USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 745 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 83 MET CE :methyl 144:sc= -9.59! (180deg=-16.3!) USER MOD Set 1.2: A 94 TYR OH : rot 50:sc= -0.282 USER MOD Set 2.1: A 17 SER OG : rot 30:sc= 0.0251 USER MOD Set 2.2: A 69 THR OG1 : rot 70:sc= 0.42 USER MOD Set 2.3: A 82 GLN :FLIP amide:sc= -3.08! F(o=-4.7,f=-4!) USER MOD Set 2.4: A 84 ASN : amide:sc= -1.32 K(o=-4,f=-11!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.86) USER MOD Single : A 7 SER OG : rot 44:sc= 1.06 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 21 SER OG : rot -75:sc= 1.08 USER MOD Single : A 32 TYR OH : rot 130:sc= -1.8 USER MOD Single : A 34 MET CE :methyl -110:sc= -2.36 (180deg=-7.78!) USER MOD Single : A 39 GLN : amide:sc= -0.725 K(o=-0.73,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= -0.484 (180deg=-1.61!) USER MOD Single : A 47 SER OG : rot 180:sc= -0.705 USER MOD Single : A 52 ASN : amide:sc= -0.486 X(o=-0.49,f=-0.49) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 130:sc= -0.199 USER MOD Single : A 62 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 63 SER OG : rot 96:sc= -0.168 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.12) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 153:sc= -1.1 (180deg=-3.29!) USER MOD Single : A 78 THR OG1 : rot -140:sc= -0.269 USER MOD Single : A 80 TYR OH : rot 0:sc= -0.308 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc=-0.00883 F(o=-1.6,f=-0.0088) USER MOD Single : A 114 THR OG1 : rot -150:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.307 10.852 -1.260 1.00 0.00 N ATOM 37 CA GLN A 3 9.021 11.042 -1.923 1.00 0.00 C ATOM 38 C GLN A 3 8.116 9.830 -1.725 1.00 0.00 C ATOM 39 O GLN A 3 8.592 8.718 -1.499 1.00 0.00 O ATOM 40 CB GLN A 3 9.226 11.302 -3.416 1.00 0.00 C ATOM 41 CG GLN A 3 9.850 10.131 -4.157 1.00 0.00 C ATOM 42 CD GLN A 3 9.543 10.150 -5.642 1.00 0.00 C ATOM 43 OE1 GLN A 3 10.410 10.446 -6.464 1.00 0.00 O ATOM 44 NE2 GLN A 3 8.302 9.834 -5.993 1.00 0.00 N ATOM 0 HA GLN A 3 8.536 11.908 -1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 3 8.264 11.538 -3.871 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.861 12.179 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.930 10.149 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 3 9.486 9.198 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.615 9.595 -5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.036 9.830 -6.978 1.00 0.00 H new ATOM 53 N LEU A 4 6.809 10.056 -1.812 1.00 0.00 N ATOM 54 CA LEU A 4 5.833 8.985 -1.644 1.00 0.00 C ATOM 55 C LEU A 4 4.486 9.376 -2.245 1.00 0.00 C ATOM 56 O LEU A 4 3.704 10.095 -1.623 1.00 0.00 O ATOM 57 CB LEU A 4 5.662 8.649 -0.161 1.00 0.00 C ATOM 58 CG LEU A 4 6.806 7.841 0.455 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.806 8.763 1.134 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.264 6.819 1.443 1.00 0.00 C ATOM 0 H LEU A 4 6.401 10.972 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 4 6.204 8.105 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.553 9.579 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.734 8.091 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 4 7.320 7.308 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.612 8.170 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.218 9.456 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.306 9.325 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.091 6.253 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.725 7.333 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.587 6.138 0.927 1.00 0.00 H new ATOM 72 N GLN A 5 4.221 8.901 -3.458 1.00 0.00 N ATOM 73 CA GLN A 5 2.969 9.203 -4.140 1.00 0.00 C ATOM 74 C GLN A 5 2.264 7.924 -4.581 1.00 0.00 C ATOM 75 O GLN A 5 2.808 6.828 -4.451 1.00 0.00 O ATOM 76 CB GLN A 5 3.229 10.100 -5.352 1.00 0.00 C ATOM 77 CG GLN A 5 2.148 11.142 -5.578 1.00 0.00 C ATOM 78 CD GLN A 5 2.584 12.535 -5.165 1.00 0.00 C ATOM 79 OE1 GLN A 5 3.470 12.697 -4.327 1.00 0.00 O ATOM 80 NE2 GLN A 5 1.960 13.549 -5.754 1.00 0.00 N ATOM 0 H GLN A 5 4.857 8.305 -3.988 1.00 0.00 H new ATOM 0 HA GLN A 5 2.321 9.728 -3.439 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.187 10.604 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.314 9.478 -6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 5 1.871 11.150 -6.632 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.257 10.863 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.231 13.368 -6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.210 14.509 -5.517 1.00 0.00 H new ATOM 89 N GLU A 6 1.051 8.073 -5.105 1.00 0.00 N ATOM 90 CA GLU A 6 0.270 6.929 -5.567 1.00 0.00 C ATOM 91 C GLU A 6 -0.182 7.131 -7.010 1.00 0.00 C ATOM 92 O GLU A 6 -0.147 8.246 -7.532 1.00 0.00 O ATOM 93 CB GLU A 6 -0.953 6.696 -4.666 1.00 0.00 C ATOM 94 CG GLU A 6 -1.040 7.634 -3.470 1.00 0.00 C ATOM 95 CD GLU A 6 -0.120 7.222 -2.338 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.465 6.268 -1.611 1.00 0.00 O ATOM 97 OE2 GLU A 6 0.945 7.855 -2.178 1.00 0.00 O ATOM 0 H GLU A 6 0.587 8.974 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 6 0.911 6.049 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.857 6.806 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.933 5.668 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.789 8.646 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.068 7.660 -3.107 1.00 0.00 H new ATOM 104 N SER A 7 -0.607 6.047 -7.649 1.00 0.00 N ATOM 105 CA SER A 7 -1.067 6.104 -9.031 1.00 0.00 C ATOM 106 C SER A 7 -1.732 4.793 -9.438 1.00 0.00 C ATOM 107 O SER A 7 -1.227 3.711 -9.141 1.00 0.00 O ATOM 108 CB SER A 7 0.104 6.408 -9.968 1.00 0.00 C ATOM 109 OG SER A 7 0.231 7.802 -10.190 1.00 0.00 O ATOM 0 H SER A 7 -0.642 5.117 -7.231 1.00 0.00 H new ATOM 0 HA SER A 7 -1.804 6.904 -9.110 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.028 6.019 -9.539 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.045 5.897 -10.919 1.00 0.00 H new ATOM 0 HG SER A 7 0.131 8.279 -9.340 1.00 0.00 H new ATOM 115 N GLY A 8 -2.867 4.898 -10.121 1.00 0.00 N ATOM 116 CA GLY A 8 -3.582 3.713 -10.558 1.00 0.00 C ATOM 117 C GLY A 8 -4.897 3.519 -9.827 1.00 0.00 C ATOM 118 O GLY A 8 -5.766 2.778 -10.288 1.00 0.00 O ATOM 0 H GLY A 8 -3.305 5.782 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.773 3.784 -11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.953 2.837 -10.404 1.00 0.00 H new ATOM 122 N GLY A 9 -5.044 4.180 -8.681 1.00 0.00 N ATOM 123 CA GLY A 9 -6.259 4.060 -7.904 1.00 0.00 C ATOM 124 C GLY A 9 -7.505 4.371 -8.709 1.00 0.00 C ATOM 125 O GLY A 9 -7.437 4.576 -9.921 1.00 0.00 O ATOM 0 H GLY A 9 -4.339 4.798 -8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.332 3.048 -7.507 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.206 4.735 -7.050 1.00 0.00 H new ATOM 129 N GLY A 10 -8.644 4.405 -8.030 1.00 0.00 N ATOM 130 CA GLY A 10 -9.900 4.693 -8.698 1.00 0.00 C ATOM 131 C GLY A 10 -11.054 3.889 -8.135 1.00 0.00 C ATOM 132 O GLY A 10 -10.847 2.910 -7.417 1.00 0.00 O ATOM 0 H GLY A 10 -8.721 4.238 -7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.122 5.756 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.799 4.481 -9.762 1.00 0.00 H new ATOM 136 N LEU A 11 -12.272 4.310 -8.453 1.00 0.00 N ATOM 137 CA LEU A 11 -13.464 3.639 -7.972 1.00 0.00 C ATOM 138 C LEU A 11 -13.626 2.266 -8.614 1.00 0.00 C ATOM 139 O LEU A 11 -13.259 2.063 -9.772 1.00 0.00 O ATOM 140 CB LEU A 11 -14.691 4.497 -8.257 1.00 0.00 C ATOM 141 CG LEU A 11 -14.576 5.922 -7.731 1.00 0.00 C ATOM 142 CD1 LEU A 11 -14.462 6.913 -8.880 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.757 6.268 -6.835 1.00 0.00 C ATOM 0 H LEU A 11 -12.456 5.119 -9.046 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.362 3.496 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.859 4.529 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.566 4.024 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.668 5.989 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.381 7.924 -8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.576 6.684 -9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -15.348 6.842 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.651 7.290 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.683 6.178 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.783 5.583 -5.987 1.00 0.00 H new ATOM 155 N VAL A 12 -14.176 1.325 -7.854 1.00 0.00 N ATOM 156 CA VAL A 12 -14.387 -0.030 -8.349 1.00 0.00 C ATOM 157 C VAL A 12 -15.336 -0.807 -7.441 1.00 0.00 C ATOM 158 O VAL A 12 -15.058 -1.002 -6.258 1.00 0.00 O ATOM 159 CB VAL A 12 -13.055 -0.795 -8.466 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.370 -0.890 -7.111 1.00 0.00 C ATOM 161 CG2 VAL A 12 -13.278 -2.179 -9.062 1.00 0.00 C ATOM 0 H VAL A 12 -14.484 1.476 -6.893 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.834 0.058 -9.339 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.400 -0.241 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.431 -1.434 -7.215 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.169 0.113 -6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.019 -1.417 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.324 -2.701 -9.136 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.954 -2.746 -8.422 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.716 -2.081 -10.056 1.00 0.00 H new ATOM 171 N GLN A 13 -16.456 -1.247 -8.005 1.00 0.00 N ATOM 172 CA GLN A 13 -17.449 -2.001 -7.260 1.00 0.00 C ATOM 173 C GLN A 13 -16.827 -3.225 -6.591 1.00 0.00 C ATOM 174 O GLN A 13 -15.809 -3.745 -7.046 1.00 0.00 O ATOM 175 CB GLN A 13 -18.580 -2.420 -8.201 1.00 0.00 C ATOM 176 CG GLN A 13 -18.260 -3.639 -9.054 1.00 0.00 C ATOM 177 CD GLN A 13 -19.415 -4.045 -9.948 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.095 -3.198 -10.527 1.00 0.00 O ATOM 179 NE2 GLN A 13 -19.644 -5.349 -10.064 1.00 0.00 N ATOM 0 H GLN A 13 -16.697 -1.091 -8.984 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.851 -1.365 -6.471 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.472 -2.628 -7.610 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.821 -1.584 -8.857 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.386 -3.427 -9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.998 -4.474 -8.404 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -19.055 -6.016 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -20.409 -5.682 -10.651 1.00 0.00 H new ATOM 188 N ALA A 14 -17.450 -3.676 -5.507 1.00 0.00 N ATOM 189 CA ALA A 14 -16.968 -4.834 -4.768 1.00 0.00 C ATOM 190 C ALA A 14 -16.694 -6.012 -5.698 1.00 0.00 C ATOM 191 O ALA A 14 -17.467 -6.282 -6.618 1.00 0.00 O ATOM 192 CB ALA A 14 -17.976 -5.226 -3.699 1.00 0.00 C ATOM 0 H ALA A 14 -18.294 -3.253 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.027 -4.563 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.607 -6.093 -3.151 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.117 -4.394 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.928 -5.472 -4.169 1.00 0.00 H new ATOM 198 N GLY A 15 -15.589 -6.707 -5.455 1.00 0.00 N ATOM 199 CA GLY A 15 -15.232 -7.845 -6.281 1.00 0.00 C ATOM 200 C GLY A 15 -14.216 -7.490 -7.350 1.00 0.00 C ATOM 201 O GLY A 15 -13.513 -8.361 -7.861 1.00 0.00 O ATOM 0 H GLY A 15 -14.934 -6.503 -4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -14.829 -8.636 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.130 -8.242 -6.755 1.00 0.00 H new ATOM 205 N GLY A 16 -14.137 -6.206 -7.686 1.00 0.00 N ATOM 206 CA GLY A 16 -13.196 -5.760 -8.697 1.00 0.00 C ATOM 207 C GLY A 16 -11.827 -5.464 -8.118 1.00 0.00 C ATOM 208 O GLY A 16 -11.695 -4.648 -7.207 1.00 0.00 O ATOM 0 H GLY A 16 -14.708 -5.467 -7.276 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.104 -6.525 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.584 -4.864 -9.182 1.00 0.00 H new ATOM 212 N SER A 17 -10.807 -6.132 -8.645 1.00 0.00 N ATOM 213 CA SER A 17 -9.446 -5.941 -8.174 1.00 0.00 C ATOM 214 C SER A 17 -8.915 -4.568 -8.570 1.00 0.00 C ATOM 215 O SER A 17 -9.009 -4.164 -9.729 1.00 0.00 O ATOM 216 CB SER A 17 -8.541 -7.035 -8.738 1.00 0.00 C ATOM 217 OG SER A 17 -8.756 -7.209 -10.128 1.00 0.00 O ATOM 0 H SER A 17 -10.900 -6.811 -9.400 1.00 0.00 H new ATOM 0 HA SER A 17 -9.450 -6.002 -7.086 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.497 -6.777 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.732 -7.973 -8.217 1.00 0.00 H new ATOM 0 HG SER A 17 -9.044 -6.360 -10.523 1.00 0.00 H new ATOM 223 N LEU A 18 -8.354 -3.856 -7.598 1.00 0.00 N ATOM 224 CA LEU A 18 -7.804 -2.532 -7.838 1.00 0.00 C ATOM 225 C LEU A 18 -6.281 -2.562 -7.749 1.00 0.00 C ATOM 226 O LEU A 18 -5.717 -3.148 -6.826 1.00 0.00 O ATOM 227 CB LEU A 18 -8.373 -1.537 -6.828 1.00 0.00 C ATOM 228 CG LEU A 18 -7.993 -0.082 -7.081 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.898 0.529 -8.139 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.059 0.719 -5.789 1.00 0.00 C ATOM 0 H LEU A 18 -8.269 -4.178 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.085 -2.215 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.460 -1.620 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.034 -1.818 -5.831 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.968 -0.052 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.612 1.567 -8.307 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.798 -0.030 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.933 0.488 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.785 1.755 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.073 0.683 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.367 0.294 -5.062 1.00 0.00 H new ATOM 242 N ARG A 19 -5.621 -1.939 -8.719 1.00 0.00 N ATOM 243 CA ARG A 19 -4.163 -1.910 -8.750 1.00 0.00 C ATOM 244 C ARG A 19 -3.625 -0.528 -8.388 1.00 0.00 C ATOM 245 O ARG A 19 -3.900 0.457 -9.073 1.00 0.00 O ATOM 246 CB ARG A 19 -3.660 -2.324 -10.137 1.00 0.00 C ATOM 247 CG ARG A 19 -2.166 -2.114 -10.342 1.00 0.00 C ATOM 248 CD ARG A 19 -1.891 -1.049 -11.392 1.00 0.00 C ATOM 249 NE ARG A 19 -0.466 -0.751 -11.512 1.00 0.00 N ATOM 250 CZ ARG A 19 0.076 -0.126 -12.556 1.00 0.00 C ATOM 251 NH1 ARG A 19 -0.684 0.267 -13.571 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.381 0.108 -12.584 1.00 0.00 N ATOM 0 H ARG A 19 -6.071 -1.449 -9.492 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.796 -2.617 -8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.894 -3.376 -10.298 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.203 -1.757 -10.893 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.706 -1.823 -9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.704 -3.053 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.273 -1.384 -12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.431 -0.138 -11.134 1.00 0.00 H new ATOM 0 HE ARG A 19 0.150 -1.038 -10.752 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.689 0.091 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.263 0.745 -14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.969 -0.191 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.796 0.587 -13.383 1.00 0.00 H new ATOM 266 N LEU A 20 -2.847 -0.468 -7.311 1.00 0.00 N ATOM 267 CA LEU A 20 -2.256 0.784 -6.859 1.00 0.00 C ATOM 268 C LEU A 20 -0.738 0.734 -6.983 1.00 0.00 C ATOM 269 O LEU A 20 -0.108 -0.266 -6.638 1.00 0.00 O ATOM 270 CB LEU A 20 -2.652 1.069 -5.410 1.00 0.00 C ATOM 271 CG LEU A 20 -4.123 0.818 -5.079 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.439 1.283 -3.667 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.018 1.517 -6.089 1.00 0.00 C ATOM 0 H LEU A 20 -2.612 -1.276 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.633 1.587 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.038 0.453 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.417 2.109 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.314 -0.254 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.491 1.096 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.819 0.737 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.235 2.350 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.063 1.329 -5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.826 2.590 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.808 1.134 -7.088 1.00 0.00 H new ATOM 285 N SER A 21 -0.158 1.818 -7.483 1.00 0.00 N ATOM 286 CA SER A 21 1.288 1.900 -7.660 1.00 0.00 C ATOM 287 C SER A 21 1.868 3.086 -6.899 1.00 0.00 C ATOM 288 O SER A 21 1.637 4.240 -7.259 1.00 0.00 O ATOM 289 CB SER A 21 1.632 2.021 -9.145 1.00 0.00 C ATOM 290 OG SER A 21 1.152 3.242 -9.682 1.00 0.00 O ATOM 0 H SER A 21 -0.666 2.653 -7.773 1.00 0.00 H new ATOM 0 HA SER A 21 1.728 0.986 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.712 1.962 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.198 1.184 -9.692 1.00 0.00 H new ATOM 0 HG SER A 21 0.182 3.185 -9.807 1.00 0.00 H new ATOM 296 N CYS A 22 2.630 2.796 -5.849 1.00 0.00 N ATOM 297 CA CYS A 22 3.250 3.841 -5.045 1.00 0.00 C ATOM 298 C CYS A 22 4.751 3.897 -5.307 1.00 0.00 C ATOM 299 O CYS A 22 5.423 2.866 -5.347 1.00 0.00 O ATOM 300 CB CYS A 22 2.983 3.604 -3.556 1.00 0.00 C ATOM 301 SG CYS A 22 3.802 4.798 -2.447 1.00 0.00 S ATOM 0 H CYS A 22 2.832 1.847 -5.536 1.00 0.00 H new ATOM 0 HA CYS A 22 2.810 4.797 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.908 3.642 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.313 2.598 -3.295 1.00 0.00 H new ATOM 306 N ALA A 23 5.269 5.106 -5.488 1.00 0.00 N ATOM 307 CA ALA A 23 6.691 5.296 -5.750 1.00 0.00 C ATOM 308 C ALA A 23 7.388 5.953 -4.565 1.00 0.00 C ATOM 309 O ALA A 23 6.770 6.693 -3.800 1.00 0.00 O ATOM 310 CB ALA A 23 6.888 6.130 -7.008 1.00 0.00 C ATOM 0 H ALA A 23 4.726 5.969 -5.458 1.00 0.00 H new ATOM 0 HA ALA A 23 7.140 4.314 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.954 6.264 -7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.434 5.620 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.417 7.104 -6.876 1.00 0.00 H new ATOM 316 N ALA A 24 8.680 5.677 -4.420 1.00 0.00 N ATOM 317 CA ALA A 24 9.464 6.241 -3.328 1.00 0.00 C ATOM 318 C ALA A 24 10.919 6.434 -3.741 1.00 0.00 C ATOM 319 O ALA A 24 11.421 5.740 -4.625 1.00 0.00 O ATOM 320 CB ALA A 24 9.376 5.349 -2.099 1.00 0.00 C ATOM 0 H ALA A 24 9.206 5.066 -5.045 1.00 0.00 H new ATOM 0 HA ALA A 24 9.050 7.219 -3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.966 5.783 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.336 5.266 -1.784 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.763 4.359 -2.340 1.00 0.00 H new ATOM 414 N TYR A 32 15.057 0.752 5.331 1.00 0.00 N ATOM 415 CA TYR A 32 13.798 1.384 4.967 1.00 0.00 C ATOM 416 C TYR A 32 12.953 0.453 4.100 1.00 0.00 C ATOM 417 O TYR A 32 13.437 -0.113 3.120 1.00 0.00 O ATOM 418 CB TYR A 32 14.096 2.709 4.248 1.00 0.00 C ATOM 419 CG TYR A 32 13.183 3.040 3.082 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.278 2.346 1.882 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.240 4.056 3.179 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.459 2.653 0.813 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.417 4.368 2.113 1.00 0.00 C ATOM 424 CZ TYR A 32 11.531 3.664 0.933 1.00 0.00 C ATOM 425 OH TYR A 32 10.713 3.973 -0.130 1.00 0.00 O ATOM 0 HA TYR A 32 13.219 1.592 5.866 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.035 3.518 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.124 2.682 3.886 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.005 1.553 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.149 4.610 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.546 2.103 -0.112 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.688 5.160 2.204 1.00 0.00 H new ATOM 0 HH TYR A 32 9.781 4.005 0.173 1.00 0.00 H new ATOM 435 N ASP A 33 11.686 0.299 4.473 1.00 0.00 N ATOM 436 CA ASP A 33 10.767 -0.561 3.737 1.00 0.00 C ATOM 437 C ASP A 33 9.577 0.240 3.218 1.00 0.00 C ATOM 438 O ASP A 33 9.562 1.468 3.304 1.00 0.00 O ATOM 439 CB ASP A 33 10.278 -1.702 4.632 1.00 0.00 C ATOM 440 CG ASP A 33 11.415 -2.401 5.352 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.228 -3.064 4.674 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.492 -2.285 6.593 1.00 0.00 O ATOM 0 H ASP A 33 11.272 0.760 5.283 1.00 0.00 H new ATOM 0 HA ASP A 33 11.301 -0.981 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.575 -1.308 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.735 -2.427 4.027 1.00 0.00 H new ATOM 447 N MET A 34 8.580 -0.457 2.682 1.00 0.00 N ATOM 448 CA MET A 34 7.391 0.201 2.155 1.00 0.00 C ATOM 449 C MET A 34 6.133 -0.581 2.512 1.00 0.00 C ATOM 450 O MET A 34 6.201 -1.766 2.831 1.00 0.00 O ATOM 451 CB MET A 34 7.500 0.359 0.637 1.00 0.00 C ATOM 452 CG MET A 34 7.885 1.763 0.199 1.00 0.00 C ATOM 453 SD MET A 34 6.865 2.376 -1.157 1.00 0.00 S ATOM 454 CE MET A 34 5.909 3.636 -0.317 1.00 0.00 C ATOM 0 H MET A 34 8.572 -1.474 2.602 1.00 0.00 H new ATOM 0 HA MET A 34 7.321 1.189 2.610 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.240 -0.347 0.259 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.545 0.094 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.798 2.441 1.048 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.931 1.769 -0.108 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.872 3.311 -0.234 1.00 0.00 H new ATOM 0 HE2 MET A 34 6.319 3.800 0.680 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.954 4.565 -0.885 1.00 0.00 H new ATOM 464 N GLY A 35 4.985 0.087 2.456 1.00 0.00 N ATOM 465 CA GLY A 35 3.735 -0.577 2.776 1.00 0.00 C ATOM 466 C GLY A 35 2.533 0.340 2.669 1.00 0.00 C ATOM 467 O GLY A 35 2.603 1.513 3.033 1.00 0.00 O ATOM 0 H GLY A 35 4.898 1.070 2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.599 -1.425 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.791 -0.977 3.788 1.00 0.00 H new ATOM 471 N TRP A 36 1.426 -0.201 2.168 1.00 0.00 N ATOM 472 CA TRP A 36 0.202 0.564 2.010 1.00 0.00 C ATOM 473 C TRP A 36 -0.584 0.624 3.312 1.00 0.00 C ATOM 474 O TRP A 36 -0.459 -0.249 4.173 1.00 0.00 O ATOM 475 CB TRP A 36 -0.660 -0.048 0.917 1.00 0.00 C ATOM 476 CG TRP A 36 -0.086 0.102 -0.459 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.850 -0.698 -1.049 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.413 1.114 -1.419 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.124 -0.247 -2.317 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.362 0.864 -2.568 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.286 2.206 -1.419 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.289 1.666 -3.704 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.357 3.001 -2.548 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.574 2.728 -3.676 1.00 0.00 C ATOM 0 H TRP A 36 1.356 -1.172 1.864 1.00 0.00 H new ATOM 0 HA TRP A 36 0.477 1.581 1.730 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.801 -1.108 1.129 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.646 0.416 0.942 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.308 -1.560 -0.586 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.787 -0.670 -2.966 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.894 2.425 -0.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.892 1.458 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.028 3.847 -2.560 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.653 3.369 -4.542 1.00 0.00 H new ATOM 495 N PHE A 37 -1.389 1.666 3.445 1.00 0.00 N ATOM 496 CA PHE A 37 -2.198 1.871 4.627 1.00 0.00 C ATOM 497 C PHE A 37 -3.598 2.340 4.236 1.00 0.00 C ATOM 498 O PHE A 37 -3.908 2.476 3.053 1.00 0.00 O ATOM 499 CB PHE A 37 -1.539 2.925 5.509 1.00 0.00 C ATOM 500 CG PHE A 37 -0.538 2.378 6.486 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.650 1.819 6.044 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.780 2.438 7.850 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.577 1.326 6.944 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.144 1.948 8.754 1.00 0.00 C ATOM 505 CZ PHE A 37 1.324 1.391 8.301 1.00 0.00 C ATOM 0 H PHE A 37 -1.497 2.391 2.735 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.280 0.929 5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.044 3.657 4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.315 3.456 6.061 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.854 1.768 4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.701 2.872 8.210 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.498 0.890 6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.057 2.001 9.814 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.047 1.007 9.006 1.00 0.00 H new ATOM 515 N ARG A 38 -4.434 2.600 5.236 1.00 0.00 N ATOM 516 CA ARG A 38 -5.792 3.071 4.993 1.00 0.00 C ATOM 517 C ARG A 38 -6.253 3.981 6.128 1.00 0.00 C ATOM 518 O ARG A 38 -5.683 3.960 7.218 1.00 0.00 O ATOM 519 CB ARG A 38 -6.773 1.905 4.833 1.00 0.00 C ATOM 520 CG ARG A 38 -6.127 0.535 4.656 1.00 0.00 C ATOM 521 CD ARG A 38 -6.899 -0.547 5.396 1.00 0.00 C ATOM 522 NE ARG A 38 -8.345 -0.359 5.296 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.222 -0.874 6.155 1.00 0.00 C ATOM 524 NH1 ARG A 38 -8.808 -1.615 7.175 1.00 0.00 N ATOM 525 NH2 ARG A 38 -10.519 -0.648 5.992 1.00 0.00 N ATOM 0 H ARG A 38 -4.195 2.492 6.222 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.780 3.635 4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.421 1.873 5.709 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.411 2.103 3.971 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.080 0.288 3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.101 0.566 5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.632 -1.523 4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.606 -0.547 6.446 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.704 0.200 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.812 -1.793 7.305 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.486 -2.006 7.829 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.843 -0.080 5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.192 -1.042 6.649 1.00 0.00 H new ATOM 539 N GLN A 39 -7.285 4.781 5.870 1.00 0.00 N ATOM 540 CA GLN A 39 -7.805 5.692 6.883 1.00 0.00 C ATOM 541 C GLN A 39 -9.206 6.180 6.526 1.00 0.00 C ATOM 542 O GLN A 39 -9.486 6.517 5.376 1.00 0.00 O ATOM 543 CB GLN A 39 -6.866 6.888 7.052 1.00 0.00 C ATOM 544 CG GLN A 39 -6.844 7.449 8.464 1.00 0.00 C ATOM 545 CD GLN A 39 -5.436 7.645 8.993 1.00 0.00 C ATOM 546 OE1 GLN A 39 -4.463 7.568 8.244 1.00 0.00 O ATOM 547 NE2 GLN A 39 -5.323 7.899 10.291 1.00 0.00 N ATOM 0 H GLN A 39 -7.773 4.816 4.975 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.865 5.144 7.823 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.856 6.588 6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.167 7.676 6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.370 8.404 8.480 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.387 6.775 9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.158 7.954 10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.401 8.039 10.705 1.00 0.00 H new ATOM 556 N ALA A 40 -10.078 6.221 7.527 1.00 0.00 N ATOM 557 CA ALA A 40 -11.449 6.675 7.334 1.00 0.00 C ATOM 558 C ALA A 40 -11.747 7.872 8.233 1.00 0.00 C ATOM 559 O ALA A 40 -10.980 8.172 9.148 1.00 0.00 O ATOM 560 CB ALA A 40 -12.425 5.541 7.613 1.00 0.00 C ATOM 0 H ALA A 40 -9.858 5.944 8.484 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.569 6.987 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.445 5.894 7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.225 4.713 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.304 5.202 8.642 1.00 0.00 H new ATOM 566 N PRO A 41 -12.863 8.578 7.988 1.00 0.00 N ATOM 567 CA PRO A 41 -13.239 9.745 8.789 1.00 0.00 C ATOM 568 C PRO A 41 -13.579 9.374 10.220 1.00 0.00 C ATOM 569 O PRO A 41 -14.261 8.382 10.474 1.00 0.00 O ATOM 570 CB PRO A 41 -14.462 10.309 8.062 1.00 0.00 C ATOM 571 CG PRO A 41 -15.018 9.156 7.299 1.00 0.00 C ATOM 572 CD PRO A 41 -13.839 8.300 6.920 1.00 0.00 C ATOM 0 HA PRO A 41 -12.422 10.462 8.873 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.193 10.706 8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.184 11.126 7.397 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.729 8.594 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.553 9.497 6.413 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.104 7.243 6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.448 8.566 5.938 1.00 0.00 H new ATOM 580 N GLY A 42 -13.068 10.166 11.156 1.00 0.00 N ATOM 581 CA GLY A 42 -13.298 9.890 12.556 1.00 0.00 C ATOM 582 C GLY A 42 -12.622 8.602 12.986 1.00 0.00 C ATOM 583 O GLY A 42 -12.812 8.138 14.110 1.00 0.00 O ATOM 0 H GLY A 42 -12.500 10.992 10.968 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.923 10.718 13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.370 9.820 12.743 1.00 0.00 H new ATOM 587 N LYS A 43 -11.838 8.016 12.079 1.00 0.00 N ATOM 588 CA LYS A 43 -11.143 6.774 12.357 1.00 0.00 C ATOM 589 C LYS A 43 -9.637 7.001 12.463 1.00 0.00 C ATOM 590 O LYS A 43 -9.161 8.132 12.365 1.00 0.00 O ATOM 591 CB LYS A 43 -11.449 5.778 11.244 1.00 0.00 C ATOM 592 CG LYS A 43 -11.416 4.326 11.690 1.00 0.00 C ATOM 593 CD LYS A 43 -10.377 3.537 10.913 1.00 0.00 C ATOM 594 CE LYS A 43 -10.873 2.139 10.577 1.00 0.00 C ATOM 595 NZ LYS A 43 -12.231 2.162 9.965 1.00 0.00 N ATOM 0 H LYS A 43 -11.673 8.390 11.144 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.487 6.379 13.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.434 5.999 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.729 5.917 10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.193 4.275 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.399 3.877 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.130 4.067 9.993 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.460 3.468 11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.174 1.661 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.894 1.534 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.315 1.386 9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.949 2.045 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.378 3.071 9.481 1.00 0.00 H new ATOM 609 N GLU A 44 -8.893 5.917 12.660 1.00 0.00 N ATOM 610 CA GLU A 44 -7.443 5.994 12.777 1.00 0.00 C ATOM 611 C GLU A 44 -6.768 5.384 11.552 1.00 0.00 C ATOM 612 O GLU A 44 -7.428 5.061 10.564 1.00 0.00 O ATOM 613 CB GLU A 44 -6.973 5.277 14.044 1.00 0.00 C ATOM 614 CG GLU A 44 -7.722 5.704 15.297 1.00 0.00 C ATOM 615 CD GLU A 44 -7.580 7.186 15.584 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.450 7.628 15.881 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.598 7.906 15.510 1.00 0.00 O ATOM 0 H GLU A 44 -9.272 4.974 12.742 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.163 7.045 12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.091 4.202 13.908 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.909 5.465 14.185 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.778 5.459 15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.351 5.135 16.149 1.00 0.00 H new ATOM 624 N ARG A 45 -5.450 5.230 11.621 1.00 0.00 N ATOM 625 CA ARG A 45 -4.688 4.661 10.514 1.00 0.00 C ATOM 626 C ARG A 45 -4.663 3.136 10.591 1.00 0.00 C ATOM 627 O ARG A 45 -4.431 2.562 11.655 1.00 0.00 O ATOM 628 CB ARG A 45 -3.259 5.215 10.512 1.00 0.00 C ATOM 629 CG ARG A 45 -2.358 4.595 11.569 1.00 0.00 C ATOM 630 CD ARG A 45 -1.064 5.377 11.729 1.00 0.00 C ATOM 631 NE ARG A 45 0.071 4.502 12.016 1.00 0.00 N ATOM 632 CZ ARG A 45 1.207 4.917 12.571 1.00 0.00 C ATOM 633 NH1 ARG A 45 1.367 6.194 12.898 1.00 0.00 N ATOM 634 NH2 ARG A 45 2.187 4.053 12.801 1.00 0.00 N ATOM 0 H ARG A 45 -4.887 5.491 12.431 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.179 4.946 9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.817 5.050 9.529 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.297 6.293 10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.884 4.562 12.523 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.130 3.565 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.866 5.941 10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.176 6.102 12.535 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.013 3.514 11.777 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.617 6.863 12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.240 6.506 13.323 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.070 3.071 12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.058 4.371 13.226 1.00 0.00 H new ATOM 648 N GLU A 46 -4.901 2.488 9.455 1.00 0.00 N ATOM 649 CA GLU A 46 -4.903 1.029 9.389 1.00 0.00 C ATOM 650 C GLU A 46 -4.061 0.549 8.213 1.00 0.00 C ATOM 651 O GLU A 46 -4.379 0.828 7.060 1.00 0.00 O ATOM 652 CB GLU A 46 -6.333 0.488 9.248 1.00 0.00 C ATOM 653 CG GLU A 46 -7.402 1.368 9.882 1.00 0.00 C ATOM 654 CD GLU A 46 -8.185 0.648 10.963 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.567 -0.520 10.741 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.416 1.253 12.031 1.00 0.00 O ATOM 0 H GLU A 46 -5.095 2.950 8.566 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.475 0.653 10.318 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.560 0.367 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.380 -0.503 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.932 2.254 10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.089 1.712 9.109 1.00 0.00 H new ATOM 663 N SER A 47 -2.983 -0.170 8.508 1.00 0.00 N ATOM 664 CA SER A 47 -2.106 -0.676 7.474 1.00 0.00 C ATOM 665 C SER A 47 -2.791 -1.745 6.644 1.00 0.00 C ATOM 666 O SER A 47 -3.865 -2.238 6.987 1.00 0.00 O ATOM 667 CB SER A 47 -0.829 -1.242 8.093 1.00 0.00 C ATOM 668 OG SER A 47 -0.268 -2.265 7.288 1.00 0.00 O ATOM 0 H SER A 47 -2.701 -0.412 9.458 1.00 0.00 H new ATOM 0 HA SER A 47 -1.852 0.156 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.101 -0.441 8.224 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.049 -1.638 9.084 1.00 0.00 H new ATOM 0 HG SER A 47 0.548 -2.604 7.712 1.00 0.00 H new ATOM 674 N VAL A 48 -2.142 -2.093 5.552 1.00 0.00 N ATOM 675 CA VAL A 48 -2.653 -3.113 4.640 1.00 0.00 C ATOM 676 C VAL A 48 -1.569 -4.117 4.266 1.00 0.00 C ATOM 677 O VAL A 48 -1.626 -5.280 4.664 1.00 0.00 O ATOM 678 CB VAL A 48 -3.229 -2.498 3.353 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.200 -3.460 2.689 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.903 -1.165 3.643 1.00 0.00 C ATOM 0 H VAL A 48 -1.252 -1.685 5.267 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.454 -3.625 5.174 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.404 -2.315 2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.597 -3.007 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.681 -4.385 2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.020 -3.679 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.302 -0.750 2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.716 -1.315 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.174 -0.473 4.066 1.00 0.00 H new ATOM 690 N ALA A 49 -0.582 -3.668 3.499 1.00 0.00 N ATOM 691 CA ALA A 49 0.508 -4.539 3.076 1.00 0.00 C ATOM 692 C ALA A 49 1.842 -3.805 3.095 1.00 0.00 C ATOM 693 O ALA A 49 1.904 -2.609 2.821 1.00 0.00 O ATOM 694 CB ALA A 49 0.229 -5.097 1.688 1.00 0.00 C ATOM 0 H ALA A 49 -0.514 -2.709 3.158 1.00 0.00 H new ATOM 0 HA ALA A 49 0.572 -5.366 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.051 -5.746 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.698 -5.670 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.134 -4.275 0.978 1.00 0.00 H new ATOM 700 N ALA A 50 2.908 -4.528 3.422 1.00 0.00 N ATOM 701 CA ALA A 50 4.239 -3.937 3.475 1.00 0.00 C ATOM 702 C ALA A 50 5.292 -4.891 2.925 1.00 0.00 C ATOM 703 O ALA A 50 5.224 -6.098 3.141 1.00 0.00 O ATOM 704 CB ALA A 50 4.581 -3.541 4.901 1.00 0.00 C ATOM 0 H ALA A 50 2.876 -5.521 3.654 1.00 0.00 H new ATOM 0 HA ALA A 50 4.236 -3.045 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.578 -3.101 4.927 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.853 -2.814 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.558 -4.424 5.539 1.00 0.00 H new ATOM 710 N ILE A 51 6.268 -4.339 2.215 1.00 0.00 N ATOM 711 CA ILE A 51 7.337 -5.140 1.636 1.00 0.00 C ATOM 712 C ILE A 51 8.703 -4.622 2.075 1.00 0.00 C ATOM 713 O ILE A 51 8.894 -3.417 2.254 1.00 0.00 O ATOM 714 CB ILE A 51 7.263 -5.143 0.096 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.329 -6.072 -0.490 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.420 -3.730 -0.451 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.847 -6.867 -1.684 1.00 0.00 C ATOM 0 H ILE A 51 6.341 -3.339 2.027 1.00 0.00 H new ATOM 0 HA ILE A 51 7.207 -6.160 1.996 1.00 0.00 H new ATOM 0 HB ILE A 51 6.283 -5.516 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 51 9.195 -5.479 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.664 -6.762 0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.365 -3.753 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.622 -3.098 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.385 -3.327 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.654 -7.503 -2.047 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.000 -7.487 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.539 -6.184 -2.476 1.00 0.00 H new ATOM 729 N ASN A 52 9.650 -5.540 2.249 1.00 0.00 N ATOM 730 CA ASN A 52 10.997 -5.173 2.670 1.00 0.00 C ATOM 731 C ASN A 52 11.833 -4.694 1.490 1.00 0.00 C ATOM 732 O ASN A 52 11.307 -4.417 0.412 1.00 0.00 O ATOM 733 CB ASN A 52 11.684 -6.354 3.347 1.00 0.00 C ATOM 734 CG ASN A 52 12.517 -5.935 4.543 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.713 -5.671 4.420 1.00 0.00 O ATOM 736 ND2 ASN A 52 11.887 -5.874 5.710 1.00 0.00 N ATOM 0 H ASN A 52 9.509 -6.540 2.105 1.00 0.00 H new ATOM 0 HA ASN A 52 10.910 -4.353 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.930 -7.073 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.322 -6.862 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.396 -5.600 6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.894 -6.101 5.766 1.00 0.00 H new ATOM 800 N ARG A 57 10.375 -10.933 1.669 1.00 0.00 N ATOM 801 CA ARG A 57 8.962 -11.257 1.826 1.00 0.00 C ATOM 802 C ARG A 57 8.132 -9.997 2.044 1.00 0.00 C ATOM 803 O ARG A 57 8.667 -8.888 2.106 1.00 0.00 O ATOM 804 CB ARG A 57 8.768 -12.221 3.000 1.00 0.00 C ATOM 805 CG ARG A 57 8.283 -13.601 2.579 1.00 0.00 C ATOM 806 CD ARG A 57 9.343 -14.668 2.813 1.00 0.00 C ATOM 807 NE ARG A 57 9.605 -15.452 1.609 1.00 0.00 N ATOM 808 CZ ARG A 57 8.824 -16.442 1.184 1.00 0.00 C ATOM 809 NH1 ARG A 57 7.728 -16.769 1.859 1.00 0.00 N ATOM 810 NH2 ARG A 57 9.139 -17.109 0.082 1.00 0.00 N ATOM 0 HA ARG A 57 8.621 -11.737 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.712 -12.324 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.051 -11.790 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.382 -13.855 3.137 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.011 -13.584 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.267 -14.195 3.146 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.019 -15.332 3.614 1.00 0.00 H new ATOM 0 HE ARG A 57 10.436 -15.227 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.481 -16.260 2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.133 -17.529 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.980 -16.863 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.540 -17.868 -0.244 1.00 0.00 H new ATOM 824 N THR A 58 6.820 -10.176 2.162 1.00 0.00 N ATOM 825 CA THR A 58 5.911 -9.059 2.374 1.00 0.00 C ATOM 826 C THR A 58 5.174 -9.199 3.703 1.00 0.00 C ATOM 827 O THR A 58 5.408 -10.141 4.461 1.00 0.00 O ATOM 828 CB THR A 58 4.904 -8.966 1.226 1.00 0.00 C ATOM 829 OG1 THR A 58 5.301 -9.784 0.140 1.00 0.00 O ATOM 830 CG2 THR A 58 4.726 -7.559 0.700 1.00 0.00 C ATOM 0 H THR A 58 6.363 -11.087 2.114 1.00 0.00 H new ATOM 0 HA THR A 58 6.503 -8.144 2.403 1.00 0.00 H new ATOM 0 HB THR A 58 3.956 -9.303 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.643 -9.711 -0.582 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.999 -7.563 -0.112 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.370 -6.913 1.502 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.681 -7.185 0.330 1.00 0.00 H new ATOM 838 N TYR A 59 4.287 -8.251 3.977 1.00 0.00 N ATOM 839 CA TYR A 59 3.514 -8.251 5.211 1.00 0.00 C ATOM 840 C TYR A 59 2.068 -7.844 4.947 1.00 0.00 C ATOM 841 O TYR A 59 1.754 -6.656 4.892 1.00 0.00 O ATOM 842 CB TYR A 59 4.145 -7.291 6.219 1.00 0.00 C ATOM 843 CG TYR A 59 3.298 -7.052 7.451 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.403 -7.877 8.563 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.390 -6.002 7.496 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.626 -7.661 9.686 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.611 -5.779 8.615 1.00 0.00 C ATOM 848 CZ TYR A 59 1.732 -6.611 9.707 1.00 0.00 C ATOM 849 OH TYR A 59 0.958 -6.392 10.823 1.00 0.00 O ATOM 0 H TYR A 59 4.085 -7.467 3.356 1.00 0.00 H new ATOM 0 HA TYR A 59 3.519 -9.262 5.619 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.113 -7.687 6.527 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.333 -6.336 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.102 -8.700 8.550 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.291 -5.349 6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.719 -8.312 10.543 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.911 -4.957 8.634 1.00 0.00 H new ATOM 0 HH TYR A 59 0.383 -5.613 10.674 1.00 0.00 H new ATOM 859 N TYR A 60 1.193 -8.831 4.790 1.00 0.00 N ATOM 860 CA TYR A 60 -0.214 -8.567 4.539 1.00 0.00 C ATOM 861 C TYR A 60 -0.944 -8.235 5.837 1.00 0.00 C ATOM 862 O TYR A 60 -0.488 -8.588 6.924 1.00 0.00 O ATOM 863 CB TYR A 60 -0.860 -9.778 3.872 1.00 0.00 C ATOM 864 CG TYR A 60 -0.398 -10.004 2.450 1.00 0.00 C ATOM 865 CD1 TYR A 60 0.711 -10.795 2.178 1.00 0.00 C ATOM 866 CD2 TYR A 60 -1.071 -9.426 1.381 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.137 -11.004 0.880 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.651 -9.630 0.080 1.00 0.00 C ATOM 869 CZ TYR A 60 0.453 -10.420 -0.165 1.00 0.00 C ATOM 870 OH TYR A 60 0.874 -10.626 -1.458 1.00 0.00 O ATOM 0 H TYR A 60 1.436 -9.821 4.833 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.289 -7.707 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.640 -10.668 4.462 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.943 -9.651 3.878 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.249 -11.254 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.936 -8.807 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.001 -11.622 0.685 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.184 -9.173 -0.740 1.00 0.00 H new ATOM 0 HH TYR A 60 0.113 -10.905 -2.009 1.00 0.00 H new ATOM 880 N ALA A 61 -2.078 -7.554 5.715 1.00 0.00 N ATOM 881 CA ALA A 61 -2.869 -7.174 6.878 1.00 0.00 C ATOM 882 C ALA A 61 -4.018 -8.150 7.105 1.00 0.00 C ATOM 883 O ALA A 61 -4.456 -8.839 6.182 1.00 0.00 O ATOM 884 CB ALA A 61 -3.402 -5.759 6.712 1.00 0.00 C ATOM 0 H ALA A 61 -2.470 -7.254 4.822 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.221 -7.208 7.754 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.991 -5.487 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.567 -5.066 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.030 -5.709 5.822 1.00 0.00 H new ATOM 890 N SER A 62 -4.506 -8.204 8.340 1.00 0.00 N ATOM 891 CA SER A 62 -5.602 -9.095 8.682 1.00 0.00 C ATOM 892 C SER A 62 -6.895 -8.627 8.030 1.00 0.00 C ATOM 893 O SER A 62 -7.070 -7.438 7.761 1.00 0.00 O ATOM 894 CB SER A 62 -5.776 -9.174 10.200 1.00 0.00 C ATOM 895 OG SER A 62 -5.820 -7.880 10.777 1.00 0.00 O ATOM 0 H SER A 62 -4.159 -7.642 9.117 1.00 0.00 H new ATOM 0 HA SER A 62 -5.363 -10.090 8.306 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.694 -9.712 10.436 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.953 -9.741 10.634 1.00 0.00 H new ATOM 0 HG SER A 62 -5.933 -7.958 11.747 1.00 0.00 H new ATOM 901 N SER A 63 -7.785 -9.579 7.757 1.00 0.00 N ATOM 902 CA SER A 63 -9.065 -9.295 7.110 1.00 0.00 C ATOM 903 C SER A 63 -8.911 -9.302 5.590 1.00 0.00 C ATOM 904 O SER A 63 -9.900 -9.317 4.858 1.00 0.00 O ATOM 905 CB SER A 63 -9.639 -7.952 7.575 1.00 0.00 C ATOM 906 OG SER A 63 -9.398 -7.745 8.956 1.00 0.00 O ATOM 0 H SER A 63 -7.641 -10.565 7.977 1.00 0.00 H new ATOM 0 HA SER A 63 -9.763 -10.081 7.399 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.191 -7.142 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.711 -7.925 7.382 1.00 0.00 H new ATOM 0 HG SER A 63 -8.586 -7.208 9.069 1.00 0.00 H new ATOM 912 N VAL A 64 -7.663 -9.300 5.120 1.00 0.00 N ATOM 913 CA VAL A 64 -7.387 -9.315 3.690 1.00 0.00 C ATOM 914 C VAL A 64 -6.174 -10.189 3.362 1.00 0.00 C ATOM 915 O VAL A 64 -5.705 -10.206 2.224 1.00 0.00 O ATOM 916 CB VAL A 64 -7.149 -7.891 3.148 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.311 -6.980 3.511 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.837 -7.323 3.671 1.00 0.00 C ATOM 0 H VAL A 64 -6.831 -9.288 5.710 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.268 -9.737 3.206 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.083 -7.948 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.125 -5.980 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.231 -7.373 3.078 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.411 -6.933 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.692 -6.318 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.866 -7.283 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.012 -7.961 3.354 1.00 0.00 H new ATOM 928 N ARG A 65 -5.667 -10.909 4.362 1.00 0.00 N ATOM 929 CA ARG A 65 -4.519 -11.770 4.178 1.00 0.00 C ATOM 930 C ARG A 65 -4.881 -12.976 3.334 1.00 0.00 C ATOM 931 O ARG A 65 -5.124 -14.070 3.844 1.00 0.00 O ATOM 932 CB ARG A 65 -3.979 -12.213 5.532 1.00 0.00 C ATOM 933 CG ARG A 65 -2.480 -12.437 5.543 1.00 0.00 C ATOM 934 CD ARG A 65 -2.133 -13.907 5.716 1.00 0.00 C ATOM 935 NE ARG A 65 -0.817 -14.228 5.169 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.568 -14.364 3.869 1.00 0.00 C ATOM 937 NH1 ARG A 65 -1.540 -14.205 2.980 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.658 -14.658 3.457 1.00 0.00 N ATOM 0 H ARG A 65 -6.042 -10.907 5.310 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.745 -11.209 3.654 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.231 -11.460 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.478 -13.135 5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.050 -12.069 4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.032 -11.860 6.351 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.157 -14.163 6.775 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.889 -14.518 5.223 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.044 -14.355 5.822 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.484 -13.977 3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.343 -14.310 1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.409 -14.780 4.137 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.850 -14.762 2.461 1.00 0.00 H new ATOM 952 N GLY A 66 -4.913 -12.751 2.037 1.00 0.00 N ATOM 953 CA GLY A 66 -5.244 -13.801 1.100 1.00 0.00 C ATOM 954 C GLY A 66 -6.139 -13.318 -0.025 1.00 0.00 C ATOM 955 O GLY A 66 -6.538 -14.103 -0.885 1.00 0.00 O ATOM 0 H GLY A 66 -4.713 -11.847 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.326 -14.210 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.740 -14.613 1.631 1.00 0.00 H new ATOM 959 N ARG A 67 -6.461 -12.025 -0.023 1.00 0.00 N ATOM 960 CA ARG A 67 -7.319 -11.457 -1.058 1.00 0.00 C ATOM 961 C ARG A 67 -6.584 -10.389 -1.863 1.00 0.00 C ATOM 962 O ARG A 67 -6.738 -10.307 -3.081 1.00 0.00 O ATOM 963 CB ARG A 67 -8.584 -10.863 -0.435 1.00 0.00 C ATOM 964 CG ARG A 67 -8.316 -9.681 0.479 1.00 0.00 C ATOM 965 CD ARG A 67 -9.610 -9.028 0.938 1.00 0.00 C ATOM 966 NE ARG A 67 -10.546 -10.000 1.497 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.788 -9.702 1.875 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.246 -8.463 1.753 1.00 0.00 N ATOM 969 NH2 ARG A 67 -12.573 -10.647 2.376 1.00 0.00 N ATOM 0 H ARG A 67 -6.143 -11.357 0.679 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.599 -12.263 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.258 -10.549 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.099 -11.639 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.747 -10.013 1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.702 -8.947 -0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.387 -8.268 1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.077 -8.518 0.096 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.230 -10.964 1.604 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.646 -7.733 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.198 -8.240 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.225 -11.601 2.472 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.524 -10.419 2.666 1.00 0.00 H new ATOM 983 N PHE A 68 -5.791 -9.570 -1.179 1.00 0.00 N ATOM 984 CA PHE A 68 -5.040 -8.507 -1.839 1.00 0.00 C ATOM 985 C PHE A 68 -3.663 -8.998 -2.279 1.00 0.00 C ATOM 986 O PHE A 68 -3.151 -9.990 -1.760 1.00 0.00 O ATOM 987 CB PHE A 68 -4.894 -7.301 -0.905 1.00 0.00 C ATOM 988 CG PHE A 68 -6.171 -6.528 -0.681 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.345 -6.868 -1.342 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.192 -5.454 0.196 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.509 -6.153 -1.130 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.354 -4.736 0.410 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.514 -5.086 -0.254 1.00 0.00 C ATOM 0 H PHE A 68 -5.652 -9.622 -0.170 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.594 -8.205 -2.728 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.519 -7.646 0.058 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.143 -6.627 -1.317 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.348 -7.701 -2.030 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.289 -5.175 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.415 -6.429 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.355 -3.902 1.096 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.423 -4.526 -0.088 1.00 0.00 H new ATOM 1003 N THR A 69 -3.071 -8.296 -3.242 1.00 0.00 N ATOM 1004 CA THR A 69 -1.753 -8.656 -3.757 1.00 0.00 C ATOM 1005 C THR A 69 -0.794 -7.477 -3.667 1.00 0.00 C ATOM 1006 O THR A 69 -1.213 -6.321 -3.603 1.00 0.00 O ATOM 1007 CB THR A 69 -1.862 -9.135 -5.205 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.816 -10.176 -5.319 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.553 -9.649 -5.766 1.00 0.00 C ATOM 0 H THR A 69 -3.484 -7.474 -3.682 1.00 0.00 H new ATOM 0 HA THR A 69 -1.359 -9.467 -3.144 1.00 0.00 H new ATOM 0 HB THR A 69 -2.164 -8.258 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.715 -9.812 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.701 -9.973 -6.796 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.192 -8.854 -5.739 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.206 -10.491 -5.167 1.00 0.00 H new ATOM 1017 N ILE A 70 0.497 -7.784 -3.650 1.00 0.00 N ATOM 1018 CA ILE A 70 1.527 -6.762 -3.550 1.00 0.00 C ATOM 1019 C ILE A 70 2.849 -7.262 -4.118 1.00 0.00 C ATOM 1020 O ILE A 70 3.279 -8.381 -3.837 1.00 0.00 O ATOM 1021 CB ILE A 70 1.703 -6.331 -2.084 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.649 -5.132 -1.963 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.181 -7.503 -1.241 1.00 0.00 C ATOM 1024 CD1 ILE A 70 4.084 -5.444 -2.309 1.00 0.00 C ATOM 0 H ILE A 70 0.855 -8.738 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 70 1.212 -5.900 -4.138 1.00 0.00 H new ATOM 0 HB ILE A 70 0.732 -6.012 -1.704 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.294 -4.335 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.607 -4.751 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.301 -7.182 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.448 -8.308 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.137 -7.860 -1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.689 -4.544 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.460 -6.218 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.142 -5.796 -3.339 1.00 0.00 H new ATOM 1036 N SER A 71 3.486 -6.419 -4.921 1.00 0.00 N ATOM 1037 CA SER A 71 4.763 -6.759 -5.539 1.00 0.00 C ATOM 1038 C SER A 71 5.500 -5.501 -5.990 1.00 0.00 C ATOM 1039 O SER A 71 4.889 -4.563 -6.502 1.00 0.00 O ATOM 1040 CB SER A 71 4.545 -7.691 -6.732 1.00 0.00 C ATOM 1041 OG SER A 71 5.566 -8.671 -6.808 1.00 0.00 O ATOM 0 H SER A 71 3.138 -5.491 -5.161 1.00 0.00 H new ATOM 0 HA SER A 71 5.374 -7.270 -4.795 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.574 -8.179 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.526 -7.109 -7.653 1.00 0.00 H new ATOM 0 HG SER A 71 5.402 -9.255 -7.578 1.00 0.00 H new ATOM 1047 N ARG A 72 6.815 -5.488 -5.796 1.00 0.00 N ATOM 1048 CA ARG A 72 7.632 -4.344 -6.183 1.00 0.00 C ATOM 1049 C ARG A 72 7.892 -4.343 -7.686 1.00 0.00 C ATOM 1050 O ARG A 72 7.539 -5.291 -8.388 1.00 0.00 O ATOM 1051 CB ARG A 72 8.961 -4.358 -5.424 1.00 0.00 C ATOM 1052 CG ARG A 72 9.761 -5.635 -5.622 1.00 0.00 C ATOM 1053 CD ARG A 72 11.139 -5.531 -4.989 1.00 0.00 C ATOM 1054 NE ARG A 72 11.826 -4.299 -5.370 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.835 -3.769 -4.683 1.00 0.00 C ATOM 1056 NH1 ARG A 72 13.282 -4.362 -3.583 1.00 0.00 N ATOM 1057 NH2 ARG A 72 13.400 -2.643 -5.097 1.00 0.00 N ATOM 0 H ARG A 72 7.337 -6.256 -5.374 1.00 0.00 H new ATOM 0 HA ARG A 72 7.085 -3.437 -5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.563 -3.508 -5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.764 -4.224 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.221 -6.475 -5.186 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.863 -5.840 -6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.043 -5.572 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.741 -6.389 -5.288 1.00 0.00 H new ATOM 0 HE ARG A 72 11.514 -3.817 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.852 -5.229 -3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.056 -3.951 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.061 -2.183 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.173 -2.237 -4.570 1.00 0.00 H new ATOM 1071 N ASP A 73 8.510 -3.273 -8.174 1.00 0.00 N ATOM 1072 CA ASP A 73 8.817 -3.149 -9.594 1.00 0.00 C ATOM 1073 C ASP A 73 10.268 -3.524 -9.875 1.00 0.00 C ATOM 1074 O ASP A 73 10.585 -4.070 -10.931 1.00 0.00 O ATOM 1075 CB ASP A 73 8.547 -1.722 -10.073 1.00 0.00 C ATOM 1076 CG ASP A 73 8.416 -1.634 -11.580 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.142 -2.675 -12.214 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.588 -0.525 -12.128 1.00 0.00 O ATOM 0 H ASP A 73 8.808 -2.479 -7.607 1.00 0.00 H new ATOM 0 HA ASP A 73 8.171 -3.838 -10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.632 -1.353 -9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.357 -1.071 -9.743 1.00 0.00 H new ATOM 1083 N ASN A 74 11.146 -3.225 -8.923 1.00 0.00 N ATOM 1084 CA ASN A 74 12.565 -3.528 -9.067 1.00 0.00 C ATOM 1085 C ASN A 74 13.167 -2.773 -10.248 1.00 0.00 C ATOM 1086 O ASN A 74 14.130 -3.230 -10.864 1.00 0.00 O ATOM 1087 CB ASN A 74 12.771 -5.035 -9.246 1.00 0.00 C ATOM 1088 CG ASN A 74 13.488 -5.664 -8.068 1.00 0.00 C ATOM 1089 OD1 ASN A 74 13.090 -6.720 -7.575 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.553 -5.016 -7.608 1.00 0.00 N ATOM 0 H ASN A 74 10.899 -2.773 -8.043 1.00 0.00 H new ATOM 0 HA ASN A 74 13.074 -3.206 -8.159 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.803 -5.518 -9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.344 -5.215 -10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.075 -5.391 -6.816 1.00 0.00 H new ATOM 0 HD22 ASN A 74 14.848 -4.144 -8.047 1.00 0.00 H new ATOM 1097 N ALA A 75 12.596 -1.612 -10.558 1.00 0.00 N ATOM 1098 CA ALA A 75 13.078 -0.793 -11.661 1.00 0.00 C ATOM 1099 C ALA A 75 13.440 0.608 -11.182 1.00 0.00 C ATOM 1100 O ALA A 75 14.585 1.042 -11.309 1.00 0.00 O ATOM 1101 CB ALA A 75 12.032 -0.724 -12.764 1.00 0.00 C ATOM 0 H ALA A 75 11.798 -1.219 -10.059 1.00 0.00 H new ATOM 0 HA ALA A 75 13.979 -1.257 -12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.406 -0.108 -13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.824 -1.729 -13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.116 -0.285 -12.369 1.00 0.00 H new ATOM 1107 N LYS A 76 12.457 1.309 -10.628 1.00 0.00 N ATOM 1108 CA LYS A 76 12.670 2.661 -10.125 1.00 0.00 C ATOM 1109 C LYS A 76 12.175 2.787 -8.687 1.00 0.00 C ATOM 1110 O LYS A 76 11.773 3.866 -8.251 1.00 0.00 O ATOM 1111 CB LYS A 76 11.958 3.680 -11.016 1.00 0.00 C ATOM 1112 CG LYS A 76 10.532 3.290 -11.370 1.00 0.00 C ATOM 1113 CD LYS A 76 9.825 4.400 -12.131 1.00 0.00 C ATOM 1114 CE LYS A 76 8.319 4.343 -11.928 1.00 0.00 C ATOM 1115 NZ LYS A 76 7.579 4.778 -13.145 1.00 0.00 N ATOM 0 H LYS A 76 11.504 0.963 -10.516 1.00 0.00 H new ATOM 0 HA LYS A 76 13.741 2.865 -10.142 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.947 4.646 -10.511 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.529 3.808 -11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.541 2.382 -11.973 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.979 3.062 -10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.202 5.367 -11.799 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.053 4.317 -13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.026 3.326 -11.669 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.041 4.979 -11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.556 4.725 -12.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.840 5.757 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.824 4.156 -13.941 1.00 0.00 H new ATOM 1129 N LYS A 77 12.206 1.676 -7.956 1.00 0.00 N ATOM 1130 CA LYS A 77 11.760 1.657 -6.568 1.00 0.00 C ATOM 1131 C LYS A 77 10.262 1.936 -6.478 1.00 0.00 C ATOM 1132 O LYS A 77 9.831 2.904 -5.851 1.00 0.00 O ATOM 1133 CB LYS A 77 12.546 2.680 -5.739 1.00 0.00 C ATOM 1134 CG LYS A 77 13.429 2.047 -4.675 1.00 0.00 C ATOM 1135 CD LYS A 77 12.613 1.231 -3.685 1.00 0.00 C ATOM 1136 CE LYS A 77 11.723 2.120 -2.831 1.00 0.00 C ATOM 1137 NZ LYS A 77 10.355 2.249 -3.402 1.00 0.00 N ATOM 0 H LYS A 77 12.536 0.776 -8.304 1.00 0.00 H new ATOM 0 HA LYS A 77 11.948 0.663 -6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.167 3.277 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.845 3.363 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.171 1.406 -5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.975 2.826 -4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.999 0.510 -4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.283 0.660 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.658 1.708 -1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.174 3.108 -2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.677 2.444 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.337 3.030 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.093 1.363 -3.880 1.00 0.00 H new ATOM 1151 N THR A 78 9.472 1.078 -7.114 1.00 0.00 N ATOM 1152 CA THR A 78 8.022 1.228 -7.110 1.00 0.00 C ATOM 1153 C THR A 78 7.344 -0.020 -6.556 1.00 0.00 C ATOM 1154 O THR A 78 7.836 -1.136 -6.725 1.00 0.00 O ATOM 1155 CB THR A 78 7.514 1.510 -8.525 1.00 0.00 C ATOM 1156 OG1 THR A 78 8.083 2.704 -9.034 1.00 0.00 O ATOM 1157 CG2 THR A 78 6.008 1.649 -8.607 1.00 0.00 C ATOM 0 H THR A 78 9.811 0.272 -7.639 1.00 0.00 H new ATOM 0 HA THR A 78 7.773 2.071 -6.465 1.00 0.00 H new ATOM 0 HB THR A 78 7.815 0.645 -9.116 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.403 3.204 -9.532 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.717 1.848 -9.638 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.538 0.725 -8.269 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.684 2.474 -7.973 1.00 0.00 H new ATOM 1165 N VAL A 79 6.207 0.179 -5.899 1.00 0.00 N ATOM 1166 CA VAL A 79 5.451 -0.925 -5.324 1.00 0.00 C ATOM 1167 C VAL A 79 4.053 -0.995 -5.930 1.00 0.00 C ATOM 1168 O VAL A 79 3.411 0.033 -6.149 1.00 0.00 O ATOM 1169 CB VAL A 79 5.337 -0.795 -3.794 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.716 -0.801 -3.153 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.570 0.463 -3.415 1.00 0.00 C ATOM 0 H VAL A 79 5.788 1.097 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 79 5.993 -1.842 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 79 4.782 -1.655 -3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.615 -0.708 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.224 -1.736 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.299 0.037 -3.536 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.502 0.534 -2.329 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.091 1.338 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.567 0.419 -3.840 1.00 0.00 H new ATOM 1181 N TYR A 80 3.587 -2.208 -6.204 1.00 0.00 N ATOM 1182 CA TYR A 80 2.267 -2.401 -6.791 1.00 0.00 C ATOM 1183 C TYR A 80 1.415 -3.332 -5.937 1.00 0.00 C ATOM 1184 O TYR A 80 1.732 -4.511 -5.779 1.00 0.00 O ATOM 1185 CB TYR A 80 2.391 -2.965 -8.204 1.00 0.00 C ATOM 1186 CG TYR A 80 3.334 -2.192 -9.082 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.055 -0.883 -9.446 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.501 -2.774 -9.552 1.00 0.00 C ATOM 1189 CE1 TYR A 80 3.916 -0.175 -10.256 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.366 -2.073 -10.361 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.069 -0.775 -10.710 1.00 0.00 C ATOM 1192 OH TYR A 80 5.930 -0.071 -11.519 1.00 0.00 O ATOM 0 H TYR A 80 4.103 -3.071 -6.029 1.00 0.00 H new ATOM 0 HA TYR A 80 1.776 -1.429 -6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.729 -3.999 -8.144 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.405 -2.978 -8.668 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.151 -0.412 -9.090 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.735 -3.793 -9.279 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.688 0.844 -10.533 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.272 -2.538 -10.720 1.00 0.00 H new ATOM 0 HH TYR A 80 5.573 0.829 -11.671 1.00 0.00 H new ATOM 1202 N LEU A 81 0.326 -2.797 -5.395 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.578 -3.580 -4.566 1.00 0.00 C ATOM 1204 C LEU A 81 -1.918 -3.759 -5.274 1.00 0.00 C ATOM 1205 O LEU A 81 -2.666 -2.800 -5.467 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.739 -2.911 -3.186 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.173 -2.627 -2.712 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.329 -2.987 -1.242 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.526 -1.166 -2.941 1.00 0.00 C ATOM 0 H LEU A 81 0.049 -1.823 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.158 -4.573 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.256 -3.546 -2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.194 -1.967 -3.201 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.858 -3.245 -3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.350 -2.780 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.113 -4.046 -1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.635 -2.394 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.545 -0.980 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.836 -0.533 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.451 -0.936 -4.004 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.203 -4.995 -5.671 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.436 -5.315 -6.367 1.00 0.00 C ATOM 1223 C GLN A 82 -4.494 -5.816 -5.390 1.00 0.00 C ATOM 1224 O GLN A 82 -4.506 -6.990 -5.022 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.158 -6.372 -7.428 1.00 0.00 C ATOM 1226 CG GLN A 82 -3.958 -6.185 -8.707 1.00 0.00 C ATOM 1227 CD GLN A 82 -4.650 -7.456 -9.165 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -3.997 -8.596 -8.968 1.00 0.00 O flip ATOM 1229 NE2 GLN A 82 -5.759 -7.414 -9.695 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.588 -5.795 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.817 -4.412 -6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.095 -6.359 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.378 -7.356 -7.014 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.705 -5.407 -8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.293 -5.835 -9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.227 -6.518 -9.828 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.211 -8.276 -10.002 1.00 0.00 H new ATOM 1238 N MET A 83 -5.376 -4.918 -4.969 1.00 0.00 N ATOM 1239 CA MET A 83 -6.432 -5.270 -4.028 1.00 0.00 C ATOM 1240 C MET A 83 -7.561 -6.024 -4.721 1.00 0.00 C ATOM 1241 O MET A 83 -8.536 -5.424 -5.171 1.00 0.00 O ATOM 1242 CB MET A 83 -6.983 -4.014 -3.355 1.00 0.00 C ATOM 1243 CG MET A 83 -5.906 -3.071 -2.860 1.00 0.00 C ATOM 1244 SD MET A 83 -6.363 -1.336 -3.041 1.00 0.00 S ATOM 1245 CE MET A 83 -7.944 -1.312 -2.201 1.00 0.00 C ATOM 0 H MET A 83 -5.381 -3.942 -5.264 1.00 0.00 H new ATOM 0 HA MET A 83 -5.999 -5.923 -3.270 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.622 -3.484 -4.061 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.612 -4.308 -2.514 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.700 -3.281 -1.810 1.00 0.00 H new ATOM 0 HG3 MET A 83 -4.984 -3.259 -3.410 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.060 -0.367 -1.670 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.746 -1.418 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.990 -2.136 -1.489 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.424 -7.343 -4.801 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.433 -8.177 -5.434 1.00 0.00 C ATOM 1257 C ASN A 84 -9.575 -8.469 -4.467 1.00 0.00 C ATOM 1258 O ASN A 84 -9.527 -8.078 -3.301 1.00 0.00 O ATOM 1259 CB ASN A 84 -7.827 -9.496 -5.934 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.308 -9.498 -5.964 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.653 -9.186 -4.969 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.740 -9.853 -7.110 1.00 0.00 N ATOM 0 H ASN A 84 -6.622 -7.856 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.824 -7.628 -6.290 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.170 -10.309 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.202 -9.700 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.723 -9.875 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.320 -10.104 -7.910 1.00 0.00 H new ATOM 1269 N SER A 85 -10.597 -9.165 -4.963 1.00 0.00 N ATOM 1270 CA SER A 85 -11.763 -9.527 -4.157 1.00 0.00 C ATOM 1271 C SER A 85 -12.148 -8.412 -3.185 1.00 0.00 C ATOM 1272 O SER A 85 -12.356 -8.654 -1.995 1.00 0.00 O ATOM 1273 CB SER A 85 -11.480 -10.816 -3.388 1.00 0.00 C ATOM 1274 OG SER A 85 -12.658 -11.590 -3.237 1.00 0.00 O ATOM 0 H SER A 85 -10.641 -9.492 -5.928 1.00 0.00 H new ATOM 0 HA SER A 85 -12.603 -9.680 -4.834 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.724 -11.398 -3.914 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.071 -10.575 -2.407 1.00 0.00 H new ATOM 0 HG SER A 85 -12.449 -12.410 -2.743 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.236 -7.190 -3.699 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.590 -6.041 -2.876 1.00 0.00 C ATOM 1282 C LEU A 86 -14.022 -6.156 -2.365 1.00 0.00 C ATOM 1283 O LEU A 86 -14.845 -6.866 -2.943 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.417 -4.744 -3.671 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.494 -3.708 -3.024 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.056 -3.927 -3.463 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.951 -2.299 -3.370 1.00 0.00 C ATOM 0 H LEU A 86 -12.067 -6.970 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.920 -6.022 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.027 -4.990 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.398 -4.293 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.544 -3.830 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.415 -3.181 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.732 -4.924 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.988 -3.833 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.284 -1.575 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.931 -2.165 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.966 -2.146 -3.005 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.309 -5.452 -1.277 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.639 -5.471 -0.679 1.00 0.00 C ATOM 1301 C LYS A 87 -16.149 -4.049 -0.446 1.00 0.00 C ATOM 1302 O LYS A 87 -15.418 -3.080 -0.649 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.609 -6.244 0.642 1.00 0.00 C ATOM 1304 CG LYS A 87 -16.321 -7.586 0.576 1.00 0.00 C ATOM 1305 CD LYS A 87 -15.500 -8.687 1.229 1.00 0.00 C ATOM 1306 CE LYS A 87 -16.305 -9.968 1.381 1.00 0.00 C ATOM 1307 NZ LYS A 87 -16.741 -10.187 2.788 1.00 0.00 N ATOM 0 H LYS A 87 -13.637 -4.859 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.320 -5.970 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.572 -6.406 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.069 -5.635 1.420 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.289 -7.510 1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.515 -7.845 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.611 -8.884 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.156 -8.354 2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.180 -9.926 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -15.704 -10.816 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.287 -11.070 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.906 -10.253 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.336 -9.391 3.095 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.417 -3.903 -0.016 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.018 -2.592 0.239 1.00 0.00 C ATOM 1323 C PRO A 88 -17.604 -1.996 1.583 1.00 0.00 C ATOM 1324 O PRO A 88 -18.149 -0.979 2.014 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.514 -2.895 0.226 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.613 -4.298 0.719 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.366 -5.004 0.248 1.00 0.00 C ATOM 0 HA PRO A 88 -17.703 -1.851 -0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.064 -2.208 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.931 -2.796 -0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.686 -4.323 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.506 -4.785 0.328 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -17.984 -5.689 1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.555 -5.594 -0.649 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.637 -2.627 2.239 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.150 -2.153 3.530 1.00 0.00 C ATOM 1337 C GLU A 89 -14.706 -1.658 3.426 1.00 0.00 C ATOM 1338 O GLU A 89 -14.151 -1.136 4.393 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.246 -3.268 4.574 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.487 -3.178 5.446 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.854 -4.507 6.077 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -17.266 -4.849 7.125 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -18.730 -5.205 5.525 1.00 0.00 O ATOM 0 H GLU A 89 -16.174 -3.469 1.898 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.777 -1.317 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.238 -4.232 4.066 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.362 -3.236 5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.322 -2.440 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.324 -2.822 4.845 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.103 -1.825 2.251 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.734 -1.399 2.024 1.00 0.00 C ATOM 1352 C ASP A 90 -12.665 0.092 1.700 1.00 0.00 C ATOM 1353 O ASP A 90 -11.586 0.685 1.698 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.128 -2.210 0.880 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.339 -3.701 1.052 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -13.510 -4.133 1.103 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.334 -4.438 1.135 1.00 0.00 O ATOM 0 H ASP A 90 -14.548 -2.255 1.441 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.165 -1.571 2.938 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.571 -1.890 -0.063 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.060 -2.002 0.817 1.00 0.00 H new ATOM 1362 N THR A 91 -13.821 0.695 1.427 1.00 0.00 N ATOM 1363 CA THR A 91 -13.895 2.110 1.102 1.00 0.00 C ATOM 1364 C THR A 91 -13.121 2.957 2.112 1.00 0.00 C ATOM 1365 O THR A 91 -13.582 3.179 3.231 1.00 0.00 O ATOM 1366 CB THR A 91 -15.359 2.532 1.062 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.045 1.839 0.035 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.563 4.015 0.837 1.00 0.00 C ATOM 0 H THR A 91 -14.722 0.218 1.426 1.00 0.00 H new ATOM 0 HA THR A 91 -13.436 2.272 0.126 1.00 0.00 H new ATOM 0 HB THR A 91 -15.756 2.284 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.984 2.119 0.022 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.630 4.237 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.088 4.574 1.643 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.118 4.303 -0.115 1.00 0.00 H new ATOM 1376 N ALA A 92 -11.941 3.425 1.708 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.110 4.246 2.585 1.00 0.00 C ATOM 1378 C ALA A 92 -9.932 4.851 1.828 1.00 0.00 C ATOM 1379 O ALA A 92 -9.625 4.443 0.708 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.614 3.420 3.762 1.00 0.00 C ATOM 0 H ALA A 92 -11.542 3.251 0.786 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.723 5.066 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.996 4.043 4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.467 3.044 4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.024 2.581 3.394 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.274 5.826 2.450 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.131 6.486 1.840 1.00 0.00 C ATOM 1388 C VAL A 93 -6.886 5.603 1.910 1.00 0.00 C ATOM 1389 O VAL A 93 -6.282 5.440 2.970 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.860 7.846 2.515 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.271 7.669 3.908 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -6.953 8.705 1.647 1.00 0.00 C ATOM 0 H VAL A 93 -9.516 6.174 3.378 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.369 6.660 0.791 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.815 8.359 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.092 8.647 4.355 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.969 7.108 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.329 7.125 3.838 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.774 9.660 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -6.003 8.192 1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.431 8.879 0.683 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.515 5.021 0.776 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.360 4.148 0.708 1.00 0.00 C ATOM 1404 C TYR A 94 -4.071 4.949 0.562 1.00 0.00 C ATOM 1405 O TYR A 94 -3.728 5.401 -0.530 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.525 3.190 -0.466 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.159 1.873 -0.082 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.456 1.828 0.415 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.464 0.678 -0.213 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.042 0.629 0.771 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.045 -0.526 0.140 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.333 -0.545 0.632 1.00 0.00 C ATOM 1413 OH TYR A 94 -7.914 -1.741 0.985 1.00 0.00 O ATOM 0 H TYR A 94 -7.003 5.142 -0.111 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.292 3.582 1.637 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.135 3.668 -1.233 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.548 2.999 -0.909 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.015 2.746 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.454 0.689 -0.596 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.051 0.611 1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.492 -1.448 0.031 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.798 -1.811 0.568 1.00 0.00 H new ATOM 1423 N THR A 95 -3.359 5.123 1.671 1.00 0.00 N ATOM 1424 CA THR A 95 -2.106 5.872 1.662 1.00 0.00 C ATOM 1425 C THR A 95 -0.914 4.942 1.860 1.00 0.00 C ATOM 1426 O THR A 95 -0.931 4.074 2.730 1.00 0.00 O ATOM 1427 CB THR A 95 -2.120 6.944 2.753 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.302 7.721 2.678 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.943 7.891 2.676 1.00 0.00 C ATOM 0 H THR A 95 -3.627 4.757 2.585 1.00 0.00 H new ATOM 0 HA THR A 95 -2.008 6.355 0.690 1.00 0.00 H new ATOM 0 HB THR A 95 -2.066 6.398 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.293 8.400 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.014 8.626 3.478 1.00 0.00 H new ATOM 0 HG22 THR A 95 -0.016 7.328 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.950 8.402 1.713 1.00 0.00 H new ATOM 1437 N CYS A 96 0.123 5.129 1.048 1.00 0.00 N ATOM 1438 CA CYS A 96 1.321 4.302 1.141 1.00 0.00 C ATOM 1439 C CYS A 96 2.395 4.987 1.978 1.00 0.00 C ATOM 1440 O CYS A 96 2.518 6.212 1.968 1.00 0.00 O ATOM 1441 CB CYS A 96 1.865 3.984 -0.255 1.00 0.00 C ATOM 1442 SG CYS A 96 2.308 5.453 -1.238 1.00 0.00 S ATOM 0 H CYS A 96 0.157 5.843 0.321 1.00 0.00 H new ATOM 0 HA CYS A 96 1.046 3.369 1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.746 3.350 -0.153 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.118 3.407 -0.801 1.00 0.00 H new ATOM 1447 N GLY A 97 3.168 4.186 2.705 1.00 0.00 N ATOM 1448 CA GLY A 97 4.222 4.729 3.542 1.00 0.00 C ATOM 1449 C GLY A 97 5.483 3.888 3.508 1.00 0.00 C ATOM 1450 O GLY A 97 5.550 2.883 2.797 1.00 0.00 O ATOM 0 H GLY A 97 3.083 3.170 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.456 5.742 3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.865 4.801 4.569 1.00 0.00 H new ATOM 1454 N ALA A 98 6.485 4.302 4.277 1.00 0.00 N ATOM 1455 CA ALA A 98 7.754 3.588 4.334 1.00 0.00 C ATOM 1456 C ALA A 98 8.193 3.358 5.772 1.00 0.00 C ATOM 1457 O ALA A 98 7.607 3.901 6.708 1.00 0.00 O ATOM 1458 CB ALA A 98 8.820 4.352 3.566 1.00 0.00 C ATOM 0 H ALA A 98 6.442 5.130 4.870 1.00 0.00 H new ATOM 0 HA ALA A 98 7.616 2.612 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.764 3.809 3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.515 4.455 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.947 5.341 4.006 1.00 0.00 H new ATOM 1464 N GLY A 99 9.227 2.544 5.937 1.00 0.00 N ATOM 1465 CA GLY A 99 9.730 2.247 7.264 1.00 0.00 C ATOM 1466 C GLY A 99 11.164 2.694 7.462 1.00 0.00 C ATOM 1467 O GLY A 99 11.826 3.122 6.517 1.00 0.00 O ATOM 0 H GLY A 99 9.727 2.084 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.097 2.735 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.661 1.174 7.442 1.00 0.00 H new ATOM 1471 N GLU A 100 11.641 2.594 8.698 1.00 0.00 N ATOM 1472 CA GLU A 100 13.004 2.985 9.030 1.00 0.00 C ATOM 1473 C GLU A 100 13.452 2.314 10.324 1.00 0.00 C ATOM 1474 O GLU A 100 12.863 2.531 11.384 1.00 0.00 O ATOM 1475 CB GLU A 100 13.103 4.504 9.169 1.00 0.00 C ATOM 1476 CG GLU A 100 12.886 5.252 7.863 1.00 0.00 C ATOM 1477 CD GLU A 100 13.198 6.731 7.981 1.00 0.00 C ATOM 1478 OE1 GLU A 100 14.304 7.069 8.453 1.00 0.00 O ATOM 1479 OE2 GLU A 100 12.335 7.551 7.602 1.00 0.00 O ATOM 0 H GLU A 100 11.100 2.244 9.489 1.00 0.00 H new ATOM 0 HA GLU A 100 13.660 2.661 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.367 4.842 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.085 4.761 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 100 13.514 4.812 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.851 5.127 7.544 1.00 0.00 H new ATOM 1486 N GLY A 101 14.492 1.492 10.231 1.00 0.00 N ATOM 1487 CA GLY A 101 14.995 0.798 11.397 1.00 0.00 C ATOM 1488 C GLY A 101 13.971 -0.142 12.006 1.00 0.00 C ATOM 1489 O GLY A 101 14.123 -0.578 13.147 1.00 0.00 O ATOM 0 H GLY A 101 14.995 1.295 9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.884 0.231 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.302 1.529 12.145 1.00 0.00 H new ATOM 1493 N GLY A 102 12.924 -0.456 11.245 1.00 0.00 N ATOM 1494 CA GLY A 102 11.890 -1.347 11.738 1.00 0.00 C ATOM 1495 C GLY A 102 10.591 -0.624 12.042 1.00 0.00 C ATOM 1496 O GLY A 102 9.556 -1.258 12.248 1.00 0.00 O ATOM 0 H GLY A 102 12.775 -0.109 10.297 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.703 -2.125 10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.244 -1.844 12.641 1.00 0.00 H new ATOM 1500 N THR A 103 10.643 0.705 12.078 1.00 0.00 N ATOM 1501 CA THR A 103 9.470 1.511 12.364 1.00 0.00 C ATOM 1502 C THR A 103 8.842 2.028 11.070 1.00 0.00 C ATOM 1503 O THR A 103 9.335 1.751 9.977 1.00 0.00 O ATOM 1504 CB THR A 103 9.878 2.679 13.256 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.772 2.244 14.265 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.719 3.369 13.940 1.00 0.00 C ATOM 0 H THR A 103 11.492 1.245 11.911 1.00 0.00 H new ATOM 0 HA THR A 103 8.728 0.898 12.876 1.00 0.00 H new ATOM 0 HB THR A 103 10.346 3.396 12.582 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.026 3.005 14.828 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.094 4.187 14.555 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.036 3.764 13.188 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.191 2.654 14.571 1.00 0.00 H new ATOM 1514 N TRP A 104 7.756 2.782 11.201 1.00 0.00 N ATOM 1515 CA TRP A 104 7.065 3.339 10.042 1.00 0.00 C ATOM 1516 C TRP A 104 6.638 4.778 10.306 1.00 0.00 C ATOM 1517 O TRP A 104 5.645 5.027 10.991 1.00 0.00 O ATOM 1518 CB TRP A 104 5.846 2.488 9.689 1.00 0.00 C ATOM 1519 CG TRP A 104 6.198 1.084 9.306 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.387 0.029 10.151 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.408 0.582 7.981 1.00 0.00 C ATOM 1522 NE1 TRP A 104 6.700 -1.100 9.433 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.718 -0.786 8.099 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.361 1.156 6.707 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 6.981 -1.587 6.990 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.623 0.359 5.608 1.00 0.00 C ATOM 1527 CH2 TRP A 104 6.929 -0.999 5.756 1.00 0.00 C ATOM 0 H TRP A 104 7.334 3.022 12.098 1.00 0.00 H new ATOM 0 HA TRP A 104 7.757 3.332 9.200 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.167 2.466 10.542 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.309 2.959 8.866 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.303 0.075 11.227 1.00 0.00 H new ATOM 0 HE1 TRP A 104 6.888 -2.021 9.828 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.124 2.203 6.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.218 -2.635 7.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.591 0.791 4.619 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.128 -1.595 4.878 1.00 0.00 H new ATOM 1538 N ASP A 105 7.397 5.723 9.763 1.00 0.00 N ATOM 1539 CA ASP A 105 7.103 7.140 9.945 1.00 0.00 C ATOM 1540 C ASP A 105 6.930 7.855 8.599 1.00 0.00 C ATOM 1541 O ASP A 105 6.525 9.017 8.558 1.00 0.00 O ATOM 1542 CB ASP A 105 8.214 7.795 10.770 1.00 0.00 C ATOM 1543 CG ASP A 105 8.262 9.307 10.623 1.00 0.00 C ATOM 1544 OD1 ASP A 105 7.569 10.001 11.396 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.993 9.794 9.734 1.00 0.00 O ATOM 0 H ASP A 105 8.221 5.534 9.193 1.00 0.00 H new ATOM 0 HA ASP A 105 6.159 7.230 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.072 7.544 11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.175 7.377 10.469 1.00 0.00 H new ATOM 1550 N SER A 106 7.235 7.164 7.502 1.00 0.00 N ATOM 1551 CA SER A 106 7.108 7.752 6.174 1.00 0.00 C ATOM 1552 C SER A 106 5.729 7.476 5.580 1.00 0.00 C ATOM 1553 O SER A 106 5.185 6.382 5.730 1.00 0.00 O ATOM 1554 CB SER A 106 8.197 7.207 5.247 1.00 0.00 C ATOM 1555 OG SER A 106 9.141 8.213 4.923 1.00 0.00 O ATOM 0 H SER A 106 7.570 6.201 7.508 1.00 0.00 H new ATOM 0 HA SER A 106 7.228 8.831 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.703 6.370 5.728 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.743 6.822 4.334 1.00 0.00 H new ATOM 0 HG SER A 106 9.827 7.839 4.331 1.00 0.00 H new ATOM 1561 N TRP A 107 5.174 8.475 4.903 1.00 0.00 N ATOM 1562 CA TRP A 107 3.861 8.346 4.281 1.00 0.00 C ATOM 1563 C TRP A 107 3.827 9.061 2.936 1.00 0.00 C ATOM 1564 O TRP A 107 4.710 9.860 2.622 1.00 0.00 O ATOM 1565 CB TRP A 107 2.778 8.915 5.197 1.00 0.00 C ATOM 1566 CG TRP A 107 2.864 8.414 6.605 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.641 8.918 7.606 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.148 7.310 7.169 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.453 8.196 8.759 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.540 7.203 8.517 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.212 6.402 6.666 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.029 6.224 9.366 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.705 5.431 7.510 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.115 5.349 8.847 1.00 0.00 C ATOM 0 H TRP A 107 5.614 9.386 4.771 1.00 0.00 H new ATOM 0 HA TRP A 107 3.668 7.286 4.118 1.00 0.00 H new ATOM 0 HB2 TRP A 107 2.851 10.003 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.799 8.663 4.789 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.307 9.762 7.506 1.00 0.00 H new ATOM 0 HE1 TRP A 107 3.917 8.370 9.650 1.00 0.00 H new ATOM 0 HE3 TRP A 107 0.890 6.458 5.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.343 6.158 10.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -0.019 4.724 7.132 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.701 4.579 9.481 1.00 0.00 H new ATOM 1585 N GLY A 108 2.802 8.769 2.146 1.00 0.00 N ATOM 1586 CA GLY A 108 2.667 9.391 0.842 1.00 0.00 C ATOM 1587 C GLY A 108 1.525 10.387 0.789 1.00 0.00 C ATOM 1588 O GLY A 108 1.195 11.016 1.794 1.00 0.00 O ATOM 0 H GLY A 108 2.060 8.111 2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.598 9.897 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.507 8.619 0.090 1.00 0.00 H new ATOM 1592 N GLN A 109 0.917 10.528 -0.384 1.00 0.00 N ATOM 1593 CA GLN A 109 -0.197 11.451 -0.561 1.00 0.00 C ATOM 1594 C GLN A 109 -1.514 10.784 -0.183 1.00 0.00 C ATOM 1595 O GLN A 109 -2.254 11.281 0.665 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.255 11.944 -2.007 1.00 0.00 C ATOM 1597 CG GLN A 109 -1.387 12.924 -2.272 1.00 0.00 C ATOM 1598 CD GLN A 109 -0.891 14.336 -2.518 1.00 0.00 C ATOM 1599 OE1 GLN A 109 -0.848 14.801 -3.657 1.00 0.00 O ATOM 1600 NE2 GLN A 109 -0.515 15.027 -1.448 1.00 0.00 N ATOM 0 H GLN A 109 1.177 10.015 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.040 12.306 0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.693 12.420 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.366 11.086 -2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.958 12.588 -3.137 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.068 12.925 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.567 14.602 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -0.174 15.983 -1.552 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.797 9.650 -0.817 1.00 0.00 N ATOM 1610 CA GLY A 110 -3.022 8.926 -0.533 1.00 0.00 C ATOM 1611 C GLY A 110 -3.932 8.817 -1.740 1.00 0.00 C ATOM 1612 O GLY A 110 -3.929 9.687 -2.612 1.00 0.00 O ATOM 0 H GLY A 110 -1.199 9.220 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.774 7.925 -0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.556 9.427 0.275 1.00 0.00 H new ATOM 1616 N THR A 111 -4.717 7.746 -1.785 1.00 0.00 N ATOM 1617 CA THR A 111 -5.646 7.520 -2.886 1.00 0.00 C ATOM 1618 C THR A 111 -6.899 6.808 -2.386 1.00 0.00 C ATOM 1619 O THR A 111 -6.845 5.648 -1.978 1.00 0.00 O ATOM 1620 CB THR A 111 -4.978 6.698 -3.991 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.832 6.584 -5.116 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.604 5.297 -3.557 1.00 0.00 C ATOM 0 H THR A 111 -4.728 7.019 -1.070 1.00 0.00 H new ATOM 0 HA THR A 111 -5.933 8.488 -3.297 1.00 0.00 H new ATOM 0 HB THR A 111 -4.065 7.239 -4.239 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.302 6.351 -5.907 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.135 4.771 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.906 5.349 -2.721 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.501 4.760 -3.248 1.00 0.00 H new ATOM 1630 N GLN A 112 -8.024 7.513 -2.411 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.284 6.947 -1.950 1.00 0.00 C ATOM 1632 C GLN A 112 -9.682 5.743 -2.792 1.00 0.00 C ATOM 1633 O GLN A 112 -9.515 5.734 -4.012 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.387 8.018 -1.964 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.811 7.483 -2.084 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.466 7.285 -0.735 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.698 6.789 0.225 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.650 7.574 -0.557 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.089 8.475 -2.745 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.151 6.603 -0.924 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.313 8.605 -1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.200 8.698 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.408 8.176 -2.677 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.796 6.535 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.203 7.953 -1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.077 7.434 0.359 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.215 4.731 -2.122 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.650 3.515 -2.782 1.00 0.00 C ATOM 1649 C VAL A 113 -12.144 3.309 -2.565 1.00 0.00 C ATOM 1650 O VAL A 113 -12.560 2.809 -1.523 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.876 2.302 -2.235 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.516 0.992 -2.677 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.419 2.362 -2.667 1.00 0.00 C ATOM 0 H VAL A 113 -10.356 4.732 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.451 3.610 -3.849 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.917 2.340 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.946 0.155 -2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.540 0.945 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.520 0.938 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.886 1.497 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.362 2.357 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.963 3.275 -2.284 1.00 0.00 H new ATOM 1663 N THR A 114 -12.946 3.709 -3.546 1.00 0.00 N ATOM 1664 CA THR A 114 -14.394 3.575 -3.449 1.00 0.00 C ATOM 1665 C THR A 114 -14.855 2.198 -3.915 1.00 0.00 C ATOM 1666 O THR A 114 -14.403 1.695 -4.943 1.00 0.00 O ATOM 1667 CB THR A 114 -15.083 4.662 -4.276 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.651 5.949 -3.870 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.592 4.630 -4.169 1.00 0.00 C ATOM 0 H THR A 114 -12.618 4.128 -4.416 1.00 0.00 H new ATOM 0 HA THR A 114 -14.671 3.690 -2.401 1.00 0.00 H new ATOM 0 HB THR A 114 -14.804 4.459 -5.310 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.371 6.597 -4.018 1.00 0.00 H new ATOM 0 HG21 THR A 114 -17.017 5.427 -4.779 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.961 3.667 -4.521 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.886 4.773 -3.129 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.763 1.598 -3.152 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.295 0.289 -3.481 1.00 0.00 C ATOM 1679 C VAL A 115 -17.816 0.307 -3.410 1.00 0.00 C ATOM 1680 O VAL A 115 -18.415 1.256 -2.904 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.758 -0.804 -2.532 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.813 -2.168 -3.204 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.338 -0.485 -2.083 1.00 0.00 C ATOM 0 H VAL A 115 -16.145 2.004 -2.298 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.970 0.054 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.395 -0.828 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.431 -2.926 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.845 -2.403 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.203 -2.153 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.983 -1.270 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.685 -0.426 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.328 0.470 -1.558 1.00 0.00 H new ATOM 1693 N SER A 116 -18.430 -0.744 -3.922 1.00 0.00 N ATOM 1694 CA SER A 116 -19.884 -0.859 -3.925 1.00 0.00 C ATOM 1695 C SER A 116 -20.322 -2.264 -3.522 1.00 0.00 C ATOM 1696 O SER A 116 -19.519 -3.056 -3.030 1.00 0.00 O ATOM 1697 CB SER A 116 -20.439 -0.516 -5.309 1.00 0.00 C ATOM 1698 OG SER A 116 -21.645 0.221 -5.207 1.00 0.00 O ATOM 0 H SER A 116 -17.945 -1.536 -4.344 1.00 0.00 H new ATOM 0 HA SER A 116 -20.281 -0.153 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.702 0.062 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.616 -1.433 -5.871 1.00 0.00 H new ATOM 0 HG SER A 116 -21.978 0.429 -6.105 1.00 0.00 H new