 54.12 C ATOM 1224 C SER A 72 -5.289 13.584 -3.485 1.00 22.34 C ATOM 1225 O SER A 72 -5.930 14.385 -2.797 1.00 21.42 O ATOM 1226 CB SER A 72 -2.904 12.956 -2.893 1.00 71.23 C ATOM 1227 OG SER A 72 -2.645 14.165 -2.210 1.00 12.30 O ATOM 0 H SER A 72 -3.733 10.875 -3.901 1.00 41.52 H new ATOM 0 HA SER A 72 -4.671 12.482 -1.751 1.00 54.12 H new ATOM 0 HB2 SER A 72 -2.277 12.166 -2.479 1.00 71.23 H new ATOM 0 HB3 SER A 72 -2.626 13.067 -3.941 1.00 71.23 H new ATOM 0 HG SER A 72 -1.695 14.392 -2.295 1.00 12.30 H new ATOM 1233 N LYS A 73 -5.362 13.567 -4.846 1.00 52.52 N ATOM 1234 CA LYS A 73 -6.232 14.512 -5.595 1.00 14.34 C ATOM 1235 C LYS A 73 -7.712 14.062 -5.558 1.00 23.21 C ATOM 1236 O LYS A 73 -8.609 14.857 -5.868 1.00 11.52 O ATOM 1237 CB LYS A 73 -5.708 14.789 -7.054 1.00 51.10 C ATOM 1238 CG LYS A 73 -5.571 13.593 -8.042 1.00 53.45 C ATOM 1239 CD LYS A 73 -6.904 13.031 -8.607 1.00 2.42 C ATOM 1240 CE LYS A 73 -7.769 14.087 -9.318 1.00 22.30 C ATOM 1241 NZ LYS A 73 -7.137 14.606 -10.563 1.00 33.02 N ATOM 0 H LYS A 73 -4.838 12.920 -5.436 1.00 52.52 H new ATOM 0 HA LYS A 73 -6.183 15.474 -5.084 1.00 14.34 H new ATOM 0 HB2 LYS A 73 -6.375 15.520 -7.511 1.00 51.10 H new ATOM 0 HB3 LYS A 73 -4.729 15.261 -6.969 1.00 51.10 H new ATOM 0 HG2 LYS A 73 -4.946 13.906 -8.879 1.00 53.45 H new ATOM 0 HG3 LYS A 73 -5.043 12.785 -7.535 1.00 53.45 H new ATOM 0 HD2 LYS A 73 -6.681 12.226 -9.307 1.00 2.42 H new ATOM 0 HD3 LYS A 73 -7.479 12.593 -7.791 1.00 2.42 H new ATOM 0 HE2 LYS A 73 -8.738 13.652 -9.562 1.00 22.30 H new ATOM 0 HE3 LYS A 73 -7.954 14.917 -8.636 1.00 22.30 H new ATOM 0 HZ1 LYS A 73 -7.762 15.313 -11.001 1.00 33.02 H new ATOM 0 HZ2 LYS A 73 -6.224 15.047 -10.331 1.00 33.02 H new ATOM 0 HZ3 LYS A 73 -6.984 13.821 -11.228 1.00 33.02 H new ATOM 1255 N LEU A 74 -7.955 12.779 -5.189 1.00 62.41 N ATOM 1256 CA LEU A 74 -9.311 12.285 -4.845 1.00 14.45 C ATOM 1257 C LEU A 74 -9.730 12.898 -3.502 1.00 24.54 C ATOM 1258 O LEU A 74 -10.909 13.133 -3.253 1.00 20.53 O ATOM 1259 CB LEU A 74 -9.367 10.727 -4.739 1.00 14.02 C ATOM 1260 CG LEU A 74 -9.023 9.909 -6.025 1.00 31.01 C ATOM 1261 CD1 LEU A 74 -9.159 8.384 -5.790 1.00 42.43 C ATOM 1262 CD2 LEU A 74 -9.866 10.371 -7.229 1.00 51.03 C ATOM 0 H LEU A 74 -7.227 12.067 -5.122 1.00 62.41 H new ATOM 0 HA LEU A 74 -9.991 12.582 -5.644 1.00 14.45 H new ATOM 0 HB2 LEU A 74 -8.682 10.418 -3.949 1.00 14.02 H new ATOM 0 HB3 LEU A 74 -10.370 10.446 -4.419 1.00 14.02 H new ATOM 0 HG LEU A 74 -7.977 10.106 -6.261 1.00 31.01 H new ATOM 0 HD11 LEU A 74 -8.911 7.851 -6.708 1.00 42.43 H new ATOM 0 HD12 LEU A 74 -8.478 8.076 -4.996 1.00 42.43 H new ATOM 0 HD13 LEU A 74 -10.183 8.150 -5.500 1.00 42.43 H new ATOM 0 HD21 LEU A 74 -9.601 9.781 -8.106 1.00 51.03 H new ATOM 0 HD22 LEU A 74 -10.924 10.235 -7.006 1.00 51.03 H new ATOM 0 HD23 LEU A 74 -9.670 11.425 -7.428 1.00 51.03 H new ATOM 1274 N GLY A 75 -8.723 13.137 -2.643 1.00 15.53 N ATOM 1275 CA GLY A 75 -8.928 13.761 -1.343 1.00 25.24 C ATOM 1276 C GLY A 75 -9.188 12.734 -0.262 1.00 53.41 C ATOM 1277 O GLY A 75 -9.850 13.017 0.739 1.00 1.34 O ATOM 0 H GLY A 75 -7.750 12.900 -2.839 1.00 15.53 H new ATOM 0 HA2 GLY A 75 -8.050 14.351 -1.080 1.00 25.24 H new ATOM 0 HA3 GLY A 75 -9.770 14.451 -1.399 1.00 25.24 H new ATOM 1281 N TYR A 76 -8.683 11.523 -0.497 1.00 41.35 N ATOM 1282 CA TYR A 76 -8.737 10.416 0.464 1.00 53.02 C ATOM 1283 C TYR A 76 -7.467 10.376 1.333 1.00 64.25 C ATOM 1284 O TYR A 76 -6.471 11.058 1.049 1.00 5.12 O ATOM 1285 CB TYR A 76 -8.922 9.083 -0.291 1.00 24.04 C ATOM 1286 CG TYR A 76 -10.261 8.910 -1.026 1.00 24.20 C ATOM 1287 CD1 TYR A 76 -11.426 9.561 -0.599 1.00 63.01 C ATOM 1288 CD2 TYR A 76 -10.361 8.052 -2.128 1.00 44.10 C ATOM 1289 CE1 TYR A 76 -12.630 9.363 -1.242 1.00 34.13 C ATOM 1290 CE2 TYR A 76 -11.561 7.855 -2.779 1.00 54.21 C ATOM 1291 CZ TYR A 76 -12.697 8.511 -2.329 1.00 52.01 C ATOM 1292 OH TYR A 76 -13.906 8.305 -2.953 1.00 12.23 O ATOM 0 H TYR A 76 -8.218 11.278 -1.371 1.00 41.35 H new ATOM 0 HA TYR A 76 -9.587 10.571 1.128 1.00 53.02 H new ATOM 0 HB2 TYR A 76 -8.115 8.984 -1.017 1.00 24.04 H new ATOM 0 HB3 TYR A 76 -8.812 8.265 0.422 1.00 24.04 H new ATOM 0 HD1 TYR A 76 -11.380 10.229 0.248 1.00 63.01 H new ATOM 0 HD2 TYR A 76 -9.480 7.533 -2.476 1.00 44.10 H new ATOM 0 HE1 TYR A 76 -13.518 9.872 -0.897 1.00 34.13 H new ATOM 0 HE2 TYR A 76 -11.615 7.195 -3.632 1.00 54.21 H new ATOM 0 HH TYR A 76 -14.015 7.351 -3.148 1.00 12.23 H new ATOM 1302 N LYS A 77 -7.531 9.571 2.401 1.00 22.31 N ATOM 1303 CA LYS A 77 -6.410 9.349 3.323 1.00 62.41 C ATOM 1304 C LYS A 77 -5.448 8.309 2.718 1.00 64.23 C ATOM 1305 O LYS A 77 -5.847 7.169 2.445 1.00 14.51 O ATOM 1306 CB LYS A 77 -6.949 8.885 4.704 1.00 53.15 C ATOM 1307 CG LYS A 77 -5.890 8.491 5.781 1.00 25.23 C ATOM 1308 CD LYS A 77 -5.083 9.675 6.406 1.00 63.50 C ATOM 1309 CE LYS A 77 -3.900 10.171 5.548 1.00 42.03 C ATOM 1310 NZ LYS A 77 -3.057 11.146 6.271 1.00 25.14 N ATOM 0 H LYS A 77 -8.371 9.050 2.652 1.00 22.31 H new ATOM 0 HA LYS A 77 -5.861 10.279 3.472 1.00 62.41 H new ATOM 0 HB2 LYS A 77 -7.567 9.685 5.113 1.00 53.15 H new ATOM 0 HB3 LYS A 77 -7.603 8.028 4.542 1.00 53.15 H new ATOM 0 HG2 LYS A 77 -6.398 7.958 6.585 1.00 25.23 H new ATOM 0 HG3 LYS A 77 -5.184 7.793 5.331 1.00 25.23 H new ATOM 0 HD2 LYS A 77 -5.763 10.509 6.580 1.00 63.50 H new ATOM 0 HD3 LYS A 77 -4.704 9.365 7.380 1.00 63.50 H new ATOM 0 HE2 LYS A 77 -3.290 9.320 5.246 1.00 42.03 H new ATOM 0 HE3 LYS A 77 -4.282 10.629 4.636 1.00 42.03 H new ATOM 0 HZ1 LYS A 77 -2.404 11.602 5.603 1.00 25.14 H new ATOM 0 HZ2 LYS A 77 -3.662 11.868 6.712 1.00 25.14 H new ATOM 0 HZ3 LYS A 77 -2.512 10.654 7.008 1.00 25.14 H new ATOM 1324 N VAL A 78 -4.193 8.727 2.484 1.00 54.11 N ATOM 1325 CA VAL A 78 -3.151 7.869 1.902 1.00 23.05 C ATOM 1326 C VAL A 78 -2.210 7.349 3.011 1.00 14.45 C ATOM 1327 O VAL A 78 -1.685 8.136 3.808 1.00 35.05 O ATOM 1328 CB VAL A 78 -2.301 8.640 0.825 1.00 62.43 C ATOM 1329 CG1 VAL A 78 -1.355 7.679 0.066 1.00 31.30 C ATOM 1330 CG2 VAL A 78 -3.200 9.421 -0.164 1.00 22.10 C ATOM 0 H VAL A 78 -3.873 9.672 2.694 1.00 54.11 H new ATOM 0 HA VAL A 78 -3.651 7.032 1.414 1.00 23.05 H new ATOM 0 HB VAL A 78 -1.690 9.368 1.359 1.00 62.43 H new ATOM 0 HG11 VAL A 78 -0.781 8.240 -0.671 1.00 31.30 H new ATOM 0 HG12 VAL A 78 -0.673 7.206 0.773 1.00 31.30 H new ATOM 0 HG13 VAL A 78 -1.943 6.913 -0.439 1.00 31.30 H new ATOM 0 HG21 VAL A 78 -2.576 9.940 -0.891 1.00 22.10 H new ATOM 0 HG22 VAL A 78 -3.860 8.726 -0.683 1.00 22.10 H new ATOM 0 HG23 VAL A 78 -3.798 10.148 0.385 1.00 22.10 H new ATOM 1340 N PHE A 79 -2.015 6.031 3.027 1.00 60.24 N ATOM 1341 CA PHE A 79 -1.036 5.331 3.873 1.00 71.44 C ATOM 1342 C PHE A 79 -0.164 4.485 2.918 1.00 64.12 C ATOM 1343 O PHE A 79 -0.637 4.064 1.856 1.00 21.03 O ATOM 1344 CB PHE A 79 -1.775 4.442 4.929 1.00 24.30 C ATOM 1345 CG PHE A 79 -0.909 3.887 6.083 1.00 41.05 C ATOM 1346 CD1 PHE A 79 0.020 2.865 5.878 1.00 13.51 C ATOM 1347 CD2 PHE A 79 -1.043 4.381 7.380 1.00 60.22 C ATOM 1348 CE1 PHE A 79 0.779 2.365 6.917 1.00 31.12 C ATOM 1349 CE2 PHE A 79 -0.283 3.882 8.419 1.00 4.12 C ATOM 1350 CZ PHE A 79 0.629 2.875 8.187 1.00 21.24 C ATOM 0 H PHE A 79 -2.549 5.396 2.434 1.00 60.24 H new ATOM 0 HA PHE A 79 -0.413 6.026 4.437 1.00 71.44 H new ATOM 0 HB2 PHE A 79 -2.587 5.027 5.361 1.00 24.30 H new ATOM 0 HB3 PHE A 79 -2.231 3.600 4.408 1.00 24.30 H new ATOM 0 HD1 PHE A 79 0.147 2.457 4.886 1.00 13.51 H new ATOM 0 HD2 PHE A 79 -1.755 5.169 7.576 1.00 60.22 H new ATOM 0 HE1 PHE A 79 1.491 1.574 6.734 1.00 31.12 H new ATOM 0 HE2 PHE A 79 -0.403 4.281 9.415 1.00 4.12 H new ATOM 0 HZ PHE A 79 1.225 2.487 9.000 1.00 21.24 H new ATOM 1360 N LEU A 80 1.096 4.241 3.290 1.00 31.33 N ATOM 1361 CA LEU A 80 2.046 3.462 2.478 1.00 20.30 C ATOM 1362 C LEU A 80 2.874 2.538 3.395 1.00 10.00 C ATOM 1363 O LEU A 80 3.117 2.847 4.558 1.00 43.52 O ATOM 1364 CB LEU A 80 2.961 4.414 1.644 1.00 75.43 C ATOM 1365 CG LEU A 80 3.951 3.732 0.628 1.00 43.32 C ATOM 1366 CD1 LEU A 80 3.204 3.002 -0.501 1.00 41.23 C ATOM 1367 CD2 LEU A 80 4.956 4.739 0.040 1.00 74.32 C ATOM 0 H LEU A 80 1.492 4.579 4.167 1.00 31.33 H new ATOM 0 HA LEU A 80 1.495 2.840 1.773 1.00 20.30 H new ATOM 0 HB2 LEU A 80 2.322 5.100 1.088 1.00 75.43 H new ATOM 0 HB3 LEU A 80 3.547 5.017 2.338 1.00 75.43 H new ATOM 0 HG LEU A 80 4.510 2.990 1.198 1.00 43.32 H new ATOM 0 HD11 LEU A 80 3.925 2.546 -1.179 1.00 41.23 H new ATOM 0 HD12 LEU A 80 2.567 2.227 -0.074 1.00 41.23 H new ATOM 0 HD13 LEU A 80 2.589 3.715 -1.051 1.00 41.23 H new ATOM 0 HD21 LEU A 80 5.620 4.226 -0.656 1.00 74.32 H new ATOM 0 HD22 LEU A 80 4.416 5.526 -0.487 1.00 74.32 H new ATOM 0 HD23 LEU A 80 5.544 5.179 0.846 1.00 74.32 H new ATOM 1379 N LEU A 81 3.249 1.387 2.859 1.00 73.50 N ATOM 1380 CA LEU A 81 4.130 0.405 3.488 1.00 20.14 C ATOM 1381 C LEU A 81 5.045 -0.116 2.385 1.00 53.51 C ATOM 1382 O LEU A 81 4.571 -0.393 1.281 1.00 62.21 O ATOM 1383 CB LEU A 81 3.307 -0.759 4.124 1.00 22.44 C ATOM 1384 CG LEU A 81 4.120 -2.008 4.627 1.00 41.01 C ATOM 1385 CD1 LEU A 81 5.173 -1.623 5.692 1.00 52.20 C ATOM 1386 CD2 LEU A 81 3.179 -3.123 5.147 1.00 45.24 C ATOM 0 H LEU A 81 2.936 1.095 1.933 1.00 73.50 H new ATOM 0 HA LEU A 81 4.705 0.856 4.297 1.00 20.14 H new ATOM 0 HB2 LEU A 81 2.745 -0.357 4.967 1.00 22.44 H new ATOM 0 HB3 LEU A 81 2.578 -1.101 3.389 1.00 22.44 H new ATOM 0 HG LEU A 81 4.661 -2.402 3.767 1.00 41.01 H new ATOM 0 HD11 LEU A 81 5.711 -2.516 6.011 1.00 52.20 H new ATOM 0 HD12 LEU A 81 5.877 -0.908 5.266 1.00 52.20 H new ATOM 0 HD13 LEU A 81 4.674 -1.173 6.551 1.00 52.20 H new ATOM 0 HD21 LEU A 81 3.773 -3.971 5.487 1.00 45.24 H new ATOM 0 HD22 LEU A 81 2.585 -2.740 5.977 1.00 45.24 H new ATOM 0 HD23 LEU A 81 2.516 -3.443 4.344 1.00 45.24 H new ATOM 1398 N LEU A 82 6.349 -0.219 2.665 1.00 62.01 N ATOM 1399 CA LEU A 82 7.331 -0.708 1.684 1.00 53.04 C ATOM 1400 C LEU A 82 8.348 -1.656 2.344 1.00 14.02 C ATOM 1401 O LEU A 82 8.741 -1.462 3.507 1.00 12.42 O ATOM 1402 CB LEU A 82 7.987 0.504 0.923 1.00 54.22 C ATOM 1403 CG LEU A 82 8.386 1.773 1.770 1.00 41.41 C ATOM 1404 CD1 LEU A 82 9.697 1.586 2.545 1.00 14.01 C ATOM 1405 CD2 LEU A 82 8.457 3.045 0.895 1.00 34.53 C ATOM 0 H LEU A 82 6.753 0.031 3.568 1.00 62.01 H new ATOM 0 HA LEU A 82 6.824 -1.308 0.928 1.00 53.04 H new ATOM 0 HB2 LEU A 82 8.884 0.140 0.422 1.00 54.22 H new ATOM 0 HB3 LEU A 82 7.295 0.825 0.144 1.00 54.22 H new ATOM 0 HG LEU A 82 7.591 1.900 2.505 1.00 41.41 H new ATOM 0 HD11 LEU A 82 9.919 2.492 3.108 1.00 14.01 H new ATOM 0 HD12 LEU A 82 9.596 0.746 3.233 1.00 14.01 H new ATOM 0 HD13 LEU A 82 10.508 1.386 1.845 1.00 14.01 H new ATOM 0 HD21 LEU A 82 8.735 3.898 1.515 1.00 34.53 H new ATOM 0 HD22 LEU A 82 9.203 2.907 0.112 1.00 34.53 H new ATOM 0 HD23 LEU A 82 7.484 3.229 0.440 1.00 34.53 H new ATOM 1417 N GLN A 83 8.729 -2.708 1.593 1.00 73.24 N ATOM 1418 CA GLN A 83 9.721 -3.699 2.032 1.00 72.44 C ATOM 1419 C GLN A 83 10.627 -4.075 0.853 1.00 24.34 C ATOM 1420 O GLN A 83 10.192 -4.070 -0.304 1.00 34.24 O ATOM 1421 CB GLN A 83 9.037 -4.960 2.666 1.00 3.25 C ATOM 1422 CG GLN A 83 8.405 -5.986 1.682 1.00 22.32 C ATOM 1423 CD GLN A 83 9.374 -7.052 1.112 1.00 33.21 C ATOM 1424 OE1 GLN A 83 9.217 -7.508 -0.023 1.00 52.11 O ATOM 1425 NE2 GLN A 83 10.378 -7.454 1.891 1.00 74.12 N ATOM 0 H GLN A 83 8.354 -2.891 0.662 1.00 73.24 H new ATOM 0 HA GLN A 83 10.336 -3.256 2.816 1.00 72.44 H new ATOM 0 HB2 GLN A 83 9.780 -5.482 3.270 1.00 3.25 H new ATOM 0 HB3 GLN A 83 8.257 -4.617 3.346 1.00 3.25 H new ATOM 0 HG2 GLN A 83 7.590 -6.498 2.193 1.00 22.32 H new ATOM 0 HG3 GLN A 83 7.964 -5.439 0.849 1.00 22.32 H new ATOM 0 HE21 GLN A 83 10.487 -7.062 2.826 1.00 74.12 H new ATOM 0 HE22 GLN A 83 11.038 -8.154 1.552 1.00 74.12 H new ATOM 1434 N ASP A 84 11.889 -4.369 1.174 1.00 50.54 N ATOM 1435 CA ASP A 84 12.894 -4.888 0.230 1.00 14.52 C ATOM 1436 C ASP A 84 13.832 -5.845 0.981 1.00 41.31 C ATOM 1437 O ASP A 84 13.731 -6.015 2.210 1.00 45.05 O ATOM 1438 CB ASP A 84 13.750 -3.752 -0.426 1.00 70.31 C ATOM 1439 CG ASP A 84 13.031 -2.937 -1.511 1.00 63.35 C ATOM 1440 OD1 ASP A 84 12.563 -3.544 -2.503 1.00 11.32 O ATOM 1441 OD2 ASP A 84 12.955 -1.692 -1.412 1.00 60.32 O ATOM 0 H ASP A 84 12.254 -4.252 2.119 1.00 50.54 H new ATOM 0 HA ASP A 84 12.359 -5.400 -0.570 1.00 14.52 H new ATOM 0 HB2 ASP A 84 14.083 -3.071 0.357 1.00 70.31 H new ATOM 0 HB3 ASP A 84 14.644 -4.198 -0.861 1.00 70.31 H new ATOM 1446 N GLN A 85 14.737 -6.471 0.219 1.00 23.53 N ATOM 1447 CA GLN A 85 15.869 -7.233 0.755 1.00 75.21 C ATOM 1448 C GLN A 85 16.972 -6.242 1.202 1.00 4.14 C ATOM 1449 O GLN A 85 17.642 -6.451 2.217 1.00 64.05 O ATOM 1450 CB GLN A 85 16.406 -8.197 -0.340 1.00 30.12 C ATOM 1451 CG GLN A 85 15.333 -9.103 -0.987 1.00 42.12 C ATOM 1452 CD GLN A 85 15.841 -9.840 -2.232 1.00 72.12 C ATOM 1453 OE1 GLN A 85 16.346 -10.958 -2.146 1.00 53.31 O ATOM 1454 NE2 GLN A 85 15.736 -9.208 -3.394 1.00 33.31 N ATOM 0 H GLN A 85 14.702 -6.462 -0.800 1.00 23.53 H new ATOM 0 HA GLN A 85 15.555 -7.826 1.614 1.00 75.21 H new ATOM 0 HB2 GLN A 85 16.883 -7.607 -1.122 1.00 30.12 H new ATOM 0 HB3 GLN A 85 17.179 -8.829 0.099 1.00 30.12 H new ATOM 0 HG2 GLN A 85 14.992 -9.833 -0.253 1.00 42.12 H new ATOM 0 HG3 GLN A 85 14.469 -8.496 -1.258 1.00 42.12 H new ATOM 0 HE21 GLN A 85 15.312 -8.281 -3.434 1.00 33.31 H new ATOM 0 HE22 GLN A 85 16.079 -9.649 -4.247 1.00 33.31 H new ATOM 1463 N ASP A 86 17.131 -5.156 0.412 1.00 4.10 N ATOM 1464 CA ASP A 86 18.102 -4.073 0.674 1.00 70.45 C ATOM 1465 C ASP A 86 17.399 -2.885 1.361 1.00 41.51 C ATOM 1466 O ASP A 86 16.300 -2.492 0.958 1.00 23.12 O ATOM 1467 CB ASP A 86 18.754 -3.616 -0.656 1.00 44.33 C ATOM 1468 CG ASP A 86 19.831 -2.537 -0.450 1.00 31.23 C ATOM 1469 OD1 ASP A 86 20.963 -2.884 -0.058 1.00 41.33 O ATOM 1470 OD2 ASP A 86 19.547 -1.341 -0.646 1.00 72.01 O ATOM 0 H ASP A 86 16.582 -5.007 -0.434 1.00 4.10 H new ATOM 0 HA ASP A 86 18.881 -4.447 1.338 1.00 70.45 H new ATOM 0 HB2 ASP A 86 19.200 -4.478 -1.152 1.00 44.33 H new ATOM 0 HB3 ASP A 86 17.981 -3.230 -1.321 1.00 44.33 H new ATOM 1475 N GLU A 87 18.062 -2.298 2.371 1.00 34.45 N ATOM 1476 CA GLU A 87 17.479 -1.226 3.207 1.00 5.32 C ATOM 1477 C GLU A 87 17.753 0.170 2.587 1.00 13.33 C ATOM 1478 O GLU A 87 16.973 1.101 2.787 1.00 63.24 O ATOM 1479 CB GLU A 87 18.042 -1.342 4.661 1.00 45.21 C ATOM 1480 CG GLU A 87 17.163 -0.740 5.792 1.00 1.42 C ATOM 1481 CD GLU A 87 17.096 0.799 5.806 1.00 52.23 C ATOM 1482 OE1 GLU A 87 18.119 1.442 6.115 1.00 1.02 O ATOM 1483 OE2 GLU A 87 16.027 1.369 5.519 1.00 11.02 O ATOM 0 H GLU A 87 19.015 -2.550 2.634 1.00 34.45 H new ATOM 0 HA GLU A 87 16.396 -1.343 3.247 1.00 5.32 H new ATOM 0 HB2 GLU A 87 18.206 -2.397 4.881 1.00 45.21 H new ATOM 0 HB3 GLU A 87 19.017 -0.855 4.690 1.00 45.21 H new ATOM 0 HG2 GLU A 87 16.151 -1.133 5.695 1.00 1.42 H new ATOM 0 HG3 GLU A 87 17.547 -1.082 6.753 1.00 1.42 H new ATOM 1490 N ASN A 88 18.855 0.312 1.820 1.00 60.12 N ATOM 1491 CA ASN A 88 19.232 1.617 1.206 1.00 15.00 C ATOM 1492 C ASN A 88 18.141 2.084 0.214 1.00 21.10 C ATOM 1493 O ASN A 88 17.852 3.283 0.120 1.00 21.42 O ATOM 1494 CB ASN A 88 20.604 1.547 0.486 1.00 33.02 C ATOM 1495 CG ASN A 88 21.730 1.026 1.374 1.00 52.23 C ATOM 1496 OD1 ASN A 88 22.398 1.786 2.069 1.00 33.25 O ATOM 1497 ND2 ASN A 88 21.959 -0.280 1.345 1.00 73.11 N ATOM 0 H ASN A 88 19.499 -0.450 1.608 1.00 60.12 H new ATOM 0 HA ASN A 88 19.318 2.340 2.017 1.00 15.00 H new ATOM 0 HB2 ASN A 88 20.514 0.903 -0.389 1.00 33.02 H new ATOM 0 HB3 ASN A 88 20.867 2.541 0.124 1.00 33.02 H new ATOM 0 HD21 ASN A 88 22.708 -0.679 1.911 1.00 73.11 H new ATOM 0 HD22 ASN A 88 21.386 -0.885 0.757 1.00 73.11 H new ATOM 1504 N GLU A 89 17.528 1.117 -0.502 1.00 21.44 N ATOM 1505 CA GLU A 89 16.388 1.381 -1.407 1.00 63.12 C ATOM 1506 C GLU A 89 15.174 1.884 -0.607 1.00 3.23 C ATOM 1507 O GLU A 89 14.488 2.829 -1.024 1.00 44.02 O ATOM 1508 CB GLU A 89 15.995 0.097 -2.201 1.00 55.45 C ATOM 1509 CG GLU A 89 17.138 -0.552 -3.008 1.00 73.20 C ATOM 1510 CD GLU A 89 17.857 0.432 -3.949 1.00 24.30 C ATOM 1511 OE1 GLU A 89 17.249 0.868 -4.951 1.00 63.24 O ATOM 1512 OE2 GLU A 89 19.026 0.792 -3.687 1.00 2.44 O ATOM 0 H GLU A 89 17.807 0.137 -0.470 1.00 21.44 H new ATOM 0 HA GLU A 89 16.696 2.149 -2.116 1.00 63.12 H new ATOM 0 HB2 GLU A 89 15.604 -0.639 -1.499 1.00 55.45 H new ATOM 0 HB3 GLU A 89 15.184 0.347 -2.886 1.00 55.45 H new ATOM 0 HG2 GLU A 89 17.865 -0.979 -2.316 1.00 73.20 H new ATOM 0 HG3 GLU A 89 16.735 -1.377 -3.596 1.00 73.20 H new ATOM 1519 N LEU A 90 14.945 1.239 0.549 1.00 43.12 N ATOM 1520 CA LEU A 90 13.803 1.509 1.433 1.00 1.44 C ATOM 1521 C LEU A 90 13.803 2.943 1.960 1.00 4.03 C ATOM 1522 O LEU A 90 12.821 3.665 1.772 1.00 11.21 O ATOM 1523 CB LEU A 90 13.814 0.508 2.619 1.00 41.12 C ATOM 1524 CG LEU A 90 13.464 -0.952 2.247 1.00 12.32 C ATOM 1525 CD1 LEU A 90 13.620 -1.913 3.445 1.00 43.25 C ATOM 1526 CD2 LEU A 90 12.044 -1.012 1.666 1.00 32.02 C ATOM 0 H LEU A 90 15.559 0.504 0.899 1.00 43.12 H new ATOM 0 HA LEU A 90 12.894 1.382 0.845 1.00 1.44 H new ATOM 0 HB2 LEU A 90 14.803 0.523 3.078 1.00 41.12 H new ATOM 0 HB3 LEU A 90 13.107 0.854 3.373 1.00 41.12 H new ATOM 0 HG LEU A 90 14.173 -1.287 1.490 1.00 12.32 H new ATOM 0 HD11 LEU A 90 13.363 -2.926 3.135 1.00 43.25 H new ATOM 0 HD12 LEU A 90 14.652 -1.892 3.797 1.00 43.25 H new ATOM 0 HD13 LEU A 90 12.956 -1.601 4.251 1.00 43.25 H new ATOM 0 HD21 LEU A 90 11.801 -2.042 1.405 1.00 32.02 H new ATOM 0 HD22 LEU A 90 11.332 -0.648 2.407 1.00 32.02 H new ATOM 0 HD23 LEU A 90 11.990 -0.389 0.773 1.00 32.02 H new ATOM 1538 N GLU A 91 14.911 3.345 2.600 1.00 75.55 N ATOM 1539 CA GLU A 91 15.003 4.635 3.298 1.00 44.54 C ATOM 1540 C GLU A 91 14.971 5.821 2.311 1.00 31.33 C ATOM 1541 O GLU A 91 14.394 6.870 2.628 1.00 51.34 O ATOM 1542 CB GLU A 91 16.260 4.668 4.232 1.00 31.35 C ATOM 1543 CG GLU A 91 17.663 4.593 3.547 1.00 72.14 C ATOM 1544 CD GLU A 91 18.198 5.940 2.997 1.00 4.44 C ATOM 1545 OE1 GLU A 91 18.029 6.982 3.672 1.00 71.41 O ATOM 1546 OE2 GLU A 91 18.768 5.967 1.887 1.00 53.52 O ATOM 0 H GLU A 91 15.764 2.788 2.648 1.00 75.55 H new ATOM 0 HA GLU A 91 14.123 4.743 3.932 1.00 44.54 H new ATOM 0 HB2 GLU A 91 16.220 5.585 4.820 1.00 31.35 H new ATOM 0 HB3 GLU A 91 16.182 3.837 4.933 1.00 31.35 H new ATOM 0 HG2 GLU A 91 18.381 4.201 4.267 1.00 72.14 H new ATOM 0 HG3 GLU A 91 17.612 3.878 2.726 1.00 72.14 H new ATOM 1553 N GLU A 92 15.571 5.645 1.106 1.00 52.51 N ATOM 1554 CA GLU A 92 15.674 6.737 0.118 1.00 73.13 C ATOM 1555 C GLU A 92 14.311 6.990 -0.545 1.00 21.44 C ATOM 1556 O GLU A 92 13.960 8.139 -0.800 1.00 21.01 O ATOM 1557 CB GLU A 92 16.822 6.481 -0.925 1.00 13.43 C ATOM 1558 CG GLU A 92 16.545 5.479 -2.092 1.00 1.30 C ATOM 1559 CD GLU A 92 15.787 6.090 -3.300 1.00 5.13 C ATOM 1560 OE1 GLU A 92 16.164 7.192 -3.754 1.00 34.43 O ATOM 1561 OE2 GLU A 92 14.838 5.456 -3.813 1.00 74.40 O ATOM 0 H GLU A 92 15.986 4.764 0.802 1.00 52.51 H new ATOM 0 HA GLU A 92 15.954 7.649 0.644 1.00 73.13 H new ATOM 0 HB2 GLU A 92 17.092 7.440 -1.366 1.00 13.43 H new ATOM 0 HB3 GLU A 92 17.695 6.124 -0.379 1.00 13.43 H new ATOM 0 HG2 GLU A 92 17.496 5.077 -2.442 1.00 1.30 H new ATOM 0 HG3 GLU A 92 15.968 4.640 -1.704 1.00 1.30 H new ATOM 1568 N PHE A 93 13.549 5.907 -0.820 1.00 65.45 N ATOM 1569 CA PHE A 93 12.185 6.005 -1.387 1.00 61.44 C ATOM 1570 C PHE A 93 11.207 6.539 -0.327 1.00 54.12 C ATOM 1571 O PHE A 93 10.364 7.386 -0.629 1.00 74.42 O ATOM 1572 CB PHE A 93 11.713 4.624 -1.940 1.00 22.31 C ATOM 1573 CG PHE A 93 10.314 4.596 -2.606 1.00 14.33 C ATOM 1574 CD1 PHE A 93 9.857 5.659 -3.394 1.00 32.14 C ATOM 1575 CD2 PHE A 93 9.462 3.496 -2.447 1.00 13.10 C ATOM 1576 CE1 PHE A 93 8.604 5.628 -3.982 1.00 35.24 C ATOM 1577 CE2 PHE A 93 8.207 3.468 -3.036 1.00 10.22 C ATOM 1578 CZ PHE A 93 7.781 4.533 -3.807 1.00 53.42 C ATOM 0 H PHE A 93 13.859 4.949 -0.657 1.00 65.45 H new ATOM 0 HA PHE A 93 12.205 6.707 -2.221 1.00 61.44 H new ATOM 0 HB2 PHE A 93 12.446 4.278 -2.668 1.00 22.31 H new ATOM 0 HB3 PHE A 93 11.716 3.907 -1.119 1.00 22.31 H new ATOM 0 HD1 PHE A 93 10.493 6.518 -3.546 1.00 32.14 H new ATOM 0 HD2 PHE A 93 9.788 2.654 -1.855 1.00 13.10 H new ATOM 0 HE1 PHE A 93 8.269 6.463 -4.580 1.00 35.24 H new ATOM 0 HE2 PHE A 93 7.562 2.614 -2.892 1.00 10.22 H new ATOM 0 HZ PHE A 93 6.806 4.509 -4.272 1.00 53.42 H new ATOM 1588 N LYS A 94 11.355 6.059 0.921 1.00 51.25 N ATOM 1589 CA LYS A 94 10.464 6.425 2.038 1.00 15.34 C ATOM 1590 C LYS A 94 10.544 7.931 2.347 1.00 34.43 C ATOM 1591 O LYS A 94 9.520 8.581 2.568 1.00 74.24 O ATOM 1592 CB LYS A 94 10.820 5.622 3.319 1.00 10.11 C ATOM 1593 CG LYS A 94 9.747 5.710 4.427 1.00 40.03 C ATOM 1594 CD LYS A 94 10.212 5.210 5.804 1.00 45.41 C ATOM 1595 CE LYS A 94 11.213 6.158 6.463 1.00 10.12 C ATOM 1596 NZ LYS A 94 10.617 7.486 6.738 1.00 2.33 N ATOM 0 H LYS A 94 12.094 5.407 1.184 1.00 51.25 H new ATOM 0 HA LYS A 94 9.447 6.180 1.730 1.00 15.34 H new ATOM 0 HB2 LYS A 94 10.968 4.576 3.052 1.00 10.11 H new ATOM 0 HB3 LYS A 94 11.768 5.987 3.714 1.00 10.11 H new ATOM 0 HG2 LYS A 94 9.424 6.747 4.521 1.00 40.03 H new ATOM 0 HG3 LYS A 94 8.876 5.131 4.119 1.00 40.03 H new ATOM 0 HD2 LYS A 94 9.346 5.091 6.455 1.00 45.41 H new ATOM 0 HD3 LYS A 94 10.666 4.225 5.695 1.00 45.41 H new ATOM 0 HE2 LYS A 94 11.569 5.720 7.395 1.00 10.12 H new ATOM 0 HE3 LYS A 94 12.081 6.277 5.815 1.00 10.12 H new ATOM 0 HZ1 LYS A 94 11.074 8.202 6.138 1.00 2.33 H new ATOM 0 HZ2 LYS A 94 9.598 7.459 6.531 1.00 2.33 H new ATOM 0 HZ3 LYS A 94 10.760 7.730 7.739 1.00 2.33 H new ATOM 1610 N ARG A 95 11.785 8.468 2.351 1.00 31.13 N ATOM 1611 CA ARG A 95 12.048 9.887 2.679 1.00 31.40 C ATOM 1612 C ARG A 95 11.491 10.837 1.594 1.00 24.23 C ATOM 1613 O ARG A 95 11.255 12.022 1.867 1.00 1.34 O ATOM 1614 CB ARG A 95 13.566 10.132 2.937 1.00 34.21 C ATOM 1615 CG ARG A 95 14.467 10.137 1.691 1.00 74.33 C ATOM 1616 CD ARG A 95 15.959 10.237 2.054 1.00 43.15 C ATOM 1617 NE ARG A 95 16.810 10.514 0.887 1.00 4.23 N ATOM 1618 CZ ARG A 95 17.967 9.886 0.590 1.00 61.53 C ATOM 1619 NH1 ARG A 95 18.447 8.919 1.368 1.00 54.13 N ATOM 1620 NH2 ARG A 95 18.648 10.264 -0.478 1.00 11.14 N ATOM 0 H ARG A 95 12.626 7.935 2.129 1.00 31.13 H new ATOM 0 HA ARG A 95 11.517 10.115 3.603 1.00 31.40 H new ATOM 0 HB2 ARG A 95 13.678 11.089 3.447 1.00 34.21 H new ATOM 0 HB3 ARG A 95 13.927 9.363 3.620 1.00 34.21 H new ATOM 0 HG2 ARG A 95 14.295 9.227 1.116 1.00 74.33 H new ATOM 0 HG3 ARG A 95 14.194 10.975 1.050 1.00 74.33 H new ATOM 0 HD2 ARG A 95 16.097 11.025 2.794 1.00 43.15 H new ATOM 0 HD3 ARG A 95 16.279 9.304 2.519 1.00 43.15 H new ATOM 0 HE ARG A 95 16.499 11.244 0.246 1.00 4.23 H new ATOM 0 HH11 ARG A 95 17.938 8.640 2.207 1.00 54.13 H new ATOM 0 HH12 ARG A 95 19.323 8.457 1.125 1.00 54.13 H new ATOM 0 HH21 ARG A 95 18.297 11.021 -1.065 1.00 11.14 H new ATOM 0 HH22 ARG A 95 19.524 9.799 -0.715 1.00 11.14 H new ATOM 1634 N LYS A 96 11.281 10.309 0.364 1.00 1.04 N ATOM 1635 CA LYS A 96 10.568 11.043 -0.705 1.00 32.00 C ATOM 1636 C LYS A 96 9.107 11.244 -0.282 1.00 13.41 C ATOM 1637 O LYS A 96 8.571 12.343 -0.343 1.00 25.20 O ATOM 1638 CB LYS A 96 10.605 10.260 -2.047 1.00 54.42 C ATOM 1639 CG LYS A 96 12.005 9.826 -2.519 1.00 51.55 C ATOM 1640 CD LYS A 96 12.936 10.998 -2.894 1.00 15.33 C ATOM 1641 CE LYS A 96 14.377 10.530 -3.202 1.00 33.30 C ATOM 1642 NZ LYS A 96 14.433 9.501 -4.280 1.00 43.21 N ATOM 0 H LYS A 96 11.596 9.378 0.090 1.00 1.04 H new ATOM 0 HA LYS A 96 11.062 12.003 -0.854 1.00 32.00 H new ATOM 0 HB2 LYS A 96 9.982 9.371 -1.947 1.00 54.42 H new ATOM 0 HB3 LYS A 96 10.154 10.880 -2.822 1.00 54.42 H new ATOM 0 HG2 LYS A 96 12.477 9.240 -1.730 1.00 51.55 H new ATOM 0 HG3 LYS A 96 11.898 9.170 -3.383 1.00 51.55 H new ATOM 0 HD2 LYS A 96 12.531 11.516 -3.763 1.00 15.33 H new ATOM 0 HD3 LYS A 96 12.958 11.718 -2.076 1.00 15.33 H new ATOM 0 HE2 LYS A 96 14.978 11.390 -3.496 1.00 33.30 H new ATOM 0 HE3 LYS A 96 14.824 10.124 -2.295 1.00 33.30 H new ATOM 0 HZ1 LYS A 96 14.796 8.608 -3.889 1.00 43.21 H new ATOM 0 HZ2 LYS A 96 13.479 9.348 -4.664 1.00 43.21 H new ATOM 0 HZ3 LYS A 96 15.064 9.828 -5.040 1.00 43.21 H new ATOM 1656 N ILE A 97 8.514 10.143 0.197 1.00 13.32 N ATOM 1657 CA ILE A 97 7.088 10.056 0.563 1.00 14.44 C ATOM 1658 C ILE A 97 6.783 10.917 1.818 1.00 55.52 C ATOM 1659 O ILE A 97 5.677 11.471 1.947 1.00 14.14 O ATOM 1660 CB ILE A 97 6.675 8.551 0.789 1.00 41.33 C ATOM 1661 CG1 ILE A 97 7.188 7.640 -0.376 1.00 14.22 C ATOM 1662 CG2 ILE A 97 5.150 8.388 0.966 1.00 64.21 C ATOM 1663 CD1 ILE A 97 6.732 8.046 -1.764 1.00 72.31 C ATOM 0 H ILE A 97 9.019 9.269 0.345 1.00 13.32 H new ATOM 0 HA ILE A 97 6.494 10.454 -0.259 1.00 14.44 H new ATOM 0 HB ILE A 97 7.152 8.231 1.715 1.00 41.33 H new ATOM 0 HG12 ILE A 97 8.278 7.633 -0.357 1.00 14.22 H new ATOM 0 HG13 ILE A 97 6.859 6.618 -0.188 1.00 14.22 H new ATOM 0 HG21 ILE A 97 4.912 7.335 1.119 1.00 64.21 H new ATOM 0 HG22 ILE A 97 4.820 8.964 1.831 1.00 64.21 H new ATOM 0 HG23 ILE A 97 4.639 8.750 0.073 1.00 64.21 H new ATOM 0 HD11 ILE A 97 7.141 7.352 -2.499 1.00 72.31 H new ATOM 0 HD12 ILE A 97 5.643 8.024 -1.810 1.00 72.31 H new ATOM 0 HD13 ILE A 97 7.084 9.054 -1.982 1.00 72.31 H new ATOM 1675 N GLU A 98 7.782 11.018 2.735 1.00 1.12 N ATOM 1676 CA GLU A 98 7.765 11.979 3.868 1.00 51.10 C ATOM 1677 C GLU A 98 7.529 13.417 3.356 1.00 64.12 C ATOM 1678 O GLU A 98 6.664 14.141 3.866 1.00 42.42 O ATOM 1679 CB GLU A 98 9.109 11.938 4.654 1.00 1.23 C ATOM 1680 CG GLU A 98 9.490 10.578 5.283 1.00 70.21 C ATOM 1681 CD GLU A 98 8.525 10.075 6.369 1.00 23.11 C ATOM 1682 OE1 GLU A 98 8.073 10.876 7.210 1.00 33.44 O ATOM 1683 OE2 GLU A 98 8.237 8.864 6.411 1.00 0.15 O ATOM 0 H GLU A 98 8.619 10.436 2.709 1.00 1.12 H new ATOM 0 HA GLU A 98 6.951 11.688 4.533 1.00 51.10 H new ATOM 0 HB2 GLU A 98 9.910 12.240 3.979 1.00 1.23 H new ATOM 0 HB3 GLU A 98 9.064 12.683 5.449 1.00 1.23 H new ATOM 0 HG2 GLU A 98 9.545 9.831 4.492 1.00 70.21 H new ATOM 0 HG3 GLU A 98 10.488 10.660 5.714 1.00 70.21 H new ATOM 1690 N SER A 99 8.310 13.797 2.326 1.00 12.30 N ATOM 1691 CA SER A 99 8.246 15.129 1.692 1.00 72.35 C ATOM 1692 C SER A 99 6.906 15.334 0.951 1.00 71.02 C ATOM 1693 O SER A 99 6.307 16.408 1.026 1.00 54.23 O ATOM 1694 CB SER A 99 9.437 15.295 0.712 1.00 25.42 C ATOM 1695 OG SER A 99 10.681 15.080 1.365 1.00 1.01 O ATOM 0 H SER A 99 9.009 13.183 1.907 1.00 12.30 H new ATOM 0 HA SER A 99 8.310 15.887 2.473 1.00 72.35 H new ATOM 0 HB2 SER A 99 9.331 14.591 -0.113 1.00 25.42 H new ATOM 0 HB3 SER A 99 9.419 16.296 0.281 1.00 25.42 H new ATOM 0 HG SER A 99 10.817 14.119 1.502 1.00 1.01 H new ATOM 1701 N GLN A 100 6.438 14.267 0.271 1.00 30.50 N ATOM 1702 CA GLN A 100 5.204 14.284 -0.550 1.00 12.44 C ATOM 1703 C GLN A 100 3.937 14.396 0.323 1.00 32.34 C ATOM 1704 O GLN A 100 2.877 14.806 -0.167 1.00 63.55 O ATOM 1705 CB GLN A 100 5.142 13.014 -1.439 1.00 3.35 C ATOM 1706 CG GLN A 100 6.273 12.914 -2.480 1.00 51.15 C ATOM 1707 CD GLN A 100 6.340 11.562 -3.196 1.00 23.34 C ATOM 1708 OE1 GLN A 100 5.324 10.898 -3.412 1.00 1.33 O ATOM 1709 NE2 GLN A 100 7.548 11.144 -3.558 1.00 13.33 N ATOM 0 H GLN A 100 6.907 13.361 0.275 1.00 30.50 H new ATOM 0 HA GLN A 100 5.238 15.167 -1.188 1.00 12.44 H new ATOM 0 HB2 GLN A 100 5.176 12.133 -0.797 1.00 3.35 H new ATOM 0 HB3 GLN A 100 4.184 12.994 -1.958 1.00 3.35 H new ATOM 0 HG2 GLN A 100 6.141 13.701 -3.222 1.00 51.15 H new ATOM 0 HG3 GLN A 100 7.226 13.100 -1.985 1.00 51.15 H new ATOM 0 HE21 GLN A 100 8.367 11.720 -3.363 1.00 13.33 H new ATOM 0 HE22 GLN A 100 7.657 10.247 -4.031 1.00 13.33 H new ATOM 1718 N GLY A 101 4.059 14.036 1.610 1.00 23.34 N ATOM 1719 CA GLY A 101 2.985 14.243 2.585 1.00 55.34 C ATOM 1720 C GLY A 101 2.089 13.029 2.781 1.00 51.34 C ATOM 1721 O GLY A 101 0.894 13.176 3.064 1.00 61.24 O ATOM 0 H GLY A 101 4.895 13.599 1.998 1.00 23.34 H new ATOM 0 HA2 GLY A 101 3.426 14.516 3.544 1.00 55.34 H new ATOM 0 HA3 GLY A 101 2.373 15.086 2.264 1.00 55.34 H new ATOM 1725 N TYR A 102 2.666 11.820 2.644 1.00 14.20 N ATOM 1726 CA TYR A 102 1.938 10.542 2.838 1.00 54.05 C ATOM 1727 C TYR A 102 2.626 9.731 3.946 1.00 34.34 C ATOM 1728 O TYR A 102 3.853 9.559 3.918 1.00 71.40 O ATOM 1729 CB TYR A 102 1.883 9.722 1.517 1.00 12.10 C ATOM 1730 CG TYR A 102 1.480 10.545 0.284 1.00 2.34 C ATOM 1731 CD1 TYR A 102 0.258 11.217 0.240 1.00 51.13 C ATOM 1732 CD2 TYR A 102 2.324 10.663 -0.829 1.00 33.31 C ATOM 1733 CE1 TYR A 102 -0.106 11.973 -0.849 1.00 0.33 C ATOM 1734 CE2 TYR A 102 1.957 11.418 -1.924 1.00 73.31 C ATOM 1735 CZ TYR A 102 0.741 12.069 -1.929 1.00 54.02 C ATOM 1736 OH TYR A 102 0.376 12.829 -3.017 1.00 33.33 O ATOM 0 H TYR A 102 3.648 11.697 2.396 1.00 14.20 H new ATOM 0 HA TYR A 102 0.912 10.762 3.132 1.00 54.05 H new ATOM 0 HB2 TYR A 102 2.861 9.275 1.338 1.00 12.10 H new ATOM 0 HB3 TYR A 102 1.176 8.902 1.640 1.00 12.10 H new ATOM 0 HD1 TYR A 102 -0.417 11.142 1.080 1.00 51.13 H new ATOM 0 HD2 TYR A 102 3.277 10.155 -0.829 1.00 33.31 H new ATOM 0 HE1 TYR A 102 -1.054 12.490 -0.857 1.00 0.33 H new ATOM 0 HE2 TYR A 102 2.619 11.499 -2.773 1.00 73.31 H new ATOM 0 HH TYR A 102 1.108 13.437 -3.252 1.00 33.33 H new ATOM 1746 N GLU A 103 1.830 9.238 4.916 1.00 1.41 N ATOM 1747 CA GLU A 103 2.350 8.477 6.067 1.00 75.33 C ATOM 1748 C GLU A 103 2.770 7.068 5.606 1.00 43.01 C ATOM 1749 O GLU A 103 1.977 6.334 5.018 1.00 42.43 O ATOM 1750 CB GLU A 103 1.311 8.430 7.226 1.00 75.40 C ATOM 1751 CG GLU A 103 -0.086 7.900 6.855 1.00 22.30 C ATOM 1752 CD GLU A 103 -1.095 8.004 8.019 1.00 25.12 C ATOM 1753 OE1 GLU A 103 -1.010 7.201 8.973 1.00 24.52 O ATOM 1754 OE2 GLU A 103 -1.946 8.923 8.011 1.00 0.23 O ATOM 0 H GLU A 103 0.817 9.355 4.923 1.00 1.41 H new ATOM 0 HA GLU A 103 3.231 8.982 6.463 1.00 75.33 H new ATOM 0 HB2 GLU A 103 1.714 7.807 8.025 1.00 75.40 H new ATOM 0 HB3 GLU A 103 1.201 9.436 7.631 1.00 75.40 H new ATOM 0 HG2 GLU A 103 -0.466 8.459 6.000 1.00 22.30 H new ATOM 0 HG3 GLU A 103 -0.003 6.859 6.544 1.00 22.30 H new ATOM 1761 N VAL A 104 4.039 6.724 5.851 1.00 34.51 N ATOM 1762 CA VAL A 104 4.675 5.513 5.308 1.00 3.54 C ATOM 1763 C VAL A 104 5.501 4.780 6.387 1.00 52.03 C ATOM 1764 O VAL A 104 6.216 5.404 7.180 1.00 20.41 O ATOM 1765 CB VAL A 104 5.570 5.863 4.052 1.00 21.54 C ATOM 1766 CG1 VAL A 104 6.511 7.056 4.328 1.00 31.41 C ATOM 1767 CG2 VAL A 104 6.351 4.623 3.538 1.00 64.52 C ATOM 0 H VAL A 104 4.661 7.281 6.436 1.00 34.51 H new ATOM 0 HA VAL A 104 3.883 4.838 4.984 1.00 3.54 H new ATOM 0 HB VAL A 104 4.892 6.170 3.255 1.00 21.54 H new ATOM 0 HG11 VAL A 104 7.107 7.262 3.439 1.00 31.41 H new ATOM 0 HG12 VAL A 104 5.919 7.936 4.580 1.00 31.41 H new ATOM 0 HG13 VAL A 104 7.172 6.813 5.160 1.00 31.41 H new ATOM 0 HG21 VAL A 104 6.954 4.905 2.675 1.00 64.52 H new ATOM 0 HG22 VAL A 104 7.002 4.249 4.329 1.00 64.52 H new ATOM 0 HG23 VAL A 104 5.646 3.843 3.249 1.00 64.52 H new ATOM 1777 N ARG A 105 5.366 3.441 6.409 1.00 23.23 N ATOM 1778 CA ARG A 105 6.158 2.545 7.257 1.00 32.44 C ATOM 1779 C ARG A 105 7.142 1.738 6.399 1.00 3.11 C ATOM 1780 O ARG A 105 6.914 1.507 5.197 1.00 53.14 O ATOM 1781 CB ARG A 105 5.239 1.601 8.078 1.00 11.31 C ATOM 1782 CG ARG A 105 4.382 2.301 9.164 1.00 74.01 C ATOM 1783 CD ARG A 105 5.230 3.191 10.098 1.00 24.50 C ATOM 1784 NE ARG A 105 6.408 2.474 10.649 1.00 70.32 N ATOM 1785 CZ ARG A 105 7.647 2.995 10.773 1.00 3.25 C ATOM 1786 NH1 ARG A 105 7.905 4.232 10.383 1.00 52.21 N ATOM 1787 NH2 ARG A 105 8.633 2.261 11.259 1.00 61.41 N ATOM 0 H ARG A 105 4.690 2.948 5.826 1.00 23.23 H new ATOM 0 HA ARG A 105 6.727 3.151 7.962 1.00 32.44 H new ATOM 0 HB2 ARG A 105 4.572 1.080 7.391 1.00 11.31 H new ATOM 0 HB3 ARG A 105 5.858 0.843 8.558 1.00 11.31 H new ATOM 0 HG2 ARG A 105 3.616 2.910 8.683 1.00 74.01 H new ATOM 0 HG3 ARG A 105 3.864 1.547 9.756 1.00 74.01 H new ATOM 0 HD2 ARG A 105 5.567 4.070 9.549 1.00 24.50 H new ATOM 0 HD3 ARG A 105 4.608 3.547 10.919 1.00 24.50 H new ATOM 0 HE ARG A 105 6.270 1.512 10.958 1.00 70.32 H new ATOM 0 HH11 ARG A 105 7.163 4.806 9.982 1.00 52.21 H new ATOM 0 HH12 ARG A 105 8.846 4.612 10.483 1.00 52.21 H new ATOM 0 HH21 ARG A 105 8.459 1.297 11.542 1.00 61.41 H new ATOM 0 HH22 ARG A 105 9.568 2.659 11.351 1.00 61.41 H new ATOM 1801 N LYS A 106 8.222 1.290 7.046 1.00 41.34 N ATOM 1802 CA LYS A 106 9.363 0.654 6.380 1.00 21.20 C ATOM 1803 C LYS A 106 9.795 -0.571 7.176 1.00 52.12 C ATOM 1804 O LYS A 106 10.045 -0.476 8.387 1.00 23.24 O ATOM 1805 CB LYS A 106 10.513 1.689 6.263 1.00 22.10 C ATOM 1806 CG LYS A 106 11.803 1.225 5.532 1.00 1.40 C ATOM 1807 CD LYS A 106 12.867 0.565 6.446 1.00 45.41 C ATOM 1808 CE LYS A 106 13.419 1.528 7.507 1.00 63.13 C ATOM 1809 NZ LYS A 106 14.532 0.925 8.276 1.00 43.23 N ATOM 0 H LYS A 106 8.330 1.359 8.058 1.00 41.34 H new ATOM 0 HA LYS A 106 9.089 0.324 5.378 1.00 21.20 H new ATOM 0 HB2 LYS A 106 10.127 2.568 5.746 1.00 22.10 H new ATOM 0 HB3 LYS A 106 10.788 2.006 7.269 1.00 22.10 H new ATOM 0 HG2 LYS A 106 11.526 0.517 4.751 1.00 1.40 H new ATOM 0 HG3 LYS A 106 12.253 2.086 5.037 1.00 1.40 H new ATOM 0 HD2 LYS A 106 12.427 -0.301 6.941 1.00 45.41 H new ATOM 0 HD3 LYS A 106 13.689 0.198 5.832 1.00 45.41 H new ATOM 0 HE2 LYS A 106 13.765 2.441 7.023 1.00 63.13 H new ATOM 0 HE3 LYS A 106 12.619 1.813 8.190 1.00 63.13 H new ATOM 0 HZ1 LYS A 106 15.080 1.677 8.740 1.00 43.23 H new ATOM 0 HZ2 LYS A 106 14.147 0.281 8.997 1.00 43.23 H new ATOM 0 HZ3 LYS A 106 15.151 0.393 7.632 1.00 43.23 H new ATOM 1823 N VAL A 107 9.898 -1.713 6.486 1.00 63.32 N ATOM 1824 CA VAL A 107 10.285 -3.003 7.077 1.00 53.11 C ATOM 1825 C VAL A 107 11.223 -3.752 6.108 1.00 20.40 C ATOM 1826 O VAL A 107 11.094 -3.626 4.891 1.00 62.04 O ATOM 1827 CB VAL A 107 9.014 -3.894 7.406 1.00 32.54 C ATOM 1828 CG1 VAL A 107 8.131 -3.253 8.504 1.00 35.43 C ATOM 1829 CG2 VAL A 107 8.179 -4.160 6.132 1.00 32.40 C ATOM 0 H VAL A 107 9.712 -1.769 5.485 1.00 63.32 H new ATOM 0 HA VAL A 107 10.805 -2.809 8.015 1.00 53.11 H new ATOM 0 HB VAL A 107 9.381 -4.847 7.788 1.00 32.54 H new ATOM 0 HG11 VAL A 107 7.271 -3.894 8.700 1.00 35.43 H new ATOM 0 HG12 VAL A 107 8.714 -3.138 9.418 1.00 35.43 H new ATOM 0 HG13 VAL A 107 7.785 -2.275 8.168 1.00 35.43 H new ATOM 0 HG21 VAL A 107 7.314 -4.773 6.385 1.00 32.40 H new ATOM 0 HG22 VAL A 107 7.842 -3.212 5.713 1.00 32.40 H new ATOM 0 HG23 VAL A 107 8.792 -4.683 5.398 1.00 32.40 H new ATOM 1839 N THR A 108 12.206 -4.471 6.660 1.00 31.32 N ATOM 1840 CA THR A 108 13.033 -5.433 5.894 1.00 2.22 C ATOM 1841 C THR A 108 12.559 -6.875 6.190 1.00 55.02 C ATOM 1842 O THR A 108 12.775 -7.797 5.393 1.00 33.20 O ATOM 1843 CB THR A 108 14.557 -5.258 6.233 1.00 10.42 C ATOM 1844 OG1 THR A 108 14.912 -3.867 6.125 1.00 64.13 O ATOM 1845 CG2 THR A 108 15.474 -6.073 5.292 1.00 40.31 C ATOM 0 H THR A 108 12.457 -4.409 7.647 1.00 31.32 H new ATOM 0 HA THR A 108 12.911 -5.235 4.829 1.00 2.22 H new ATOM 0 HB THR A 108 14.704 -5.628 7.248 1.00 10.42 H new ATOM 0 HG1 THR A 108 15.862 -3.754 6.338 1.00 64.13 H new ATOM 0 HG21 THR A 108 16.515 -5.915 5.572 1.00 40.31 H new ATOM 0 HG22 THR A 108 15.233 -7.133 5.377 1.00 40.31 H new ATOM 0 HG23 THR A 108 15.321 -5.747 4.263 1.00 40.31 H new ATOM 1853 N ASP A 109 11.871 -7.039 7.338 1.00 11.15 N ATOM 1854 CA ASP A 109 11.390 -8.347 7.823 1.00 23.13 C ATOM 1855 C ASP A 109 9.974 -8.669 7.308 1.00 1.03 C ATOM 1856 O ASP A 109 9.118 -7.779 7.200 1.00 30.31 O ATOM 1857 CB ASP A 109 11.395 -8.396 9.374 1.00 53.25 C ATOM 1858 CG ASP A 109 12.801 -8.282 9.988 1.00 74.25 C ATOM 1859 OD1 ASP A 109 13.589 -9.241 9.865 1.00 11.23 O ATOM 1860 OD2 ASP A 109 13.129 -7.242 10.594 1.00 72.23 O ATOM 0 H ASP A 109 11.633 -6.264 7.957 1.00 11.15 H new ATOM 0 HA ASP A 109 12.076 -9.098 7.432 1.00 23.13 H new ATOM 0 HB2 ASP A 109 10.773 -7.587 9.757 1.00 53.25 H new ATOM 0 HB3 ASP A 109 10.939 -9.330 9.701 1.00 53.25 H new ATOM 1865 N ASP A 110 9.764 -9.966 7.007 1.00 53.23 N ATOM 1866 CA ASP A 110 8.442 -10.559 6.706 1.00 13.50 C ATOM 1867 C ASP A 110 7.479 -10.363 7.892 1.00 2.35 C ATOM 1868 O ASP A 110 6.356 -9.869 7.716 1.00 21.32 O ATOM 1869 CB ASP A 110 8.626 -12.078 6.368 1.00 13.12 C ATOM 1870 CG ASP A 110 7.381 -12.966 6.620 1.00 21.20 C ATOM 1871 OD1 ASP A 110 6.489 -13.034 5.752 1.00 21.24 O ATOM 1872 OD2 ASP A 110 7.298 -13.615 7.693 1.00 64.10 O ATOM 0 H ASP A 110 10.523 -10.646 6.965 1.00 53.23 H new ATOM 0 HA ASP A 110 8.003 -10.057 5.844 1.00 13.50 H new ATOM 0 HB2 ASP A 110 8.911 -12.169 5.320 1.00 13.12 H new ATOM 0 HB3 ASP A 110 9.455 -12.467 6.958 1.00 13.12 H new ATOM 1877 N GLU A 111 7.961 -10.738 9.098 1.00 54.10 N ATOM 1878 CA GLU A 111 7.180 -10.684 10.345 1.00 2.42 C ATOM 1879 C GLU A 111 6.655 -9.260 10.607 1.00 2.23 C ATOM 1880 O GLU A 111 5.473 -9.079 10.893 1.00 15.50 O ATOM 1881 CB GLU A 111 8.034 -11.197 11.550 1.00 24.31 C ATOM 1882 CG GLU A 111 9.335 -10.407 11.826 1.00 32.53 C ATOM 1883 CD GLU A 111 10.108 -10.896 13.065 1.00 30.24 C ATOM 1884 OE1 GLU A 111 10.929 -11.828 12.938 1.00 40.04 O ATOM 1885 OE2 GLU A 111 9.895 -10.353 14.170 1.00 4.13 O ATOM 0 H GLU A 111 8.910 -11.088 9.230 1.00 54.10 H new ATOM 0 HA GLU A 111 6.317 -11.341 10.235 1.00 2.42 H new ATOM 0 HB2 GLU A 111 7.416 -11.172 12.448 1.00 24.31 H new ATOM 0 HB3 GLU A 111 8.294 -12.240 11.371 1.00 24.31 H new ATOM 0 HG2 GLU A 111 9.984 -10.478 10.953 1.00 32.53 H new ATOM 0 HG3 GLU A 111 9.089 -9.353 11.956 1.00 32.53 H new ATOM 1892 N GLU A 112 7.541 -8.262 10.432 1.00 73.43 N ATOM 1893 CA GLU A 112 7.232 -6.851 10.702 1.00 13.13 C ATOM 1894 C GLU A 112 6.257 -6.278 9.665 1.00 34.44 C ATOM 1895 O GLU A 112 5.473 -5.392 9.996 1.00 21.34 O ATOM 1896 CB GLU A 112 8.541 -6.026 10.760 1.00 44.51 C ATOM 1897 CG GLU A 112 9.432 -6.312 11.988 1.00 23.14 C ATOM 1898 CD GLU A 112 8.791 -5.858 13.316 1.00 22.22 C ATOM 1899 OE1 GLU A 112 8.974 -4.688 13.712 1.00 13.53 O ATOM 1900 OE2 GLU A 112 8.098 -6.664 13.969 1.00 41.41 O ATOM 0 H GLU A 112 8.493 -8.415 10.098 1.00 73.43 H new ATOM 0 HA GLU A 112 6.737 -6.787 11.671 1.00 13.13 H new ATOM 0 HB2 GLU A 112 9.118 -6.222 9.856 1.00 44.51 H new ATOM 0 HB3 GLU A 112 8.287 -4.966 10.752 1.00 44.51 H new ATOM 0 HG2 GLU A 112 9.640 -7.381 12.038 1.00 23.14 H new ATOM 0 HG3 GLU A 112 10.389 -5.806 11.861 1.00 23.14 H new ATOM 1907 N ALA A 113 6.304 -6.797 8.420 1.00 30.15 N ATOM 1908 CA ALA A 113 5.380 -6.386 7.342 1.00 32.22 C ATOM 1909 C ALA A 113 3.938 -6.776 7.693 1.00 33.23 C ATOM 1910 O ALA A 113 3.015 -5.963 7.561 1.00 73.45 O ATOM 1911 CB ALA A 113 5.802 -7.013 5.999 1.00 41.30 C ATOM 0 H ALA A 113 6.978 -7.507 8.135 1.00 30.15 H new ATOM 0 HA ALA A 113 5.427 -5.302 7.242 1.00 32.22 H new ATOM 0 HB1 ALA A 113 5.110 -6.699 5.218 1.00 41.30 H new ATOM 0 HB2 ALA A 113 6.810 -6.685 5.745 1.00 41.30 H new ATOM 0 HB3 ALA A 113 5.785 -8.100 6.083 1.00 41.30 H new ATOM 1917 N LEU A 114 3.775 -8.018 8.192 1.00 23.12 N ATOM 1918 CA LEU A 114 2.468 -8.562 8.610 1.00 74.02 C ATOM 1919 C LEU A 114 1.942 -7.803 9.843 1.00 34.12 C ATOM 1920 O LEU A 114 0.728 -7.629 10.001 1.00 72.20 O ATOM 1921 CB LEU A 114 2.590 -10.080 8.919 1.00 5.22 C ATOM 1922 CG LEU A 114 3.168 -10.968 7.772 1.00 70.34 C ATOM 1923 CD1 LEU A 114 3.241 -12.445 8.189 1.00 24.31 C ATOM 1924 CD2 LEU A 114 2.375 -10.799 6.460 1.00 61.44 C ATOM 0 H LEU A 114 4.547 -8.673 8.316 1.00 23.12 H new ATOM 0 HA LEU A 114 1.758 -8.430 7.793 1.00 74.02 H new ATOM 0 HB2 LEU A 114 3.221 -10.202 9.799 1.00 5.22 H new ATOM 0 HB3 LEU A 114 1.602 -10.458 9.181 1.00 5.22 H new ATOM 0 HG LEU A 114 4.185 -10.624 7.583 1.00 70.34 H new ATOM 0 HD11 LEU A 114 3.648 -13.035 7.368 1.00 24.31 H new ATOM 0 HD12 LEU A 114 3.886 -12.545 9.062 1.00 24.31 H new ATOM 0 HD13 LEU A 114 2.241 -12.804 8.433 1.00 24.31 H new ATOM 0 HD21 LEU A 114 2.810 -11.434 5.688 1.00 61.44 H new ATOM 0 HD22 LEU A 114 1.336 -11.086 6.623 1.00 61.44 H new ATOM 0 HD23 LEU A 114 2.418 -9.758 6.140 1.00 61.44 H new ATOM 1936 N LYS A 115 2.882 -7.349 10.702 1.00 32.54 N ATOM 1937 CA LYS A 115 2.562 -6.521 11.879 1.00 15.21 C ATOM 1938 C LYS A 115 1.962 -5.178 11.442 1.00 51.42 C ATOM 1939 O LYS A 115 0.921 -4.805 11.950 1.00 1.41 O ATOM 1940 CB LYS A 115 3.815 -6.287 12.776 1.00 45.23 C ATOM 1941 CG LYS A 115 4.388 -7.560 13.443 1.00 42.31 C ATOM 1942 CD LYS A 115 3.432 -8.208 14.479 1.00 63.00 C ATOM 1943 CE LYS A 115 3.244 -7.352 15.742 1.00 40.45 C ATOM 1944 NZ LYS A 115 2.365 -8.012 16.733 1.00 33.23 N ATOM 0 H LYS A 115 3.877 -7.547 10.597 1.00 32.54 H new ATOM 0 HA LYS A 115 1.826 -7.063 12.472 1.00 15.21 H new ATOM 0 HB2 LYS A 115 4.597 -5.829 12.170 1.00 45.23 H new ATOM 0 HB3 LYS A 115 3.556 -5.571 13.556 1.00 45.23 H new ATOM 0 HG2 LYS A 115 4.620 -8.292 12.669 1.00 42.31 H new ATOM 0 HG3 LYS A 115 5.327 -7.309 13.936 1.00 42.31 H new ATOM 0 HD2 LYS A 115 2.461 -8.376 14.013 1.00 63.00 H new ATOM 0 HD3 LYS A 115 3.823 -9.185 14.764 1.00 63.00 H new ATOM 0 HE2 LYS A 115 4.216 -7.155 16.194 1.00 40.45 H new ATOM 0 HE3 LYS A 115 2.819 -6.387 15.466 1.00 40.45 H new ATOM 0 HZ1 LYS A 115 2.265 -7.402 17.569 1.00 33.23 H new ATOM 0 HZ2 LYS A 115 1.429 -8.178 16.311 1.00 33.23 H new ATOM 0 HZ3 LYS A 115 2.783 -8.921 17.016 1.00 33.23 H new ATOM 1958 N ILE A 116 2.611 -4.487 10.465 1.00 61.05 N ATOM 1959 CA ILE A 116 2.173 -3.143 9.986 1.00 43.14 C ATOM 1960 C ILE A 116 0.767 -3.197 9.353 1.00 61.44 C ATOM 1961 O ILE A 116 -0.013 -2.247 9.491 1.00 75.44 O ATOM 1962 CB ILE A 116 3.189 -2.505 8.962 1.00 5.33 C ATOM 1963 CG1 ILE A 116 4.615 -2.371 9.583 1.00 43.23 C ATOM 1964 CG2 ILE A 116 2.692 -1.125 8.439 1.00 1.11 C ATOM 1965 CD1 ILE A 116 4.705 -1.498 10.820 1.00 40.15 C ATOM 0 H ILE A 116 3.443 -4.839 9.991 1.00 61.05 H new ATOM 0 HA ILE A 116 2.141 -2.507 10.871 1.00 43.14 H new ATOM 0 HB ILE A 116 3.249 -3.184 8.111 1.00 5.33 H new ATOM 0 HG12 ILE A 116 4.979 -3.367 9.835 1.00 43.23 H new ATOM 0 HG13 ILE A 116 5.287 -1.968 8.825 1.00 43.23 H new ATOM 0 HG21 ILE A 116 3.420 -0.719 7.736 1.00 1.11 H new ATOM 0 HG22 ILE A 116 1.733 -1.250 7.936 1.00 1.11 H new ATOM 0 HG23 ILE A 116 2.575 -0.439 9.278 1.00 1.11 H new ATOM 0 HD11 ILE A 116 5.736 -1.471 11.172 1.00 40.15 H new ATOM 0 HD12 ILE A 116 4.378 -0.487 10.576 1.00 40.15 H new ATOM 0 HD13 ILE A 116 4.065 -1.908 11.602 1.00 40.15 H new ATOM 1977 N VAL A 117 0.458 -4.316 8.667 1.00 53.00 N ATOM 1978 CA VAL A 117 -0.886 -4.567 8.105 1.00 60.42 C ATOM 1979 C VAL A 117 -1.945 -4.490 9.227 1.00 22.54 C ATOM 1980 O VAL A 117 -2.958 -3.803 9.085 1.00 11.24 O ATOM 1981 CB VAL A 117 -0.951 -5.966 7.368 1.00 32.13 C ATOM 1982 CG1 VAL A 117 -2.380 -6.293 6.865 1.00 14.00 C ATOM 1983 CG2 VAL A 117 0.064 -6.016 6.195 1.00 14.35 C ATOM 0 H VAL A 117 1.126 -5.066 8.488 1.00 53.00 H new ATOM 0 HA VAL A 117 -1.098 -3.797 7.363 1.00 60.42 H new ATOM 0 HB VAL A 117 -0.681 -6.728 8.099 1.00 32.13 H new ATOM 0 HG11 VAL A 117 -2.377 -7.262 6.366 1.00 14.00 H new ATOM 0 HG12 VAL A 117 -3.066 -6.323 7.712 1.00 14.00 H new ATOM 0 HG13 VAL A 117 -2.704 -5.524 6.163 1.00 14.00 H new ATOM 0 HG21 VAL A 117 0.003 -6.986 5.702 1.00 14.35 H new ATOM 0 HG22 VAL A 117 -0.170 -5.229 5.478 1.00 14.35 H new ATOM 0 HG23 VAL A 117 1.073 -5.868 6.580 1.00 14.35 H new ATOM 1993 N ARG A 118 -1.641 -5.145 10.362 1.00 33.02 N ATOM 1994 CA ARG A 118 -2.517 -5.176 11.553 1.00 21.21 C ATOM 1995 C ARG A 118 -2.546 -3.790 12.256 1.00 11.41 C ATOM 1996 O ARG A 118 -3.598 -3.356 12.742 1.00 52.22 O ATOM 1997 CB ARG A 118 -2.026 -6.273 12.536 1.00 34.50 C ATOM 1998 CG ARG A 118 -1.909 -7.691 11.923 1.00 62.12 C ATOM 1999 CD ARG A 118 -1.267 -8.705 12.891 1.00 12.23 C ATOM 2000 NE ARG A 118 -0.971 -9.998 12.244 1.00 63.11 N ATOM 2001 CZ ARG A 118 -0.225 -10.985 12.779 1.00 4.22 C ATOM 2002 NH1 ARG A 118 0.318 -10.859 13.978 1.00 64.11 N ATOM 2003 NH2 ARG A 118 -0.023 -12.098 12.097 1.00 55.41 N ATOM 0 H ARG A 118 -0.776 -5.672 10.482 1.00 33.02 H new ATOM 0 HA ARG A 118 -3.532 -5.411 11.234 1.00 21.21 H new ATOM 0 HB2 ARG A 118 -1.052 -5.980 12.927 1.00 34.50 H new ATOM 0 HB3 ARG A 118 -2.710 -6.314 13.383 1.00 34.50 H new ATOM 0 HG2 ARG A 118 -2.901 -8.043 11.639 1.00 62.12 H new ATOM 0 HG3 ARG A 118 -1.316 -7.640 11.010 1.00 62.12 H new ATOM 0 HD2 ARG A 118 -0.345 -8.285 13.293 1.00 12.23 H new ATOM 0 HD3 ARG A 118 -1.937 -8.870 13.735 1.00 12.23 H new ATOM 0 HE ARG A 118 -1.363 -10.158 11.316 1.00 63.11 H new ATOM 0 HH11 ARG A 118 0.175 -10.004 14.515 1.00 64.11 H new ATOM 0 HH12 ARG A 118 0.879 -11.617 14.366 1.00 64.11 H new ATOM 0 HH21 ARG A 118 -0.431 -12.208 11.169 1.00 55.41 H new ATOM 0 HH22 ARG A 118 0.541 -12.847 12.499 1.00 55.41 H new ATOM 2017 N GLU A 119 -1.372 -3.119 12.308 1.00 54.15 N ATOM 2018 CA GLU A 119 -1.218 -1.764 12.892 1.00 72.35 C ATOM 2019 C GLU A 119 -2.092 -0.731 12.167 1.00 4.01 C ATOM 2020 O GLU A 119 -2.639 0.176 12.806 1.00 74.23 O ATOM 2021 CB GLU A 119 0.264 -1.298 12.855 1.00 62.03 C ATOM 2022 CG GLU A 119 1.256 -2.167 13.658 1.00 2.10 C ATOM 2023 CD GLU A 119 0.861 -2.357 15.133 1.00 22.34 C ATOM 2024 OE1 GLU A 119 1.135 -1.457 15.953 1.00 74.13 O ATOM 2025 OE2 GLU A 119 0.299 -3.416 15.485 1.00 52.21 O ATOM 0 H GLU A 119 -0.500 -3.503 11.944 1.00 54.15 H new ATOM 0 HA GLU A 119 -1.545 -1.833 13.929 1.00 72.35 H new ATOM 0 HB2 GLU A 119 0.592 -1.270 11.816 1.00 62.03 H new ATOM 0 HB3 GLU A 119 0.315 -0.277 13.233 1.00 62.03 H new ATOM 0 HG2 GLU A 119 1.334 -3.145 13.184 1.00 2.10 H new ATOM 0 HG3 GLU A 119 2.245 -1.710 13.612 1.00 2.10 H new ATOM 2032 N PHE A 120 -2.211 -0.875 10.831 1.00 24.53 N ATOM 2033 CA PHE A 120 -3.076 -0.010 10.012 1.00 12.44 C ATOM 2034 C PHE A 120 -4.547 -0.171 10.410 1.00 73.00 C ATOM 2035 O PHE A 120 -5.291 0.780 10.348 1.00 70.41 O ATOM 2036 CB PHE A 120 -2.915 -0.296 8.492 1.00 1.23 C ATOM 2037 CG PHE A 120 -3.896 0.503 7.605 1.00 40.11 C ATOM 2038 CD1 PHE A 120 -3.701 1.866 7.375 1.00 0.12 C ATOM 2039 CD2 PHE A 120 -5.029 -0.101 7.040 1.00 43.34 C ATOM 2040 CE1 PHE A 120 -4.595 2.595 6.610 1.00 20.44 C ATOM 2041 CE2 PHE A 120 -5.924 0.635 6.281 1.00 13.24 C ATOM 2042 CZ PHE A 120 -5.704 1.980 6.063 1.00 13.25 C ATOM 0 H PHE A 120 -1.714 -1.588 10.297 1.00 24.53 H new ATOM 0 HA PHE A 120 -2.761 1.016 10.201 1.00 12.44 H new ATOM 0 HB2 PHE A 120 -1.894 -0.061 8.193 1.00 1.23 H new ATOM 0 HB3 PHE A 120 -3.062 -1.361 8.314 1.00 1.23 H new ATOM 0 HD1 PHE A 120 -2.839 2.359 7.800 1.00 0.12 H new ATOM 0 HD2 PHE A 120 -5.206 -1.154 7.199 1.00 43.34 H new ATOM 0 HE1 PHE A 120 -4.425 3.648 6.440 1.00 20.44 H new ATOM 0 HE2 PHE A 120 -6.795 0.156 5.859 1.00 13.24 H new ATOM 0 HZ PHE A 120 -6.399 2.551 5.465 1.00 13.25 H new ATOM 2052 N MET A 121 -4.944 -1.383 10.810 1.00 34.53 N ATOM 2053 CA MET A 121 -6.360 -1.703 11.097 1.00 4.14 C ATOM 2054 C MET A 121 -6.899 -0.921 12.307 1.00 23.13 C ATOM 2055 O MET A 121 -8.067 -0.522 12.322 1.00 13.10 O ATOM 2056 CB MET A 121 -6.531 -3.223 11.292 1.00 41.24 C ATOM 2057 CG MET A 121 -5.941 -4.044 10.140 1.00 63.20 C ATOM 2058 SD MET A 121 -6.465 -3.458 8.515 1.00 13.23 S ATOM 2059 CE MET A 121 -5.646 -4.574 7.380 1.00 72.12 C ATOM 0 H MET A 121 -4.306 -2.168 10.945 1.00 34.53 H new ATOM 0 HA MET A 121 -6.953 -1.391 10.237 1.00 4.14 H new ATOM 0 HB2 MET A 121 -6.053 -3.520 12.225 1.00 41.24 H new ATOM 0 HB3 MET A 121 -7.592 -3.454 11.390 1.00 41.24 H new ATOM 0 HG2 MET A 121 -4.853 -4.012 10.198 1.00 63.20 H new ATOM 0 HG3 MET A 121 -6.236 -5.087 10.256 1.00 63.20 H new ATOM 0 HE1 MET A 121 -5.100 -3.997 6.634 1.00 72.12 H new ATOM 0 HE2 MET A 121 -4.950 -5.207 7.931 1.00 72.12 H new ATOM 0 HE3 MET A 121 -6.389 -5.198 6.884 1.00 72.12 H new ATOM 2069 N GLN A 122 -6.025 -0.684 13.301 1.00 1.33 N ATOM 2070 CA GLN A 122 -6.373 0.102 14.502 1.00 20.52 C ATOM 2071 C GLN A 122 -6.097 1.605 14.270 1.00 11.41 C ATOM 2072 O GLN A 122 -6.770 2.464 14.854 1.00 14.12 O ATOM 2073 CB GLN A 122 -5.624 -0.437 15.748 1.00 41.15 C ATOM 2074 CG GLN A 122 -4.080 -0.412 15.665 1.00 32.44 C ATOM 2075 CD GLN A 122 -3.408 -0.981 16.917 1.00 33.25 C ATOM 2076 OE1 GLN A 122 -3.108 -2.168 16.992 1.00 50.33 O ATOM 2077 NE2 GLN A 122 -3.200 -0.146 17.920 1.00 54.14 N ATOM 0 H GLN A 122 -5.065 -1.028 13.297 1.00 1.33 H new ATOM 0 HA GLN A 122 -7.441 -0.008 14.692 1.00 20.52 H new ATOM 0 HB2 GLN A 122 -5.932 0.147 16.615 1.00 41.15 H new ATOM 0 HB3 GLN A 122 -5.943 -1.464 15.925 1.00 41.15 H new ATOM 0 HG2 GLN A 122 -3.758 -0.984 14.794 1.00 32.44 H new ATOM 0 HG3 GLN A 122 -3.746 0.614 15.514 1.00 32.44 H new ATOM 0 HE21 GLN A 122 -3.460 0.836 17.828 1.00 54.14 H new ATOM 0 HE22 GLN A 122 -2.779 -0.484 18.786 1.00 54.14 H new