USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 hydrogens (7 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 32 GLN : amide:sc= -2.37! K(o=-1.4!,f=-2.7) USER MOD Set 1.2: A 117 SER OG : rot 23:sc= 0.975 USER MOD Single : A 38 ASN : amide:sc= 1 K(o=1,f=-5.3!) USER MOD Single : A 41 GLN : amide:sc= -0.993 K(o=-0.99,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.074) USER MOD Single : A 60 LYS NZ :NH3+ -121:sc= 0.245 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= 1.08 (180deg=0.71) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A 72 SER OG : rot 80:sc= 1.13 USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 131:sc= -0.0634 (180deg=-0.454) USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= -0.0104 (180deg=-0.197) USER MOD Single : A 85 SER OG : rot -93:sc= 1.17 USER MOD Single : A 87 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.16) USER MOD Single : A 89 ASN : amide:sc= -0.149 K(o=-0.15,f=-4.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 97:sc= 0.0979 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc=-0.000386 K(o=-0.00039,f=-0.81) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00313 USER MOD Single : A 103 THR OG1 : rot -56:sc= 0.117 USER MOD Single : A 104 LYS NZ :NH3+ -153:sc= 1.24 (180deg=1.09) USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.974) USER MOD Single : A 108 HIS : no HD1:sc= -1.11 K(o=-1.1,f=0) USER MOD Single : A 109 MET CE :methyl 157:sc= -0.284 (180deg=-1.67) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 173:sc= 1.18 (180deg=0.786) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 118 TYR OH : rot 15:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 HC4 O4' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 13.526 -8.402 -8.672 1.00 8.65 N ATOM 2 CA LEU A 26 12.359 -7.814 -9.365 1.00 7.71 C ATOM 3 C LEU A 26 11.472 -7.101 -8.352 1.00 6.76 C ATOM 4 O LEU A 26 10.828 -7.736 -7.516 1.00 6.84 O ATOM 5 CB LEU A 26 11.575 -8.911 -10.109 1.00 7.84 C ATOM 6 CG LEU A 26 10.523 -8.427 -11.121 1.00 8.33 C ATOM 7 CD1 LEU A 26 10.218 -9.524 -12.128 1.00 8.50 C ATOM 8 CD2 LEU A 26 9.239 -7.998 -10.425 1.00 8.72 C ATOM 0 HA LEU A 26 12.701 -7.087 -10.101 1.00 7.71 H new ATOM 0 HB2 LEU A 26 12.289 -9.546 -10.634 1.00 7.84 H new ATOM 0 HB3 LEU A 26 11.076 -9.537 -9.369 1.00 7.84 H new ATOM 0 HG LEU A 26 10.936 -7.562 -11.640 1.00 8.33 H new ATOM 0 HD11 LEU A 26 9.472 -9.168 -12.839 1.00 8.50 H new ATOM 0 HD12 LEU A 26 11.130 -9.791 -12.662 1.00 8.50 H new ATOM 0 HD13 LEU A 26 9.833 -10.400 -11.606 1.00 8.50 H new ATOM 0 HD21 LEU A 26 8.517 -7.662 -11.169 1.00 8.72 H new ATOM 0 HD22 LEU A 26 8.825 -8.842 -9.873 1.00 8.72 H new ATOM 0 HD23 LEU A 26 9.454 -7.183 -9.734 1.00 8.72 H new ATOM 20 N ALA A 27 11.449 -5.780 -8.419 1.00 6.18 N ATOM 21 CA ALA A 27 10.655 -4.990 -7.497 1.00 5.48 C ATOM 22 C ALA A 27 9.370 -4.522 -8.163 1.00 4.38 C ATOM 23 O ALA A 27 9.328 -3.456 -8.780 1.00 4.57 O ATOM 24 CB ALA A 27 11.456 -3.806 -6.978 1.00 6.04 C ATOM 0 H ALA A 27 11.972 -5.233 -9.103 1.00 6.18 H new ATOM 0 HA ALA A 27 10.389 -5.619 -6.647 1.00 5.48 H new ATOM 0 HB1 ALA A 27 10.843 -3.226 -6.288 1.00 6.04 H new ATOM 0 HB2 ALA A 27 12.344 -4.167 -6.459 1.00 6.04 H new ATOM 0 HB3 ALA A 27 11.756 -3.175 -7.815 1.00 6.04 H new ATOM 30 N PHE A 28 8.330 -5.338 -8.061 1.00 3.64 N ATOM 31 CA PHE A 28 7.038 -4.986 -8.627 1.00 2.91 C ATOM 32 C PHE A 28 6.288 -4.083 -7.653 1.00 1.94 C ATOM 33 O PHE A 28 5.462 -4.541 -6.864 1.00 2.30 O ATOM 34 CB PHE A 28 6.218 -6.243 -8.937 1.00 3.48 C ATOM 35 CG PHE A 28 5.210 -6.059 -10.041 1.00 4.19 C ATOM 36 CD1 PHE A 28 5.295 -6.789 -11.216 1.00 4.76 C ATOM 37 CD2 PHE A 28 4.179 -5.143 -9.901 1.00 4.70 C ATOM 38 CE1 PHE A 28 4.372 -6.610 -12.229 1.00 5.72 C ATOM 39 CE2 PHE A 28 3.252 -4.961 -10.910 1.00 5.68 C ATOM 40 CZ PHE A 28 3.346 -5.742 -12.081 1.00 6.15 C ATOM 0 H PHE A 28 8.356 -6.244 -7.593 1.00 3.64 H new ATOM 0 HA PHE A 28 7.195 -4.452 -9.564 1.00 2.91 H new ATOM 0 HB2 PHE A 28 6.898 -7.050 -9.210 1.00 3.48 H new ATOM 0 HB3 PHE A 28 5.698 -6.557 -8.032 1.00 3.48 H new ATOM 0 HD1 PHE A 28 6.092 -7.507 -11.342 1.00 4.76 H new ATOM 0 HD2 PHE A 28 4.099 -4.565 -8.992 1.00 4.70 H new ATOM 0 HE1 PHE A 28 4.471 -7.169 -13.148 1.00 5.72 H new ATOM 0 HE2 PHE A 28 2.465 -4.229 -10.803 1.00 5.68 H new ATOM 0 HZ PHE A 28 2.601 -5.647 -12.857 1.00 6.15 H new ATOM 50 N GLY A 29 6.605 -2.801 -7.698 1.00 1.43 N ATOM 51 CA GLY A 29 6.029 -1.860 -6.762 1.00 0.99 C ATOM 52 C GLY A 29 4.690 -1.322 -7.209 1.00 0.78 C ATOM 53 O GLY A 29 4.540 -0.118 -7.402 1.00 1.00 O ATOM 0 H GLY A 29 7.255 -2.392 -8.370 1.00 1.43 H new ATOM 0 HA2 GLY A 29 5.913 -2.346 -5.793 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.719 -1.028 -6.621 1.00 0.99 H new ATOM 57 N ALA A 30 3.717 -2.204 -7.376 1.00 0.70 N ATOM 58 CA ALA A 30 2.373 -1.778 -7.725 1.00 0.54 C ATOM 59 C ALA A 30 1.331 -2.692 -7.092 1.00 0.49 C ATOM 60 O ALA A 30 1.080 -3.799 -7.572 1.00 0.60 O ATOM 61 CB ALA A 30 2.197 -1.744 -9.237 1.00 0.68 C ATOM 0 H ALA A 30 3.832 -3.213 -7.276 1.00 0.70 H new ATOM 0 HA ALA A 30 2.227 -0.771 -7.335 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.184 -1.423 -9.478 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.912 -1.045 -9.671 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.369 -2.740 -9.646 1.00 0.68 H new ATOM 67 N ILE A 31 0.727 -2.226 -6.016 1.00 0.40 N ATOM 68 CA ILE A 31 -0.315 -2.975 -5.336 1.00 0.39 C ATOM 69 C ILE A 31 -1.528 -2.089 -5.105 1.00 0.35 C ATOM 70 O ILE A 31 -1.398 -0.888 -4.896 1.00 0.36 O ATOM 71 CB ILE A 31 0.115 -3.515 -4.201 1.00 0.46 C ATOM 72 CG1 ILE A 31 -0.979 -4.312 -3.500 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.722 -2.465 -3.273 1.00 0.52 C ATOM 74 CD1 ILE A 31 -0.563 -4.881 -2.159 1.00 0.90 C ATOM 0 H ILE A 31 0.942 -1.324 -5.590 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.606 -3.804 -5.981 1.00 0.39 H new ATOM 0 HB ILE A 31 0.907 -4.217 -4.463 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -1.848 -3.669 -3.357 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.291 -5.130 -4.149 1.00 0.48 H new ATOM 0 HG21 ILE A 31 1.063 -2.944 -2.355 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.567 -1.987 -3.768 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.030 -1.713 -3.033 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -1.396 -5.434 -1.724 1.00 0.90 H new ATOM 0 HD12 ILE A 31 0.286 -5.551 -2.296 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -0.279 -4.068 -1.491 1.00 0.90 H new ATOM 86 N GLN A 32 -2.701 -2.661 -5.262 1.00 0.38 N ATOM 87 CA GLN A 32 -3.925 -1.914 -5.160 1.00 0.40 C ATOM 88 C GLN A 32 -4.720 -2.382 -3.943 1.00 0.37 C ATOM 89 O GLN A 32 -4.932 -3.585 -3.743 1.00 0.44 O ATOM 90 CB GLN A 32 -4.692 -2.089 -6.474 1.00 0.50 C ATOM 91 CG GLN A 32 -6.125 -2.526 -6.322 1.00 0.55 C ATOM 92 CD GLN A 32 -7.065 -1.368 -6.036 1.00 1.11 C ATOM 93 OE1 GLN A 32 -6.680 -0.372 -5.431 1.00 2.22 O ATOM 94 NE2 GLN A 32 -8.302 -1.486 -6.486 1.00 0.93 N ATOM 0 H GLN A 32 -2.828 -3.653 -5.463 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.733 -0.851 -5.011 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.672 -1.144 -7.017 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.168 -2.821 -7.088 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -6.445 -3.031 -7.233 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -6.195 -3.253 -5.513 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -8.585 -2.330 -6.985 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.974 -0.733 -6.335 1.00 0.93 H new ATOM 103 N LEU A 33 -5.133 -1.436 -3.116 1.00 0.34 N ATOM 104 CA LEU A 33 -5.894 -1.757 -1.916 1.00 0.36 C ATOM 105 C LEU A 33 -7.193 -0.972 -1.874 1.00 0.35 C ATOM 106 O LEU A 33 -7.330 0.061 -2.517 1.00 0.43 O ATOM 107 CB LEU A 33 -5.044 -1.527 -0.652 1.00 0.45 C ATOM 108 CG LEU A 33 -4.377 -0.151 -0.511 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.377 0.905 -0.069 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.221 -0.226 0.471 1.00 0.71 C ATOM 0 H LEU A 33 -4.956 -0.441 -3.251 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.155 -2.815 -1.945 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.679 -1.688 0.219 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.264 -2.288 -0.623 1.00 0.45 H new ATOM 0 HG LEU A 33 -3.994 0.139 -1.489 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.874 1.868 0.022 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.176 0.981 -0.807 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.800 0.625 0.896 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.757 0.756 0.562 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.592 -0.544 1.446 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.484 -0.944 0.111 1.00 0.71 H new ATOM 122 N ASP A 34 -8.154 -1.479 -1.127 1.00 0.35 N ATOM 123 CA ASP A 34 -9.455 -0.834 -1.033 1.00 0.45 C ATOM 124 C ASP A 34 -9.410 0.343 -0.079 1.00 0.53 C ATOM 125 O ASP A 34 -8.559 0.421 0.809 1.00 0.58 O ATOM 126 CB ASP A 34 -10.553 -1.826 -0.612 1.00 0.55 C ATOM 127 CG ASP A 34 -10.305 -2.493 0.731 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.090 -1.783 1.734 1.00 0.88 O ATOM 129 OD2 ASP A 34 -10.362 -3.738 0.795 1.00 1.15 O ATOM 0 H ASP A 34 -8.062 -2.333 -0.577 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.704 -0.464 -2.028 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.507 -1.301 -0.574 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.644 -2.597 -1.377 1.00 0.55 H new ATOM 134 N GLY A 35 -10.342 1.259 -0.269 1.00 0.67 N ATOM 135 CA GLY A 35 -10.431 2.426 0.581 1.00 0.84 C ATOM 136 C GLY A 35 -11.150 2.117 1.870 1.00 0.85 C ATOM 137 O GLY A 35 -11.899 2.944 2.395 1.00 1.20 O ATOM 0 H GLY A 35 -11.047 1.215 -1.005 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.429 2.794 0.801 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.955 3.223 0.053 1.00 0.84 H new ATOM 141 N ASP A 36 -10.938 0.910 2.360 1.00 0.69 N ATOM 142 CA ASP A 36 -11.571 0.446 3.578 1.00 0.83 C ATOM 143 C ASP A 36 -10.512 0.002 4.581 1.00 0.83 C ATOM 144 O ASP A 36 -10.746 -0.006 5.792 1.00 1.10 O ATOM 145 CB ASP A 36 -12.517 -0.706 3.250 1.00 0.89 C ATOM 146 CG ASP A 36 -13.463 -1.026 4.383 1.00 1.24 C ATOM 147 OD1 ASP A 36 -14.275 -0.152 4.754 1.00 1.81 O ATOM 148 OD2 ASP A 36 -13.416 -2.160 4.899 1.00 1.77 O ATOM 0 H ASP A 36 -10.322 0.224 1.924 1.00 0.69 H new ATOM 0 HA ASP A 36 -12.144 1.259 4.023 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.094 -0.454 2.361 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -11.932 -1.594 3.009 1.00 0.89 H new ATOM 153 N GLY A 37 -9.345 -0.374 4.069 1.00 0.67 N ATOM 154 CA GLY A 37 -8.229 -0.703 4.933 1.00 0.81 C ATOM 155 C GLY A 37 -7.602 -2.047 4.617 1.00 0.78 C ATOM 156 O GLY A 37 -6.733 -2.517 5.352 1.00 1.05 O ATOM 0 H GLY A 37 -9.153 -0.456 3.071 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.470 0.074 4.846 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.568 -0.703 5.969 1.00 0.81 H new ATOM 160 N ASN A 38 -8.028 -2.672 3.528 1.00 0.61 N ATOM 161 CA ASN A 38 -7.517 -3.988 3.166 1.00 0.73 C ATOM 162 C ASN A 38 -7.002 -3.994 1.742 1.00 0.57 C ATOM 163 O ASN A 38 -7.339 -3.127 0.942 1.00 0.49 O ATOM 164 CB ASN A 38 -8.604 -5.055 3.325 1.00 0.95 C ATOM 165 CG ASN A 38 -9.089 -5.190 4.753 1.00 1.13 C ATOM 166 OD1 ASN A 38 -8.510 -5.931 5.548 1.00 1.57 O ATOM 167 ND2 ASN A 38 -10.168 -4.496 5.079 1.00 1.38 N ATOM 0 H ASN A 38 -8.721 -2.293 2.883 1.00 0.61 H new ATOM 0 HA ASN A 38 -6.692 -4.220 3.840 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -9.448 -4.806 2.681 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -8.216 -6.015 2.985 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -10.552 -4.563 6.022 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -10.615 -3.894 4.388 1.00 1.38 H new ATOM 174 N ILE A 39 -6.153 -4.961 1.435 1.00 0.65 N ATOM 175 CA ILE A 39 -5.665 -5.129 0.090 1.00 0.57 C ATOM 176 C ILE A 39 -6.789 -5.640 -0.801 1.00 0.59 C ATOM 177 O ILE A 39 -7.645 -6.403 -0.353 1.00 0.77 O ATOM 178 CB ILE A 39 -4.654 -5.977 0.083 1.00 0.62 C ATOM 179 CG1 ILE A 39 -3.598 -5.537 1.088 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.041 -6.116 -1.306 1.00 0.61 C ATOM 181 CD1 ILE A 39 -2.746 -4.366 0.643 1.00 1.18 C ATOM 0 H ILE A 39 -5.791 -5.639 2.105 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.319 -4.169 -0.292 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.038 -6.956 0.369 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -4.093 -5.273 2.022 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -2.945 -6.383 1.301 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.212 -6.823 -1.269 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -4.797 -6.479 -2.003 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -3.675 -5.145 -1.641 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -2.023 -4.125 1.423 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -2.217 -4.628 -0.273 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -3.384 -3.501 0.459 1.00 1.18 H new ATOM 193 N LEU A 40 -6.829 -5.163 -2.033 1.00 0.51 N ATOM 194 CA LEU A 40 -7.863 -5.579 -2.963 1.00 0.61 C ATOM 195 C LEU A 40 -7.263 -6.469 -4.043 1.00 0.60 C ATOM 196 O LEU A 40 -7.783 -7.547 -4.324 1.00 0.72 O ATOM 197 CB LEU A 40 -8.556 -4.359 -3.579 1.00 0.66 C ATOM 198 CG LEU A 40 -9.812 -4.671 -4.397 1.00 1.07 C ATOM 199 CD1 LEU A 40 -10.825 -5.437 -3.558 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.426 -3.385 -4.931 1.00 1.54 C ATOM 0 H LEU A 40 -6.161 -4.491 -2.411 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.616 -6.152 -2.422 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.824 -3.670 -2.778 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.843 -3.840 -4.220 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.526 -5.298 -5.241 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -11.710 -5.648 -4.159 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -10.383 -6.375 -3.220 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -11.109 -4.837 -2.693 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.318 -3.621 -5.511 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.696 -2.737 -4.097 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -9.704 -2.874 -5.568 1.00 1.54 H new ATOM 212 N GLN A 41 -6.159 -6.027 -4.634 1.00 0.50 N ATOM 213 CA GLN A 41 -5.484 -6.823 -5.649 1.00 0.55 C ATOM 214 C GLN A 41 -3.996 -6.480 -5.714 1.00 0.46 C ATOM 215 O GLN A 41 -3.616 -5.358 -6.058 1.00 0.46 O ATOM 216 CB GLN A 41 -6.134 -6.608 -7.017 1.00 0.67 C ATOM 217 CG GLN A 41 -5.684 -7.612 -8.069 1.00 1.08 C ATOM 218 CD GLN A 41 -6.362 -7.412 -9.413 1.00 1.73 C ATOM 219 OE1 GLN A 41 -5.790 -7.721 -10.459 1.00 2.41 O ATOM 220 NE2 GLN A 41 -7.584 -6.904 -9.404 1.00 2.37 N ATOM 0 H GLN A 41 -5.717 -5.131 -4.430 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.582 -7.873 -5.373 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -7.217 -6.668 -6.909 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.904 -5.601 -7.365 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -4.605 -7.534 -8.198 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.890 -8.621 -7.711 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -8.028 -6.659 -8.519 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -8.082 -6.757 -10.282 1.00 2.37 H new ATOM 229 N TYR A 42 -3.160 -7.445 -5.361 1.00 0.57 N ATOM 230 CA TYR A 42 -1.718 -7.295 -5.491 1.00 0.58 C ATOM 231 C TYR A 42 -1.286 -7.697 -6.895 1.00 0.65 C ATOM 232 O TYR A 42 -1.675 -8.753 -7.393 1.00 0.79 O ATOM 233 CB TYR A 42 -1.000 -8.148 -4.439 1.00 0.71 C ATOM 234 CG TYR A 42 0.509 -8.178 -4.581 1.00 0.82 C ATOM 235 CD1 TYR A 42 1.167 -9.359 -4.894 1.00 1.09 C ATOM 236 CD2 TYR A 42 1.270 -7.030 -4.401 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.543 -9.396 -5.022 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.646 -7.058 -4.529 1.00 1.02 C ATOM 239 CZ TYR A 42 3.278 -8.244 -4.841 1.00 1.21 C ATOM 240 OH TYR A 42 4.647 -8.278 -4.968 1.00 1.42 O ATOM 0 H TYR A 42 -3.457 -8.344 -4.981 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.448 -6.252 -5.326 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.252 -7.770 -3.448 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.379 -9.169 -4.496 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.595 -10.263 -5.040 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.778 -6.100 -4.157 1.00 0.82 H new ATOM 0 HE1 TYR A 42 3.040 -10.324 -5.263 1.00 1.26 H new ATOM 0 HE2 TYR A 42 3.223 -6.156 -4.386 1.00 1.02 H new ATOM 0 HH TYR A 42 5.012 -7.382 -4.810 1.00 1.42 H new ATOM 250 N ASN A 43 -0.499 -6.852 -7.537 1.00 0.63 N ATOM 251 CA ASN A 43 -0.055 -7.128 -8.893 1.00 0.75 C ATOM 252 C ASN A 43 1.331 -7.749 -8.879 1.00 0.92 C ATOM 253 O ASN A 43 2.285 -7.148 -8.394 1.00 1.02 O ATOM 254 CB ASN A 43 -0.048 -5.853 -9.746 1.00 0.78 C ATOM 255 CG ASN A 43 -1.411 -5.197 -9.833 1.00 0.73 C ATOM 256 OD1 ASN A 43 -2.230 -5.538 -10.687 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.651 -4.231 -8.962 1.00 0.88 N ATOM 0 H ASN A 43 -0.156 -5.975 -7.145 1.00 0.63 H new ATOM 0 HA ASN A 43 -0.758 -7.832 -9.337 1.00 0.75 H new ATOM 0 HB2 ASN A 43 0.665 -5.144 -9.326 1.00 0.78 H new ATOM 0 HB3 ASN A 43 0.298 -6.095 -10.751 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.543 -3.737 -8.982 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.944 -3.980 -8.271 1.00 0.88 H new ATOM 264 N ALA A 44 1.425 -8.963 -9.388 1.00 1.13 N ATOM 265 CA ALA A 44 2.700 -9.646 -9.507 1.00 1.36 C ATOM 266 C ALA A 44 2.820 -10.264 -10.892 1.00 1.78 C ATOM 267 O ALA A 44 1.850 -10.281 -11.651 1.00 2.50 O ATOM 268 CB ALA A 44 2.838 -10.711 -8.430 1.00 2.05 C ATOM 0 H ALA A 44 0.627 -9.500 -9.728 1.00 1.13 H new ATOM 0 HA ALA A 44 3.505 -8.924 -9.370 1.00 1.36 H new ATOM 0 HB1 ALA A 44 3.800 -11.212 -8.535 1.00 2.05 H new ATOM 0 HB2 ALA A 44 2.778 -10.244 -7.447 1.00 2.05 H new ATOM 0 HB3 ALA A 44 2.035 -11.441 -8.535 1.00 2.05 H new ATOM 274 N ALA A 45 3.993 -10.778 -11.219 1.00 2.22 N ATOM 275 CA ALA A 45 4.224 -11.352 -12.534 1.00 3.09 C ATOM 276 C ALA A 45 4.565 -12.833 -12.435 1.00 3.52 C ATOM 277 O ALA A 45 5.570 -13.206 -11.824 1.00 3.90 O ATOM 278 CB ALA A 45 5.335 -10.598 -13.250 1.00 4.00 C ATOM 0 H ALA A 45 4.799 -10.810 -10.594 1.00 2.22 H new ATOM 0 HA ALA A 45 3.304 -11.257 -13.111 1.00 3.09 H new ATOM 0 HB1 ALA A 45 5.498 -11.038 -14.234 1.00 4.00 H new ATOM 0 HB2 ALA A 45 5.050 -9.552 -13.363 1.00 4.00 H new ATOM 0 HB3 ALA A 45 6.253 -10.663 -12.667 1.00 4.00 H new ATOM 284 N GLU A 46 3.707 -13.666 -13.025 1.00 4.02 N ATOM 285 CA GLU A 46 3.939 -15.110 -13.124 1.00 4.87 C ATOM 286 C GLU A 46 4.124 -15.750 -11.748 1.00 5.45 C ATOM 287 O GLU A 46 4.978 -16.622 -11.566 1.00 5.90 O ATOM 288 CB GLU A 46 5.164 -15.385 -14.001 1.00 5.61 C ATOM 289 CG GLU A 46 5.050 -14.806 -15.404 1.00 5.96 C ATOM 290 CD GLU A 46 3.908 -15.410 -16.195 1.00 6.73 C ATOM 291 OE1 GLU A 46 2.778 -14.878 -16.124 1.00 7.09 O ATOM 292 OE2 GLU A 46 4.138 -16.412 -16.901 1.00 7.21 O ATOM 0 H GLU A 46 2.831 -13.360 -13.448 1.00 4.02 H new ATOM 0 HA GLU A 46 3.057 -15.558 -13.581 1.00 4.87 H new ATOM 0 HB2 GLU A 46 6.048 -14.970 -13.516 1.00 5.61 H new ATOM 0 HB3 GLU A 46 5.315 -16.462 -14.072 1.00 5.61 H new ATOM 0 HG2 GLU A 46 4.909 -13.727 -15.337 1.00 5.96 H new ATOM 0 HG3 GLU A 46 5.985 -14.973 -15.939 1.00 5.96 H new ATOM 299 N GLY A 47 3.316 -15.319 -10.785 1.00 5.76 N ATOM 300 CA GLY A 47 3.391 -15.880 -9.450 1.00 6.54 C ATOM 301 C GLY A 47 2.976 -17.338 -9.413 1.00 6.69 C ATOM 302 O GLY A 47 3.760 -18.207 -9.025 1.00 6.97 O ATOM 0 H GLY A 47 2.611 -14.592 -10.906 1.00 5.76 H new ATOM 0 HA2 GLY A 47 4.410 -15.785 -9.076 1.00 6.54 H new ATOM 0 HA3 GLY A 47 2.751 -15.305 -8.781 1.00 6.54 H new ATOM 306 N ASP A 48 1.746 -17.604 -9.822 1.00 6.81 N ATOM 307 CA ASP A 48 1.222 -18.963 -9.841 1.00 7.22 C ATOM 308 C ASP A 48 1.085 -19.459 -11.269 1.00 7.49 C ATOM 309 O ASP A 48 0.883 -18.673 -12.196 1.00 7.74 O ATOM 310 CB ASP A 48 -0.139 -19.035 -9.141 1.00 7.72 C ATOM 311 CG ASP A 48 -1.222 -18.266 -9.877 1.00 8.18 C ATOM 312 OD1 ASP A 48 -2.015 -18.893 -10.609 1.00 8.38 O ATOM 313 OD2 ASP A 48 -1.279 -17.027 -9.729 1.00 8.59 O ATOM 0 H ASP A 48 1.089 -16.895 -10.147 1.00 6.81 H new ATOM 0 HA ASP A 48 1.926 -19.599 -9.305 1.00 7.22 H new ATOM 0 HB2 ASP A 48 -0.440 -20.079 -9.049 1.00 7.72 H new ATOM 0 HB3 ASP A 48 -0.043 -18.640 -8.130 1.00 7.72 H new ATOM 318 N ILE A 49 1.202 -20.762 -11.441 1.00 7.75 N ATOM 319 CA ILE A 49 1.040 -21.373 -12.750 1.00 8.31 C ATOM 320 C ILE A 49 -0.340 -22.028 -12.833 1.00 8.64 C ATOM 321 O ILE A 49 -0.469 -23.221 -13.131 1.00 9.15 O ATOM 322 CB ILE A 49 1.985 -22.277 -12.993 1.00 8.70 C ATOM 323 CG1 ILE A 49 3.356 -21.785 -12.521 1.00 8.59 C ATOM 324 CG2 ILE A 49 2.040 -22.602 -14.487 1.00 9.24 C ATOM 325 CD1 ILE A 49 4.457 -22.811 -12.677 1.00 9.12 C ATOM 0 H ILE A 49 1.409 -21.420 -10.690 1.00 7.75 H new ATOM 0 HA ILE A 49 1.131 -20.591 -13.504 1.00 8.31 H new ATOM 0 HB ILE A 49 1.732 -23.180 -12.437 1.00 8.70 H new ATOM 0 HG12 ILE A 49 3.624 -20.890 -13.082 1.00 8.59 H new ATOM 0 HG13 ILE A 49 3.287 -21.496 -11.472 1.00 8.59 H new ATOM 0 HG21 ILE A 49 2.818 -23.343 -14.670 1.00 9.24 H new ATOM 0 HG22 ILE A 49 1.077 -23.000 -14.809 1.00 9.24 H new ATOM 0 HG23 ILE A 49 2.264 -21.695 -15.049 1.00 9.24 H new ATOM 0 HD11 ILE A 49 5.398 -22.391 -12.322 1.00 9.12 H new ATOM 0 HD12 ILE A 49 4.213 -23.699 -12.093 1.00 9.12 H new ATOM 0 HD13 ILE A 49 4.554 -23.083 -13.728 1.00 9.12 H new ATOM 337 N THR A 50 -1.372 -21.228 -12.536 1.00 8.56 N ATOM 338 CA THR A 50 -2.764 -21.686 -12.525 1.00 9.03 C ATOM 339 C THR A 50 -3.009 -22.642 -11.344 1.00 9.23 C ATOM 340 O THR A 50 -2.066 -23.161 -10.747 1.00 9.50 O ATOM 341 CB THR A 50 -3.091 -22.274 -13.675 1.00 9.31 C ATOM 342 OG1 THR A 50 -2.546 -21.525 -14.772 1.00 9.41 O ATOM 343 CG2 THR A 50 -4.598 -22.380 -13.861 1.00 9.82 C ATOM 0 H THR A 50 -1.263 -20.243 -12.296 1.00 8.56 H new ATOM 0 HA THR A 50 -3.401 -20.810 -12.404 1.00 9.03 H new ATOM 0 HB THR A 50 -2.679 -23.283 -13.649 1.00 9.31 H new ATOM 0 HG1 THR A 50 -2.786 -21.960 -15.617 1.00 9.41 H new ATOM 0 HG21 THR A 50 -4.814 -22.866 -14.812 1.00 9.82 H new ATOM 0 HG22 THR A 50 -5.024 -22.968 -13.048 1.00 9.82 H new ATOM 0 HG23 THR A 50 -5.036 -21.382 -13.856 1.00 9.82 H new ATOM 351 N GLY A 51 -4.267 -22.817 -10.955 1.00 9.30 N ATOM 352 CA GLY A 51 -4.585 -23.755 -9.900 1.00 9.62 C ATOM 353 C GLY A 51 -5.022 -23.067 -8.622 1.00 9.32 C ATOM 354 O GLY A 51 -5.869 -23.582 -7.893 1.00 9.37 O ATOM 0 H GLY A 51 -5.069 -22.327 -11.351 1.00 9.30 H new ATOM 0 HA2 GLY A 51 -5.378 -24.422 -10.239 1.00 9.62 H new ATOM 0 HA3 GLY A 51 -3.712 -24.375 -9.695 1.00 9.62 H new ATOM 358 N ARG A 52 -4.450 -21.900 -8.356 1.00 9.21 N ATOM 359 CA ARG A 52 -4.759 -21.161 -7.139 1.00 9.00 C ATOM 360 C ARG A 52 -5.957 -20.244 -7.358 1.00 8.48 C ATOM 361 O ARG A 52 -6.311 -19.925 -8.496 1.00 8.73 O ATOM 362 CB ARG A 52 -3.546 -20.349 -6.670 1.00 9.54 C ATOM 363 CG ARG A 52 -2.306 -21.194 -6.423 1.00 10.23 C ATOM 364 CD ARG A 52 -1.229 -20.398 -5.703 1.00 10.92 C ATOM 365 NE ARG A 52 -1.605 -20.098 -4.320 1.00 11.43 N ATOM 366 CZ ARG A 52 -1.401 -18.921 -3.726 1.00 12.12 C ATOM 367 NH1 ARG A 52 -0.877 -17.907 -4.407 1.00 12.40 N ATOM 368 NH2 ARG A 52 -1.729 -18.755 -2.446 1.00 12.72 N ATOM 0 H ARG A 52 -3.770 -21.445 -8.966 1.00 9.21 H new ATOM 0 HA ARG A 52 -5.010 -21.882 -6.361 1.00 9.00 H new ATOM 0 HB2 ARG A 52 -3.316 -19.591 -7.418 1.00 9.54 H new ATOM 0 HB3 ARG A 52 -3.805 -19.822 -5.752 1.00 9.54 H new ATOM 0 HG2 ARG A 52 -2.572 -22.069 -5.830 1.00 10.23 H new ATOM 0 HG3 ARG A 52 -1.917 -21.559 -7.373 1.00 10.23 H new ATOM 0 HD2 ARG A 52 -0.295 -20.960 -5.712 1.00 10.92 H new ATOM 0 HD3 ARG A 52 -1.046 -19.467 -6.240 1.00 10.92 H new ATOM 0 HE ARG A 52 -2.052 -20.836 -3.776 1.00 11.43 H new ATOM 0 HH11 ARG A 52 -0.629 -18.026 -5.389 1.00 12.40 H new ATOM 0 HH12 ARG A 52 -0.723 -17.009 -3.948 1.00 12.40 H new ATOM 0 HH21 ARG A 52 -2.136 -19.528 -1.920 1.00 12.72 H new ATOM 0 HH22 ARG A 52 -1.573 -17.855 -1.992 1.00 12.72 H new ATOM 382 N ASP A 53 -6.570 -19.823 -6.260 1.00 7.97 N ATOM 383 CA ASP A 53 -7.765 -18.992 -6.313 1.00 7.57 C ATOM 384 C ASP A 53 -7.391 -17.527 -6.489 1.00 7.11 C ATOM 385 O ASP A 53 -6.441 -17.043 -5.872 1.00 6.96 O ATOM 386 CB ASP A 53 -8.597 -19.164 -5.038 1.00 7.63 C ATOM 387 CG ASP A 53 -9.060 -20.592 -4.827 1.00 7.90 C ATOM 388 OD1 ASP A 53 -8.416 -21.320 -4.041 1.00 8.01 O ATOM 389 OD2 ASP A 53 -10.067 -20.992 -5.447 1.00 8.24 O ATOM 0 H ASP A 53 -6.256 -20.045 -5.315 1.00 7.97 H new ATOM 0 HA ASP A 53 -8.360 -19.310 -7.169 1.00 7.57 H new ATOM 0 HB2 ASP A 53 -8.006 -18.848 -4.178 1.00 7.63 H new ATOM 0 HB3 ASP A 53 -9.466 -18.508 -5.086 1.00 7.63 H new ATOM 394 N PRO A 54 -8.137 -16.802 -7.338 1.00 7.19 N ATOM 395 CA PRO A 54 -7.890 -15.380 -7.603 1.00 7.04 C ATOM 396 C PRO A 54 -8.085 -14.515 -6.361 1.00 6.40 C ATOM 397 O PRO A 54 -7.401 -13.510 -6.178 1.00 6.42 O ATOM 398 CB PRO A 54 -8.932 -15.019 -8.671 1.00 7.72 C ATOM 399 CG PRO A 54 -9.380 -16.322 -9.240 1.00 8.11 C ATOM 400 CD PRO A 54 -9.268 -17.318 -8.125 1.00 7.77 C ATOM 0 HA PRO A 54 -6.862 -15.204 -7.918 1.00 7.04 H new ATOM 0 HB2 PRO A 54 -9.768 -14.472 -8.236 1.00 7.72 H new ATOM 0 HB3 PRO A 54 -8.500 -14.381 -9.442 1.00 7.72 H new ATOM 0 HG2 PRO A 54 -10.405 -16.257 -9.604 1.00 8.11 H new ATOM 0 HG3 PRO A 54 -8.759 -16.613 -10.087 1.00 8.11 H new ATOM 0 HD2 PRO A 54 -10.182 -17.368 -7.534 1.00 7.77 H new ATOM 0 HD3 PRO A 54 -9.075 -18.324 -8.499 1.00 7.77 H new ATOM 408 N LYS A 55 -9.003 -14.928 -5.495 1.00 6.12 N ATOM 409 CA LYS A 55 -9.333 -14.166 -4.293 1.00 5.80 C ATOM 410 C LYS A 55 -8.360 -14.479 -3.154 1.00 5.33 C ATOM 411 O LYS A 55 -8.750 -14.547 -1.988 1.00 5.67 O ATOM 412 CB LYS A 55 -10.769 -14.473 -3.860 1.00 6.46 C ATOM 413 CG LYS A 55 -11.817 -14.057 -4.884 1.00 7.19 C ATOM 414 CD LYS A 55 -13.218 -14.451 -4.444 1.00 8.01 C ATOM 415 CE LYS A 55 -13.613 -13.773 -3.142 1.00 8.64 C ATOM 416 NZ LYS A 55 -14.982 -14.158 -2.713 1.00 9.24 N ATOM 0 H LYS A 55 -9.536 -15.791 -5.603 1.00 6.12 H new ATOM 0 HA LYS A 55 -9.246 -13.105 -4.527 1.00 5.80 H new ATOM 0 HB2 LYS A 55 -10.862 -15.543 -3.671 1.00 6.46 H new ATOM 0 HB3 LYS A 55 -10.972 -13.964 -2.918 1.00 6.46 H new ATOM 0 HG2 LYS A 55 -11.772 -12.978 -5.034 1.00 7.19 H new ATOM 0 HG3 LYS A 55 -11.593 -14.522 -5.844 1.00 7.19 H new ATOM 0 HD2 LYS A 55 -13.932 -14.185 -5.223 1.00 8.01 H new ATOM 0 HD3 LYS A 55 -13.269 -15.533 -4.321 1.00 8.01 H new ATOM 0 HE2 LYS A 55 -12.899 -14.039 -2.362 1.00 8.64 H new ATOM 0 HE3 LYS A 55 -13.561 -12.691 -3.265 1.00 8.64 H new ATOM 0 HZ1 LYS A 55 -15.215 -13.675 -1.822 1.00 9.24 H new ATOM 0 HZ2 LYS A 55 -15.666 -13.881 -3.446 1.00 9.24 H new ATOM 0 HZ3 LYS A 55 -15.025 -15.187 -2.571 1.00 9.24 H new ATOM 430 N GLN A 56 -7.094 -14.649 -3.500 1.00 4.97 N ATOM 431 CA GLN A 56 -6.065 -14.944 -2.514 1.00 4.93 C ATOM 432 C GLN A 56 -4.880 -13.993 -2.688 1.00 4.31 C ATOM 433 O GLN A 56 -3.846 -14.133 -2.034 1.00 4.54 O ATOM 434 CB GLN A 56 -5.608 -16.402 -2.657 1.00 5.58 C ATOM 435 CG GLN A 56 -4.754 -16.902 -1.501 1.00 6.20 C ATOM 436 CD GLN A 56 -5.516 -16.961 -0.189 1.00 6.94 C ATOM 437 OE1 GLN A 56 -4.943 -16.774 0.884 1.00 7.39 O ATOM 438 NE2 GLN A 56 -6.808 -17.238 -0.265 1.00 7.40 N ATOM 0 H GLN A 56 -6.753 -14.588 -4.459 1.00 4.97 H new ATOM 0 HA GLN A 56 -6.478 -14.802 -1.515 1.00 4.93 H new ATOM 0 HB2 GLN A 56 -6.487 -17.040 -2.747 1.00 5.58 H new ATOM 0 HB3 GLN A 56 -5.043 -16.505 -3.583 1.00 5.58 H new ATOM 0 HG2 GLN A 56 -4.373 -17.895 -1.740 1.00 6.20 H new ATOM 0 HG3 GLN A 56 -3.889 -16.248 -1.385 1.00 6.20 H new ATOM 0 HE21 GLN A 56 -7.245 -17.386 -1.175 1.00 7.40 H new ATOM 0 HE22 GLN A 56 -7.367 -17.303 0.586 1.00 7.40 H new ATOM 447 N VAL A 57 -5.048 -13.002 -3.554 1.00 3.91 N ATOM 448 CA VAL A 57 -3.956 -12.100 -3.891 1.00 3.65 C ATOM 449 C VAL A 57 -4.021 -10.797 -3.056 1.00 2.70 C ATOM 450 O VAL A 57 -3.967 -9.670 -3.566 1.00 3.03 O ATOM 451 CB VAL A 57 -3.925 -11.870 -5.208 1.00 4.38 C ATOM 452 CG1 VAL A 57 -5.144 -11.085 -5.699 1.00 5.06 C ATOM 453 CG2 VAL A 57 -2.621 -11.207 -5.628 1.00 4.94 C ATOM 0 H VAL A 57 -5.926 -12.803 -4.034 1.00 3.91 H new ATOM 0 HA VAL A 57 -3.014 -12.582 -3.629 1.00 3.65 H new ATOM 0 HB VAL A 57 -3.972 -12.844 -5.695 1.00 4.38 H new ATOM 0 HG11 VAL A 57 -5.066 -10.927 -6.775 1.00 5.06 H new ATOM 0 HG12 VAL A 57 -6.051 -11.648 -5.480 1.00 5.06 H new ATOM 0 HG13 VAL A 57 -5.184 -10.121 -5.193 1.00 5.06 H new ATOM 0 HG21 VAL A 57 -2.630 -11.035 -6.704 1.00 4.94 H new ATOM 0 HG22 VAL A 57 -2.514 -10.254 -5.109 1.00 4.94 H new ATOM 0 HG23 VAL A 57 -1.784 -11.856 -5.372 1.00 4.94 H new ATOM 463 N ILE A 58 -4.123 -10.971 -1.742 1.00 2.02 N ATOM 464 CA ILE A 58 -4.163 -9.856 -0.815 1.00 1.38 C ATOM 465 C ILE A 58 -3.094 -10.035 0.247 1.00 1.46 C ATOM 466 O ILE A 58 -2.597 -11.142 0.468 1.00 1.83 O ATOM 467 CB ILE A 58 -5.348 -9.690 -0.214 1.00 1.94 C ATOM 468 CG1 ILE A 58 -5.760 -10.911 0.639 1.00 2.47 C ATOM 469 CG2 ILE A 58 -6.424 -9.349 -1.242 1.00 2.66 C ATOM 470 CD1 ILE A 58 -6.496 -12.010 -0.113 1.00 3.17 C ATOM 0 H ILE A 58 -4.180 -11.886 -1.296 1.00 2.02 H new ATOM 0 HA ILE A 58 -3.984 -8.962 -1.412 1.00 1.38 H new ATOM 0 HB ILE A 58 -5.243 -8.853 0.477 1.00 1.94 H new ATOM 0 HG12 ILE A 58 -4.864 -11.338 1.089 1.00 2.47 H new ATOM 0 HG13 ILE A 58 -6.393 -10.566 1.456 1.00 2.47 H new ATOM 0 HG21 ILE A 58 -7.381 -9.217 -0.737 1.00 2.66 H new ATOM 0 HG22 ILE A 58 -6.156 -8.427 -1.757 1.00 2.66 H new ATOM 0 HG23 ILE A 58 -6.505 -10.159 -1.967 1.00 2.66 H new ATOM 0 HD11 ILE A 58 -6.740 -12.820 0.574 1.00 3.17 H new ATOM 0 HD12 ILE A 58 -7.414 -11.607 -0.540 1.00 3.17 H new ATOM 0 HD13 ILE A 58 -5.861 -12.391 -0.913 1.00 3.17 H new ATOM 482 N GLY A 59 -2.697 -8.934 0.843 1.00 1.92 N ATOM 483 CA GLY A 59 -1.743 -8.978 1.933 1.00 2.81 C ATOM 484 C GLY A 59 -2.378 -8.610 3.254 1.00 2.70 C ATOM 485 O GLY A 59 -1.892 -8.987 4.319 1.00 3.24 O ATOM 0 H GLY A 59 -3.017 -7.998 0.594 1.00 1.92 H new ATOM 0 HA2 GLY A 59 -1.316 -9.979 2.002 1.00 2.81 H new ATOM 0 HA3 GLY A 59 -0.920 -8.295 1.723 1.00 2.81 H new ATOM 489 N LYS A 60 -3.467 -7.862 3.183 1.00 2.08 N ATOM 490 CA LYS A 60 -4.190 -7.447 4.360 1.00 2.08 C ATOM 491 C LYS A 60 -5.605 -8.006 4.326 1.00 2.02 C ATOM 492 O LYS A 60 -6.339 -7.774 3.369 1.00 1.74 O ATOM 493 CB LYS A 60 -4.236 -5.922 4.400 1.00 1.96 C ATOM 494 CG LYS A 60 -5.052 -5.343 5.550 1.00 2.22 C ATOM 495 CD LYS A 60 -4.264 -5.299 6.854 1.00 2.80 C ATOM 496 CE LYS A 60 -3.955 -6.685 7.400 1.00 3.43 C ATOM 497 NZ LYS A 60 -2.977 -6.639 8.519 1.00 3.85 N ATOM 0 H LYS A 60 -3.869 -7.529 2.307 1.00 2.08 H new ATOM 0 HA LYS A 60 -3.687 -7.824 5.250 1.00 2.08 H new ATOM 0 HB2 LYS A 60 -3.217 -5.542 4.468 1.00 1.96 H new ATOM 0 HB3 LYS A 60 -4.650 -5.559 3.459 1.00 1.96 H new ATOM 0 HG2 LYS A 60 -5.377 -4.336 5.291 1.00 2.22 H new ATOM 0 HG3 LYS A 60 -5.952 -5.942 5.692 1.00 2.22 H new ATOM 0 HD2 LYS A 60 -3.330 -4.760 6.692 1.00 2.80 H new ATOM 0 HD3 LYS A 60 -4.830 -4.738 7.597 1.00 2.80 H new ATOM 0 HE2 LYS A 60 -4.877 -7.153 7.744 1.00 3.43 H new ATOM 0 HE3 LYS A 60 -3.560 -7.310 6.599 1.00 3.43 H new ATOM 0 HZ1 LYS A 60 -2.141 -7.206 8.273 1.00 3.85 H new ATOM 0 HZ2 LYS A 60 -2.689 -5.654 8.689 1.00 3.85 H new ATOM 0 HZ3 LYS A 60 -3.416 -7.025 9.380 1.00 3.85 H new ATOM 511 N ASN A 61 -5.971 -8.754 5.357 1.00 2.50 N ATOM 512 CA ASN A 61 -7.332 -9.254 5.488 1.00 2.76 C ATOM 513 C ASN A 61 -7.801 -9.117 6.930 1.00 3.11 C ATOM 514 O ASN A 61 -7.485 -9.948 7.781 1.00 3.53 O ATOM 515 CB ASN A 61 -7.429 -10.720 5.042 1.00 3.24 C ATOM 516 CG ASN A 61 -8.866 -11.211 4.967 1.00 3.68 C ATOM 517 OD1 ASN A 61 -9.512 -11.119 3.923 1.00 4.05 O ATOM 518 ND2 ASN A 61 -9.372 -11.745 6.069 1.00 4.18 N ATOM 0 H ASN A 61 -5.345 -9.028 6.114 1.00 2.50 H new ATOM 0 HA ASN A 61 -7.976 -8.658 4.841 1.00 2.76 H new ATOM 0 HB2 ASN A 61 -6.959 -10.831 4.065 1.00 3.24 H new ATOM 0 HB3 ASN A 61 -6.870 -11.346 5.738 1.00 3.24 H new ATOM 0 HD21 ASN A 61 -10.329 -12.098 6.072 1.00 4.18 H new ATOM 0 HD22 ASN A 61 -8.804 -11.803 6.915 1.00 4.18 H new ATOM 525 N PHE A 62 -8.516 -8.039 7.203 1.00 3.09 N ATOM 526 CA PHE A 62 -9.119 -7.824 8.506 1.00 3.55 C ATOM 527 C PHE A 62 -10.542 -7.310 8.359 1.00 4.05 C ATOM 528 O PHE A 62 -10.813 -6.424 7.550 1.00 4.38 O ATOM 529 CB PHE A 62 -8.303 -6.833 9.342 1.00 4.05 C ATOM 530 CG PHE A 62 -7.280 -7.485 10.228 1.00 4.80 C ATOM 531 CD1 PHE A 62 -5.961 -7.054 10.217 1.00 5.37 C ATOM 532 CD2 PHE A 62 -7.628 -8.535 11.056 1.00 5.28 C ATOM 533 CE1 PHE A 62 -5.013 -7.658 11.020 1.00 6.27 C ATOM 534 CE2 PHE A 62 -6.685 -9.143 11.863 1.00 6.21 C ATOM 535 CZ PHE A 62 -5.399 -8.676 11.892 1.00 6.66 C ATOM 0 H PHE A 62 -8.694 -7.292 6.531 1.00 3.09 H new ATOM 0 HA PHE A 62 -9.133 -8.785 9.021 1.00 3.55 H new ATOM 0 HB2 PHE A 62 -7.799 -6.136 8.672 1.00 4.05 H new ATOM 0 HB3 PHE A 62 -8.983 -6.246 9.959 1.00 4.05 H new ATOM 0 HD1 PHE A 62 -5.672 -6.237 9.573 1.00 5.37 H new ATOM 0 HD2 PHE A 62 -8.650 -8.885 11.073 1.00 5.28 H new ATOM 0 HE1 PHE A 62 -3.981 -7.344 10.973 1.00 6.27 H new ATOM 0 HE2 PHE A 62 -6.964 -9.990 12.473 1.00 6.21 H new ATOM 0 HZ PHE A 62 -4.686 -9.094 12.587 1.00 6.66 H new ATOM 545 N PHE A 63 -11.451 -7.888 9.127 1.00 4.57 N ATOM 546 CA PHE A 63 -12.819 -7.400 9.189 1.00 5.42 C ATOM 547 C PHE A 63 -12.909 -6.268 10.205 1.00 5.92 C ATOM 548 O PHE A 63 -13.864 -5.492 10.218 1.00 6.42 O ATOM 549 CB PHE A 63 -13.777 -8.537 9.569 1.00 6.08 C ATOM 550 CG PHE A 63 -13.412 -9.240 10.850 1.00 6.58 C ATOM 551 CD1 PHE A 63 -13.957 -8.839 12.059 1.00 7.21 C ATOM 552 CD2 PHE A 63 -12.519 -10.300 10.844 1.00 6.73 C ATOM 553 CE1 PHE A 63 -13.619 -9.480 13.237 1.00 7.98 C ATOM 554 CE2 PHE A 63 -12.177 -10.944 12.016 1.00 7.51 C ATOM 555 CZ PHE A 63 -12.726 -10.533 13.214 1.00 8.13 C ATOM 0 H PHE A 63 -11.265 -8.698 9.718 1.00 4.57 H new ATOM 0 HA PHE A 63 -13.109 -7.024 8.208 1.00 5.42 H new ATOM 0 HB2 PHE A 63 -14.785 -8.134 9.662 1.00 6.08 H new ATOM 0 HB3 PHE A 63 -13.799 -9.266 8.759 1.00 6.08 H new ATOM 0 HD1 PHE A 63 -14.655 -8.015 12.082 1.00 7.21 H new ATOM 0 HD2 PHE A 63 -12.085 -10.626 9.910 1.00 6.73 H new ATOM 0 HE1 PHE A 63 -14.052 -9.158 14.172 1.00 7.98 H new ATOM 0 HE2 PHE A 63 -11.480 -11.769 11.996 1.00 7.51 H new ATOM 0 HZ PHE A 63 -12.457 -11.034 14.132 1.00 8.13 H new ATOM 565 N LYS A 64 -11.896 -6.190 11.054 1.00 6.06 N ATOM 566 CA LYS A 64 -11.826 -5.175 12.086 1.00 6.71 C ATOM 567 C LYS A 64 -10.364 -4.888 12.405 1.00 6.68 C ATOM 568 O LYS A 64 -9.590 -5.810 12.654 1.00 6.92 O ATOM 569 CB LYS A 64 -12.564 -5.654 13.342 1.00 7.46 C ATOM 570 CG LYS A 64 -12.798 -4.578 14.396 1.00 8.15 C ATOM 571 CD LYS A 64 -13.726 -3.480 13.896 1.00 8.91 C ATOM 572 CE LYS A 64 -12.954 -2.306 13.320 1.00 9.51 C ATOM 573 NZ LYS A 64 -12.204 -1.568 14.372 1.00 10.05 N ATOM 0 H LYS A 64 -11.101 -6.829 11.045 1.00 6.06 H new ATOM 0 HA LYS A 64 -12.303 -4.260 11.735 1.00 6.71 H new ATOM 0 HB2 LYS A 64 -13.528 -6.067 13.045 1.00 7.46 H new ATOM 0 HB3 LYS A 64 -11.995 -6.467 13.793 1.00 7.46 H new ATOM 0 HG2 LYS A 64 -13.224 -5.033 15.290 1.00 8.15 H new ATOM 0 HG3 LYS A 64 -11.842 -4.141 14.686 1.00 8.15 H new ATOM 0 HD2 LYS A 64 -14.392 -3.886 13.134 1.00 8.91 H new ATOM 0 HD3 LYS A 64 -14.354 -3.134 14.717 1.00 8.91 H new ATOM 0 HE2 LYS A 64 -12.258 -2.665 12.562 1.00 9.51 H new ATOM 0 HE3 LYS A 64 -13.645 -1.626 12.822 1.00 9.51 H new ATOM 0 HZ1 LYS A 64 -11.246 -1.352 14.029 1.00 10.05 H new ATOM 0 HZ2 LYS A 64 -12.700 -0.681 14.594 1.00 10.05 H new ATOM 0 HZ3 LYS A 64 -12.141 -2.154 15.229 1.00 10.05 H new ATOM 587 N ASP A 65 -9.983 -3.617 12.368 1.00 6.69 N ATOM 588 CA ASP A 65 -8.608 -3.219 12.665 1.00 6.98 C ATOM 589 C ASP A 65 -8.327 -3.333 14.156 1.00 7.54 C ATOM 590 O ASP A 65 -9.254 -3.381 14.970 1.00 7.94 O ATOM 591 CB ASP A 65 -8.351 -1.777 12.211 1.00 7.04 C ATOM 592 CG ASP A 65 -9.025 -0.748 13.105 1.00 7.56 C ATOM 593 OD1 ASP A 65 -8.356 -0.212 14.016 1.00 7.91 O ATOM 594 OD2 ASP A 65 -10.229 -0.472 12.905 1.00 7.87 O ATOM 0 H ASP A 65 -10.605 -2.843 12.136 1.00 6.69 H new ATOM 0 HA ASP A 65 -7.943 -3.890 12.121 1.00 6.98 H new ATOM 0 HB2 ASP A 65 -7.277 -1.591 12.197 1.00 7.04 H new ATOM 0 HB3 ASP A 65 -8.709 -1.654 11.189 1.00 7.04 H new ATOM 599 N VAL A 66 -7.049 -3.388 14.508 1.00 7.81 N ATOM 600 CA VAL A 66 -6.643 -3.367 15.901 1.00 8.51 C ATOM 601 C VAL A 66 -5.220 -2.804 16.055 1.00 8.76 C ATOM 602 O VAL A 66 -5.052 -1.749 16.669 1.00 9.29 O ATOM 603 CB VAL A 66 -6.790 -4.564 16.492 1.00 8.83 C ATOM 604 CG1 VAL A 66 -6.127 -5.699 15.709 1.00 9.35 C ATOM 605 CG2 VAL A 66 -6.304 -4.533 17.936 1.00 8.99 C ATOM 0 H VAL A 66 -6.277 -3.448 13.844 1.00 7.81 H new ATOM 0 HA VAL A 66 -7.315 -2.690 16.428 1.00 8.51 H new ATOM 0 HB VAL A 66 -7.859 -4.775 16.497 1.00 8.83 H new ATOM 0 HG11 VAL A 66 -6.279 -6.641 16.235 1.00 9.35 H new ATOM 0 HG12 VAL A 66 -6.570 -5.763 14.715 1.00 9.35 H new ATOM 0 HG13 VAL A 66 -5.059 -5.503 15.618 1.00 9.35 H new ATOM 0 HG21 VAL A 66 -6.437 -5.517 18.386 1.00 8.99 H new ATOM 0 HG22 VAL A 66 -5.248 -4.263 17.959 1.00 8.99 H new ATOM 0 HG23 VAL A 66 -6.879 -3.797 18.498 1.00 8.99 H new ATOM 615 N ALA A 67 -4.223 -3.461 15.441 1.00 8.55 N ATOM 616 CA ALA A 67 -2.813 -3.067 15.554 1.00 8.92 C ATOM 617 C ALA A 67 -2.458 -2.627 16.976 1.00 9.09 C ATOM 618 O ALA A 67 -2.226 -1.444 17.231 1.00 9.14 O ATOM 619 CB ALA A 67 -2.479 -1.972 14.551 1.00 9.16 C ATOM 0 H ALA A 67 -4.374 -4.280 14.852 1.00 8.55 H new ATOM 0 HA ALA A 67 -2.209 -3.944 15.324 1.00 8.92 H new ATOM 0 HB1 ALA A 67 -1.430 -1.694 14.651 1.00 9.16 H new ATOM 0 HB2 ALA A 67 -2.663 -2.336 13.540 1.00 9.16 H new ATOM 0 HB3 ALA A 67 -3.105 -1.100 14.742 1.00 9.16 H new ATOM 625 N PRO A 68 -2.422 -3.576 17.923 1.00 9.42 N ATOM 626 CA PRO A 68 -2.243 -3.256 19.336 1.00 9.81 C ATOM 627 C PRO A 68 -0.790 -2.970 19.709 1.00 10.00 C ATOM 628 O PRO A 68 -0.516 -2.120 20.554 1.00 10.26 O ATOM 629 CB PRO A 68 -2.741 -4.520 20.037 1.00 10.35 C ATOM 630 CG PRO A 68 -2.465 -5.627 19.075 1.00 10.29 C ATOM 631 CD PRO A 68 -2.561 -5.030 17.694 1.00 9.70 C ATOM 0 HA PRO A 68 -2.775 -2.347 19.617 1.00 9.81 H new ATOM 0 HB2 PRO A 68 -2.221 -4.679 20.982 1.00 10.35 H new ATOM 0 HB3 PRO A 68 -3.804 -4.452 20.266 1.00 10.35 H new ATOM 0 HG2 PRO A 68 -1.476 -6.051 19.246 1.00 10.29 H new ATOM 0 HG3 PRO A 68 -3.185 -6.436 19.198 1.00 10.29 H new ATOM 0 HD2 PRO A 68 -1.775 -5.408 17.040 1.00 9.70 H new ATOM 0 HD3 PRO A 68 -3.513 -5.270 17.220 1.00 9.70 H new ATOM 639 N CYS A 69 0.133 -3.673 19.072 1.00 10.09 N ATOM 640 CA CYS A 69 1.541 -3.597 19.447 1.00 10.43 C ATOM 641 C CYS A 69 2.391 -2.992 18.336 1.00 10.35 C ATOM 642 O CYS A 69 3.603 -2.846 18.486 1.00 10.58 O ATOM 643 CB CYS A 69 2.061 -4.997 19.760 1.00 10.98 C ATOM 644 SG CYS A 69 1.102 -5.891 21.025 1.00 11.49 S ATOM 0 H CYS A 69 -0.064 -4.302 18.294 1.00 10.09 H new ATOM 0 HA CYS A 69 1.616 -2.954 20.324 1.00 10.43 H new ATOM 0 HB2 CYS A 69 2.064 -5.584 18.842 1.00 10.98 H new ATOM 0 HB3 CYS A 69 3.096 -4.921 20.093 1.00 10.98 H new ATOM 649 N THR A 70 1.766 -2.646 17.223 1.00 10.23 N ATOM 650 CA THR A 70 2.516 -2.216 16.055 1.00 10.31 C ATOM 651 C THR A 70 1.882 -0.987 15.405 1.00 10.28 C ATOM 652 O THR A 70 0.675 -0.762 15.526 1.00 10.36 O ATOM 653 CB THR A 70 2.588 -3.197 15.162 1.00 10.47 C ATOM 654 OG1 THR A 70 2.891 -4.437 15.825 1.00 10.95 O ATOM 655 CG2 THR A 70 3.645 -2.930 14.100 1.00 10.51 C ATOM 0 H THR A 70 0.753 -2.654 17.104 1.00 10.23 H new ATOM 0 HA THR A 70 3.519 -1.953 16.391 1.00 10.31 H new ATOM 0 HB THR A 70 1.619 -3.256 14.666 1.00 10.47 H new ATOM 0 HG1 THR A 70 2.942 -5.158 15.163 1.00 10.95 H new ATOM 0 HG21 THR A 70 3.667 -3.759 13.392 1.00 10.51 H new ATOM 0 HG22 THR A 70 3.405 -2.008 13.571 1.00 10.51 H new ATOM 0 HG23 THR A 70 4.621 -2.832 14.575 1.00 10.51 H new ATOM 663 N ASP A 71 2.717 -0.160 14.786 1.00 10.38 N ATOM 664 CA ASP A 71 2.260 0.936 13.947 1.00 10.55 C ATOM 665 C ASP A 71 3.127 0.969 12.702 1.00 10.46 C ATOM 666 O ASP A 71 4.246 0.450 12.715 1.00 10.82 O ATOM 667 CB ASP A 71 2.325 2.289 14.674 1.00 11.00 C ATOM 668 CG ASP A 71 3.739 2.816 14.839 1.00 11.33 C ATOM 669 OD1 ASP A 71 4.332 2.614 15.921 1.00 11.56 O ATOM 670 OD2 ASP A 71 4.261 3.454 13.895 1.00 11.54 O ATOM 0 H ASP A 71 3.732 -0.233 14.854 1.00 10.38 H new ATOM 0 HA ASP A 71 1.214 0.769 13.688 1.00 10.55 H new ATOM 0 HB2 ASP A 71 1.735 3.019 14.120 1.00 11.00 H new ATOM 0 HB3 ASP A 71 1.866 2.187 15.657 1.00 11.00 H new ATOM 675 N SER A 72 2.611 1.564 11.633 1.00 10.16 N ATOM 676 CA SER A 72 3.302 1.588 10.345 1.00 10.18 C ATOM 677 C SER A 72 3.654 0.165 9.901 1.00 9.81 C ATOM 678 O SER A 72 4.830 -0.163 9.720 1.00 9.67 O ATOM 679 CB SER A 72 4.574 2.435 10.444 1.00 10.51 C ATOM 680 OG SER A 72 4.320 3.658 11.114 1.00 10.96 O ATOM 0 H SER A 72 1.709 2.040 11.631 1.00 10.16 H new ATOM 0 HA SER A 72 2.638 2.032 9.604 1.00 10.18 H new ATOM 0 HB2 SER A 72 5.345 1.878 10.976 1.00 10.51 H new ATOM 0 HB3 SER A 72 4.959 2.637 9.445 1.00 10.51 H new ATOM 0 HG SER A 72 4.313 3.505 12.082 1.00 10.96 H new ATOM 686 N PRO A 73 2.635 -0.706 9.727 1.00 9.90 N ATOM 687 CA PRO A 73 2.852 -2.124 9.432 1.00 9.80 C ATOM 688 C PRO A 73 3.459 -2.342 8.051 1.00 9.46 C ATOM 689 O PRO A 73 4.647 -2.645 7.921 1.00 9.61 O ATOM 690 CB PRO A 73 1.444 -2.742 9.505 1.00 10.31 C ATOM 691 CG PRO A 73 0.580 -1.701 10.136 1.00 10.68 C ATOM 692 CD PRO A 73 1.199 -0.382 9.783 1.00 10.39 C ATOM 0 HA PRO A 73 3.558 -2.574 10.130 1.00 9.80 H new ATOM 0 HB2 PRO A 73 1.079 -3.005 8.512 1.00 10.31 H new ATOM 0 HB3 PRO A 73 1.448 -3.658 10.095 1.00 10.31 H new ATOM 0 HG2 PRO A 73 -0.443 -1.764 9.764 1.00 10.68 H new ATOM 0 HG3 PRO A 73 0.535 -1.834 11.217 1.00 10.68 H new ATOM 0 HD2 PRO A 73 0.831 -0.004 8.829 1.00 10.39 H new ATOM 0 HD3 PRO A 73 0.984 0.380 10.532 1.00 10.39 H new ATOM 700 N GLU A 74 2.647 -2.169 7.020 1.00 9.22 N ATOM 701 CA GLU A 74 3.106 -2.360 5.655 1.00 9.06 C ATOM 702 C GLU A 74 2.646 -1.198 4.780 1.00 8.23 C ATOM 703 O GLU A 74 1.550 -1.225 4.227 1.00 8.21 O ATOM 704 CB GLU A 74 2.605 -3.704 5.096 1.00 9.74 C ATOM 705 CG GLU A 74 2.924 -4.891 6.000 1.00 10.53 C ATOM 706 CD GLU A 74 2.613 -6.239 5.375 1.00 11.29 C ATOM 707 OE1 GLU A 74 3.555 -7.020 5.119 1.00 11.57 O ATOM 708 OE2 GLU A 74 1.420 -6.509 5.102 1.00 11.76 O ATOM 0 H GLU A 74 1.668 -1.897 7.103 1.00 9.22 H new ATOM 0 HA GLU A 74 4.196 -2.383 5.652 1.00 9.06 H new ATOM 0 HB2 GLU A 74 1.527 -3.649 4.948 1.00 9.74 H new ATOM 0 HB3 GLU A 74 3.053 -3.872 4.116 1.00 9.74 H new ATOM 0 HG2 GLU A 74 3.981 -4.859 6.266 1.00 10.53 H new ATOM 0 HG3 GLU A 74 2.359 -4.792 6.927 1.00 10.53 H new ATOM 715 N PHE A 75 3.488 -0.165 4.710 1.00 7.77 N ATOM 716 CA PHE A 75 3.242 1.025 3.884 1.00 7.11 C ATOM 717 C PHE A 75 2.071 1.867 4.397 1.00 6.04 C ATOM 718 O PHE A 75 0.905 1.590 4.124 1.00 6.09 O ATOM 719 CB PHE A 75 3.033 0.653 2.411 1.00 7.64 C ATOM 720 CG PHE A 75 4.289 0.180 1.738 1.00 8.33 C ATOM 721 CD1 PHE A 75 4.545 -1.173 1.586 1.00 8.82 C ATOM 722 CD2 PHE A 75 5.217 1.092 1.261 1.00 8.70 C ATOM 723 CE1 PHE A 75 5.704 -1.609 0.971 1.00 9.64 C ATOM 724 CE2 PHE A 75 6.377 0.664 0.645 1.00 9.54 C ATOM 725 CZ PHE A 75 6.621 -0.689 0.499 1.00 10.00 C ATOM 0 H PHE A 75 4.366 -0.128 5.227 1.00 7.77 H new ATOM 0 HA PHE A 75 4.139 1.639 3.961 1.00 7.11 H new ATOM 0 HB2 PHE A 75 2.276 -0.128 2.344 1.00 7.64 H new ATOM 0 HB3 PHE A 75 2.645 1.519 1.875 1.00 7.64 H new ATOM 0 HD1 PHE A 75 3.831 -1.896 1.952 1.00 8.82 H new ATOM 0 HD2 PHE A 75 5.031 2.150 1.372 1.00 8.70 H new ATOM 0 HE1 PHE A 75 5.892 -2.667 0.860 1.00 9.64 H new ATOM 0 HE2 PHE A 75 7.092 1.385 0.278 1.00 9.54 H new ATOM 0 HZ PHE A 75 7.527 -1.026 0.017 1.00 10.00 H new ATOM 735 N TYR A 76 2.405 2.904 5.150 1.00 5.40 N ATOM 736 CA TYR A 76 1.422 3.865 5.628 1.00 4.59 C ATOM 737 C TYR A 76 1.788 5.256 5.115 1.00 3.79 C ATOM 738 O TYR A 76 2.825 5.800 5.499 1.00 3.92 O ATOM 739 CB TYR A 76 1.377 3.855 7.168 1.00 4.75 C ATOM 740 CG TYR A 76 0.385 4.828 7.777 1.00 5.22 C ATOM 741 CD1 TYR A 76 0.723 6.160 7.983 1.00 5.71 C ATOM 742 CD2 TYR A 76 -0.894 4.417 8.137 1.00 5.53 C ATOM 743 CE1 TYR A 76 -0.182 7.051 8.534 1.00 6.42 C ATOM 744 CE2 TYR A 76 -1.801 5.300 8.689 1.00 6.25 C ATOM 745 CZ TYR A 76 -1.429 6.612 8.909 1.00 6.65 C ATOM 746 OH TYR A 76 -2.344 7.493 9.441 1.00 7.53 O ATOM 0 H TYR A 76 3.361 3.103 5.446 1.00 5.40 H new ATOM 0 HA TYR A 76 0.435 3.593 5.254 1.00 4.59 H new ATOM 0 HB2 TYR A 76 1.131 2.848 7.505 1.00 4.75 H new ATOM 0 HB3 TYR A 76 2.372 4.085 7.549 1.00 4.75 H new ATOM 0 HD1 TYR A 76 1.709 6.506 7.709 1.00 5.71 H new ATOM 0 HD2 TYR A 76 -1.183 3.388 7.982 1.00 5.53 H new ATOM 0 HE1 TYR A 76 0.091 8.087 8.669 1.00 6.42 H new ATOM 0 HE2 TYR A 76 -2.795 4.967 8.947 1.00 6.25 H new ATOM 0 HH TYR A 76 -2.190 8.388 9.072 1.00 7.53 H new ATOM 756 N GLY A 77 0.956 5.834 4.251 1.00 3.20 N ATOM 757 CA GLY A 77 1.271 7.138 3.709 1.00 2.71 C ATOM 758 C GLY A 77 0.127 8.099 3.885 1.00 1.94 C ATOM 759 O GLY A 77 -0.613 8.363 2.938 1.00 2.44 O ATOM 0 H GLY A 77 0.081 5.426 3.922 1.00 3.20 H new ATOM 0 HA2 GLY A 77 2.159 7.533 4.202 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.510 7.045 2.650 1.00 2.71 H new ATOM 763 N LYS A 78 -0.030 8.603 5.112 1.00 1.39 N ATOM 764 CA LYS A 78 -1.131 9.507 5.444 1.00 1.29 C ATOM 765 C LYS A 78 -2.458 8.790 5.193 1.00 1.03 C ATOM 766 O LYS A 78 -3.455 9.395 4.813 1.00 1.02 O ATOM 767 CB LYS A 78 -1.025 10.782 4.593 1.00 2.10 C ATOM 768 CG LYS A 78 -1.767 11.984 5.154 1.00 2.61 C ATOM 769 CD LYS A 78 -1.607 13.191 4.247 1.00 3.18 C ATOM 770 CE LYS A 78 -2.149 14.452 4.894 1.00 3.78 C ATOM 771 NZ LYS A 78 -1.397 14.814 6.126 1.00 4.14 N ATOM 0 H LYS A 78 0.594 8.399 5.893 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.080 9.793 6.495 1.00 1.29 H new ATOM 0 HB2 LYS A 78 0.028 11.042 4.482 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -1.408 10.569 3.595 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -2.825 11.745 5.264 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -1.388 12.219 6.149 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -0.553 13.329 4.007 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -2.128 13.011 3.306 1.00 3.18 H new ATOM 0 HE2 LYS A 78 -2.097 15.276 4.182 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -3.201 14.310 5.140 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 -1.134 15.820 6.090 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -1.994 14.642 6.960 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 -0.536 14.234 6.191 1.00 4.14 H new ATOM 785 N PHE A 79 -2.451 7.482 5.448 1.00 0.95 N ATOM 786 CA PHE A 79 -3.540 6.600 5.046 1.00 0.77 C ATOM 787 C PHE A 79 -4.855 6.960 5.734 1.00 0.70 C ATOM 788 O PHE A 79 -5.919 6.958 5.083 1.00 0.64 O ATOM 789 CB PHE A 79 -3.171 5.146 5.350 1.00 0.88 C ATOM 790 CG PHE A 79 -3.976 4.149 4.569 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.158 3.650 5.089 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.553 3.706 3.325 1.00 0.78 C ATOM 793 CE1 PHE A 79 -5.903 2.728 4.387 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.298 2.782 2.616 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.455 2.315 3.102 1.00 0.82 C ATOM 0 H PHE A 79 -1.692 7.008 5.937 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.687 6.727 3.973 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.113 4.995 5.135 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.310 4.959 6.415 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.500 3.987 6.056 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -2.633 4.086 2.906 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.813 2.325 4.806 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -3.942 2.432 1.658 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.047 1.625 2.519 1.00 0.82 H new ATOM 805 N LYS A 80 -4.777 7.286 7.037 1.00 0.82 N ATOM 806 CA LYS A 80 -5.976 7.567 7.821 1.00 0.89 C ATOM 807 C LYS A 80 -6.694 8.798 7.271 1.00 0.81 C ATOM 808 O LYS A 80 -7.924 8.870 7.273 1.00 0.87 O ATOM 809 CB LYS A 80 -5.615 7.765 9.296 1.00 1.12 C ATOM 810 CG LYS A 80 -6.819 7.881 10.219 1.00 1.66 C ATOM 811 CD LYS A 80 -7.702 6.645 10.142 1.00 2.17 C ATOM 812 CE LYS A 80 -8.832 6.702 11.158 1.00 2.87 C ATOM 813 NZ LYS A 80 -8.330 6.631 12.555 1.00 3.48 N ATOM 0 H LYS A 80 -3.903 7.359 7.558 1.00 0.82 H new ATOM 0 HA LYS A 80 -6.650 6.714 7.745 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -4.998 6.928 9.624 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -5.008 8.665 9.393 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -6.480 8.024 11.245 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -7.401 8.763 9.950 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -8.118 6.556 9.138 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -7.099 5.754 10.317 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -9.395 7.625 11.022 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -9.522 5.878 10.979 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -9.120 6.418 13.197 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -7.612 5.882 12.628 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -7.906 7.543 12.818 1.00 3.48 H new ATOM 827 N GLU A 81 -5.921 9.758 6.781 1.00 0.78 N ATOM 828 CA GLU A 81 -6.491 10.937 6.151 1.00 0.78 C ATOM 829 C GLU A 81 -6.821 10.640 4.703 1.00 0.62 C ATOM 830 O GLU A 81 -7.777 11.170 4.157 1.00 0.64 O ATOM 831 CB GLU A 81 -5.534 12.122 6.229 1.00 0.96 C ATOM 832 CG GLU A 81 -5.474 12.776 7.597 1.00 1.53 C ATOM 833 CD GLU A 81 -4.540 13.965 7.619 1.00 2.31 C ATOM 834 OE1 GLU A 81 -4.689 14.858 6.761 1.00 3.07 O ATOM 835 OE2 GLU A 81 -3.666 14.020 8.504 1.00 2.63 O ATOM 0 H GLU A 81 -4.901 9.742 6.808 1.00 0.78 H new ATOM 0 HA GLU A 81 -7.403 11.199 6.687 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -4.534 11.787 5.953 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -5.835 12.868 5.493 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.474 13.096 7.890 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -5.145 12.044 8.334 1.00 1.53 H new ATOM 842 N GLY A 82 -6.033 9.764 4.103 1.00 0.55 N ATOM 843 CA GLY A 82 -6.199 9.403 2.723 1.00 0.47 C ATOM 844 C GLY A 82 -7.574 8.850 2.442 1.00 0.46 C ATOM 845 O GLY A 82 -8.198 9.159 1.425 1.00 0.49 O ATOM 0 H GLY A 82 -5.261 9.287 4.569 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.026 10.278 2.097 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.448 8.662 2.450 1.00 0.47 H new ATOM 849 N VAL A 83 -8.039 8.033 3.367 1.00 0.51 N ATOM 850 CA VAL A 83 -9.346 7.409 3.265 1.00 0.61 C ATOM 851 C VAL A 83 -10.456 8.440 3.435 1.00 0.70 C ATOM 852 O VAL A 83 -11.338 8.561 2.584 1.00 0.79 O ATOM 853 CB VAL A 83 -9.487 6.472 4.187 1.00 0.70 C ATOM 854 CG1 VAL A 83 -10.867 5.823 4.105 1.00 0.85 C ATOM 855 CG2 VAL A 83 -8.400 5.419 4.066 1.00 0.69 C ATOM 0 H VAL A 83 -7.523 7.783 4.210 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.420 6.961 2.274 1.00 0.61 H new ATOM 0 HB VAL A 83 -9.392 6.952 5.161 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -10.955 5.056 4.875 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -11.635 6.581 4.258 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -10.997 5.368 3.123 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -8.540 4.661 4.836 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -8.454 4.952 3.083 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -7.424 5.888 4.192 1.00 0.69 H new ATOM 865 N ALA A 84 -10.364 9.222 4.504 1.00 0.76 N ATOM 866 CA ALA A 84 -11.453 10.102 4.906 1.00 0.94 C ATOM 867 C ALA A 84 -11.468 11.383 4.093 1.00 0.88 C ATOM 868 O ALA A 84 -12.497 12.054 3.998 1.00 1.07 O ATOM 869 CB ALA A 84 -11.368 10.412 6.394 1.00 1.12 C ATOM 0 H ALA A 84 -9.544 9.264 5.109 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.389 9.579 4.711 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.190 11.071 6.676 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.434 9.485 6.963 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.419 10.903 6.610 1.00 1.12 H new ATOM 875 N SER A 85 -10.331 11.732 3.521 1.00 0.76 N ATOM 876 CA SER A 85 -10.283 12.849 2.587 1.00 0.84 C ATOM 877 C SER A 85 -11.026 12.461 1.319 1.00 0.94 C ATOM 878 O SER A 85 -11.668 13.292 0.675 1.00 1.22 O ATOM 879 CB SER A 85 -8.839 13.242 2.259 1.00 1.19 C ATOM 880 OG SER A 85 -8.119 12.148 1.714 1.00 1.88 O ATOM 0 H SER A 85 -9.437 11.267 3.681 1.00 0.76 H new ATOM 0 HA SER A 85 -10.759 13.715 3.048 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.837 14.071 1.551 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.341 13.594 3.163 1.00 1.19 H new ATOM 0 HG SER A 85 -7.657 11.669 2.434 1.00 1.88 H new ATOM 886 N GLY A 86 -10.939 11.179 0.981 1.00 0.96 N ATOM 887 CA GLY A 86 -11.625 10.674 -0.184 1.00 1.46 C ATOM 888 C GLY A 86 -10.776 10.824 -1.417 1.00 1.21 C ATOM 889 O GLY A 86 -11.280 10.791 -2.537 1.00 1.66 O ATOM 0 H GLY A 86 -10.403 10.482 1.498 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -11.875 9.623 -0.036 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.565 11.210 -0.318 1.00 1.46 H new ATOM 893 N ASN A 87 -9.479 10.997 -1.206 1.00 0.66 N ATOM 894 CA ASN A 87 -8.547 11.196 -2.305 1.00 0.67 C ATOM 895 C ASN A 87 -7.114 10.943 -1.857 1.00 0.52 C ATOM 896 O ASN A 87 -6.256 11.824 -1.908 1.00 0.72 O ATOM 897 CB ASN A 87 -8.700 12.599 -2.929 1.00 0.95 C ATOM 898 CG ASN A 87 -8.538 13.743 -1.937 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.435 14.244 -1.717 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.640 14.193 -1.361 1.00 1.72 N ATOM 0 H ASN A 87 -9.048 11.003 -0.281 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.789 10.468 -3.080 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.962 12.714 -3.723 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.683 12.672 -3.394 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.592 14.978 -0.712 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.538 13.755 -1.566 1.00 1.72 H new ATOM 907 N LEU A 88 -6.873 9.729 -1.384 1.00 0.40 N ATOM 908 CA LEU A 88 -5.531 9.283 -1.061 1.00 0.32 C ATOM 909 C LEU A 88 -4.678 9.220 -2.318 1.00 0.30 C ATOM 910 O LEU A 88 -4.574 8.177 -2.951 1.00 0.34 O ATOM 911 CB LEU A 88 -5.574 7.908 -0.409 1.00 0.37 C ATOM 912 CG LEU A 88 -4.532 7.701 0.663 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.793 6.412 1.420 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.124 7.705 0.091 1.00 0.48 C ATOM 0 H LEU A 88 -7.598 9.032 -1.215 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.091 9.997 -0.365 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.562 7.754 0.025 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.443 7.148 -1.179 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.608 8.538 1.357 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.031 6.281 2.188 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.776 6.458 1.888 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.759 5.570 0.728 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.404 7.553 0.895 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -3.026 6.903 -0.640 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.931 8.662 -0.393 1.00 0.48 H new ATOM 926 N ASN A 89 -4.105 10.342 -2.690 1.00 0.32 N ATOM 927 CA ASN A 89 -3.238 10.407 -3.848 1.00 0.34 C ATOM 928 C ASN A 89 -2.083 11.355 -3.574 1.00 0.40 C ATOM 929 O ASN A 89 -2.255 12.574 -3.606 1.00 0.50 O ATOM 930 CB ASN A 89 -4.034 10.840 -5.091 1.00 0.41 C ATOM 931 CG ASN A 89 -3.150 11.133 -6.294 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.824 10.240 -7.073 1.00 2.01 O ATOM 933 ND2 ASN A 89 -2.771 12.389 -6.465 1.00 1.62 N ATOM 0 H ASN A 89 -4.224 11.230 -2.203 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.828 9.416 -4.046 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.744 10.055 -5.352 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.616 11.729 -4.850 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -2.189 12.642 -7.264 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -3.061 13.104 -5.798 1.00 1.62 H new ATOM 940 N THR A 90 -0.918 10.796 -3.261 1.00 0.39 N ATOM 941 CA THR A 90 0.256 11.602 -3.010 1.00 0.50 C ATOM 942 C THR A 90 1.514 10.768 -3.184 1.00 0.55 C ATOM 943 O THR A 90 1.472 9.534 -3.124 1.00 0.69 O ATOM 944 CB THR A 90 0.222 12.156 -1.797 1.00 0.68 C ATOM 945 OG1 THR A 90 1.333 13.050 -1.618 1.00 1.67 O ATOM 946 CG2 THR A 90 0.224 11.108 -0.691 1.00 1.22 C ATOM 0 H THR A 90 -0.769 9.790 -3.177 1.00 0.39 H new ATOM 0 HA THR A 90 0.267 12.413 -3.739 1.00 0.50 H new ATOM 0 HB THR A 90 -0.710 12.717 -1.728 1.00 0.68 H new ATOM 0 HG1 THR A 90 1.291 13.449 -0.724 1.00 1.67 H new ATOM 0 HG21 THR A 90 0.196 11.603 0.280 1.00 1.22 H new ATOM 0 HG22 THR A 90 -0.651 10.466 -0.796 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.128 10.504 -0.764 1.00 1.22 H new ATOM 954 N MET A 91 2.604 11.440 -3.493 1.00 0.72 N ATOM 955 CA MET A 91 3.891 10.796 -3.638 1.00 1.00 C ATOM 956 C MET A 91 4.818 11.248 -2.529 1.00 0.88 C ATOM 957 O MET A 91 4.936 12.440 -2.248 1.00 0.92 O ATOM 958 CB MET A 91 4.518 11.071 -5.016 1.00 1.53 C ATOM 959 CG MET A 91 4.442 12.518 -5.481 1.00 2.33 C ATOM 960 SD MET A 91 2.773 13.001 -5.973 1.00 3.24 S ATOM 961 CE MET A 91 3.058 14.666 -6.557 1.00 3.94 C ATOM 0 H MET A 91 2.621 12.448 -3.650 1.00 0.72 H new ATOM 0 HA MET A 91 3.739 9.719 -3.564 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.565 10.769 -4.989 1.00 1.53 H new ATOM 0 HB3 MET A 91 4.023 10.441 -5.755 1.00 1.53 H new ATOM 0 HG2 MET A 91 4.784 13.172 -4.679 1.00 2.33 H new ATOM 0 HG3 MET A 91 5.121 12.662 -6.322 1.00 2.33 H new ATOM 0 HE1 MET A 91 2.117 15.099 -6.896 1.00 3.94 H new ATOM 0 HE2 MET A 91 3.465 15.271 -5.747 1.00 3.94 H new ATOM 0 HE3 MET A 91 3.766 14.645 -7.385 1.00 3.94 H new ATOM 971 N PHE A 92 5.462 10.288 -1.896 1.00 0.98 N ATOM 972 CA PHE A 92 6.326 10.554 -0.762 1.00 1.01 C ATOM 973 C PHE A 92 7.564 9.677 -0.841 1.00 0.90 C ATOM 974 O PHE A 92 7.469 8.478 -1.089 1.00 0.85 O ATOM 975 CB PHE A 92 5.560 10.292 0.539 1.00 1.24 C ATOM 976 CG PHE A 92 6.371 10.508 1.787 1.00 1.49 C ATOM 977 CD1 PHE A 92 6.618 11.790 2.253 1.00 1.94 C ATOM 978 CD2 PHE A 92 6.890 9.431 2.488 1.00 1.58 C ATOM 979 CE1 PHE A 92 7.366 11.992 3.396 1.00 2.47 C ATOM 980 CE2 PHE A 92 7.638 9.628 3.632 1.00 2.01 C ATOM 981 CZ PHE A 92 7.861 10.903 4.098 1.00 2.46 C ATOM 0 H PHE A 92 5.402 9.303 -2.152 1.00 0.98 H new ATOM 0 HA PHE A 92 6.640 11.598 -0.779 1.00 1.01 H new ATOM 0 HB2 PHE A 92 4.686 10.943 0.570 1.00 1.24 H new ATOM 0 HB3 PHE A 92 5.193 9.266 0.531 1.00 1.24 H new ATOM 0 HD1 PHE A 92 6.221 12.639 1.717 1.00 1.94 H new ATOM 0 HD2 PHE A 92 6.707 8.427 2.136 1.00 1.58 H new ATOM 0 HE1 PHE A 92 7.565 12.995 3.742 1.00 2.47 H new ATOM 0 HE2 PHE A 92 8.048 8.781 4.161 1.00 2.01 H new ATOM 0 HZ PHE A 92 8.421 11.056 5.009 1.00 2.46 H new ATOM 991 N GLU A 93 8.723 10.274 -0.662 1.00 0.98 N ATOM 992 CA GLU A 93 9.958 9.517 -0.664 1.00 0.97 C ATOM 993 C GLU A 93 10.427 9.287 0.768 1.00 1.21 C ATOM 994 O GLU A 93 10.734 10.239 1.499 1.00 1.50 O ATOM 995 CB GLU A 93 11.026 10.238 -1.491 1.00 1.18 C ATOM 996 CG GLU A 93 10.715 10.247 -2.981 1.00 1.33 C ATOM 997 CD GLU A 93 11.678 11.084 -3.799 1.00 1.57 C ATOM 998 OE1 GLU A 93 12.868 11.171 -3.431 1.00 1.97 O ATOM 999 OE2 GLU A 93 11.247 11.646 -4.830 1.00 1.92 O ATOM 0 H GLU A 93 8.837 11.277 -0.514 1.00 0.98 H new ATOM 0 HA GLU A 93 9.782 8.546 -1.126 1.00 0.97 H new ATOM 0 HB2 GLU A 93 11.119 11.265 -1.138 1.00 1.18 H new ATOM 0 HB3 GLU A 93 11.990 9.756 -1.329 1.00 1.18 H new ATOM 0 HG2 GLU A 93 10.732 9.223 -3.353 1.00 1.33 H new ATOM 0 HG3 GLU A 93 9.703 10.624 -3.130 1.00 1.33 H new ATOM 1006 N TYR A 94 10.475 8.019 1.160 1.00 1.23 N ATOM 1007 CA TYR A 94 10.786 7.646 2.529 1.00 1.60 C ATOM 1008 C TYR A 94 12.168 7.020 2.595 1.00 1.67 C ATOM 1009 O TYR A 94 12.510 6.149 1.793 1.00 1.62 O ATOM 1010 CB TYR A 94 9.726 6.673 3.060 1.00 1.88 C ATOM 1011 CG TYR A 94 9.984 6.172 4.464 1.00 2.23 C ATOM 1012 CD1 TYR A 94 10.449 4.884 4.689 1.00 2.63 C ATOM 1013 CD2 TYR A 94 9.773 6.995 5.564 1.00 2.62 C ATOM 1014 CE1 TYR A 94 10.697 4.430 5.970 1.00 3.18 C ATOM 1015 CE2 TYR A 94 10.017 6.548 6.848 1.00 3.33 C ATOM 1016 CZ TYR A 94 10.436 5.241 7.044 1.00 3.51 C ATOM 1017 OH TYR A 94 10.727 4.817 8.321 1.00 4.29 O ATOM 0 H TYR A 94 10.300 7.228 0.540 1.00 1.23 H new ATOM 0 HA TYR A 94 10.781 8.539 3.154 1.00 1.60 H new ATOM 0 HB2 TYR A 94 8.754 7.166 3.036 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.666 5.817 2.387 1.00 1.88 H new ATOM 0 HD1 TYR A 94 10.620 4.226 3.850 1.00 2.63 H new ATOM 0 HD2 TYR A 94 9.412 8.001 5.412 1.00 2.62 H new ATOM 0 HE1 TYR A 94 11.096 3.438 6.125 1.00 3.18 H new ATOM 0 HE2 TYR A 94 9.883 7.210 7.691 1.00 3.33 H new ATOM 0 HH TYR A 94 10.480 5.516 8.962 1.00 4.29 H new ATOM 1027 N THR A 95 12.961 7.476 3.545 1.00 1.95 N ATOM 1028 CA THR A 95 14.323 7.020 3.681 1.00 2.19 C ATOM 1029 C THR A 95 14.460 5.978 4.781 1.00 2.45 C ATOM 1030 O THR A 95 13.647 5.922 5.706 1.00 2.63 O ATOM 1031 CB THR A 95 15.134 8.030 3.925 1.00 2.45 C ATOM 1032 OG1 THR A 95 14.626 8.810 5.020 1.00 2.89 O ATOM 1033 CG2 THR A 95 15.292 8.913 2.701 1.00 2.83 C ATOM 0 H THR A 95 12.678 8.169 4.238 1.00 1.95 H new ATOM 0 HA THR A 95 14.601 6.558 2.734 1.00 2.19 H new ATOM 0 HB THR A 95 16.112 7.625 4.185 1.00 2.45 H new ATOM 0 HG1 THR A 95 15.073 8.540 5.849 1.00 2.89 H new ATOM 0 HG21 THR A 95 15.966 9.738 2.932 1.00 2.83 H new ATOM 0 HG22 THR A 95 15.704 8.326 1.880 1.00 2.83 H new ATOM 0 HG23 THR A 95 14.319 9.310 2.411 1.00 2.83 H new ATOM 1041 N PHE A 96 15.438 5.102 4.630 1.00 2.62 N ATOM 1042 CA PHE A 96 15.764 4.134 5.661 1.00 3.02 C ATOM 1043 C PHE A 96 17.104 4.490 6.284 1.00 3.39 C ATOM 1044 O PHE A 96 18.159 4.052 5.822 1.00 3.84 O ATOM 1045 CB PHE A 96 15.783 2.707 5.102 1.00 3.29 C ATOM 1046 CG PHE A 96 14.413 2.135 4.855 1.00 3.71 C ATOM 1047 CD1 PHE A 96 13.805 1.315 5.794 1.00 4.45 C ATOM 1048 CD2 PHE A 96 13.732 2.422 3.682 1.00 3.78 C ATOM 1049 CE1 PHE A 96 12.549 0.792 5.566 1.00 5.24 C ATOM 1050 CE2 PHE A 96 12.474 1.900 3.449 1.00 4.50 C ATOM 1051 CZ PHE A 96 11.882 1.073 4.407 1.00 5.25 C ATOM 0 H PHE A 96 16.023 5.042 3.797 1.00 2.62 H new ATOM 0 HA PHE A 96 14.991 4.168 6.429 1.00 3.02 H new ATOM 0 HB2 PHE A 96 16.344 2.700 4.167 1.00 3.29 H new ATOM 0 HB3 PHE A 96 16.317 2.061 5.799 1.00 3.29 H new ATOM 0 HD1 PHE A 96 14.321 1.083 6.714 1.00 4.45 H new ATOM 0 HD2 PHE A 96 14.190 3.061 2.942 1.00 3.78 H new ATOM 0 HE1 PHE A 96 12.090 0.156 6.309 1.00 5.24 H new ATOM 0 HE2 PHE A 96 11.952 2.130 2.532 1.00 4.50 H new ATOM 0 HZ PHE A 96 10.901 0.657 4.232 1.00 5.25 H new ATOM 1061 N ASP A 97 17.047 5.322 7.313 1.00 3.71 N ATOM 1062 CA ASP A 97 18.243 5.839 7.968 1.00 4.37 C ATOM 1063 C ASP A 97 18.924 4.761 8.796 1.00 4.59 C ATOM 1064 O ASP A 97 18.365 3.681 9.008 1.00 4.90 O ATOM 1065 CB ASP A 97 17.884 7.017 8.879 1.00 5.00 C ATOM 1066 CG ASP A 97 17.182 8.139 8.147 1.00 5.62 C ATOM 1067 OD1 ASP A 97 15.972 8.012 7.870 1.00 5.98 O ATOM 1068 OD2 ASP A 97 17.842 9.150 7.831 1.00 6.06 O ATOM 0 H ASP A 97 16.173 5.658 7.718 1.00 3.71 H new ATOM 0 HA ASP A 97 18.928 6.172 7.188 1.00 4.37 H new ATOM 0 HB2 ASP A 97 17.245 6.662 9.687 1.00 5.00 H new ATOM 0 HB3 ASP A 97 18.794 7.404 9.339 1.00 5.00 H new ATOM 1073 N TYR A 98 20.142 5.074 9.250 1.00 4.86 N ATOM 1074 CA TYR A 98 20.921 4.215 10.149 1.00 5.39 C ATOM 1075 C TYR A 98 21.488 2.987 9.437 1.00 5.39 C ATOM 1076 O TYR A 98 22.631 2.602 9.681 1.00 5.65 O ATOM 1077 CB TYR A 98 20.091 3.789 11.366 1.00 6.08 C ATOM 1078 CG TYR A 98 19.661 4.944 12.241 1.00 6.83 C ATOM 1079 CD1 TYR A 98 20.491 5.424 13.242 1.00 7.42 C ATOM 1080 CD2 TYR A 98 18.427 5.555 12.065 1.00 7.24 C ATOM 1081 CE1 TYR A 98 20.103 6.477 14.045 1.00 8.35 C ATOM 1082 CE2 TYR A 98 18.034 6.609 12.862 1.00 8.16 C ATOM 1083 CZ TYR A 98 18.876 7.067 13.849 1.00 8.70 C ATOM 1084 OH TYR A 98 18.488 8.118 14.648 1.00 9.77 O ATOM 0 H TYR A 98 20.620 5.940 9.001 1.00 4.86 H new ATOM 0 HA TYR A 98 21.766 4.812 10.492 1.00 5.39 H new ATOM 0 HB2 TYR A 98 19.205 3.256 11.022 1.00 6.08 H new ATOM 0 HB3 TYR A 98 20.673 3.088 11.964 1.00 6.08 H new ATOM 0 HD1 TYR A 98 21.457 4.966 13.396 1.00 7.42 H new ATOM 0 HD2 TYR A 98 17.764 5.199 11.291 1.00 7.24 H new ATOM 0 HE1 TYR A 98 20.760 6.836 14.824 1.00 8.35 H new ATOM 0 HE2 TYR A 98 17.070 7.073 12.712 1.00 8.16 H new ATOM 0 HH TYR A 98 17.596 8.422 14.379 1.00 9.77 H new ATOM 1094 N GLN A 99 20.699 2.382 8.561 1.00 5.51 N ATOM 1095 CA GLN A 99 21.120 1.181 7.854 1.00 5.83 C ATOM 1096 C GLN A 99 22.190 1.506 6.817 1.00 5.62 C ATOM 1097 O GLN A 99 22.228 2.614 6.273 1.00 5.86 O ATOM 1098 CB GLN A 99 19.920 0.511 7.183 1.00 6.51 C ATOM 1099 CG GLN A 99 18.765 0.244 8.135 1.00 7.10 C ATOM 1100 CD GLN A 99 17.650 -0.557 7.497 1.00 7.79 C ATOM 1101 OE1 GLN A 99 17.888 -1.397 6.626 1.00 8.08 O ATOM 1102 NE2 GLN A 99 16.423 -0.299 7.920 1.00 8.34 N ATOM 0 H GLN A 99 19.761 2.704 8.322 1.00 5.51 H new ATOM 0 HA GLN A 99 21.548 0.491 8.582 1.00 5.83 H new ATOM 0 HB2 GLN A 99 19.570 1.144 6.367 1.00 6.51 H new ATOM 0 HB3 GLN A 99 20.241 -0.432 6.740 1.00 6.51 H new ATOM 0 HG2 GLN A 99 19.137 -0.292 9.008 1.00 7.10 H new ATOM 0 HG3 GLN A 99 18.366 1.194 8.490 1.00 7.10 H new ATOM 0 HE21 GLN A 99 16.270 0.404 8.643 1.00 8.34 H new ATOM 0 HE22 GLN A 99 15.630 -0.803 7.523 1.00 8.34 H new ATOM 1111 N MET A 100 23.054 0.532 6.551 1.00 5.51 N ATOM 1112 CA MET A 100 24.171 0.713 5.630 1.00 5.61 C ATOM 1113 C MET A 100 23.683 0.969 4.208 1.00 5.03 C ATOM 1114 O MET A 100 24.265 1.774 3.479 1.00 5.20 O ATOM 1115 CB MET A 100 25.079 -0.519 5.647 1.00 6.33 C ATOM 1116 CG MET A 100 26.288 -0.395 4.738 1.00 6.86 C ATOM 1117 SD MET A 100 27.298 -1.888 4.721 1.00 7.54 S ATOM 1118 CE MET A 100 28.610 -1.387 3.611 1.00 8.19 C ATOM 0 H MET A 100 23.001 -0.399 6.964 1.00 5.51 H new ATOM 0 HA MET A 100 24.735 1.585 5.962 1.00 5.61 H new ATOM 0 HB2 MET A 100 25.419 -0.696 6.668 1.00 6.33 H new ATOM 0 HB3 MET A 100 24.499 -1.392 5.349 1.00 6.33 H new ATOM 0 HG2 MET A 100 25.954 -0.175 3.724 1.00 6.86 H new ATOM 0 HG3 MET A 100 26.898 0.448 5.063 1.00 6.86 H new ATOM 0 HE1 MET A 100 29.321 -2.205 3.495 1.00 8.19 H new ATOM 0 HE2 MET A 100 28.187 -1.133 2.639 1.00 8.19 H new ATOM 0 HE3 MET A 100 29.122 -0.517 4.022 1.00 8.19 H new ATOM 1128 N THR A 101 22.609 0.297 3.826 1.00 4.63 N ATOM 1129 CA THR A 101 22.072 0.427 2.483 1.00 4.25 C ATOM 1130 C THR A 101 21.243 1.705 2.366 1.00 3.46 C ATOM 1131 O THR A 101 20.409 1.988 3.229 1.00 3.35 O ATOM 1132 CB THR A 101 21.319 -0.616 2.184 1.00 4.65 C ATOM 1133 OG1 THR A 101 21.914 -1.808 2.726 1.00 5.10 O ATOM 1134 CG2 THR A 101 21.150 -0.781 0.682 1.00 5.07 C ATOM 0 H THR A 101 22.092 -0.344 4.428 1.00 4.63 H new ATOM 0 HA THR A 101 22.907 0.475 1.784 1.00 4.25 H new ATOM 0 HB THR A 101 20.333 -0.449 2.618 1.00 4.65 H new ATOM 0 HG1 THR A 101 21.355 -2.582 2.506 1.00 5.10 H new ATOM 0 HG21 THR A 101 20.524 -1.650 0.480 1.00 5.07 H new ATOM 0 HG22 THR A 101 20.678 0.110 0.269 1.00 5.07 H new ATOM 0 HG23 THR A 101 22.127 -0.922 0.219 1.00 5.07 H new ATOM 1142 N PRO A 102 21.498 2.524 1.328 1.00 3.42 N ATOM 1143 CA PRO A 102 20.765 3.774 1.102 1.00 3.17 C ATOM 1144 C PRO A 102 19.388 3.533 0.486 1.00 2.61 C ATOM 1145 O PRO A 102 18.957 4.267 -0.408 1.00 2.79 O ATOM 1146 CB PRO A 102 21.669 4.526 0.128 1.00 3.96 C ATOM 1147 CG PRO A 102 22.359 3.459 -0.646 1.00 4.51 C ATOM 1148 CD PRO A 102 22.534 2.300 0.299 1.00 4.18 C ATOM 0 HA PRO A 102 20.566 4.314 2.028 1.00 3.17 H new ATOM 0 HB2 PRO A 102 21.091 5.179 -0.526 1.00 3.96 H new ATOM 0 HB3 PRO A 102 22.383 5.157 0.657 1.00 3.96 H new ATOM 0 HG2 PRO A 102 21.770 3.167 -1.516 1.00 4.51 H new ATOM 0 HG3 PRO A 102 23.323 3.808 -1.016 1.00 4.51 H new ATOM 0 HD2 PRO A 102 22.394 1.346 -0.208 1.00 4.18 H new ATOM 0 HD3 PRO A 102 23.533 2.286 0.734 1.00 4.18 H new ATOM 1156 N THR A 103 18.700 2.517 0.988 1.00 2.26 N ATOM 1157 CA THR A 103 17.398 2.142 0.480 1.00 1.91 C ATOM 1158 C THR A 103 16.374 3.242 0.728 1.00 1.65 C ATOM 1159 O THR A 103 15.831 3.378 1.822 1.00 1.74 O ATOM 1160 CB THR A 103 16.995 1.020 1.046 1.00 2.12 C ATOM 1161 OG1 THR A 103 18.000 0.013 0.856 1.00 2.59 O ATOM 1162 CG2 THR A 103 15.674 0.534 0.464 1.00 2.29 C ATOM 0 H THR A 103 19.032 1.934 1.757 1.00 2.26 H new ATOM 0 HA THR A 103 17.487 1.992 -0.596 1.00 1.91 H new ATOM 0 HB THR A 103 16.839 1.212 2.108 1.00 2.12 H new ATOM 0 HG1 THR A 103 18.187 -0.086 -0.101 1.00 2.59 H new ATOM 0 HG21 THR A 103 15.378 -0.392 0.957 1.00 2.29 H new ATOM 0 HG22 THR A 103 14.906 1.291 0.622 1.00 2.29 H new ATOM 0 HG23 THR A 103 15.791 0.354 -0.605 1.00 2.29 H new ATOM 1170 N LYS A 104 16.127 4.033 -0.295 1.00 1.52 N ATOM 1171 CA LYS A 104 15.067 5.014 -0.254 1.00 1.37 C ATOM 1172 C LYS A 104 13.892 4.496 -1.062 1.00 1.18 C ATOM 1173 O LYS A 104 14.074 4.046 -2.201 1.00 1.26 O ATOM 1174 CB LYS A 104 15.539 6.346 -0.838 1.00 1.53 C ATOM 1175 CG LYS A 104 14.532 7.471 -0.662 1.00 1.64 C ATOM 1176 CD LYS A 104 14.795 8.623 -1.620 1.00 2.24 C ATOM 1177 CE LYS A 104 14.586 8.199 -3.067 1.00 2.60 C ATOM 1178 NZ LYS A 104 14.676 9.344 -4.008 1.00 3.12 N ATOM 0 H LYS A 104 16.651 4.014 -1.170 1.00 1.52 H new ATOM 0 HA LYS A 104 14.773 5.178 0.783 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.478 6.631 -0.363 1.00 1.53 H new ATOM 0 HB3 LYS A 104 15.746 6.216 -1.900 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.525 7.086 -0.825 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.571 7.836 0.364 1.00 1.64 H new ATOM 0 HD2 LYS A 104 14.131 9.454 -1.383 1.00 2.24 H new ATOM 0 HD3 LYS A 104 15.816 8.983 -1.488 1.00 2.24 H new ATOM 0 HE2 LYS A 104 15.332 7.451 -3.336 1.00 2.60 H new ATOM 0 HE3 LYS A 104 13.610 7.725 -3.167 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 14.108 9.142 -4.856 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 14.315 10.203 -3.546 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 15.668 9.490 -4.283 1.00 3.12 H new ATOM 1192 N VAL A 105 12.702 4.530 -0.483 1.00 1.04 N ATOM 1193 CA VAL A 105 11.518 4.158 -1.220 1.00 0.90 C ATOM 1194 C VAL A 105 10.771 5.394 -1.678 1.00 0.72 C ATOM 1195 O VAL A 105 10.961 6.488 -1.144 1.00 0.75 O ATOM 1196 CB VAL A 105 10.701 3.365 -0.540 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.365 2.020 -0.273 1.00 1.23 C ATOM 1198 CG2 VAL A 105 10.242 4.003 0.763 1.00 1.11 C ATOM 0 H VAL A 105 12.537 4.809 0.484 1.00 1.04 H new ATOM 0 HA VAL A 105 11.864 3.589 -2.083 1.00 0.90 H new ATOM 0 HB VAL A 105 9.814 3.206 -1.153 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.681 1.381 0.286 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.614 1.543 -1.221 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.275 2.172 0.307 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.575 3.319 1.288 1.00 1.11 H new ATOM 0 HG22 VAL A 105 11.109 4.216 1.389 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.713 4.931 0.547 1.00 1.11 H new ATOM 1208 N LYS A 106 9.974 5.224 -2.700 1.00 0.64 N ATOM 1209 CA LYS A 106 9.212 6.315 -3.264 1.00 0.59 C ATOM 1210 C LYS A 106 7.800 5.845 -3.538 1.00 0.53 C ATOM 1211 O LYS A 106 7.566 5.073 -4.466 1.00 0.68 O ATOM 1212 CB LYS A 106 9.876 6.815 -4.553 1.00 0.79 C ATOM 1213 CG LYS A 106 9.155 7.977 -5.220 1.00 1.39 C ATOM 1214 CD LYS A 106 9.914 8.464 -6.447 1.00 1.61 C ATOM 1215 CE LYS A 106 9.203 9.623 -7.131 1.00 2.08 C ATOM 1216 NZ LYS A 106 9.079 10.805 -6.238 1.00 2.36 N ATOM 0 H LYS A 106 9.833 4.328 -3.167 1.00 0.64 H new ATOM 0 HA LYS A 106 9.182 7.144 -2.557 1.00 0.59 H new ATOM 0 HB2 LYS A 106 10.898 7.119 -4.327 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.938 5.988 -5.260 1.00 0.79 H new ATOM 0 HG2 LYS A 106 8.151 7.667 -5.509 1.00 1.39 H new ATOM 0 HG3 LYS A 106 9.044 8.796 -4.509 1.00 1.39 H new ATOM 0 HD2 LYS A 106 10.917 8.775 -6.154 1.00 1.61 H new ATOM 0 HD3 LYS A 106 10.029 7.641 -7.153 1.00 1.61 H new ATOM 0 HE2 LYS A 106 9.751 9.904 -8.031 1.00 2.08 H new ATOM 0 HE3 LYS A 106 8.211 9.303 -7.449 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 8.878 11.651 -6.808 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 8.303 10.650 -5.563 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 9.969 10.942 -5.717 1.00 2.36 H new ATOM 1230 N VAL A 107 6.869 6.275 -2.708 1.00 0.47 N ATOM 1231 CA VAL A 107 5.484 5.861 -2.867 1.00 0.49 C ATOM 1232 C VAL A 107 4.678 6.880 -3.622 1.00 0.45 C ATOM 1233 O VAL A 107 4.945 8.076 -3.560 1.00 0.74 O ATOM 1234 CB VAL A 107 4.843 5.607 -1.731 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.117 4.183 -1.270 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.194 6.597 -0.628 1.00 1.11 C ATOM 0 H VAL A 107 7.041 6.904 -1.924 1.00 0.47 H new ATOM 0 HA VAL A 107 5.564 4.928 -3.425 1.00 0.49 H new ATOM 0 HB VAL A 107 3.778 5.720 -1.936 1.00 0.60 H new ATOM 0 HG11 VAL A 107 4.584 3.993 -0.338 1.00 0.99 H new ATOM 0 HG12 VAL A 107 4.777 3.482 -2.032 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.187 4.052 -1.109 1.00 0.99 H new ATOM 0 HG21 VAL A 107 4.643 6.343 0.277 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.264 6.552 -0.426 1.00 1.11 H new ATOM 0 HG23 VAL A 107 4.927 7.605 -0.945 1.00 1.11 H new ATOM 1246 N HIS A 108 3.753 6.379 -4.405 1.00 0.30 N ATOM 1247 CA HIS A 108 2.676 7.183 -4.908 1.00 0.31 C ATOM 1248 C HIS A 108 1.401 6.391 -4.758 1.00 0.28 C ATOM 1249 O HIS A 108 1.140 5.449 -5.508 1.00 0.31 O ATOM 1250 CB HIS A 108 2.895 7.586 -6.368 1.00 0.43 C ATOM 1251 CG HIS A 108 1.867 8.553 -6.878 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.136 8.347 -8.027 1.00 0.94 N ATOM 1253 CD2 HIS A 108 1.462 9.749 -6.392 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.330 9.374 -8.222 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.508 10.240 -7.247 1.00 0.80 N ATOM 0 H HIS A 108 3.729 5.405 -4.708 1.00 0.30 H new ATOM 0 HA HIS A 108 2.621 8.111 -4.339 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.885 8.031 -6.470 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.882 6.691 -6.990 1.00 0.43 H new ATOM 0 HD2 HIS A 108 1.824 10.229 -5.495 1.00 0.71 H new ATOM 0 HE1 HIS A 108 -0.361 9.485 -9.045 1.00 1.01 H new ATOM 0 HE2 HIS A 108 0.018 11.129 -7.144 1.00 0.80 H new ATOM 1264 N MET A 109 0.628 6.763 -3.768 1.00 0.31 N ATOM 1265 CA MET A 109 -0.660 6.151 -3.549 1.00 0.33 C ATOM 1266 C MET A 109 -1.674 6.977 -4.280 1.00 0.37 C ATOM 1267 O MET A 109 -1.520 8.191 -4.362 1.00 0.55 O ATOM 1268 CB MET A 109 -1.006 6.083 -2.059 1.00 0.43 C ATOM 1269 CG MET A 109 -0.054 5.233 -1.228 1.00 0.77 C ATOM 1270 SD MET A 109 1.560 6.006 -0.987 1.00 1.28 S ATOM 1271 CE MET A 109 1.097 7.493 -0.101 1.00 2.22 C ATOM 0 H MET A 109 0.870 7.492 -3.097 1.00 0.31 H new ATOM 0 HA MET A 109 -0.649 5.125 -3.916 1.00 0.33 H new ATOM 0 HB2 MET A 109 -1.016 7.095 -1.655 1.00 0.43 H new ATOM 0 HB3 MET A 109 -2.016 5.686 -1.951 1.00 0.43 H new ATOM 0 HG2 MET A 109 -0.506 5.038 -0.255 1.00 0.77 H new ATOM 0 HG3 MET A 109 0.081 4.268 -1.716 1.00 0.77 H new ATOM 0 HE1 MET A 109 1.953 7.860 0.465 1.00 2.22 H new ATOM 0 HE2 MET A 109 0.778 8.255 -0.812 1.00 2.22 H new ATOM 0 HE3 MET A 109 0.278 7.269 0.583 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.681 6.348 -4.845 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.664 7.110 -5.572 1.00 0.30 C ATOM 1283 C LYS A 110 -5.036 6.504 -5.442 1.00 0.24 C ATOM 1284 O LYS A 110 -5.208 5.296 -5.544 1.00 0.24 O ATOM 1285 CB LYS A 110 -3.296 7.250 -7.054 1.00 0.43 C ATOM 1286 CG LYS A 110 -3.191 5.937 -7.816 1.00 0.64 C ATOM 1287 CD LYS A 110 -3.459 6.148 -9.299 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.514 7.176 -9.899 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.998 7.676 -11.212 1.00 1.73 N ATOM 0 H LYS A 110 -2.837 5.340 -4.816 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.677 8.105 -5.127 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -4.043 7.877 -7.541 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -2.343 7.774 -7.129 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.197 5.511 -7.679 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.905 5.219 -7.412 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.350 5.201 -9.827 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -4.489 6.474 -9.440 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.404 8.013 -9.210 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -1.526 6.732 -10.022 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.325 8.375 -11.587 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -3.079 6.881 -11.878 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -3.930 8.122 -11.091 1.00 1.73 H new ATOM 1303 N LYS A 111 -6.002 7.361 -5.203 1.00 0.23 N ATOM 1304 CA LYS A 111 -7.380 6.995 -5.316 1.00 0.22 C ATOM 1305 C LYS A 111 -7.644 6.431 -6.700 1.00 0.22 C ATOM 1306 O LYS A 111 -7.486 7.127 -7.709 1.00 0.29 O ATOM 1307 CB LYS A 111 -8.178 8.257 -5.073 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.666 8.159 -5.362 1.00 0.35 C ATOM 1309 CD LYS A 111 -10.320 9.521 -5.205 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.763 9.526 -5.677 1.00 0.91 C ATOM 1311 NZ LYS A 111 -12.620 8.611 -4.882 1.00 1.78 N ATOM 0 H LYS A 111 -5.846 8.330 -4.925 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.660 6.226 -4.596 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -8.047 8.553 -4.032 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.759 9.054 -5.687 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.824 7.786 -6.374 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -10.130 7.444 -4.683 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -10.282 9.821 -4.158 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.753 10.261 -5.770 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -12.160 10.539 -5.613 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.800 9.235 -6.727 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -13.614 8.736 -5.161 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -12.332 7.627 -5.056 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -12.515 8.828 -3.870 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.990 5.145 -6.729 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.184 4.415 -7.972 1.00 0.26 C ATOM 1327 C ALA A 112 -9.091 5.185 -8.920 1.00 0.38 C ATOM 1328 O ALA A 112 -10.093 5.767 -8.496 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.770 3.040 -7.693 1.00 0.33 C ATOM 0 H ALA A 112 -8.143 4.584 -5.891 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.211 4.296 -8.448 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.909 2.506 -8.633 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -8.090 2.477 -7.054 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.732 3.149 -7.192 1.00 0.33 H new ATOM 1335 N LEU A 113 -8.742 5.176 -10.198 1.00 0.47 N ATOM 1336 CA LEU A 113 -9.476 5.937 -11.201 1.00 0.64 C ATOM 1337 C LEU A 113 -10.890 5.394 -11.367 1.00 0.76 C ATOM 1338 O LEU A 113 -11.754 6.049 -11.950 1.00 0.96 O ATOM 1339 CB LEU A 113 -8.738 5.897 -12.539 1.00 0.76 C ATOM 1340 CG LEU A 113 -7.297 6.407 -12.501 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -6.672 6.333 -13.885 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -7.258 7.831 -11.975 1.00 2.39 C ATOM 0 H LEU A 113 -7.951 4.648 -10.567 1.00 0.47 H new ATOM 0 HA LEU A 113 -9.543 6.971 -10.863 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -8.734 4.870 -12.903 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -9.298 6.490 -13.263 1.00 0.76 H new ATOM 0 HG LEU A 113 -6.720 5.773 -11.829 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -5.646 6.700 -13.841 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -6.673 5.299 -14.230 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -7.248 6.947 -14.577 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -6.226 8.183 -11.953 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -7.847 8.476 -12.627 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -7.672 7.858 -10.967 1.00 2.39 H new ATOM 1354 N SER A 114 -11.111 4.189 -10.863 1.00 0.73 N ATOM 1355 CA SER A 114 -12.431 3.584 -10.864 1.00 0.92 C ATOM 1356 C SER A 114 -13.392 4.421 -10.021 1.00 0.93 C ATOM 1357 O SER A 114 -14.410 4.906 -10.511 1.00 1.27 O ATOM 1358 CB SER A 114 -12.336 2.163 -10.309 1.00 1.04 C ATOM 1359 OG SER A 114 -11.221 1.480 -10.864 1.00 1.66 O ATOM 0 H SER A 114 -10.385 3.608 -10.445 1.00 0.73 H new ATOM 0 HA SER A 114 -12.812 3.545 -11.884 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.244 2.197 -9.223 1.00 1.04 H new ATOM 0 HB3 SER A 114 -13.252 1.617 -10.535 1.00 1.04 H new ATOM 0 HG SER A 114 -11.176 0.573 -10.495 1.00 1.66 H new ATOM 1365 N GLY A 115 -13.035 4.614 -8.762 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.862 5.383 -7.858 1.00 0.79 C ATOM 1367 C GLY A 115 -13.358 5.286 -6.440 1.00 0.78 C ATOM 1368 O GLY A 115 -12.755 6.223 -5.924 1.00 1.52 O ATOM 0 H GLY A 115 -12.178 4.248 -8.347 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -13.874 6.427 -8.172 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.890 5.023 -7.907 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.579 4.143 -5.815 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.066 3.899 -4.475 1.00 0.85 C ATOM 1374 C ASP A 116 -11.725 3.191 -4.591 1.00 0.80 C ATOM 1375 O ASP A 116 -11.158 3.139 -5.682 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.062 3.069 -3.649 1.00 1.25 C ATOM 1377 CG ASP A 116 -13.799 3.156 -2.153 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -13.147 2.240 -1.605 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -14.232 4.144 -1.526 1.00 2.79 O ATOM 0 H ASP A 116 -14.110 3.368 -6.212 1.00 0.72 H new ATOM 0 HA ASP A 116 -12.932 4.847 -3.955 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.075 3.413 -3.856 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.009 2.027 -3.963 1.00 1.25 H new ATOM 1384 N SER A 117 -11.235 2.664 -3.473 1.00 0.42 N ATOM 1385 CA SER A 117 -9.928 1.998 -3.370 1.00 0.29 C ATOM 1386 C SER A 117 -8.774 2.935 -3.733 1.00 0.22 C ATOM 1387 O SER A 117 -8.941 3.934 -4.433 1.00 0.25 O ATOM 1388 CB SER A 117 -9.865 0.681 -4.170 1.00 0.34 C ATOM 1389 OG SER A 117 -10.242 0.824 -5.530 1.00 0.44 O ATOM 0 H SER A 117 -11.743 2.685 -2.589 1.00 0.42 H new ATOM 0 HA SER A 117 -9.809 1.729 -2.320 1.00 0.29 H new ATOM 0 HB2 SER A 117 -8.851 0.285 -4.123 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.516 -0.054 -3.696 1.00 0.34 H new ATOM 0 HG SER A 117 -10.127 1.758 -5.805 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.604 2.623 -3.213 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.423 3.444 -3.429 1.00 0.19 C ATOM 1397 C TYR A 118 -5.224 2.550 -3.731 1.00 0.20 C ATOM 1398 O TYR A 118 -5.047 1.507 -3.109 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.137 4.308 -2.190 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.323 5.090 -1.689 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.080 4.620 -0.637 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.681 6.288 -2.275 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.173 5.323 -0.172 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.774 7.005 -1.822 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.498 6.546 -0.766 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.605 7.223 -0.303 1.00 0.42 O ATOM 0 H TYR A 118 -7.442 1.800 -2.632 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.602 4.104 -4.278 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.777 3.664 -1.388 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.332 5.004 -2.425 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.813 3.684 -0.168 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -7.099 6.671 -3.100 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.769 4.933 0.640 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -9.052 7.929 -2.307 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.882 6.846 0.558 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.405 2.947 -4.691 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.268 2.151 -5.080 1.00 0.22 C ATOM 1418 C TRP A 119 -2.036 2.540 -4.300 1.00 0.25 C ATOM 1419 O TRP A 119 -1.984 3.595 -3.674 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.978 2.338 -6.558 1.00 0.25 C ATOM 1421 CG TRP A 119 -4.030 1.792 -7.459 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -5.298 2.260 -7.628 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.884 0.681 -8.332 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.961 1.477 -8.547 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -5.107 0.502 -8.995 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.830 -0.183 -8.611 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -5.304 -0.521 -9.920 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -3.017 -1.187 -9.522 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -4.246 -1.356 -10.173 1.00 0.42 C ATOM 0 H TRP A 119 -4.512 3.818 -5.212 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.512 1.109 -4.871 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.857 3.402 -6.762 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -2.028 1.858 -6.794 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.719 3.114 -7.119 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.928 1.602 -8.845 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.878 -0.063 -8.116 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -6.253 -0.651 -10.418 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -2.203 -1.861 -9.743 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -4.362 -2.158 -10.887 1.00 0.42 H new ATOM 1440 N VAL A 120 -1.050 1.671 -4.361 1.00 0.28 N ATOM 1441 CA VAL A 120 0.244 1.894 -3.746 1.00 0.32 C ATOM 1442 C VAL A 120 1.345 1.524 -4.739 1.00 0.34 C ATOM 1443 O VAL A 120 1.692 0.349 -4.894 1.00 0.43 O ATOM 1444 CB VAL A 120 0.395 1.162 -2.645 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.755 1.427 -2.002 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.716 1.409 -1.632 1.00 0.62 C ATOM 0 H VAL A 120 -1.124 0.777 -4.846 1.00 0.28 H new ATOM 0 HA VAL A 120 0.309 2.947 -3.472 1.00 0.32 H new ATOM 0 HB VAL A 120 0.339 0.117 -2.950 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.857 0.818 -1.104 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.547 1.171 -2.706 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.833 2.481 -1.737 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.549 0.789 -0.751 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.717 2.460 -1.342 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.678 1.155 -2.078 1.00 0.62 H new ATOM 1456 N PHE A 121 1.877 2.519 -5.425 1.00 0.34 N ATOM 1457 CA PHE A 121 3.018 2.307 -6.300 1.00 0.42 C ATOM 1458 C PHE A 121 4.284 2.720 -5.563 1.00 0.40 C ATOM 1459 O PHE A 121 4.397 3.861 -5.121 1.00 0.49 O ATOM 1460 CB PHE A 121 2.888 3.127 -7.583 1.00 0.61 C ATOM 1461 CG PHE A 121 1.634 2.862 -8.367 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.530 3.690 -8.236 1.00 0.52 C ATOM 1463 CD2 PHE A 121 1.553 1.777 -9.225 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.628 3.442 -8.946 1.00 0.96 C ATOM 1465 CE2 PHE A 121 0.397 1.525 -9.939 1.00 1.49 C ATOM 1466 CZ PHE A 121 -0.676 2.384 -9.836 1.00 1.45 C ATOM 0 H PHE A 121 1.539 3.481 -5.394 1.00 0.34 H new ATOM 0 HA PHE A 121 3.060 1.253 -6.573 1.00 0.42 H new ATOM 0 HB2 PHE A 121 2.925 4.186 -7.328 1.00 0.61 H new ATOM 0 HB3 PHE A 121 3.749 2.922 -8.219 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.576 4.539 -7.571 1.00 0.52 H new ATOM 0 HD2 PHE A 121 2.403 1.121 -9.337 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.494 4.072 -8.807 1.00 0.96 H new ATOM 0 HE2 PHE A 121 0.334 0.656 -10.577 1.00 1.49 H new ATOM 0 HZ PHE A 121 -1.552 2.231 -10.449 1.00 1.45 H new ATOM 1476 N VAL A 122 5.223 1.804 -5.411 1.00 0.49 N ATOM 1477 CA VAL A 122 6.437 2.098 -4.673 1.00 0.61 C ATOM 1478 C VAL A 122 7.679 1.818 -5.521 1.00 0.73 C ATOM 1479 O VAL A 122 7.659 0.972 -6.417 1.00 0.95 O ATOM 1480 CB VAL A 122 6.478 1.425 -3.518 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.547 -0.081 -3.750 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.618 1.893 -2.626 1.00 1.52 C ATOM 0 H VAL A 122 5.169 0.857 -5.786 1.00 0.49 H new ATOM 0 HA VAL A 122 6.430 3.162 -4.434 1.00 0.61 H new ATOM 0 HB VAL A 122 5.546 1.640 -2.994 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.579 -0.596 -2.790 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.667 -0.404 -4.306 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.445 -0.321 -4.320 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.614 1.320 -1.699 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.567 1.744 -3.140 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.491 2.951 -2.399 1.00 1.52 H new ATOM 1492 N LYS A 123 8.720 2.608 -5.300 1.00 0.76 N ATOM 1493 CA LYS A 123 9.995 2.415 -5.955 1.00 0.97 C ATOM 1494 C LYS A 123 11.096 2.341 -4.909 1.00 1.04 C ATOM 1495 O LYS A 123 11.318 3.299 -4.174 1.00 1.02 O ATOM 1496 CB LYS A 123 10.287 3.565 -6.919 1.00 1.11 C ATOM 1497 CG LYS A 123 9.206 3.795 -7.962 1.00 1.66 C ATOM 1498 CD LYS A 123 9.565 4.947 -8.886 1.00 2.03 C ATOM 1499 CE LYS A 123 10.833 4.655 -9.675 1.00 2.74 C ATOM 1500 NZ LYS A 123 11.204 5.780 -10.573 1.00 3.45 N ATOM 0 H LYS A 123 8.699 3.401 -4.659 1.00 0.76 H new ATOM 0 HA LYS A 123 9.958 1.485 -6.522 1.00 0.97 H new ATOM 0 HB2 LYS A 123 10.421 4.481 -6.344 1.00 1.11 H new ATOM 0 HB3 LYS A 123 11.230 3.367 -7.428 1.00 1.11 H new ATOM 0 HG2 LYS A 123 9.064 2.887 -8.548 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.258 4.006 -7.466 1.00 1.66 H new ATOM 0 HD2 LYS A 123 8.741 5.132 -9.575 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.701 5.856 -8.300 1.00 2.03 H new ATOM 0 HE2 LYS A 123 11.652 4.458 -8.984 1.00 2.74 H new ATOM 0 HE3 LYS A 123 10.691 3.751 -10.267 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 12.073 5.539 -11.091 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 10.434 5.952 -11.250 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 11.365 6.637 -10.007 1.00 3.45 H new ATOM 1514 N ARG A 124 11.776 1.213 -4.831 1.00 1.23 N ATOM 1515 CA ARG A 124 12.833 1.039 -3.847 1.00 1.40 C ATOM 1516 C ARG A 124 14.181 0.890 -4.531 1.00 1.63 C ATOM 1517 O ARG A 124 14.258 0.492 -5.695 1.00 1.81 O ATOM 1518 CB ARG A 124 12.579 -0.196 -2.975 1.00 1.65 C ATOM 1519 CG ARG A 124 12.568 -1.503 -3.755 1.00 1.97 C ATOM 1520 CD ARG A 124 13.190 -2.634 -2.951 1.00 2.31 C ATOM 1521 NE ARG A 124 14.622 -2.420 -2.720 1.00 2.83 N ATOM 1522 CZ ARG A 124 15.303 -2.926 -1.691 1.00 3.38 C ATOM 1523 NH1 ARG A 124 14.698 -3.729 -0.820 1.00 3.50 N ATOM 1524 NH2 ARG A 124 16.598 -2.654 -1.558 1.00 4.23 N ATOM 0 H ARG A 124 11.618 0.405 -5.433 1.00 1.23 H new ATOM 0 HA ARG A 124 12.839 1.927 -3.215 1.00 1.40 H new ATOM 0 HB2 ARG A 124 13.347 -0.250 -2.204 1.00 1.65 H new ATOM 0 HB3 ARG A 124 11.623 -0.079 -2.465 1.00 1.65 H new ATOM 0 HG2 ARG A 124 11.543 -1.763 -4.018 1.00 1.97 H new ATOM 0 HG3 ARG A 124 13.114 -1.375 -4.689 1.00 1.97 H new ATOM 0 HD2 ARG A 124 12.677 -2.723 -1.993 1.00 2.31 H new ATOM 0 HD3 ARG A 124 13.045 -3.577 -3.479 1.00 2.31 H new ATOM 0 HE ARG A 124 15.132 -1.846 -3.391 1.00 2.83 H new ATOM 0 HH11 ARG A 124 13.711 -3.959 -0.938 1.00 3.50 H new ATOM 0 HH12 ARG A 124 15.221 -4.115 -0.034 1.00 3.50 H new ATOM 0 HH21 ARG A 124 17.067 -2.060 -2.242 1.00 4.23 H new ATOM 0 HH22 ARG A 124 17.122 -3.039 -0.772 1.00 4.23 H new ATOM 1538 N VAL A 125 15.230 1.212 -3.801 1.00 1.80 N ATOM 1539 CA VAL A 125 16.586 0.964 -4.254 1.00 2.18 C ATOM 1540 C VAL A 125 17.348 0.134 -3.211 1.00 2.76 C ATOM 1541 O VAL A 125 17.571 -1.068 -3.468 1.00 3.34 O ATOM 1542 CB VAL A 125 17.228 2.097 -4.562 1.00 2.48 C ATOM 1543 CG1 VAL A 125 17.113 3.146 -3.455 1.00 3.01 C ATOM 1544 CG2 VAL A 125 18.687 1.830 -4.915 1.00 3.14 C ATOM 1545 OXT VAL A 125 17.658 0.655 -2.122 1.00 3.27 O ATOM 0 H VAL A 125 15.169 1.650 -2.882 1.00 1.80 H new ATOM 0 HA VAL A 125 16.536 0.386 -5.177 1.00 2.18 H new ATOM 0 HB VAL A 125 16.737 2.507 -5.444 1.00 2.48 H new ATOM 0 HG11 VAL A 125 17.650 4.047 -3.751 1.00 3.01 H new ATOM 0 HG12 VAL A 125 16.063 3.387 -3.290 1.00 3.01 H new ATOM 0 HG13 VAL A 125 17.544 2.752 -2.535 1.00 3.01 H new ATOM 0 HG21 VAL A 125 19.180 2.771 -5.160 1.00 3.14 H new ATOM 0 HG22 VAL A 125 19.189 1.368 -4.064 1.00 3.14 H new ATOM 0 HG23 VAL A 125 18.737 1.160 -5.773 1.00 3.14 H new TER 1555 VAL A 125 HETATM 1556 C1 HC4 A 169 1.752 -7.572 20.760 1.00 12.02 C HETATM 1557 O1 HC4 A 169 2.407 -8.131 21.624 1.00 12.16 O HETATM 1558 C2 HC4 A 169 1.384 -8.151 19.373 1.00 12.51 C HETATM 1559 C3 HC4 A 169 1.716 -9.360 18.873 1.00 13.15 C HETATM 1560 C1' HC4 A 169 2.525 -10.451 19.431 1.00 13.58 C HETATM 1561 C2' HC4 A 169 2.711 -11.598 18.661 1.00 14.40 C HETATM 1562 C3' HC4 A 169 3.451 -12.669 19.123 1.00 14.99 C HETATM 1563 C4' HC4 A 169 4.025 -12.613 20.371 1.00 14.81 C HETATM 1564 C5' HC4 A 169 3.860 -11.497 21.156 1.00 14.03 C HETATM 1565 C6' HC4 A 169 3.116 -10.429 20.686 1.00 13.40 C HETATM 1566 O4' HC4 A 169 4.758 -13.678 20.839 1.00 15.56 O HETATM 0 HO4' HC4 A 169 5.095 -13.474 21.736 1.00 15.56 H new HETATM 0 H6' HC4 A 169 2.991 -9.549 21.317 1.00 13.40 H new HETATM 0 H5' HC4 A 169 4.314 -11.453 22.146 1.00 14.03 H new HETATM 0 H3' HC4 A 169 3.579 -13.555 18.501 1.00 14.99 H new HETATM 0 H3 HC4 A 169 1.313 -9.562 17.881 1.00 13.15 H new HETATM 0 H2' HC4 A 169 2.261 -11.651 17.670 1.00 14.40 H new HETATM 0 H2 HC4 A 169 0.788 -7.508 18.725 1.00 12.51 H new