USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 590 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 Single : A 24 THR OG1 : rot 30:sc= 0.133 USER MOD Single : A 33 ASN : amide:sc= 0.354 X(o=0.35,f=-0.002) USER MOD Single : A 34 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0.0049) USER MOD Single : A 35 ASN : amide:sc= -0.297 X(o=-0.3,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 0.0264 (180deg=0.0259) USER MOD Single : A 55 GLN : amide:sc= -0.795 K(o=-0.8,f=-0.0013) USER MOD Single : A 56 THR OG1 : rot 77:sc= 0.982 USER MOD Single : A 57 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.055) USER MOD Single : A 58 SER OG : rot 180:sc= -0.308 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00139 K(o=-0.0014,f=-0.68) USER MOD Single : A 63 SER OG : rot -150:sc= -0.732 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 86 THR OG1 : rot 56:sc= -2.32 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -151:sc= -0.0338 (180deg=-1.12) USER MOD Single : A 91 HIS : no HD1:sc= -0.309 X(o=-0.31,f=0.07) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0391 USER MOD Single : A 103 GLN : amide:sc= -0.0234 X(o=-0.023,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.168 -9.650 1.255 1.00 0.00 N ATOM 55 CA THR A 24 1.421 -10.952 1.870 1.00 0.00 C ATOM 56 C THR A 24 1.441 -12.022 0.768 1.00 0.00 C ATOM 57 O THR A 24 0.435 -12.234 0.086 1.00 0.00 O ATOM 58 CB THR A 24 0.309 -11.263 2.921 1.00 0.00 C ATOM 59 OG1 THR A 24 0.270 -10.199 3.884 1.00 0.00 O ATOM 60 CG2 THR A 24 0.525 -12.610 3.639 1.00 0.00 C ATOM 0 HA THR A 24 2.383 -10.946 2.383 1.00 0.00 H new ATOM 0 HB THR A 24 -0.639 -11.339 2.389 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.554 -9.363 3.459 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.278 -12.772 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.525 -13.417 2.906 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.481 -12.594 4.162 1.00 0.00 H new ATOM 68 N LEU A 25 2.606 -12.655 0.562 1.00 0.00 N ATOM 69 CA LEU A 25 2.743 -13.740 -0.413 1.00 0.00 C ATOM 70 C LEU A 25 2.196 -15.041 0.189 1.00 0.00 C ATOM 71 O LEU A 25 2.776 -15.605 1.127 1.00 0.00 O ATOM 72 CB LEU A 25 4.213 -13.892 -0.867 1.00 0.00 C ATOM 73 CG LEU A 25 4.795 -12.674 -1.660 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.226 -12.963 -2.150 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.868 -12.260 -2.833 1.00 0.00 C ATOM 0 H LEU A 25 3.467 -12.431 1.061 1.00 0.00 H new ATOM 0 HA LEU A 25 2.160 -13.501 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.833 -14.061 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.294 -14.783 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 25 4.843 -11.829 -0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.604 -12.100 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.871 -13.161 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.217 -13.833 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.305 -11.412 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.757 -13.097 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.890 -11.980 -2.442 1.00 0.00 H new ATOM 87 N VAL A 26 1.065 -15.487 -0.359 1.00 0.00 N ATOM 88 CA VAL A 26 0.338 -16.662 0.109 1.00 0.00 C ATOM 89 C VAL A 26 0.830 -17.884 -0.673 1.00 0.00 C ATOM 90 O VAL A 26 0.743 -17.920 -1.908 1.00 0.00 O ATOM 91 CB VAL A 26 -1.208 -16.474 -0.100 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.012 -17.712 0.371 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.713 -15.169 0.581 1.00 0.00 C ATOM 0 H VAL A 26 0.622 -15.031 -1.156 1.00 0.00 H new ATOM 0 HA VAL A 26 0.520 -16.803 1.175 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.380 -16.376 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.076 -17.539 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.696 -18.588 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.830 -17.882 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.786 -15.066 0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.510 -15.215 1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.197 -14.311 0.150 1.00 0.00 H new ATOM 103 N ARG A 27 1.382 -18.858 0.058 1.00 0.00 N ATOM 104 CA ARG A 27 1.911 -20.092 -0.533 1.00 0.00 C ATOM 105 C ARG A 27 0.767 -21.092 -0.806 1.00 0.00 C ATOM 106 O ARG A 27 -0.332 -20.967 -0.244 1.00 0.00 O ATOM 107 CB ARG A 27 3.005 -20.701 0.393 1.00 0.00 C ATOM 108 CG ARG A 27 2.509 -21.214 1.761 1.00 0.00 C ATOM 109 CD ARG A 27 3.650 -21.674 2.692 1.00 0.00 C ATOM 110 NE ARG A 27 4.535 -22.673 2.053 1.00 0.00 N ATOM 111 CZ ARG A 27 4.817 -23.896 2.532 1.00 0.00 C ATOM 112 NH1 ARG A 27 4.231 -24.349 3.629 1.00 0.00 N ATOM 113 NH2 ARG A 27 5.680 -24.669 1.887 1.00 0.00 N ATOM 0 H ARG A 27 1.475 -18.814 1.073 1.00 0.00 H new ATOM 0 HA ARG A 27 2.377 -19.861 -1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.483 -21.527 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.772 -19.946 0.564 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.944 -20.423 2.254 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.822 -22.045 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.241 -20.809 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.224 -22.099 3.601 1.00 0.00 H new ATOM 0 HE ARG A 27 4.970 -22.409 1.169 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.555 -23.767 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.456 -25.280 3.980 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.125 -24.334 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.899 -25.599 2.245 1.00 0.00 H new ATOM 127 N ILE A 28 1.051 -22.079 -1.669 1.00 0.00 N ATOM 128 CA ILE A 28 0.071 -23.103 -2.100 1.00 0.00 C ATOM 129 C ILE A 28 -0.465 -23.931 -0.900 1.00 0.00 C ATOM 130 O ILE A 28 -1.657 -24.262 -0.841 1.00 0.00 O ATOM 131 CB ILE A 28 0.697 -24.035 -3.212 1.00 0.00 C ATOM 132 CG1 ILE A 28 -0.317 -25.130 -3.697 1.00 0.00 C ATOM 133 CG2 ILE A 28 2.033 -24.656 -2.740 1.00 0.00 C ATOM 134 CD1 ILE A 28 0.180 -26.005 -4.844 1.00 0.00 C ATOM 0 H ILE A 28 1.971 -22.195 -2.094 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.785 -22.585 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 28 0.917 -23.407 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.567 -25.772 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.239 -24.638 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.437 -25.291 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.744 -23.861 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.860 -25.253 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.590 -26.730 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.402 -25.380 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.083 -26.531 -4.535 1.00 0.00 H new ATOM 146 N ALA A 29 0.422 -24.211 0.073 1.00 0.00 N ATOM 147 CA ALA A 29 0.083 -24.977 1.288 1.00 0.00 C ATOM 148 C ALA A 29 -0.777 -24.151 2.269 1.00 0.00 C ATOM 149 O ALA A 29 -1.635 -24.709 2.963 1.00 0.00 O ATOM 150 CB ALA A 29 1.365 -25.468 1.975 1.00 0.00 C ATOM 0 H ALA A 29 1.397 -23.912 0.039 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.512 -25.838 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.105 -26.032 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.922 -26.109 1.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.980 -24.612 2.252 1.00 0.00 H new ATOM 156 N ASP A 30 -0.556 -22.814 2.295 1.00 0.00 N ATOM 157 CA ASP A 30 -1.241 -21.888 3.239 1.00 0.00 C ATOM 158 C ASP A 30 -2.765 -21.964 3.055 1.00 0.00 C ATOM 159 O ASP A 30 -3.515 -22.044 4.032 1.00 0.00 O ATOM 160 CB ASP A 30 -0.763 -20.426 3.034 1.00 0.00 C ATOM 161 CG ASP A 30 -1.315 -19.458 4.093 1.00 0.00 C ATOM 162 OD1 ASP A 30 -0.840 -19.494 5.250 1.00 0.00 O ATOM 163 OD2 ASP A 30 -2.222 -18.670 3.787 1.00 0.00 O ATOM 0 H ASP A 30 0.098 -22.346 1.667 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.985 -22.198 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.326 -20.399 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.068 -20.085 2.045 1.00 0.00 H new ATOM 168 N LEU A 31 -3.180 -21.988 1.780 1.00 0.00 N ATOM 169 CA LEU A 31 -4.591 -22.123 1.361 1.00 0.00 C ATOM 170 C LEU A 31 -5.269 -23.341 2.024 1.00 0.00 C ATOM 171 O LEU A 31 -6.398 -23.249 2.517 1.00 0.00 O ATOM 172 CB LEU A 31 -4.648 -22.277 -0.181 1.00 0.00 C ATOM 173 CG LEU A 31 -4.062 -21.092 -1.011 1.00 0.00 C ATOM 174 CD1 LEU A 31 -3.947 -21.468 -2.503 1.00 0.00 C ATOM 175 CD2 LEU A 31 -4.906 -19.807 -0.814 1.00 0.00 C ATOM 0 H LEU A 31 -2.535 -21.913 0.993 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.128 -21.229 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.112 -23.186 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.688 -22.419 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.056 -20.885 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.536 -20.626 -3.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.289 -22.330 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.935 -21.714 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.477 -18.996 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.930 -19.990 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.906 -19.530 0.240 1.00 0.00 H new ATOM 187 N GLU A 32 -4.537 -24.467 2.042 1.00 0.00 N ATOM 188 CA GLU A 32 -5.038 -25.759 2.542 1.00 0.00 C ATOM 189 C GLU A 32 -5.170 -25.758 4.084 1.00 0.00 C ATOM 190 O GLU A 32 -6.125 -26.327 4.633 1.00 0.00 O ATOM 191 CB GLU A 32 -4.103 -26.903 2.068 1.00 0.00 C ATOM 192 CG GLU A 32 -3.781 -26.897 0.555 1.00 0.00 C ATOM 193 CD GLU A 32 -5.028 -26.920 -0.352 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.534 -28.017 -0.669 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.508 -25.838 -0.761 1.00 0.00 O ATOM 0 H GLU A 32 -3.574 -24.507 1.708 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.035 -25.922 2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.167 -26.842 2.624 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.563 -27.858 2.323 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.192 -26.010 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.160 -27.762 0.323 1.00 0.00 H new ATOM 202 N ASN A 33 -4.206 -25.103 4.770 1.00 0.00 N ATOM 203 CA ASN A 33 -4.215 -24.972 6.249 1.00 0.00 C ATOM 204 C ASN A 33 -5.356 -24.050 6.709 1.00 0.00 C ATOM 205 O ASN A 33 -6.020 -24.326 7.717 1.00 0.00 O ATOM 206 CB ASN A 33 -2.862 -24.438 6.791 1.00 0.00 C ATOM 207 CG ASN A 33 -1.717 -25.439 6.637 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.536 -26.326 7.471 1.00 0.00 O ATOM 209 ND2 ASN A 33 -0.915 -25.289 5.594 1.00 0.00 N ATOM 0 H ASN A 33 -3.407 -24.654 4.322 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.373 -25.971 6.655 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.605 -23.518 6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.975 -24.183 7.845 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.122 -25.918 5.466 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.090 -24.545 4.919 1.00 0.00 H new ATOM 216 N HIS A 34 -5.573 -22.958 5.952 1.00 0.00 N ATOM 217 CA HIS A 34 -6.662 -21.996 6.215 1.00 0.00 C ATOM 218 C HIS A 34 -8.023 -22.664 5.977 1.00 0.00 C ATOM 219 O HIS A 34 -8.946 -22.487 6.767 1.00 0.00 O ATOM 220 CB HIS A 34 -6.507 -20.706 5.354 1.00 0.00 C ATOM 221 CG HIS A 34 -5.444 -19.774 5.859 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.672 -18.446 6.120 1.00 0.00 N ATOM 223 CD2 HIS A 34 -4.145 -19.992 6.160 1.00 0.00 C ATOM 224 CE1 HIS A 34 -4.565 -17.894 6.562 1.00 0.00 C ATOM 225 NE2 HIS A 34 -3.618 -18.808 6.595 1.00 0.00 N ATOM 0 H HIS A 34 -5.001 -22.717 5.143 1.00 0.00 H new ATOM 0 HA HIS A 34 -6.603 -21.690 7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.273 -20.989 4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.460 -20.178 5.330 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.619 -20.931 6.073 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.450 -16.860 6.851 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.655 -18.658 6.894 1.00 0.00 H new ATOM 234 N ASN A 35 -8.106 -23.480 4.909 1.00 0.00 N ATOM 235 CA ASN A 35 -9.319 -24.256 4.583 1.00 0.00 C ATOM 236 C ASN A 35 -9.669 -25.212 5.748 1.00 0.00 C ATOM 237 O ASN A 35 -10.840 -25.361 6.120 1.00 0.00 O ATOM 238 CB ASN A 35 -9.101 -25.057 3.274 1.00 0.00 C ATOM 239 CG ASN A 35 -10.337 -25.818 2.778 1.00 0.00 C ATOM 240 OD1 ASN A 35 -10.232 -26.945 2.290 1.00 0.00 O ATOM 241 ND2 ASN A 35 -11.513 -25.206 2.864 1.00 0.00 N ATOM 0 H ASN A 35 -7.339 -23.620 4.251 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.151 -23.567 4.437 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.776 -24.370 2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.290 -25.769 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.355 -25.669 2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.574 -24.273 3.272 1.00 0.00 H new ATOM 248 N ASN A 36 -8.620 -25.823 6.329 1.00 0.00 N ATOM 249 CA ASN A 36 -8.739 -26.739 7.483 1.00 0.00 C ATOM 250 C ASN A 36 -9.150 -25.977 8.770 1.00 0.00 C ATOM 251 O ASN A 36 -9.844 -26.523 9.633 1.00 0.00 O ATOM 252 CB ASN A 36 -7.395 -27.492 7.685 1.00 0.00 C ATOM 253 CG ASN A 36 -7.422 -28.500 8.839 1.00 0.00 C ATOM 254 OD1 ASN A 36 -6.997 -28.207 9.955 1.00 0.00 O ATOM 255 ND2 ASN A 36 -7.949 -29.688 8.582 1.00 0.00 N ATOM 0 H ASN A 36 -7.659 -25.695 6.010 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.526 -27.464 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.139 -28.015 6.763 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.605 -26.764 7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.011 -30.389 9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.293 -29.902 7.646 1.00 0.00 H new ATOM 262 N ASP A 37 -8.714 -24.712 8.870 1.00 0.00 N ATOM 263 CA ASP A 37 -9.032 -23.817 10.011 1.00 0.00 C ATOM 264 C ASP A 37 -10.494 -23.321 9.944 1.00 0.00 C ATOM 265 O ASP A 37 -11.134 -23.073 10.978 1.00 0.00 O ATOM 266 CB ASP A 37 -8.054 -22.609 10.005 1.00 0.00 C ATOM 267 CG ASP A 37 -8.269 -21.624 11.175 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.684 -21.834 12.259 1.00 0.00 O ATOM 269 OD2 ASP A 37 -9.023 -20.638 11.021 1.00 0.00 O ATOM 0 H ASP A 37 -8.127 -24.272 8.161 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.915 -24.379 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.031 -22.982 10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.164 -22.070 9.064 1.00 0.00 H new ATOM 274 N GLY A 38 -11.007 -23.195 8.712 1.00 0.00 N ATOM 275 CA GLY A 38 -12.319 -22.590 8.449 1.00 0.00 C ATOM 276 C GLY A 38 -12.189 -21.258 7.709 1.00 0.00 C ATOM 277 O GLY A 38 -13.198 -20.662 7.311 1.00 0.00 O ATOM 0 H GLY A 38 -10.524 -23.510 7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.925 -23.277 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.843 -22.433 9.392 1.00 0.00 H new ATOM 281 N GLY A 39 -10.934 -20.788 7.556 1.00 0.00 N ATOM 282 CA GLY A 39 -10.612 -19.624 6.734 1.00 0.00 C ATOM 283 C GLY A 39 -10.664 -19.964 5.251 1.00 0.00 C ATOM 284 O GLY A 39 -9.629 -20.261 4.645 1.00 0.00 O ATOM 0 H GLY A 39 -10.121 -21.212 8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.314 -18.818 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.618 -19.258 6.991 1.00 0.00 H new ATOM 288 N PHE A 40 -11.873 -19.929 4.662 1.00 0.00 N ATOM 289 CA PHE A 40 -12.084 -20.380 3.281 1.00 0.00 C ATOM 290 C PHE A 40 -11.542 -19.310 2.313 1.00 0.00 C ATOM 291 O PHE A 40 -12.124 -18.225 2.185 1.00 0.00 O ATOM 292 CB PHE A 40 -13.594 -20.667 3.020 1.00 0.00 C ATOM 293 CG PHE A 40 -13.851 -21.591 1.829 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.919 -21.100 0.527 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.010 -22.967 2.019 1.00 0.00 C ATOM 296 CE1 PHE A 40 -14.141 -21.946 -0.541 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.233 -23.811 0.950 1.00 0.00 C ATOM 298 CZ PHE A 40 -14.297 -23.303 -0.328 1.00 0.00 C ATOM 0 H PHE A 40 -12.717 -19.592 5.124 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.544 -21.312 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.029 -21.113 3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.110 -19.722 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.796 -20.042 0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -13.958 -23.376 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -14.193 -21.548 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.357 -24.871 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.469 -23.965 -1.164 1.00 0.00 H new ATOM 308 N TRP A 41 -10.400 -19.630 1.679 1.00 0.00 N ATOM 309 CA TRP A 41 -9.686 -18.745 0.741 1.00 0.00 C ATOM 310 C TRP A 41 -9.767 -19.302 -0.689 1.00 0.00 C ATOM 311 O TRP A 41 -10.024 -20.492 -0.886 1.00 0.00 O ATOM 312 CB TRP A 41 -8.196 -18.578 1.183 1.00 0.00 C ATOM 313 CG TRP A 41 -7.961 -17.577 2.295 1.00 0.00 C ATOM 314 CD1 TRP A 41 -8.896 -16.978 3.095 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.694 -17.051 2.708 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.287 -16.108 3.957 1.00 0.00 N ATOM 317 CE2 TRP A 41 -6.939 -16.137 3.742 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.378 -17.272 2.304 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.920 -15.431 4.371 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.366 -16.570 2.925 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.640 -15.661 3.953 1.00 0.00 C ATOM 0 H TRP A 41 -9.938 -20.530 1.807 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.163 -17.765 0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.818 -19.549 1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.608 -18.278 0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.959 -17.165 3.052 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.764 -15.530 4.649 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.155 -17.980 1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.133 -14.726 5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.344 -16.725 2.612 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.825 -15.132 4.424 1.00 0.00 H new ATOM 332 N THR A 42 -9.522 -18.421 -1.666 1.00 0.00 N ATOM 333 CA THR A 42 -9.593 -18.730 -3.098 1.00 0.00 C ATOM 334 C THR A 42 -8.582 -17.849 -3.855 1.00 0.00 C ATOM 335 O THR A 42 -8.329 -16.703 -3.460 1.00 0.00 O ATOM 336 CB THR A 42 -11.047 -18.504 -3.645 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.139 -18.862 -5.036 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.528 -17.052 -3.446 1.00 0.00 C ATOM 0 H THR A 42 -9.263 -17.452 -1.478 1.00 0.00 H new ATOM 0 HA THR A 42 -9.342 -19.780 -3.252 1.00 0.00 H new ATOM 0 HB THR A 42 -11.700 -19.155 -3.065 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.055 -18.714 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.539 -16.946 -3.840 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.526 -16.811 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.860 -16.372 -3.974 1.00 0.00 H new ATOM 346 N VAL A 43 -7.973 -18.404 -4.917 1.00 0.00 N ATOM 347 CA VAL A 43 -7.009 -17.680 -5.768 1.00 0.00 C ATOM 348 C VAL A 43 -7.613 -17.443 -7.156 1.00 0.00 C ATOM 349 O VAL A 43 -7.964 -18.394 -7.865 1.00 0.00 O ATOM 350 CB VAL A 43 -5.653 -18.454 -5.901 1.00 0.00 C ATOM 351 CG1 VAL A 43 -4.690 -17.730 -6.877 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.002 -18.653 -4.513 1.00 0.00 C ATOM 0 H VAL A 43 -8.134 -19.367 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.799 -16.723 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.862 -19.439 -6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.757 -18.289 -6.950 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.152 -17.665 -7.862 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.483 -16.726 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.062 -19.192 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.811 -17.681 -4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.674 -19.226 -3.875 1.00 0.00 H new ATOM 362 N ILE A 44 -7.748 -16.163 -7.521 1.00 0.00 N ATOM 363 CA ILE A 44 -8.276 -15.730 -8.823 1.00 0.00 C ATOM 364 C ILE A 44 -7.279 -14.745 -9.467 1.00 0.00 C ATOM 365 O ILE A 44 -7.149 -13.596 -9.014 1.00 0.00 O ATOM 366 CB ILE A 44 -9.692 -15.055 -8.655 1.00 0.00 C ATOM 367 CG1 ILE A 44 -10.678 -16.017 -7.909 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.276 -14.615 -10.023 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.006 -15.400 -7.513 1.00 0.00 C ATOM 0 H ILE A 44 -7.490 -15.386 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.398 -16.599 -9.470 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.564 -14.158 -8.049 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.872 -16.879 -8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.186 -16.390 -7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.252 -14.154 -9.871 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.604 -13.896 -10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.383 -15.486 -10.670 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.616 -16.146 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.831 -14.557 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.527 -15.053 -8.406 1.00 0.00 H new ATOM 381 N ASP A 45 -6.557 -15.235 -10.499 1.00 0.00 N ATOM 382 CA ASP A 45 -5.555 -14.462 -11.265 1.00 0.00 C ATOM 383 C ASP A 45 -4.458 -13.863 -10.334 1.00 0.00 C ATOM 384 O ASP A 45 -4.249 -12.644 -10.267 1.00 0.00 O ATOM 385 CB ASP A 45 -6.268 -13.402 -12.167 1.00 0.00 C ATOM 386 CG ASP A 45 -5.306 -12.532 -12.997 1.00 0.00 C ATOM 387 OD1 ASP A 45 -4.581 -13.084 -13.852 1.00 0.00 O ATOM 388 OD2 ASP A 45 -5.247 -11.301 -12.777 1.00 0.00 O ATOM 0 H ASP A 45 -6.656 -16.195 -10.828 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.020 -15.134 -11.936 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -6.950 -13.917 -12.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.875 -12.753 -11.536 1.00 0.00 H new ATOM 393 N GLY A 46 -3.827 -14.757 -9.545 1.00 0.00 N ATOM 394 CA GLY A 46 -2.706 -14.404 -8.653 1.00 0.00 C ATOM 395 C GLY A 46 -3.100 -13.538 -7.453 1.00 0.00 C ATOM 396 O GLY A 46 -2.238 -13.041 -6.733 1.00 0.00 O ATOM 0 H GLY A 46 -4.081 -15.744 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.246 -15.322 -8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.949 -13.877 -9.233 1.00 0.00 H new ATOM 400 N LYS A 47 -4.407 -13.364 -7.236 1.00 0.00 N ATOM 401 CA LYS A 47 -4.952 -12.543 -6.145 1.00 0.00 C ATOM 402 C LYS A 47 -5.771 -13.439 -5.213 1.00 0.00 C ATOM 403 O LYS A 47 -6.692 -14.125 -5.667 1.00 0.00 O ATOM 404 CB LYS A 47 -5.837 -11.411 -6.730 1.00 0.00 C ATOM 405 CG LYS A 47 -5.074 -10.292 -7.467 1.00 0.00 C ATOM 406 CD LYS A 47 -4.275 -9.389 -6.506 1.00 0.00 C ATOM 407 CE LYS A 47 -3.570 -8.230 -7.226 1.00 0.00 C ATOM 408 NZ LYS A 47 -2.915 -7.307 -6.268 1.00 0.00 N ATOM 0 H LYS A 47 -5.126 -13.793 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.140 -12.085 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.555 -11.854 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.410 -10.963 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.393 -10.738 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.782 -9.683 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.948 -8.985 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.532 -9.991 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.825 -8.629 -7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.295 -7.679 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.450 -6.537 -6.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.630 -6.907 -5.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.206 -7.828 -5.714 1.00 0.00 H new ATOM 422 N VAL A 48 -5.431 -13.438 -3.916 1.00 0.00 N ATOM 423 CA VAL A 48 -6.117 -14.274 -2.914 1.00 0.00 C ATOM 424 C VAL A 48 -7.185 -13.447 -2.189 1.00 0.00 C ATOM 425 O VAL A 48 -6.899 -12.351 -1.683 1.00 0.00 O ATOM 426 CB VAL A 48 -5.128 -14.883 -1.861 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.819 -15.958 -0.980 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.886 -15.458 -2.554 1.00 0.00 C ATOM 0 H VAL A 48 -4.680 -12.864 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.578 -15.103 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.811 -14.076 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.102 -16.357 -0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.655 -15.508 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.186 -16.766 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.212 -15.876 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.187 -16.242 -3.249 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.375 -14.666 -3.100 1.00 0.00 H new ATOM 438 N TYR A 49 -8.413 -13.982 -2.169 1.00 0.00 N ATOM 439 CA TYR A 49 -9.560 -13.397 -1.459 1.00 0.00 C ATOM 440 C TYR A 49 -10.186 -14.465 -0.555 1.00 0.00 C ATOM 441 O TYR A 49 -9.911 -15.660 -0.708 1.00 0.00 O ATOM 442 CB TYR A 49 -10.624 -12.877 -2.468 1.00 0.00 C ATOM 443 CG TYR A 49 -10.084 -11.855 -3.476 1.00 0.00 C ATOM 444 CD1 TYR A 49 -10.030 -10.499 -3.166 1.00 0.00 C ATOM 445 CD2 TYR A 49 -9.581 -12.255 -4.717 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.494 -9.585 -4.043 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.055 -11.336 -5.597 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.008 -10.003 -5.251 1.00 0.00 C ATOM 449 OH TYR A 49 -8.455 -9.085 -6.119 1.00 0.00 O ATOM 0 H TYR A 49 -8.642 -14.849 -2.654 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.214 -12.555 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.037 -13.726 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.445 -12.424 -1.912 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.417 -10.158 -2.217 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.605 -13.300 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.457 -8.539 -3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.680 -11.659 -6.557 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.156 -9.543 -6.932 1.00 0.00 H new ATOM 459 N ASP A 50 -11.011 -14.025 0.398 1.00 0.00 N ATOM 460 CA ASP A 50 -11.838 -14.927 1.218 1.00 0.00 C ATOM 461 C ASP A 50 -13.228 -15.085 0.588 1.00 0.00 C ATOM 462 O ASP A 50 -13.659 -14.273 -0.242 1.00 0.00 O ATOM 463 CB ASP A 50 -11.964 -14.400 2.676 1.00 0.00 C ATOM 464 CG ASP A 50 -12.520 -12.969 2.751 1.00 0.00 C ATOM 465 OD1 ASP A 50 -13.753 -12.802 2.717 1.00 0.00 O ATOM 466 OD2 ASP A 50 -11.715 -12.016 2.830 1.00 0.00 O ATOM 0 H ASP A 50 -11.128 -13.038 0.626 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.349 -15.901 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.614 -15.067 3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.984 -14.429 3.153 1.00 0.00 H new ATOM 471 N ILE A 51 -13.902 -16.160 0.987 1.00 0.00 N ATOM 472 CA ILE A 51 -15.297 -16.446 0.622 1.00 0.00 C ATOM 473 C ILE A 51 -16.185 -16.365 1.880 1.00 0.00 C ATOM 474 O ILE A 51 -17.368 -16.018 1.794 1.00 0.00 O ATOM 475 CB ILE A 51 -15.394 -17.864 -0.071 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.676 -17.842 -1.462 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.849 -18.388 -0.199 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.231 -16.819 -2.442 1.00 0.00 C ATOM 0 H ILE A 51 -13.490 -16.875 1.586 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.653 -15.704 -0.093 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.881 -18.568 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.616 -17.640 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.749 -18.833 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.843 -19.365 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.292 -18.477 0.793 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.436 -17.691 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.675 -16.873 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.283 -17.031 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.133 -15.819 -2.019 1.00 0.00 H new ATOM 490 N LYS A 52 -15.580 -16.642 3.057 1.00 0.00 N ATOM 491 CA LYS A 52 -16.313 -16.744 4.336 1.00 0.00 C ATOM 492 C LYS A 52 -16.830 -15.369 4.827 1.00 0.00 C ATOM 493 O LYS A 52 -18.002 -15.242 5.192 1.00 0.00 O ATOM 494 CB LYS A 52 -15.433 -17.431 5.416 1.00 0.00 C ATOM 495 CG LYS A 52 -14.134 -16.680 5.788 1.00 0.00 C ATOM 496 CD LYS A 52 -13.373 -17.352 6.947 1.00 0.00 C ATOM 497 CE LYS A 52 -14.214 -17.491 8.229 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.463 -18.157 9.326 1.00 0.00 N ATOM 0 H LYS A 52 -14.576 -16.800 3.146 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.192 -17.364 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.030 -17.559 6.319 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.168 -18.428 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.485 -16.629 4.914 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.378 -15.654 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.041 -18.341 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.478 -16.771 7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.535 -16.503 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.116 -18.063 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.080 -18.259 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.149 -19.097 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.634 -17.582 9.579 1.00 0.00 H new ATOM 512 N ASP A 53 -15.945 -14.345 4.836 1.00 0.00 N ATOM 513 CA ASP A 53 -16.310 -12.975 5.253 1.00 0.00 C ATOM 514 C ASP A 53 -17.132 -12.310 4.137 1.00 0.00 C ATOM 515 O ASP A 53 -18.076 -11.575 4.409 1.00 0.00 O ATOM 516 CB ASP A 53 -15.047 -12.137 5.595 1.00 0.00 C ATOM 517 CG ASP A 53 -15.368 -10.687 6.030 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.950 -10.501 7.118 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.032 -9.727 5.297 1.00 0.00 O ATOM 0 H ASP A 53 -14.969 -14.445 4.557 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.914 -13.027 6.159 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.496 -12.634 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.392 -12.110 4.724 1.00 0.00 H new ATOM 524 N PHE A 54 -16.747 -12.621 2.882 1.00 0.00 N ATOM 525 CA PHE A 54 -17.431 -12.173 1.652 1.00 0.00 C ATOM 526 C PHE A 54 -18.956 -12.432 1.703 1.00 0.00 C ATOM 527 O PHE A 54 -19.762 -11.506 1.547 1.00 0.00 O ATOM 528 CB PHE A 54 -16.784 -12.903 0.442 1.00 0.00 C ATOM 529 CG PHE A 54 -17.343 -12.521 -0.925 1.00 0.00 C ATOM 530 CD1 PHE A 54 -16.802 -11.462 -1.643 1.00 0.00 C ATOM 531 CD2 PHE A 54 -18.419 -13.217 -1.486 1.00 0.00 C ATOM 532 CE1 PHE A 54 -17.314 -11.114 -2.875 1.00 0.00 C ATOM 533 CE2 PHE A 54 -18.931 -12.858 -2.715 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.375 -11.811 -3.409 1.00 0.00 C ATOM 0 H PHE A 54 -15.932 -13.205 2.692 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.309 -11.094 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.713 -12.701 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.907 -13.977 0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.972 -10.906 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -18.855 -14.047 -0.949 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.881 -10.291 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -19.768 -13.399 -3.131 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.771 -11.534 -4.375 1.00 0.00 H new ATOM 544 N GLN A 55 -19.329 -13.701 1.944 1.00 0.00 N ATOM 545 CA GLN A 55 -20.744 -14.128 1.996 1.00 0.00 C ATOM 546 C GLN A 55 -21.468 -13.515 3.224 1.00 0.00 C ATOM 547 O GLN A 55 -22.689 -13.310 3.200 1.00 0.00 O ATOM 548 CB GLN A 55 -20.852 -15.681 1.964 1.00 0.00 C ATOM 549 CG GLN A 55 -20.257 -16.408 3.190 1.00 0.00 C ATOM 550 CD GLN A 55 -20.162 -17.936 3.048 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.303 -18.671 4.025 1.00 0.00 O ATOM 552 NE2 GLN A 55 -19.876 -18.421 1.844 1.00 0.00 N ATOM 0 H GLN A 55 -18.665 -14.458 2.108 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.252 -13.750 1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.903 -15.954 1.875 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.351 -16.045 1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.260 -16.012 3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.865 -16.175 4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -19.765 -17.788 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -19.768 -19.427 1.712 1.00 0.00 H new ATOM 561 N THR A 56 -20.696 -13.222 4.290 1.00 0.00 N ATOM 562 CA THR A 56 -21.194 -12.494 5.478 1.00 0.00 C ATOM 563 C THR A 56 -21.514 -11.012 5.127 1.00 0.00 C ATOM 564 O THR A 56 -22.404 -10.403 5.719 1.00 0.00 O ATOM 565 CB THR A 56 -20.163 -12.561 6.654 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.793 -13.924 6.896 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.707 -11.951 7.960 1.00 0.00 C ATOM 0 H THR A 56 -19.712 -13.482 4.353 1.00 0.00 H new ATOM 0 HA THR A 56 -22.114 -12.981 5.801 1.00 0.00 H new ATOM 0 HB THR A 56 -19.298 -11.972 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.165 -14.220 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.949 -12.026 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.957 -10.903 7.796 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.601 -12.493 8.270 1.00 0.00 H new ATOM 575 N GLN A 57 -20.757 -10.423 4.174 1.00 0.00 N ATOM 576 CA GLN A 57 -20.990 -9.034 3.722 1.00 0.00 C ATOM 577 C GLN A 57 -22.218 -8.951 2.788 1.00 0.00 C ATOM 578 O GLN A 57 -22.811 -7.880 2.632 1.00 0.00 O ATOM 579 CB GLN A 57 -19.730 -8.463 3.021 1.00 0.00 C ATOM 580 CG GLN A 57 -18.420 -8.528 3.838 1.00 0.00 C ATOM 581 CD GLN A 57 -18.558 -8.077 5.290 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.438 -6.890 5.601 1.00 0.00 O ATOM 583 NE2 GLN A 57 -18.778 -9.029 6.190 1.00 0.00 N ATOM 0 H GLN A 57 -19.980 -10.888 3.704 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.196 -8.427 4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.581 -9.004 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.922 -7.422 2.760 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.047 -9.552 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.669 -7.908 3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.872 -10.000 5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -18.853 -8.789 7.178 1.00 0.00 H new ATOM 592 N SER A 58 -22.593 -10.097 2.180 1.00 0.00 N ATOM 593 CA SER A 58 -23.837 -10.223 1.389 1.00 0.00 C ATOM 594 C SER A 58 -25.090 -10.141 2.302 1.00 0.00 C ATOM 595 O SER A 58 -26.204 -9.912 1.822 1.00 0.00 O ATOM 596 CB SER A 58 -23.835 -11.551 0.601 1.00 0.00 C ATOM 597 OG SER A 58 -22.645 -11.709 -0.159 1.00 0.00 O ATOM 0 H SER A 58 -22.046 -10.957 2.223 1.00 0.00 H new ATOM 0 HA SER A 58 -23.877 -9.392 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 58 -23.938 -12.386 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 58 -24.698 -11.581 -0.064 1.00 0.00 H new ATOM 0 HG SER A 58 -22.677 -12.560 -0.643 1.00 0.00 H new ATOM 603 N LEU A 59 -24.879 -10.346 3.622 1.00 0.00 N ATOM 604 CA LEU A 59 -25.922 -10.175 4.656 1.00 0.00 C ATOM 605 C LEU A 59 -26.281 -8.680 4.829 1.00 0.00 C ATOM 606 O LEU A 59 -27.392 -8.345 5.253 1.00 0.00 O ATOM 607 CB LEU A 59 -25.432 -10.766 6.010 1.00 0.00 C ATOM 608 CG LEU A 59 -26.424 -10.701 7.217 1.00 0.00 C ATOM 609 CD1 LEU A 59 -27.621 -11.653 7.017 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.696 -10.967 8.559 1.00 0.00 C ATOM 0 H LEU A 59 -23.977 -10.636 4.000 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.816 -10.709 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -25.166 -11.810 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.518 -10.245 6.295 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.824 -9.688 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -28.290 -11.582 7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -28.161 -11.374 6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -27.260 -12.677 6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.413 -10.915 9.378 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -25.242 -11.958 8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -24.920 -10.216 8.707 1.00 0.00 H new ATOM 622 N THR A 60 -25.335 -7.785 4.497 1.00 0.00 N ATOM 623 CA THR A 60 -25.549 -6.339 4.590 1.00 0.00 C ATOM 624 C THR A 60 -26.206 -5.863 3.282 1.00 0.00 C ATOM 625 O THR A 60 -25.630 -6.019 2.202 1.00 0.00 O ATOM 626 CB THR A 60 -24.200 -5.594 4.854 1.00 0.00 C ATOM 627 OG1 THR A 60 -23.557 -6.170 5.996 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.388 -4.080 5.085 1.00 0.00 C ATOM 0 H THR A 60 -24.408 -8.045 4.159 1.00 0.00 H new ATOM 0 HA THR A 60 -26.206 -6.112 5.430 1.00 0.00 H new ATOM 0 HB THR A 60 -23.586 -5.711 3.961 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.710 -5.706 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.418 -3.616 5.263 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.848 -3.632 4.204 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.031 -3.921 5.951 1.00 0.00 H new ATOM 636 N GLU A 61 -27.434 -5.328 3.393 1.00 0.00 N ATOM 637 CA GLU A 61 -28.233 -4.877 2.234 1.00 0.00 C ATOM 638 C GLU A 61 -27.590 -3.642 1.557 1.00 0.00 C ATOM 639 O GLU A 61 -27.746 -3.436 0.347 1.00 0.00 O ATOM 640 CB GLU A 61 -29.690 -4.581 2.686 1.00 0.00 C ATOM 641 CG GLU A 61 -30.689 -4.328 1.536 1.00 0.00 C ATOM 642 CD GLU A 61 -32.137 -4.131 2.015 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.823 -5.134 2.294 1.00 0.00 O ATOM 644 OE2 GLU A 61 -32.601 -2.972 2.110 1.00 0.00 O ATOM 0 H GLU A 61 -27.904 -5.195 4.289 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.254 -5.674 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.048 -5.421 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.682 -3.709 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -30.375 -3.445 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.655 -5.169 0.844 1.00 0.00 H new ATOM 651 N ASN A 62 -26.853 -2.829 2.344 1.00 0.00 N ATOM 652 CA ASN A 62 -26.067 -1.699 1.813 1.00 0.00 C ATOM 653 C ASN A 62 -24.654 -2.204 1.434 1.00 0.00 C ATOM 654 O ASN A 62 -23.639 -1.835 2.046 1.00 0.00 O ATOM 655 CB ASN A 62 -25.999 -0.529 2.843 1.00 0.00 C ATOM 656 CG ASN A 62 -25.435 0.774 2.244 1.00 0.00 C ATOM 657 OD1 ASN A 62 -25.673 1.081 1.074 1.00 0.00 O ATOM 658 ND2 ASN A 62 -24.655 1.524 3.013 1.00 0.00 N ATOM 0 H ASN A 62 -26.787 -2.937 3.356 1.00 0.00 H new ATOM 0 HA ASN A 62 -26.555 -1.305 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -26.999 -0.339 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -25.379 -0.832 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -24.237 2.376 2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -24.473 1.248 3.978 1.00 0.00 H new ATOM 665 N SER A 63 -24.631 -3.115 0.455 1.00 0.00 N ATOM 666 CA SER A 63 -23.412 -3.727 -0.098 1.00 0.00 C ATOM 667 C SER A 63 -23.651 -4.019 -1.580 1.00 0.00 C ATOM 668 O SER A 63 -24.799 -4.220 -2.001 1.00 0.00 O ATOM 669 CB SER A 63 -23.067 -5.047 0.653 1.00 0.00 C ATOM 670 OG SER A 63 -22.830 -4.800 2.014 1.00 0.00 O ATOM 0 H SER A 63 -25.483 -3.458 0.011 1.00 0.00 H new ATOM 0 HA SER A 63 -22.573 -3.042 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.887 -5.757 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.187 -5.507 0.204 1.00 0.00 H new ATOM 0 HG SER A 63 -22.190 -5.457 2.359 1.00 0.00 H new ATOM 676 N ILE A 64 -22.564 -4.042 -2.355 1.00 0.00 N ATOM 677 CA ILE A 64 -22.574 -4.502 -3.759 1.00 0.00 C ATOM 678 C ILE A 64 -23.006 -5.985 -3.851 1.00 0.00 C ATOM 679 O ILE A 64 -23.542 -6.423 -4.861 1.00 0.00 O ATOM 680 CB ILE A 64 -21.146 -4.341 -4.419 1.00 0.00 C ATOM 681 CG1 ILE A 64 -20.058 -5.092 -3.573 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.787 -2.845 -4.610 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.720 -5.281 -4.254 1.00 0.00 C ATOM 0 H ILE A 64 -21.644 -3.742 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.291 -3.882 -4.297 1.00 0.00 H new ATOM 0 HB ILE A 64 -21.172 -4.798 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.900 -4.541 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.448 -6.072 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.800 -2.763 -5.066 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.526 -2.373 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.782 -2.345 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -18.042 -5.810 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.855 -5.862 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.298 -4.307 -4.503 1.00 0.00 H new ATOM 695 N LEU A 65 -22.779 -6.734 -2.754 1.00 0.00 N ATOM 696 CA LEU A 65 -23.024 -8.186 -2.672 1.00 0.00 C ATOM 697 C LEU A 65 -24.490 -8.513 -2.330 1.00 0.00 C ATOM 698 O LEU A 65 -24.850 -9.688 -2.217 1.00 0.00 O ATOM 699 CB LEU A 65 -22.069 -8.795 -1.619 1.00 0.00 C ATOM 700 CG LEU A 65 -20.560 -8.476 -1.821 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.691 -9.141 -0.736 1.00 0.00 C ATOM 702 CD2 LEU A 65 -20.096 -8.847 -3.248 1.00 0.00 C ATOM 0 H LEU A 65 -22.414 -6.340 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.830 -8.623 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.369 -8.440 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.197 -9.877 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.430 -7.399 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.643 -8.896 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.992 -8.775 0.246 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.823 -10.222 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -19.037 -8.613 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.251 -9.913 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.672 -8.278 -3.977 1.00 0.00 H new ATOM 714 N ALA A 66 -25.323 -7.467 -2.165 1.00 0.00 N ATOM 715 CA ALA A 66 -26.771 -7.623 -1.909 1.00 0.00 C ATOM 716 C ALA A 66 -27.515 -8.034 -3.202 1.00 0.00 C ATOM 717 O ALA A 66 -28.540 -8.723 -3.145 1.00 0.00 O ATOM 718 CB ALA A 66 -27.346 -6.327 -1.319 1.00 0.00 C ATOM 0 H ALA A 66 -25.015 -6.495 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.916 -8.421 -1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.413 -6.453 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.840 -6.098 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.194 -5.508 -2.022 1.00 0.00 H new ATOM 724 N GLN A 67 -26.983 -7.601 -4.369 1.00 0.00 N ATOM 725 CA GLN A 67 -27.486 -8.028 -5.702 1.00 0.00 C ATOM 726 C GLN A 67 -26.832 -9.360 -6.136 1.00 0.00 C ATOM 727 O GLN A 67 -27.184 -9.927 -7.178 1.00 0.00 O ATOM 728 CB GLN A 67 -27.222 -6.920 -6.760 1.00 0.00 C ATOM 729 CG GLN A 67 -25.734 -6.687 -7.085 1.00 0.00 C ATOM 730 CD GLN A 67 -25.482 -5.476 -7.981 1.00 0.00 C ATOM 731 OE1 GLN A 67 -25.465 -5.581 -9.209 1.00 0.00 O ATOM 732 NE2 GLN A 67 -25.296 -4.312 -7.369 1.00 0.00 N ATOM 0 H GLN A 67 -26.199 -6.951 -4.417 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.562 -8.188 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.745 -7.182 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.654 -5.985 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -25.184 -6.559 -6.153 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -25.334 -7.577 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.317 -4.262 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -25.133 -3.468 -7.918 1.00 0.00 H new ATOM 741 N PHE A 68 -25.848 -9.823 -5.344 1.00 0.00 N ATOM 742 CA PHE A 68 -25.188 -11.131 -5.524 1.00 0.00 C ATOM 743 C PHE A 68 -25.606 -12.107 -4.400 1.00 0.00 C ATOM 744 O PHE A 68 -25.050 -13.204 -4.283 1.00 0.00 O ATOM 745 CB PHE A 68 -23.642 -10.946 -5.544 1.00 0.00 C ATOM 746 CG PHE A 68 -23.117 -10.119 -6.725 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.237 -10.594 -8.032 1.00 0.00 C ATOM 748 CD2 PHE A 68 -22.505 -8.879 -6.533 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.768 -9.855 -9.105 1.00 0.00 C ATOM 750 CE2 PHE A 68 -22.035 -8.139 -7.608 1.00 0.00 C ATOM 751 CZ PHE A 68 -22.167 -8.627 -8.893 1.00 0.00 C ATOM 0 H PHE A 68 -25.484 -9.294 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.502 -11.557 -6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.334 -10.466 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -23.171 -11.929 -5.567 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.703 -11.552 -8.209 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -22.396 -8.490 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.872 -10.238 -10.109 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.566 -7.181 -7.440 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.802 -8.051 -9.731 1.00 0.00 H new ATOM 761 N ALA A 69 -26.589 -11.692 -3.574 1.00 0.00 N ATOM 762 CA ALA A 69 -27.136 -12.529 -2.489 1.00 0.00 C ATOM 763 C ALA A 69 -27.997 -13.661 -3.087 1.00 0.00 C ATOM 764 O ALA A 69 -28.894 -13.395 -3.898 1.00 0.00 O ATOM 765 CB ALA A 69 -27.948 -11.661 -1.516 1.00 0.00 C ATOM 0 H ALA A 69 -27.023 -10.771 -3.641 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.318 -12.984 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.348 -12.286 -0.718 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -27.303 -10.894 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.770 -11.186 -2.051 1.00 0.00 H new ATOM 771 N GLY A 70 -27.697 -14.920 -2.711 1.00 0.00 N ATOM 772 CA GLY A 70 -28.338 -16.107 -3.306 1.00 0.00 C ATOM 773 C GLY A 70 -27.441 -16.767 -4.349 1.00 0.00 C ATOM 774 O GLY A 70 -27.474 -17.990 -4.530 1.00 0.00 O ATOM 0 H GLY A 70 -27.009 -15.141 -1.992 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.574 -16.826 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.282 -15.818 -3.768 1.00 0.00 H new ATOM 778 N GLU A 71 -26.634 -15.937 -5.036 1.00 0.00 N ATOM 779 CA GLU A 71 -25.654 -16.387 -6.043 1.00 0.00 C ATOM 780 C GLU A 71 -24.431 -17.016 -5.343 1.00 0.00 C ATOM 781 O GLU A 71 -24.131 -16.684 -4.187 1.00 0.00 O ATOM 782 CB GLU A 71 -25.234 -15.179 -6.949 1.00 0.00 C ATOM 783 CG GLU A 71 -24.219 -15.492 -8.082 1.00 0.00 C ATOM 784 CD GLU A 71 -24.698 -16.587 -9.053 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.651 -16.337 -9.817 1.00 0.00 O ATOM 786 OE2 GLU A 71 -24.141 -17.706 -9.042 1.00 0.00 O ATOM 0 H GLU A 71 -26.644 -14.925 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 71 -26.106 -17.148 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -26.133 -14.761 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.808 -14.405 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -24.023 -14.579 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -23.274 -15.801 -7.636 1.00 0.00 H new ATOM 793 N ASP A 72 -23.759 -17.942 -6.053 1.00 0.00 N ATOM 794 CA ASP A 72 -22.515 -18.590 -5.593 1.00 0.00 C ATOM 795 C ASP A 72 -21.453 -17.513 -5.271 1.00 0.00 C ATOM 796 O ASP A 72 -21.149 -16.696 -6.139 1.00 0.00 O ATOM 797 CB ASP A 72 -21.991 -19.542 -6.697 1.00 0.00 C ATOM 798 CG ASP A 72 -20.711 -20.313 -6.311 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.597 -19.794 -6.515 1.00 0.00 O ATOM 800 OD2 ASP A 72 -20.818 -21.445 -5.798 1.00 0.00 O ATOM 0 H ASP A 72 -24.067 -18.265 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.717 -19.166 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.773 -20.259 -6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.794 -18.962 -7.599 1.00 0.00 H new ATOM 805 N PRO A 73 -20.880 -17.495 -4.027 1.00 0.00 N ATOM 806 CA PRO A 73 -19.974 -16.407 -3.568 1.00 0.00 C ATOM 807 C PRO A 73 -18.633 -16.339 -4.339 1.00 0.00 C ATOM 808 O PRO A 73 -18.011 -15.282 -4.386 1.00 0.00 O ATOM 809 CB PRO A 73 -19.761 -16.732 -2.069 1.00 0.00 C ATOM 810 CG PRO A 73 -19.979 -18.209 -1.979 1.00 0.00 C ATOM 811 CD PRO A 73 -21.077 -18.520 -2.964 1.00 0.00 C ATOM 0 HA PRO A 73 -20.407 -15.423 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.759 -16.457 -1.740 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.464 -16.187 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.068 -18.755 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.265 -18.502 -0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.989 -19.532 -3.359 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.063 -18.441 -2.506 1.00 0.00 H new ATOM 819 N VAL A 74 -18.198 -17.464 -4.938 1.00 0.00 N ATOM 820 CA VAL A 74 -16.969 -17.495 -5.762 1.00 0.00 C ATOM 821 C VAL A 74 -17.251 -16.816 -7.112 1.00 0.00 C ATOM 822 O VAL A 74 -16.503 -15.949 -7.541 1.00 0.00 O ATOM 823 CB VAL A 74 -16.433 -18.955 -5.992 1.00 0.00 C ATOM 824 CG1 VAL A 74 -15.098 -18.950 -6.778 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.287 -19.708 -4.649 1.00 0.00 C ATOM 0 H VAL A 74 -18.676 -18.362 -4.869 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.191 -16.956 -5.221 1.00 0.00 H new ATOM 0 HB VAL A 74 -17.167 -19.486 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.755 -19.975 -6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.250 -18.481 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.348 -18.391 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.915 -20.715 -4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.586 -19.175 -4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.258 -19.765 -4.157 1.00 0.00 H new ATOM 835 N VAL A 75 -18.379 -17.205 -7.731 1.00 0.00 N ATOM 836 CA VAL A 75 -18.853 -16.637 -9.013 1.00 0.00 C ATOM 837 C VAL A 75 -19.215 -15.145 -8.859 1.00 0.00 C ATOM 838 O VAL A 75 -19.004 -14.344 -9.774 1.00 0.00 O ATOM 839 CB VAL A 75 -20.082 -17.461 -9.550 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.736 -16.811 -10.797 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.655 -18.921 -9.841 1.00 0.00 C ATOM 0 H VAL A 75 -18.994 -17.927 -7.356 1.00 0.00 H new ATOM 0 HA VAL A 75 -18.044 -16.707 -9.740 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.843 -17.461 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.578 -17.420 -11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -21.089 -15.811 -10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -20.002 -16.744 -11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.512 -19.484 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.865 -18.926 -10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.288 -19.382 -8.924 1.00 0.00 H new ATOM 851 N ALA A 76 -19.731 -14.796 -7.675 1.00 0.00 N ATOM 852 CA ALA A 76 -20.099 -13.417 -7.307 1.00 0.00 C ATOM 853 C ALA A 76 -18.840 -12.559 -7.106 1.00 0.00 C ATOM 854 O ALA A 76 -18.824 -11.370 -7.438 1.00 0.00 O ATOM 855 CB ALA A 76 -20.958 -13.428 -6.033 1.00 0.00 C ATOM 0 H ALA A 76 -19.909 -15.471 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.681 -12.978 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.227 -12.406 -5.766 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.864 -14.007 -6.210 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.393 -13.879 -5.217 1.00 0.00 H new ATOM 861 N LEU A 77 -17.792 -13.198 -6.559 1.00 0.00 N ATOM 862 CA LEU A 77 -16.471 -12.584 -6.357 1.00 0.00 C ATOM 863 C LEU A 77 -15.779 -12.337 -7.711 1.00 0.00 C ATOM 864 O LEU A 77 -15.206 -11.277 -7.928 1.00 0.00 O ATOM 865 CB LEU A 77 -15.609 -13.507 -5.462 1.00 0.00 C ATOM 866 CG LEU A 77 -14.161 -13.032 -5.129 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.143 -11.750 -4.282 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.379 -14.156 -4.436 1.00 0.00 C ATOM 0 H LEU A 77 -17.840 -14.166 -6.242 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.593 -11.620 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.140 -13.656 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.541 -14.480 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.674 -12.790 -6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.111 -11.463 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.643 -10.948 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.662 -11.929 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.370 -13.811 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.884 -14.434 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.327 -15.023 -5.095 1.00 0.00 H new ATOM 880 N GLU A 78 -15.875 -13.328 -8.620 1.00 0.00 N ATOM 881 CA GLU A 78 -15.294 -13.252 -9.979 1.00 0.00 C ATOM 882 C GLU A 78 -15.999 -12.165 -10.805 1.00 0.00 C ATOM 883 O GLU A 78 -15.343 -11.380 -11.486 1.00 0.00 O ATOM 884 CB GLU A 78 -15.385 -14.636 -10.683 1.00 0.00 C ATOM 885 CG GLU A 78 -14.535 -15.728 -10.009 1.00 0.00 C ATOM 886 CD GLU A 78 -14.730 -17.127 -10.611 1.00 0.00 C ATOM 887 OE1 GLU A 78 -15.725 -17.799 -10.259 1.00 0.00 O ATOM 888 OE2 GLU A 78 -13.903 -17.552 -11.445 1.00 0.00 O ATOM 0 H GLU A 78 -16.359 -14.207 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.241 -12.982 -9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.426 -14.957 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.067 -14.528 -11.720 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.483 -15.454 -10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.780 -15.762 -8.947 1.00 0.00 H new ATOM 895 N ALA A 79 -17.338 -12.111 -10.688 1.00 0.00 N ATOM 896 CA ALA A 79 -18.175 -11.081 -11.338 1.00 0.00 C ATOM 897 C ALA A 79 -17.820 -9.685 -10.798 1.00 0.00 C ATOM 898 O ALA A 79 -17.780 -8.703 -11.549 1.00 0.00 O ATOM 899 CB ALA A 79 -19.670 -11.391 -11.118 1.00 0.00 C ATOM 0 H ALA A 79 -17.874 -12.782 -10.138 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.977 -11.092 -12.410 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.276 -10.625 -11.602 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.907 -12.365 -11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.886 -11.403 -10.050 1.00 0.00 H new ATOM 905 N ALA A 80 -17.527 -9.632 -9.485 1.00 0.00 N ATOM 906 CA ALA A 80 -17.107 -8.401 -8.803 1.00 0.00 C ATOM 907 C ALA A 80 -15.737 -7.919 -9.313 1.00 0.00 C ATOM 908 O ALA A 80 -15.542 -6.730 -9.560 1.00 0.00 O ATOM 909 CB ALA A 80 -17.078 -8.611 -7.283 1.00 0.00 C ATOM 0 H ALA A 80 -17.576 -10.444 -8.870 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.837 -7.625 -9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.765 -7.689 -6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.074 -8.886 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.375 -9.408 -7.039 1.00 0.00 H new ATOM 915 N LEU A 81 -14.809 -8.872 -9.492 1.00 0.00 N ATOM 916 CA LEU A 81 -13.438 -8.606 -9.969 1.00 0.00 C ATOM 917 C LEU A 81 -13.423 -8.132 -11.429 1.00 0.00 C ATOM 918 O LEU A 81 -12.575 -7.325 -11.817 1.00 0.00 O ATOM 919 CB LEU A 81 -12.564 -9.880 -9.816 1.00 0.00 C ATOM 920 CG LEU A 81 -12.257 -10.298 -8.349 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.512 -11.643 -8.281 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.482 -9.190 -7.619 1.00 0.00 C ATOM 0 H LEU A 81 -14.989 -9.859 -9.309 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.025 -7.805 -9.356 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.066 -10.708 -10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.620 -9.719 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.210 -10.437 -7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.317 -11.899 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.124 -12.421 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.567 -11.563 -8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.278 -9.503 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.541 -9.003 -8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.077 -8.277 -7.607 1.00 0.00 H new ATOM 934 N GLN A 82 -14.370 -8.650 -12.230 1.00 0.00 N ATOM 935 CA GLN A 82 -14.462 -8.354 -13.675 1.00 0.00 C ATOM 936 C GLN A 82 -15.331 -7.109 -13.951 1.00 0.00 C ATOM 937 O GLN A 82 -15.529 -6.740 -15.116 1.00 0.00 O ATOM 938 CB GLN A 82 -15.024 -9.595 -14.424 1.00 0.00 C ATOM 939 CG GLN A 82 -14.130 -10.852 -14.317 1.00 0.00 C ATOM 940 CD GLN A 82 -14.754 -12.113 -14.923 1.00 0.00 C ATOM 941 OE1 GLN A 82 -15.509 -12.051 -15.893 1.00 0.00 O ATOM 942 NE2 GLN A 82 -14.444 -13.270 -14.355 1.00 0.00 N ATOM 0 H GLN A 82 -15.094 -9.286 -11.896 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.461 -8.131 -14.043 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -16.012 -9.829 -14.027 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.155 -9.343 -15.476 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -13.181 -10.654 -14.814 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -13.907 -11.038 -13.267 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.815 -13.292 -13.552 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.834 -14.139 -14.721 1.00 0.00 H new ATOM 951 N PHE A 83 -15.828 -6.447 -12.888 1.00 0.00 N ATOM 952 CA PHE A 83 -16.687 -5.252 -13.016 1.00 0.00 C ATOM 953 C PHE A 83 -16.145 -4.119 -12.118 1.00 0.00 C ATOM 954 O PHE A 83 -15.976 -4.303 -10.906 1.00 0.00 O ATOM 955 CB PHE A 83 -18.150 -5.617 -12.664 1.00 0.00 C ATOM 956 CG PHE A 83 -19.171 -4.529 -12.979 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.303 -4.037 -14.278 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.001 -4.008 -11.989 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.230 -3.061 -14.577 1.00 0.00 C ATOM 960 CE2 PHE A 83 -20.931 -3.035 -12.291 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.044 -2.560 -13.585 1.00 0.00 C ATOM 0 H PHE A 83 -15.647 -6.722 -11.923 1.00 0.00 H new ATOM 0 HA PHE A 83 -16.673 -4.895 -14.046 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.425 -6.522 -13.206 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.206 -5.852 -11.601 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -18.669 -4.427 -15.061 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -19.916 -4.369 -10.975 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.318 -2.690 -15.587 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.572 -2.643 -11.515 1.00 0.00 H new ATOM 0 HZ PHE A 83 -21.771 -1.796 -13.818 1.00 0.00 H new ATOM 971 N GLU A 84 -15.903 -2.947 -12.738 1.00 0.00 N ATOM 972 CA GLU A 84 -15.170 -1.805 -12.134 1.00 0.00 C ATOM 973 C GLU A 84 -15.807 -1.278 -10.826 1.00 0.00 C ATOM 974 O GLU A 84 -15.094 -0.939 -9.879 1.00 0.00 O ATOM 975 CB GLU A 84 -15.047 -0.655 -13.171 1.00 0.00 C ATOM 976 CG GLU A 84 -16.399 -0.130 -13.700 1.00 0.00 C ATOM 977 CD GLU A 84 -16.256 1.044 -14.672 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.229 2.206 -14.217 1.00 0.00 O ATOM 979 OE2 GLU A 84 -16.141 0.810 -15.893 1.00 0.00 O ATOM 0 H GLU A 84 -16.215 -2.759 -13.691 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.183 -2.178 -11.860 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.502 0.172 -12.716 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.451 -1.004 -14.014 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.926 -0.943 -14.199 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.016 0.179 -12.856 1.00 0.00 H new ATOM 986 N ASP A 85 -17.149 -1.235 -10.784 1.00 0.00 N ATOM 987 CA ASP A 85 -17.910 -0.690 -9.638 1.00 0.00 C ATOM 988 C ASP A 85 -17.831 -1.619 -8.418 1.00 0.00 C ATOM 989 O ASP A 85 -17.895 -1.164 -7.272 1.00 0.00 O ATOM 990 CB ASP A 85 -19.394 -0.484 -10.028 1.00 0.00 C ATOM 991 CG ASP A 85 -19.582 0.499 -11.196 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.497 0.071 -12.365 1.00 0.00 O ATOM 993 OD2 ASP A 85 -19.821 1.699 -10.952 1.00 0.00 O ATOM 0 H ASP A 85 -17.741 -1.576 -11.542 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.462 0.268 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -19.829 -1.446 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.943 -0.117 -9.161 1.00 0.00 H new ATOM 998 N THR A 86 -17.709 -2.921 -8.686 1.00 0.00 N ATOM 999 CA THR A 86 -17.763 -3.965 -7.657 1.00 0.00 C ATOM 1000 C THR A 86 -16.360 -4.497 -7.272 1.00 0.00 C ATOM 1001 O THR A 86 -16.239 -5.261 -6.307 1.00 0.00 O ATOM 1002 CB THR A 86 -18.691 -5.123 -8.145 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.308 -5.520 -9.467 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.179 -4.715 -8.157 1.00 0.00 C ATOM 0 H THR A 86 -17.569 -3.284 -9.629 1.00 0.00 H new ATOM 0 HA THR A 86 -18.176 -3.523 -6.750 1.00 0.00 H new ATOM 0 HB THR A 86 -18.574 -5.949 -7.444 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.360 -5.769 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.783 -5.553 -8.503 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.488 -4.437 -7.149 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.318 -3.866 -8.827 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.293 -4.089 -8.006 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.899 -4.499 -7.672 1.00 0.00 C ATOM 1014 C ARG A 87 -13.265 -3.543 -6.640 1.00 0.00 C ATOM 1015 O ARG A 87 -12.115 -3.729 -6.227 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.026 -4.672 -8.965 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.847 -3.413 -9.848 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.626 -2.547 -9.482 1.00 0.00 C ATOM 1019 NE ARG A 87 -11.656 -1.244 -10.172 1.00 0.00 N ATOM 1020 CZ ARG A 87 -10.689 -0.734 -10.950 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -9.629 -1.454 -11.304 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -10.802 0.495 -11.405 1.00 0.00 N ATOM 0 H ARG A 87 -15.366 -3.484 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.939 -5.480 -7.198 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.038 -5.023 -8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.472 -5.457 -9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.758 -3.724 -10.889 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.746 -2.801 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.603 -2.388 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.711 -3.078 -9.746 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.493 -0.675 -10.046 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.537 -2.418 -10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.908 -1.043 -11.896 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.621 1.054 -11.166 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.071 0.889 -11.997 1.00 0.00 H new ATOM 1036 N GLU A 88 -14.053 -2.543 -6.208 1.00 0.00 N ATOM 1037 CA GLU A 88 -13.636 -1.533 -5.219 1.00 0.00 C ATOM 1038 C GLU A 88 -13.556 -2.149 -3.809 1.00 0.00 C ATOM 1039 O GLU A 88 -12.543 -2.012 -3.108 1.00 0.00 O ATOM 1040 CB GLU A 88 -14.641 -0.346 -5.239 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.868 0.280 -6.632 1.00 0.00 C ATOM 1042 CD GLU A 88 -13.595 0.891 -7.242 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -13.219 2.011 -6.851 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -12.953 0.246 -8.094 1.00 0.00 O ATOM 0 H GLU A 88 -15.009 -2.412 -6.540 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.643 -1.168 -5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.599 -0.691 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.282 0.428 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.255 -0.484 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -15.632 1.053 -6.554 1.00 0.00 H new ATOM 1051 N SER A 89 -14.633 -2.855 -3.419 1.00 0.00 N ATOM 1052 CA SER A 89 -14.748 -3.510 -2.098 1.00 0.00 C ATOM 1053 C SER A 89 -13.820 -4.739 -2.003 1.00 0.00 C ATOM 1054 O SER A 89 -13.487 -5.191 -0.903 1.00 0.00 O ATOM 1055 CB SER A 89 -16.220 -3.915 -1.848 1.00 0.00 C ATOM 1056 OG SER A 89 -16.417 -4.471 -0.553 1.00 0.00 O ATOM 0 H SER A 89 -15.452 -2.989 -4.012 1.00 0.00 H new ATOM 0 HA SER A 89 -14.435 -2.804 -1.329 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.860 -3.040 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.528 -4.639 -2.602 1.00 0.00 H new ATOM 0 HG SER A 89 -17.361 -4.710 -0.440 1.00 0.00 H new ATOM 1062 N MET A 90 -13.386 -5.251 -3.174 1.00 0.00 N ATOM 1063 CA MET A 90 -12.490 -6.425 -3.269 1.00 0.00 C ATOM 1064 C MET A 90 -11.104 -6.143 -2.660 1.00 0.00 C ATOM 1065 O MET A 90 -10.390 -7.075 -2.297 1.00 0.00 O ATOM 1066 CB MET A 90 -12.348 -6.875 -4.739 1.00 0.00 C ATOM 1067 CG MET A 90 -13.663 -7.293 -5.411 1.00 0.00 C ATOM 1068 SD MET A 90 -14.503 -8.626 -4.541 1.00 0.00 S ATOM 1069 CE MET A 90 -15.917 -7.804 -3.814 1.00 0.00 C ATOM 0 H MET A 90 -13.646 -4.863 -4.081 1.00 0.00 H new ATOM 0 HA MET A 90 -12.944 -7.230 -2.691 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.905 -6.061 -5.313 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.651 -7.712 -4.783 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.326 -6.430 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.458 -7.607 -6.435 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.204 -8.317 -2.896 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.659 -6.770 -3.587 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.750 -7.824 -4.516 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.741 -4.846 -2.546 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.483 -4.404 -1.901 1.00 0.00 C ATOM 1081 C HIS A 91 -9.435 -4.851 -0.423 1.00 0.00 C ATOM 1082 O HIS A 91 -8.364 -5.188 0.098 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.333 -2.862 -2.004 1.00 0.00 C ATOM 1084 CG HIS A 91 -9.074 -2.348 -3.400 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -8.024 -1.509 -3.706 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -9.748 -2.531 -4.563 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -8.071 -1.193 -4.983 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -9.103 -1.805 -5.526 1.00 0.00 N ATOM 0 H HIS A 91 -11.311 -4.077 -2.898 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.650 -4.872 -2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.241 -2.395 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.515 -2.546 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.631 -3.138 -4.703 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.380 -0.542 -5.498 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.377 -1.747 -6.507 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.615 -4.866 0.230 1.00 0.00 N ATOM 1098 CA ALA A 92 -10.760 -5.331 1.624 1.00 0.00 C ATOM 1099 C ALA A 92 -10.536 -6.852 1.724 1.00 0.00 C ATOM 1100 O ALA A 92 -9.796 -7.323 2.596 1.00 0.00 O ATOM 1101 CB ALA A 92 -12.144 -4.947 2.176 1.00 0.00 C ATOM 0 H ALA A 92 -11.491 -4.557 -0.192 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.998 -4.840 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.235 -5.297 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.258 -3.863 2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.920 -5.409 1.565 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.160 -7.605 0.796 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.068 -9.086 0.752 1.00 0.00 C ATOM 1109 C PHE A 93 -9.688 -9.549 0.243 1.00 0.00 C ATOM 1110 O PHE A 93 -9.327 -10.718 0.399 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.197 -9.670 -0.141 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.599 -9.219 0.272 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.177 -9.677 1.450 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.324 -8.315 -0.502 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.432 -9.251 1.835 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.581 -7.886 -0.113 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.133 -8.356 1.054 1.00 0.00 C ATOM 0 H PHE A 93 -11.741 -7.210 0.057 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.191 -9.459 1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.020 -9.376 -1.175 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.150 -10.758 -0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.637 -10.375 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.897 -7.943 -1.422 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.867 -9.620 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.127 -7.183 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.115 -8.025 1.359 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.938 -8.619 -0.385 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.582 -8.880 -0.896 1.00 0.00 C ATOM 1129 C CYS A 94 -6.607 -9.038 0.284 1.00 0.00 C ATOM 1130 O CYS A 94 -6.026 -8.061 0.772 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.139 -7.743 -1.849 1.00 0.00 C ATOM 1132 SG CYS A 94 -5.544 -8.019 -2.656 1.00 0.00 S ATOM 0 H CYS A 94 -9.259 -7.665 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.581 -9.808 -1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -7.902 -7.611 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.090 -6.812 -1.285 1.00 0.00 H new ATOM 0 HG CYS A 94 -5.270 -7.012 -3.431 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.499 -10.282 0.771 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.672 -10.639 1.941 1.00 0.00 C ATOM 1140 C VAL A 95 -4.175 -10.704 1.573 1.00 0.00 C ATOM 1141 O VAL A 95 -3.300 -10.524 2.434 1.00 0.00 O ATOM 1142 CB VAL A 95 -6.145 -12.011 2.552 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -7.595 -11.907 3.086 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -6.019 -13.161 1.517 1.00 0.00 C ATOM 0 H VAL A 95 -6.987 -11.079 0.362 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.800 -9.857 2.689 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.490 -12.245 3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.899 -12.867 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.643 -11.143 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.265 -11.638 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.353 -14.095 1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.637 -12.937 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.979 -13.259 1.207 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.909 -10.969 0.284 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.551 -11.062 -0.234 1.00 0.00 C ATOM 1156 C GLY A 96 -2.511 -11.541 -1.677 1.00 0.00 C ATOM 1157 O GLY A 96 -3.550 -11.821 -2.276 1.00 0.00 O ATOM 0 H GLY A 96 -4.632 -11.123 -0.419 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.071 -10.086 -0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.974 -11.745 0.389 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.295 -11.604 -2.233 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.041 -12.087 -3.599 1.00 0.00 C ATOM 1163 C GLN A 97 -0.586 -13.541 -3.518 1.00 0.00 C ATOM 1164 O GLN A 97 0.266 -13.872 -2.690 1.00 0.00 O ATOM 1165 CB GLN A 97 0.063 -11.230 -4.288 1.00 0.00 C ATOM 1166 CG GLN A 97 0.466 -11.711 -5.697 1.00 0.00 C ATOM 1167 CD GLN A 97 1.668 -10.975 -6.276 1.00 0.00 C ATOM 1168 OE1 GLN A 97 2.807 -11.377 -6.058 1.00 0.00 O ATOM 1169 NE2 GLN A 97 1.433 -9.891 -7.000 1.00 0.00 N ATOM 0 H GLN A 97 -0.448 -11.318 -1.742 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.954 -12.005 -4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.286 -10.200 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.949 -11.225 -3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.689 -12.777 -5.657 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.383 -11.588 -6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.474 -9.584 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.211 -9.363 -7.395 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.155 -14.398 -4.371 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.713 -15.788 -4.492 1.00 0.00 C ATOM 1180 C TYR A 98 0.637 -15.832 -5.201 1.00 0.00 C ATOM 1181 O TYR A 98 0.806 -15.247 -6.278 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.734 -16.644 -5.262 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.322 -18.117 -5.433 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.167 -18.954 -4.325 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.094 -18.671 -6.699 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -0.796 -20.278 -4.473 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -0.728 -19.992 -6.846 1.00 0.00 C ATOM 1188 CZ TYR A 98 -0.579 -20.792 -5.734 1.00 0.00 C ATOM 1189 OH TYR A 98 -0.213 -22.114 -5.891 1.00 0.00 O ATOM 0 H TYR A 98 -1.927 -14.150 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.621 -16.203 -3.488 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.691 -16.604 -4.741 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.889 -16.205 -6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.340 -18.560 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.207 -18.052 -7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.677 -20.907 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.558 -20.399 -7.832 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.102 -22.312 -6.844 1.00 0.00 H new ATOM 1199 N LEU A 99 1.575 -16.537 -4.588 1.00 0.00 N ATOM 1200 CA LEU A 99 2.914 -16.719 -5.110 1.00 0.00 C ATOM 1201 C LEU A 99 3.242 -18.213 -5.006 1.00 0.00 C ATOM 1202 O LEU A 99 3.067 -18.826 -3.945 1.00 0.00 O ATOM 1203 CB LEU A 99 3.903 -15.804 -4.322 1.00 0.00 C ATOM 1204 CG LEU A 99 5.359 -15.623 -4.886 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.283 -16.785 -4.495 1.00 0.00 C ATOM 1206 CD2 LEU A 99 5.358 -15.390 -6.415 1.00 0.00 C ATOM 0 H LEU A 99 1.420 -17.007 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 99 3.000 -16.425 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.451 -14.815 -4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.985 -16.198 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 99 5.764 -14.725 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.277 -16.614 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.347 -16.849 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.881 -17.718 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.383 -15.270 -6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.902 -16.246 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.788 -14.490 -6.646 1.00 0.00 H new ATOM 1218 N GLU A 100 3.675 -18.790 -6.134 1.00 0.00 N ATOM 1219 CA GLU A 100 4.015 -20.211 -6.242 1.00 0.00 C ATOM 1220 C GLU A 100 5.449 -20.462 -5.727 1.00 0.00 C ATOM 1221 O GLU A 100 6.334 -19.631 -5.966 1.00 0.00 O ATOM 1222 CB GLU A 100 3.881 -20.647 -7.721 1.00 0.00 C ATOM 1223 CG GLU A 100 2.445 -20.556 -8.268 1.00 0.00 C ATOM 1224 CD GLU A 100 2.298 -21.102 -9.696 1.00 0.00 C ATOM 1225 OE1 GLU A 100 2.092 -22.326 -9.852 1.00 0.00 O ATOM 1226 OE2 GLU A 100 2.397 -20.314 -10.666 1.00 0.00 O ATOM 0 H GLU A 100 3.800 -18.276 -7.006 1.00 0.00 H new ATOM 0 HA GLU A 100 3.333 -20.799 -5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.533 -20.025 -8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 100 4.233 -21.674 -7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 100 1.777 -21.107 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.123 -19.515 -8.251 1.00 0.00 H new ATOM 1233 N PRO A 101 5.704 -21.610 -5.015 1.00 0.00 N ATOM 1234 CA PRO A 101 7.060 -21.950 -4.487 1.00 0.00 C ATOM 1235 C PRO A 101 8.105 -22.050 -5.621 1.00 0.00 C ATOM 1236 O PRO A 101 9.279 -21.692 -5.455 1.00 0.00 O ATOM 1237 CB PRO A 101 6.846 -23.326 -3.791 1.00 0.00 C ATOM 1238 CG PRO A 101 5.579 -23.869 -4.389 1.00 0.00 C ATOM 1239 CD PRO A 101 4.712 -22.662 -4.660 1.00 0.00 C ATOM 0 HA PRO A 101 7.449 -21.189 -3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.687 -23.995 -3.972 1.00 0.00 H new ATOM 0 HB3 PRO A 101 6.756 -23.213 -2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.783 -24.420 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 101 5.087 -24.560 -3.705 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.009 -22.844 -5.473 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.124 -22.383 -3.786 1.00 0.00 H new ATOM 1247 N ASP A 102 7.626 -22.542 -6.777 1.00 0.00 N ATOM 1248 CA ASP A 102 8.403 -22.650 -8.015 1.00 0.00 C ATOM 1249 C ASP A 102 8.661 -21.251 -8.605 1.00 0.00 C ATOM 1250 O ASP A 102 9.759 -20.971 -9.060 1.00 0.00 O ATOM 1251 CB ASP A 102 7.653 -23.546 -9.040 1.00 0.00 C ATOM 1252 CG ASP A 102 8.430 -23.742 -10.359 1.00 0.00 C ATOM 1253 OD1 ASP A 102 9.360 -24.577 -10.389 1.00 0.00 O ATOM 1254 OD2 ASP A 102 8.122 -23.065 -11.361 1.00 0.00 O ATOM 0 H ASP A 102 6.669 -22.881 -6.874 1.00 0.00 H new ATOM 0 HA ASP A 102 9.365 -23.111 -7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.462 -24.520 -8.590 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.683 -23.101 -9.260 1.00 0.00 H new ATOM 1259 N GLN A 103 7.636 -20.371 -8.536 1.00 0.00 N ATOM 1260 CA GLN A 103 7.690 -19.012 -9.124 1.00 0.00 C ATOM 1261 C GLN A 103 8.710 -18.114 -8.396 1.00 0.00 C ATOM 1262 O GLN A 103 9.335 -17.246 -9.015 1.00 0.00 O ATOM 1263 CB GLN A 103 6.285 -18.355 -9.116 1.00 0.00 C ATOM 1264 CG GLN A 103 6.185 -16.988 -9.837 1.00 0.00 C ATOM 1265 CD GLN A 103 6.587 -17.019 -11.324 1.00 0.00 C ATOM 1266 OE1 GLN A 103 6.417 -18.024 -12.015 1.00 0.00 O ATOM 1267 NE2 GLN A 103 7.111 -15.910 -11.831 1.00 0.00 N ATOM 0 H GLN A 103 6.752 -20.581 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 103 8.022 -19.117 -10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.578 -19.043 -9.580 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.970 -18.224 -8.081 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.161 -16.624 -9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.819 -16.270 -9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 103 7.242 -15.090 -11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.383 -15.877 -12.814 1.00 0.00 H new