USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 469 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 3 TYR OH : rot 30:sc= -3.47! USER MOD Set 1.2: A 45 TYR OH : rot 60:sc= -0.623 USER MOD Single : A 1 THR N :NH3+ 165:sc= -0.259 (180deg=-0.369) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 2 THR OG1 : rot 180:sc= -2.04 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.128 (180deg=-0.534) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= -0.104 (180deg=-0.458) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.926 (180deg=0.894) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -110:sc= -2.07! USER MOD Single : A 44 THR OG1 : rot 5:sc= 0.769 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0136 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 2.785 -14.549 2.418 1.00 0.00 N ATOM 2 CA THR A 1 3.103 -14.631 0.970 1.00 0.00 C ATOM 3 C THR A 1 3.678 -13.316 0.454 1.00 0.00 C ATOM 4 O THR A 1 3.393 -12.247 0.995 1.00 0.00 O ATOM 5 CB THR A 1 1.823 -14.981 0.208 1.00 0.00 C ATOM 6 OG1 THR A 1 1.128 -16.034 0.852 1.00 0.00 O ATOM 7 CG2 THR A 1 2.078 -15.411 -1.223 1.00 0.00 C ATOM 0 H1 THR A 1 2.172 -15.346 2.685 1.00 0.00 H new ATOM 0 H2 THR A 1 3.666 -14.590 2.970 1.00 0.00 H new ATOM 0 H3 THR A 1 2.294 -13.654 2.615 1.00 0.00 H new ATOM 0 HA THR A 1 3.857 -15.402 0.814 1.00 0.00 H new ATOM 0 HB THR A 1 1.233 -14.065 0.198 1.00 0.00 H new ATOM 0 HG1 THR A 1 0.312 -16.242 0.351 1.00 0.00 H new ATOM 0 HG21 THR A 1 1.130 -15.645 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 1 2.572 -14.603 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 1 2.716 -16.295 -1.229 1.00 0.00 H new ATOM 17 N THR A 2 4.488 -13.402 -0.596 1.00 0.00 N ATOM 18 CA THR A 2 5.105 -12.222 -1.185 1.00 0.00 C ATOM 19 C THR A 2 4.050 -11.310 -1.808 1.00 0.00 C ATOM 20 O THR A 2 3.554 -11.585 -2.903 1.00 0.00 O ATOM 21 CB THR A 2 6.134 -12.631 -2.242 1.00 0.00 C ATOM 22 OG1 THR A 2 7.083 -13.531 -1.698 1.00 0.00 O ATOM 23 CG2 THR A 2 6.895 -11.461 -2.823 1.00 0.00 C ATOM 0 H THR A 2 4.732 -14.279 -1.056 1.00 0.00 H new ATOM 0 HA THR A 2 5.611 -11.672 -0.391 1.00 0.00 H new ATOM 0 HB THR A 2 5.556 -13.099 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.731 -13.781 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.607 -11.822 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.196 -10.771 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.431 -10.944 -2.027 1.00 0.00 H new ATOM 31 N TYR A 3 3.718 -10.241 -1.106 1.00 0.00 N ATOM 32 CA TYR A 3 2.723 -9.291 -1.589 1.00 0.00 C ATOM 33 C TYR A 3 3.355 -8.268 -2.524 1.00 0.00 C ATOM 34 O TYR A 3 4.571 -8.070 -2.514 1.00 0.00 O ATOM 35 CB TYR A 3 2.069 -8.559 -0.420 1.00 0.00 C ATOM 36 CG TYR A 3 1.001 -9.345 0.297 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.997 -10.734 0.290 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.010 -8.686 0.979 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.010 -11.446 0.945 1.00 0.00 C ATOM 40 CE2 TYR A 3 -0.999 -9.389 1.638 1.00 0.00 C ATOM 41 CZ TYR A 3 -0.985 -10.769 1.617 1.00 0.00 C ATOM 42 OH TYR A 3 -1.970 -11.475 2.271 1.00 0.00 O ATOM 0 H TYR A 3 4.121 -10.006 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 3 1.967 -9.855 -2.135 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.842 -8.284 0.297 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.632 -7.631 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.777 -11.266 -0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -0.024 -7.606 0.995 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.018 -12.526 0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.779 -8.862 2.167 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.609 -12.333 2.577 1.00 0.00 H new ATOM 52 N LYS A 4 2.517 -7.607 -3.320 1.00 0.00 N ATOM 53 CA LYS A 4 2.990 -6.591 -4.253 1.00 0.00 C ATOM 54 C LYS A 4 2.106 -5.348 -4.200 1.00 0.00 C ATOM 55 O LYS A 4 0.879 -5.444 -4.199 1.00 0.00 O ATOM 56 CB LYS A 4 3.024 -7.150 -5.676 1.00 0.00 C ATOM 57 CG LYS A 4 4.253 -6.728 -6.467 1.00 0.00 C ATOM 58 CD LYS A 4 4.499 -7.650 -7.649 1.00 0.00 C ATOM 59 CE LYS A 4 3.384 -7.549 -8.677 1.00 0.00 C ATOM 60 NZ LYS A 4 3.121 -6.138 -9.074 1.00 0.00 N ATOM 0 H LYS A 4 1.508 -7.758 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 4 4.001 -6.307 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.987 -8.238 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.130 -6.823 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.125 -5.706 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.126 -6.731 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.450 -7.397 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.580 -8.679 -7.298 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.650 -8.131 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.473 -7.987 -8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.549 -6.123 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.606 -5.653 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.024 -5.652 -9.246 1.00 0.00 H new ATOM 74 N LEU A 5 2.741 -4.181 -4.147 1.00 0.00 N ATOM 75 CA LEU A 5 2.022 -2.911 -4.085 1.00 0.00 C ATOM 76 C LEU A 5 2.350 -2.023 -5.260 1.00 0.00 C ATOM 77 O LEU A 5 3.496 -1.949 -5.704 1.00 0.00 O ATOM 78 CB LEU A 5 2.378 -2.114 -2.828 1.00 0.00 C ATOM 79 CG LEU A 5 1.507 -0.872 -2.593 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.030 -1.216 -2.680 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.828 -0.229 -1.253 1.00 0.00 C ATOM 0 H LEU A 5 3.757 -4.088 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 5 0.966 -3.180 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.294 -2.770 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.421 -1.804 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 5 1.734 -0.153 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.563 -0.318 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.193 -1.616 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.215 -1.962 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.198 0.649 -1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.641 -0.944 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.876 0.070 -1.235 1.00 0.00 H new ATOM 93 N ILE A 6 1.349 -1.298 -5.716 1.00 0.00 N ATOM 94 CA ILE A 6 1.540 -0.355 -6.787 1.00 0.00 C ATOM 95 C ILE A 6 0.755 0.913 -6.484 1.00 0.00 C ATOM 96 O ILE A 6 -0.473 0.886 -6.393 1.00 0.00 O ATOM 97 CB ILE A 6 1.103 -0.927 -8.150 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.768 -2.282 -8.395 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.441 0.047 -9.268 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.278 -2.209 -8.472 1.00 0.00 C ATOM 0 H ILE A 6 0.395 -1.347 -5.358 1.00 0.00 H new ATOM 0 HA ILE A 6 2.605 -0.135 -6.854 1.00 0.00 H new ATOM 0 HB ILE A 6 0.023 -1.071 -8.137 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.486 -2.966 -7.595 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.385 -2.703 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.126 -0.372 -10.223 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.923 0.991 -9.097 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.517 0.222 -9.286 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.682 -3.206 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.569 -1.550 -9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.672 -1.818 -7.534 1.00 0.00 H new ATOM 112 N LEU A 7 1.465 2.020 -6.309 1.00 0.00 N ATOM 113 CA LEU A 7 0.822 3.287 -5.993 1.00 0.00 C ATOM 114 C LEU A 7 0.715 4.164 -7.229 1.00 0.00 C ATOM 115 O LEU A 7 1.691 4.359 -7.953 1.00 0.00 O ATOM 116 CB LEU A 7 1.587 4.020 -4.891 1.00 0.00 C ATOM 117 CG LEU A 7 1.976 3.159 -3.688 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.153 2.259 -4.034 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.306 4.036 -2.491 1.00 0.00 C ATOM 0 H LEU A 7 2.481 2.066 -6.380 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.185 3.072 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.493 4.446 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.978 4.853 -4.540 1.00 0.00 H new ATOM 0 HG LEU A 7 1.127 2.527 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.416 1.654 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.880 1.606 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.007 2.872 -4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.581 3.407 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.139 4.693 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.435 4.637 -2.229 1.00 0.00 H new ATOM 131 N ASN A 8 -0.480 4.686 -7.467 1.00 0.00 N ATOM 132 CA ASN A 8 -0.712 5.543 -8.624 1.00 0.00 C ATOM 133 C ASN A 8 -1.180 6.930 -8.197 1.00 0.00 C ATOM 134 O ASN A 8 -2.025 7.066 -7.311 1.00 0.00 O ATOM 135 CB ASN A 8 -1.736 4.904 -9.566 1.00 0.00 C ATOM 136 CG ASN A 8 -1.100 4.381 -10.839 1.00 0.00 C ATOM 137 OD1 ASN A 8 -0.784 3.196 -10.947 1.00 0.00 O ATOM 138 ND2 ASN A 8 -0.907 5.265 -11.810 1.00 0.00 N ATOM 0 H ASN A 8 -1.300 4.533 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 8 0.234 5.653 -9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.239 4.085 -9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.501 5.638 -9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.481 4.972 -12.689 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.184 6.237 -11.677 1.00 0.00 H new ATOM 145 N LEU A 9 -0.627 7.953 -8.839 1.00 0.00 N ATOM 146 CA LEU A 9 -0.990 9.336 -8.529 1.00 0.00 C ATOM 147 C LEU A 9 -1.358 10.095 -9.800 1.00 0.00 C ATOM 148 O LEU A 9 -2.413 10.723 -9.878 1.00 0.00 O ATOM 149 CB LEU A 9 0.164 10.060 -7.803 1.00 0.00 C ATOM 150 CG LEU A 9 0.433 9.577 -6.374 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.296 8.322 -6.379 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.097 10.678 -5.560 1.00 0.00 C ATOM 0 H LEU A 9 0.072 7.854 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.857 9.312 -7.869 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.075 9.939 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.057 11.127 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.522 9.329 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.473 7.998 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.784 7.530 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.249 8.538 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.282 10.320 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.043 10.955 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.442 11.549 -5.523 1.00 0.00 H new ATOM 164 N LYS A 10 -0.480 10.030 -10.794 1.00 0.00 N ATOM 165 CA LYS A 10 -0.712 10.709 -12.062 1.00 0.00 C ATOM 166 C LYS A 10 0.058 10.030 -13.185 1.00 0.00 C ATOM 167 O LYS A 10 -0.529 9.558 -14.161 1.00 0.00 O ATOM 168 CB LYS A 10 -0.299 12.180 -11.961 1.00 0.00 C ATOM 169 CG LYS A 10 -1.426 13.093 -11.497 1.00 0.00 C ATOM 170 CD LYS A 10 -1.027 13.895 -10.270 1.00 0.00 C ATOM 171 CE LYS A 10 -1.856 15.163 -10.137 1.00 0.00 C ATOM 172 NZ LYS A 10 -1.570 16.127 -11.233 1.00 0.00 N ATOM 0 H LYS A 10 0.399 9.514 -10.746 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.777 10.654 -12.288 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.538 12.268 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.055 12.518 -12.935 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.700 13.773 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.309 12.496 -11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.152 13.282 -9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.030 14.155 -10.332 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.916 14.907 -10.145 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.649 15.633 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.825 17.087 -10.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.557 16.096 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.127 15.872 -12.073 1.00 0.00 H new ATOM 186 N GLN A 11 1.382 9.984 -13.050 1.00 0.00 N ATOM 187 CA GLN A 11 2.232 9.360 -14.052 1.00 0.00 C ATOM 188 C GLN A 11 3.170 8.343 -13.409 1.00 0.00 C ATOM 189 O GLN A 11 3.055 7.141 -13.647 1.00 0.00 O ATOM 190 CB GLN A 11 3.043 10.425 -14.798 1.00 0.00 C ATOM 191 CG GLN A 11 2.350 10.955 -16.045 1.00 0.00 C ATOM 192 CD GLN A 11 3.322 11.519 -17.057 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.731 10.832 -17.994 1.00 0.00 O ATOM 194 NE2 GLN A 11 3.698 12.780 -16.877 1.00 0.00 N ATOM 0 H GLN A 11 1.887 10.373 -12.254 1.00 0.00 H new ATOM 0 HA GLN A 11 1.593 8.838 -14.764 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.243 11.257 -14.122 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.008 10.004 -15.080 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.777 10.151 -16.507 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.639 11.730 -15.759 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.334 13.313 -16.087 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.350 13.216 -17.529 1.00 0.00 H new ATOM 203 N ALA A 12 4.102 8.835 -12.599 1.00 0.00 N ATOM 204 CA ALA A 12 5.056 7.966 -11.919 1.00 0.00 C ATOM 205 C ALA A 12 4.338 6.990 -10.995 1.00 0.00 C ATOM 206 O ALA A 12 3.384 7.359 -10.309 1.00 0.00 O ATOM 207 CB ALA A 12 6.059 8.795 -11.134 1.00 0.00 C ATOM 0 H ALA A 12 4.217 9.828 -12.398 1.00 0.00 H new ATOM 0 HA ALA A 12 5.591 7.390 -12.674 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.764 8.133 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.600 9.452 -11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.533 9.395 -10.391 1.00 0.00 H new ATOM 213 N LYS A 13 4.795 5.741 -10.979 1.00 0.00 N ATOM 214 CA LYS A 13 4.187 4.716 -10.137 1.00 0.00 C ATOM 215 C LYS A 13 5.209 4.127 -9.168 1.00 0.00 C ATOM 216 O LYS A 13 6.322 3.771 -9.561 1.00 0.00 O ATOM 217 CB LYS A 13 3.589 3.595 -11.008 1.00 0.00 C ATOM 218 CG LYS A 13 4.618 2.915 -11.901 1.00 0.00 C ATOM 219 CD LYS A 13 4.054 1.655 -12.537 1.00 0.00 C ATOM 220 CE LYS A 13 2.912 1.971 -13.491 1.00 0.00 C ATOM 221 NZ LYS A 13 1.731 1.098 -13.253 1.00 0.00 N ATOM 0 H LYS A 13 5.583 5.415 -11.539 1.00 0.00 H new ATOM 0 HA LYS A 13 3.391 5.185 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.128 2.848 -10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.796 4.011 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.938 3.606 -12.681 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.502 2.664 -11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.845 1.134 -13.076 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.701 0.980 -11.757 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.621 3.015 -13.375 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.253 1.848 -14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.976 1.346 -13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.002 0.103 -13.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.389 1.234 -12.280 1.00 0.00 H new ATOM 235 N GLU A 14 4.822 4.029 -7.906 1.00 0.00 N ATOM 236 CA GLU A 14 5.694 3.479 -6.872 1.00 0.00 C ATOM 237 C GLU A 14 5.359 2.014 -6.606 1.00 0.00 C ATOM 238 O GLU A 14 4.250 1.561 -6.891 1.00 0.00 O ATOM 239 CB GLU A 14 5.569 4.293 -5.580 1.00 0.00 C ATOM 240 CG GLU A 14 6.836 5.048 -5.216 1.00 0.00 C ATOM 241 CD GLU A 14 7.941 4.130 -4.729 1.00 0.00 C ATOM 242 OE1 GLU A 14 7.930 3.770 -3.533 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.817 3.771 -5.544 1.00 0.00 O ATOM 0 H GLU A 14 3.906 4.324 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 14 6.723 3.539 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.749 5.004 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.307 3.623 -4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.187 5.603 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.609 5.780 -4.441 1.00 0.00 H new ATOM 250 N GLU A 15 6.324 1.273 -6.069 1.00 0.00 N ATOM 251 CA GLU A 15 6.125 -0.144 -5.779 1.00 0.00 C ATOM 252 C GLU A 15 6.439 -0.469 -4.319 1.00 0.00 C ATOM 253 O GLU A 15 7.118 0.294 -3.631 1.00 0.00 O ATOM 254 CB GLU A 15 7.001 -0.994 -6.702 1.00 0.00 C ATOM 255 CG GLU A 15 6.957 -0.554 -8.156 1.00 0.00 C ATOM 256 CD GLU A 15 7.646 -1.536 -9.083 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.261 -2.725 -9.081 1.00 0.00 O ATOM 258 OE2 GLU A 15 8.568 -1.119 -9.806 1.00 0.00 O ATOM 0 H GLU A 15 7.249 1.628 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 15 5.075 -0.377 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.032 -0.954 -6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.682 -2.034 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.918 -0.436 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.431 0.423 -8.251 1.00 0.00 H new ATOM 265 N ALA A 16 5.945 -1.618 -3.862 1.00 0.00 N ATOM 266 CA ALA A 16 6.165 -2.076 -2.501 1.00 0.00 C ATOM 267 C ALA A 16 5.850 -3.562 -2.409 1.00 0.00 C ATOM 268 O ALA A 16 4.924 -4.048 -3.050 1.00 0.00 O ATOM 269 CB ALA A 16 5.292 -1.288 -1.517 1.00 0.00 C ATOM 0 H ALA A 16 5.382 -2.253 -4.428 1.00 0.00 H new ATOM 0 HA ALA A 16 7.209 -1.910 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.472 -1.646 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.542 -0.229 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.241 -1.428 -1.770 1.00 0.00 H new ATOM 275 N ILE A 17 6.624 -4.280 -1.617 1.00 0.00 N ATOM 276 CA ILE A 17 6.417 -5.714 -1.456 1.00 0.00 C ATOM 277 C ILE A 17 6.526 -6.132 -0.002 1.00 0.00 C ATOM 278 O ILE A 17 7.358 -5.617 0.744 1.00 0.00 O ATOM 279 CB ILE A 17 7.424 -6.542 -2.268 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.838 -5.960 -2.134 1.00 0.00 C ATOM 281 CG2 ILE A 17 7.002 -6.619 -3.729 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.060 -4.692 -2.932 1.00 0.00 C ATOM 0 H ILE A 17 7.400 -3.899 -1.075 1.00 0.00 H new ATOM 0 HA ILE A 17 5.410 -5.910 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 17 7.438 -7.555 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.037 -5.755 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.561 -6.710 -2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.729 -7.210 -4.287 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.021 -7.089 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.954 -5.614 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.082 -4.344 -2.785 1.00 0.00 H new ATOM 0 HD12 ILE A 17 8.895 -4.894 -3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.363 -3.924 -2.596 1.00 0.00 H new ATOM 294 N LYS A 18 5.674 -7.067 0.398 1.00 0.00 N ATOM 295 CA LYS A 18 5.675 -7.550 1.770 1.00 0.00 C ATOM 296 C LYS A 18 5.353 -9.041 1.834 1.00 0.00 C ATOM 297 O LYS A 18 4.295 -9.480 1.388 1.00 0.00 O ATOM 298 CB LYS A 18 4.668 -6.750 2.596 1.00 0.00 C ATOM 299 CG LYS A 18 4.699 -5.263 2.293 1.00 0.00 C ATOM 300 CD LYS A 18 5.944 -4.586 2.855 1.00 0.00 C ATOM 301 CE LYS A 18 6.368 -3.404 1.996 1.00 0.00 C ATOM 302 NZ LYS A 18 7.848 -3.328 1.852 1.00 0.00 N ATOM 0 H LYS A 18 4.977 -7.503 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 18 6.674 -7.411 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.665 -7.133 2.406 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.872 -6.903 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.662 -5.113 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.810 -4.790 2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.748 -4.247 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.759 -5.308 2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.911 -3.489 1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.998 -2.480 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.093 -2.573 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.277 -3.121 2.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.210 -4.237 1.499 1.00 0.00 H new ATOM 316 N GLU A 19 6.278 -9.815 2.395 1.00 0.00 N ATOM 317 CA GLU A 19 6.095 -11.252 2.521 1.00 0.00 C ATOM 318 C GLU A 19 5.546 -11.620 3.895 1.00 0.00 C ATOM 319 O GLU A 19 6.233 -11.476 4.907 1.00 0.00 O ATOM 320 CB GLU A 19 7.424 -11.976 2.284 1.00 0.00 C ATOM 321 CG GLU A 19 7.672 -12.341 0.828 1.00 0.00 C ATOM 322 CD GLU A 19 8.977 -13.077 0.627 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.992 -12.668 1.229 1.00 0.00 O ATOM 324 OE2 GLU A 19 8.988 -14.071 -0.133 1.00 0.00 O ATOM 0 H GLU A 19 7.161 -9.468 2.769 1.00 0.00 H new ATOM 0 HA GLU A 19 5.372 -11.565 1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.239 -11.343 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.445 -12.885 2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.851 -12.960 0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.675 -11.433 0.225 1.00 0.00 H new ATOM 331 N ALA A 20 4.301 -12.086 3.927 1.00 0.00 N ATOM 332 CA ALA A 20 3.658 -12.464 5.179 1.00 0.00 C ATOM 333 C ALA A 20 2.259 -13.020 4.933 1.00 0.00 C ATOM 334 O ALA A 20 1.545 -12.557 4.045 1.00 0.00 O ATOM 335 CB ALA A 20 3.601 -11.285 6.128 1.00 0.00 C ATOM 0 H ALA A 20 3.718 -12.211 3.099 1.00 0.00 H new ATOM 0 HA ALA A 20 4.257 -13.250 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.117 -11.588 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.613 -10.941 6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.032 -10.476 5.670 1.00 0.00 H new ATOM 341 N VAL A 21 1.871 -14.013 5.727 1.00 0.00 N ATOM 342 CA VAL A 21 0.554 -14.625 5.596 1.00 0.00 C ATOM 343 C VAL A 21 -0.543 -13.663 6.051 1.00 0.00 C ATOM 344 O VAL A 21 -1.655 -13.690 5.526 1.00 0.00 O ATOM 345 CB VAL A 21 0.459 -15.934 6.411 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.666 -15.656 7.894 1.00 0.00 C ATOM 347 CG2 VAL A 21 -0.878 -16.620 6.171 1.00 0.00 C ATOM 0 H VAL A 21 2.449 -14.410 6.467 1.00 0.00 H new ATOM 0 HA VAL A 21 0.411 -14.858 4.541 1.00 0.00 H new ATOM 0 HB VAL A 21 1.249 -16.606 6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.596 -16.589 8.452 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.651 -15.215 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.100 -14.965 8.245 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.925 -17.540 6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.687 -15.956 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.981 -16.856 5.112 1.00 0.00 H new ATOM 357 N ASP A 22 -0.213 -12.831 7.025 1.00 0.00 N ATOM 358 CA ASP A 22 -1.164 -11.860 7.551 1.00 0.00 C ATOM 359 C ASP A 22 -1.299 -10.675 6.602 1.00 0.00 C ATOM 360 O ASP A 22 -0.604 -9.670 6.746 1.00 0.00 O ATOM 361 CB ASP A 22 -0.722 -11.379 8.933 1.00 0.00 C ATOM 362 CG ASP A 22 -1.884 -10.880 9.769 1.00 0.00 C ATOM 363 OD1 ASP A 22 -2.281 -9.708 9.596 1.00 0.00 O ATOM 364 OD2 ASP A 22 -2.399 -11.661 10.598 1.00 0.00 O ATOM 0 H ASP A 22 0.705 -12.807 7.469 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.136 -12.345 7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.225 -12.195 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.010 -10.580 8.820 1.00 0.00 H new ATOM 369 N ALA A 23 -2.194 -10.807 5.630 1.00 0.00 N ATOM 370 CA ALA A 23 -2.427 -9.755 4.643 1.00 0.00 C ATOM 371 C ALA A 23 -2.526 -8.382 5.300 1.00 0.00 C ATOM 372 O ALA A 23 -2.019 -7.389 4.771 1.00 0.00 O ATOM 373 CB ALA A 23 -3.688 -10.050 3.845 1.00 0.00 C ATOM 0 H ALA A 23 -2.774 -11.636 5.503 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.573 -9.739 3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.849 -9.258 3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.577 -11.004 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.542 -10.100 4.520 1.00 0.00 H new ATOM 379 N GLY A 24 -3.178 -8.330 6.457 1.00 0.00 N ATOM 380 CA GLY A 24 -3.328 -7.073 7.163 1.00 0.00 C ATOM 381 C GLY A 24 -1.993 -6.421 7.473 1.00 0.00 C ATOM 382 O GLY A 24 -1.905 -5.200 7.619 1.00 0.00 O ATOM 0 H GLY A 24 -3.604 -9.135 6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.931 -6.392 6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.870 -7.244 8.093 1.00 0.00 H new ATOM 386 N ILE A 25 -0.949 -7.236 7.567 1.00 0.00 N ATOM 387 CA ILE A 25 0.385 -6.730 7.857 1.00 0.00 C ATOM 388 C ILE A 25 0.947 -5.969 6.658 1.00 0.00 C ATOM 389 O ILE A 25 1.578 -4.923 6.816 1.00 0.00 O ATOM 390 CB ILE A 25 1.351 -7.873 8.250 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.988 -8.426 9.631 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.797 -7.391 8.241 1.00 0.00 C ATOM 393 CD1 ILE A 25 1.134 -7.412 10.744 1.00 0.00 C ATOM 0 H ILE A 25 -1.001 -8.248 7.447 1.00 0.00 H new ATOM 0 HA ILE A 25 0.297 -6.049 8.703 1.00 0.00 H new ATOM 0 HB ILE A 25 1.251 -8.670 7.513 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.041 -8.786 9.611 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.622 -9.286 9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.456 -8.213 8.521 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.057 -7.041 7.242 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.913 -6.574 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.860 -7.872 11.694 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.168 -7.070 10.791 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.479 -6.562 10.550 1.00 0.00 H new ATOM 405 N ALA A 26 0.715 -6.494 5.458 1.00 0.00 N ATOM 406 CA ALA A 26 1.210 -5.844 4.255 1.00 0.00 C ATOM 407 C ALA A 26 0.548 -4.493 4.052 1.00 0.00 C ATOM 408 O ALA A 26 1.226 -3.496 3.801 1.00 0.00 O ATOM 409 CB ALA A 26 1.013 -6.710 3.026 1.00 0.00 C ATOM 0 H ALA A 26 0.194 -7.356 5.296 1.00 0.00 H new ATOM 0 HA ALA A 26 2.281 -5.693 4.393 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.396 -6.189 2.148 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.551 -7.650 3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.049 -6.915 2.892 1.00 0.00 H new ATOM 415 N GLU A 27 -0.781 -4.448 4.165 1.00 0.00 N ATOM 416 CA GLU A 27 -1.495 -3.185 3.991 1.00 0.00 C ATOM 417 C GLU A 27 -0.921 -2.143 4.938 1.00 0.00 C ATOM 418 O GLU A 27 -0.832 -0.963 4.601 1.00 0.00 O ATOM 419 CB GLU A 27 -3.001 -3.330 4.228 1.00 0.00 C ATOM 420 CG GLU A 27 -3.343 -3.919 5.576 1.00 0.00 C ATOM 421 CD GLU A 27 -4.797 -4.337 5.677 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.225 -5.197 4.880 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.509 -3.802 6.555 1.00 0.00 O ATOM 0 H GLU A 27 -1.372 -5.253 4.372 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.360 -2.869 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.471 -2.351 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.425 -3.960 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.706 -4.784 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.124 -3.188 6.354 1.00 0.00 H new ATOM 430 N LYS A 28 -0.511 -2.597 6.122 1.00 0.00 N ATOM 431 CA LYS A 28 0.080 -1.710 7.113 1.00 0.00 C ATOM 432 C LYS A 28 1.355 -1.080 6.561 1.00 0.00 C ATOM 433 O LYS A 28 1.639 0.088 6.819 1.00 0.00 O ATOM 434 CB LYS A 28 0.387 -2.470 8.403 1.00 0.00 C ATOM 435 CG LYS A 28 -0.836 -3.121 9.027 1.00 0.00 C ATOM 436 CD LYS A 28 -1.323 -2.352 10.245 1.00 0.00 C ATOM 437 CE LYS A 28 -2.831 -2.164 10.215 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.320 -1.403 11.397 1.00 0.00 N ATOM 0 H LYS A 28 -0.579 -3.572 6.414 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.637 -0.921 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.132 -3.238 8.195 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.831 -1.783 9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.635 -3.177 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.596 -4.145 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.039 -2.886 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.834 -1.379 10.282 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.113 -1.638 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.318 -3.139 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.353 -1.297 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.074 -1.917 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.876 -0.463 11.413 1.00 0.00 H new ATOM 452 N TYR A 29 2.110 -1.859 5.785 1.00 0.00 N ATOM 453 CA TYR A 29 3.348 -1.367 5.181 1.00 0.00 C ATOM 454 C TYR A 29 3.066 -0.633 3.905 1.00 0.00 C ATOM 455 O TYR A 29 3.713 0.357 3.567 1.00 0.00 O ATOM 456 CB TYR A 29 4.294 -2.509 4.862 1.00 0.00 C ATOM 457 CG TYR A 29 5.362 -2.646 5.919 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.981 -1.503 6.404 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.744 -3.873 6.441 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.938 -1.565 7.367 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.715 -3.951 7.415 1.00 0.00 C ATOM 462 CZ TYR A 29 7.312 -2.791 7.879 1.00 0.00 C ATOM 463 OH TYR A 29 8.284 -2.862 8.855 1.00 0.00 O ATOM 0 H TYR A 29 1.887 -2.829 5.561 1.00 0.00 H new ATOM 0 HA TYR A 29 3.808 -0.696 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.732 -3.440 4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.759 -2.338 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.695 -0.540 6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.275 -4.777 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.403 -0.660 7.730 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.009 -4.911 7.814 1.00 0.00 H new ATOM 0 HH TYR A 29 8.428 -3.798 9.106 1.00 0.00 H new ATOM 473 N PHE A 30 2.083 -1.135 3.210 1.00 0.00 N ATOM 474 CA PHE A 30 1.663 -0.562 1.969 1.00 0.00 C ATOM 475 C PHE A 30 1.144 0.828 2.260 1.00 0.00 C ATOM 476 O PHE A 30 1.418 1.780 1.533 1.00 0.00 O ATOM 477 CB PHE A 30 0.590 -1.458 1.353 1.00 0.00 C ATOM 478 CG PHE A 30 1.096 -2.811 0.903 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.438 -3.048 0.649 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.206 -3.830 0.685 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.867 -4.273 0.189 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.623 -5.059 0.214 1.00 0.00 C ATOM 483 CZ PHE A 30 1.960 -5.276 -0.038 1.00 0.00 C ATOM 0 H PHE A 30 1.550 -1.957 3.493 1.00 0.00 H new ATOM 0 HA PHE A 30 2.482 -0.488 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.207 -1.605 2.082 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.150 -0.944 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.158 -2.260 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.843 -3.668 0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.918 -4.444 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.096 -5.847 0.044 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.292 -6.233 -0.413 1.00 0.00 H new ATOM 493 N LYS A 31 0.437 0.935 3.382 1.00 0.00 N ATOM 494 CA LYS A 31 -0.075 2.207 3.838 1.00 0.00 C ATOM 495 C LYS A 31 1.044 2.954 4.557 1.00 0.00 C ATOM 496 O LYS A 31 1.011 4.179 4.669 1.00 0.00 O ATOM 497 CB LYS A 31 -1.286 2.018 4.761 1.00 0.00 C ATOM 498 CG LYS A 31 -0.935 1.512 6.157 1.00 0.00 C ATOM 499 CD LYS A 31 -2.183 1.248 6.985 1.00 0.00 C ATOM 500 CE LYS A 31 -2.938 0.026 6.487 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.410 0.176 6.650 1.00 0.00 N ATOM 0 H LYS A 31 0.209 0.147 3.989 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.413 2.789 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.811 2.969 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.978 1.316 4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.350 0.596 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.309 2.246 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.904 1.103 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.836 2.120 6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.705 -0.141 5.435 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.601 -0.856 7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.887 -0.679 6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.636 0.310 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.737 1.002 6.109 1.00 0.00 H new ATOM 515 N LEU A 32 2.055 2.207 5.025 1.00 0.00 N ATOM 516 CA LEU A 32 3.191 2.831 5.707 1.00 0.00 C ATOM 517 C LEU A 32 3.970 3.694 4.720 1.00 0.00 C ATOM 518 O LEU A 32 4.301 4.846 5.011 1.00 0.00 O ATOM 519 CB LEU A 32 4.109 1.787 6.361 1.00 0.00 C ATOM 520 CG LEU A 32 4.771 2.247 7.662 1.00 0.00 C ATOM 521 CD1 LEU A 32 3.722 2.703 8.664 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.614 1.130 8.245 1.00 0.00 C ATOM 0 H LEU A 32 2.107 1.191 4.945 1.00 0.00 H new ATOM 0 HA LEU A 32 2.803 3.460 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.528 0.887 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.888 1.511 5.650 1.00 0.00 H new ATOM 0 HG LEU A 32 5.421 3.093 7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.212 3.026 9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.154 3.533 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.046 1.877 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.079 1.470 9.170 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.981 0.267 8.453 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.388 0.848 7.532 1.00 0.00 H new ATOM 534 N ILE A 33 4.236 3.145 3.536 1.00 0.00 N ATOM 535 CA ILE A 33 4.949 3.881 2.508 1.00 0.00 C ATOM 536 C ILE A 33 3.984 4.709 1.670 1.00 0.00 C ATOM 537 O ILE A 33 4.330 5.790 1.203 1.00 0.00 O ATOM 538 CB ILE A 33 5.754 2.950 1.580 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.557 3.769 0.561 1.00 0.00 C ATOM 540 CG2 ILE A 33 4.825 1.974 0.869 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.186 5.021 1.141 1.00 0.00 C ATOM 0 H ILE A 33 3.968 2.197 3.271 1.00 0.00 H new ATOM 0 HA ILE A 33 5.648 4.539 3.023 1.00 0.00 H new ATOM 0 HB ILE A 33 6.454 2.378 2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.342 3.140 0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.901 4.051 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.410 1.324 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.299 1.369 1.607 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.101 2.529 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.737 5.546 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.405 5.671 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.869 4.746 1.945 1.00 0.00 H new ATOM 553 N ALA A 34 2.766 4.208 1.486 1.00 0.00 N ATOM 554 CA ALA A 34 1.770 4.932 0.711 1.00 0.00 C ATOM 555 C ALA A 34 1.481 6.280 1.360 1.00 0.00 C ATOM 556 O ALA A 34 1.197 7.264 0.679 1.00 0.00 O ATOM 557 CB ALA A 34 0.495 4.114 0.582 1.00 0.00 C ATOM 0 H ALA A 34 2.449 3.313 1.859 1.00 0.00 H new ATOM 0 HA ALA A 34 2.164 5.105 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.238 4.672 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.716 3.172 0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.091 3.911 1.574 1.00 0.00 H new ATOM 563 N ASN A 35 1.579 6.319 2.687 1.00 0.00 N ATOM 564 CA ASN A 35 1.351 7.549 3.432 1.00 0.00 C ATOM 565 C ASN A 35 2.625 8.385 3.461 1.00 0.00 C ATOM 566 O ASN A 35 2.574 9.615 3.469 1.00 0.00 O ATOM 567 CB ASN A 35 0.892 7.237 4.858 1.00 0.00 C ATOM 568 CG ASN A 35 -0.108 8.251 5.378 1.00 0.00 C ATOM 569 OD1 ASN A 35 0.225 9.100 6.206 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.341 8.167 4.894 1.00 0.00 N ATOM 0 H ASN A 35 1.815 5.513 3.265 1.00 0.00 H new ATOM 0 HA ASN A 35 0.565 8.117 2.934 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.445 6.243 4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.759 7.213 5.519 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.057 8.822 5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.572 7.447 4.209 1.00 0.00 H new ATOM 577 N ALA A 36 3.770 7.704 3.466 1.00 0.00 N ATOM 578 CA ALA A 36 5.060 8.382 3.481 1.00 0.00 C ATOM 579 C ALA A 36 5.400 8.926 2.096 1.00 0.00 C ATOM 580 O ALA A 36 5.936 10.027 1.964 1.00 0.00 O ATOM 581 CB ALA A 36 6.148 7.435 3.962 1.00 0.00 C ATOM 0 H ALA A 36 3.828 6.686 3.460 1.00 0.00 H new ATOM 0 HA ALA A 36 4.999 9.223 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.106 7.955 3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.914 7.094 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.205 6.577 3.293 1.00 0.00 H new ATOM 587 N LYS A 37 5.080 8.148 1.066 1.00 0.00 N ATOM 588 CA LYS A 37 5.345 8.555 -0.314 1.00 0.00 C ATOM 589 C LYS A 37 4.125 9.239 -0.928 1.00 0.00 C ATOM 590 O LYS A 37 4.210 10.369 -1.407 1.00 0.00 O ATOM 591 CB LYS A 37 5.760 7.363 -1.189 1.00 0.00 C ATOM 592 CG LYS A 37 7.226 6.992 -1.048 1.00 0.00 C ATOM 593 CD LYS A 37 8.102 7.792 -2.001 1.00 0.00 C ATOM 594 CE LYS A 37 8.695 6.911 -3.092 1.00 0.00 C ATOM 595 NZ LYS A 37 10.174 6.792 -2.967 1.00 0.00 N ATOM 0 H LYS A 37 4.638 7.234 1.158 1.00 0.00 H new ATOM 0 HA LYS A 37 6.173 9.263 -0.281 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.148 6.500 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.551 7.598 -2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.549 7.168 -0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.353 5.927 -1.244 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.513 8.588 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.906 8.270 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.246 5.919 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.445 7.325 -4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.539 6.184 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.606 7.735 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.412 6.373 -2.045 1.00 0.00 H new ATOM 609 N THR A 38 2.991 8.541 -0.914 1.00 0.00 N ATOM 610 CA THR A 38 1.753 9.076 -1.474 1.00 0.00 C ATOM 611 C THR A 38 1.020 9.945 -0.455 1.00 0.00 C ATOM 612 O THR A 38 1.591 10.337 0.563 1.00 0.00 O ATOM 613 CB THR A 38 0.845 7.936 -1.940 1.00 0.00 C ATOM 614 OG1 THR A 38 1.590 6.746 -2.132 1.00 0.00 O ATOM 615 CG2 THR A 38 0.120 8.236 -3.233 1.00 0.00 C ATOM 0 H THR A 38 2.905 7.604 -0.521 1.00 0.00 H new ATOM 0 HA THR A 38 2.012 9.698 -2.331 1.00 0.00 H new ATOM 0 HB THR A 38 0.106 7.816 -1.148 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.641 6.543 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.506 7.386 -3.505 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.505 9.120 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.847 8.419 -4.024 1.00 0.00 H new ATOM 623 N VAL A 39 -0.247 10.246 -0.734 1.00 0.00 N ATOM 624 CA VAL A 39 -1.049 11.072 0.161 1.00 0.00 C ATOM 625 C VAL A 39 -2.386 10.412 0.489 1.00 0.00 C ATOM 626 O VAL A 39 -2.747 10.277 1.659 1.00 0.00 O ATOM 627 CB VAL A 39 -1.312 12.468 -0.439 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.068 13.336 -0.337 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.775 12.356 -1.884 1.00 0.00 C ATOM 0 H VAL A 39 -0.738 9.930 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.471 11.181 1.079 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.108 12.942 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.273 14.317 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.212 13.449 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.750 12.865 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.955 13.353 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.006 11.859 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.697 11.776 -1.927 1.00 0.00 H new ATOM 639 N GLU A 40 -3.123 10.003 -0.543 1.00 0.00 N ATOM 640 CA GLU A 40 -4.419 9.361 -0.344 1.00 0.00 C ATOM 641 C GLU A 40 -5.111 9.095 -1.677 1.00 0.00 C ATOM 642 O GLU A 40 -5.078 9.922 -2.588 1.00 0.00 O ATOM 643 CB GLU A 40 -5.320 10.228 0.539 1.00 0.00 C ATOM 644 CG GLU A 40 -5.218 11.717 0.244 1.00 0.00 C ATOM 645 CD GLU A 40 -6.437 12.489 0.708 1.00 0.00 C ATOM 646 OE1 GLU A 40 -6.660 12.565 1.934 1.00 0.00 O ATOM 647 OE2 GLU A 40 -7.168 13.019 -0.155 1.00 0.00 O ATOM 0 H GLU A 40 -2.846 10.104 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.242 8.407 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.355 9.911 0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.063 10.056 1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.330 12.120 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.087 11.863 -0.828 1.00 0.00 H new ATOM 654 N GLY A 41 -5.742 7.932 -1.774 1.00 0.00 N ATOM 655 CA GLY A 41 -6.447 7.556 -2.988 1.00 0.00 C ATOM 656 C GLY A 41 -7.334 6.343 -2.779 1.00 0.00 C ATOM 657 O GLY A 41 -7.549 5.916 -1.645 1.00 0.00 O ATOM 0 H GLY A 41 -5.779 7.237 -1.029 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.054 8.395 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.724 7.345 -3.776 1.00 0.00 H new ATOM 661 N VAL A 42 -7.846 5.777 -3.870 1.00 0.00 N ATOM 662 CA VAL A 42 -8.705 4.601 -3.776 1.00 0.00 C ATOM 663 C VAL A 42 -7.870 3.347 -3.560 1.00 0.00 C ATOM 664 O VAL A 42 -7.171 2.886 -4.463 1.00 0.00 O ATOM 665 CB VAL A 42 -9.578 4.422 -5.032 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.570 5.567 -5.156 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.714 4.312 -6.278 1.00 0.00 C ATOM 0 H VAL A 42 -7.683 6.110 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.365 4.756 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.140 3.493 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.179 5.425 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.214 5.587 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.029 6.510 -5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.352 4.186 -7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.119 5.219 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.050 3.452 -6.186 1.00 0.00 H new ATOM 677 N TRP A 43 -7.935 2.816 -2.347 1.00 0.00 N ATOM 678 CA TRP A 43 -7.184 1.640 -1.973 1.00 0.00 C ATOM 679 C TRP A 43 -7.903 0.360 -2.392 1.00 0.00 C ATOM 680 O TRP A 43 -9.102 0.205 -2.165 1.00 0.00 O ATOM 681 CB TRP A 43 -6.987 1.674 -0.465 1.00 0.00 C ATOM 682 CG TRP A 43 -5.680 2.281 -0.041 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.412 3.618 0.088 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.464 1.597 0.308 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.115 3.805 0.488 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.514 2.584 0.635 1.00 0.00 C ATOM 687 CE3 TRP A 43 -4.074 0.251 0.382 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.218 2.270 1.023 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.780 -0.042 0.769 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.874 0.960 1.084 1.00 0.00 C ATOM 0 H TRP A 43 -8.514 3.195 -1.597 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.222 1.642 -2.485 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.803 2.238 -0.013 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -7.049 0.658 -0.076 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.121 4.411 -0.099 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.669 4.708 0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.770 -0.539 0.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.507 3.045 1.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.467 -1.074 0.827 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.872 0.691 1.385 1.00 0.00 H new ATOM 701 N THR A 44 -7.156 -0.556 -3.002 1.00 0.00 N ATOM 702 CA THR A 44 -7.713 -1.829 -3.452 1.00 0.00 C ATOM 703 C THR A 44 -6.672 -2.940 -3.346 1.00 0.00 C ATOM 704 O THR A 44 -5.474 -2.691 -3.468 1.00 0.00 O ATOM 705 CB THR A 44 -8.207 -1.712 -4.895 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.266 -1.015 -5.692 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.534 -0.994 -5.016 1.00 0.00 C ATOM 0 H THR A 44 -6.161 -0.440 -3.197 1.00 0.00 H new ATOM 0 HA THR A 44 -8.556 -2.080 -2.808 1.00 0.00 H new ATOM 0 HB THR A 44 -8.334 -2.738 -5.242 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.461 -0.832 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.827 -0.945 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.293 -1.535 -4.452 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.438 0.017 -4.619 1.00 0.00 H new ATOM 715 N TYR A 45 -7.134 -4.166 -3.120 1.00 0.00 N ATOM 716 CA TYR A 45 -6.232 -5.310 -3.002 1.00 0.00 C ATOM 717 C TYR A 45 -6.792 -6.530 -3.726 1.00 0.00 C ATOM 718 O TYR A 45 -7.998 -6.777 -3.709 1.00 0.00 O ATOM 719 CB TYR A 45 -5.962 -5.639 -1.524 1.00 0.00 C ATOM 720 CG TYR A 45 -5.400 -7.025 -1.292 1.00 0.00 C ATOM 721 CD1 TYR A 45 -4.080 -7.322 -1.603 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.190 -8.035 -0.757 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.562 -8.585 -1.389 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.680 -9.301 -0.541 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.366 -9.571 -0.858 1.00 0.00 C ATOM 726 OH TYR A 45 -3.853 -10.829 -0.644 1.00 0.00 O ATOM 0 H TYR A 45 -8.123 -4.394 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.288 -5.040 -3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.265 -4.904 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.892 -5.537 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.447 -6.552 -2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.220 -7.827 -0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.533 -8.799 -1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.308 -10.075 -0.126 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.097 -10.773 -0.023 1.00 0.00 H new ATOM 736 N LYS A 46 -5.904 -7.292 -4.354 1.00 0.00 N ATOM 737 CA LYS A 46 -6.299 -8.494 -5.079 1.00 0.00 C ATOM 738 C LYS A 46 -5.856 -9.744 -4.327 1.00 0.00 C ATOM 739 O LYS A 46 -4.732 -9.815 -3.830 1.00 0.00 O ATOM 740 CB LYS A 46 -5.699 -8.490 -6.486 1.00 0.00 C ATOM 741 CG LYS A 46 -5.871 -7.167 -7.217 1.00 0.00 C ATOM 742 CD LYS A 46 -6.806 -7.303 -8.409 1.00 0.00 C ATOM 743 CE LYS A 46 -7.682 -6.072 -8.578 1.00 0.00 C ATOM 744 NZ LYS A 46 -7.438 -5.392 -9.881 1.00 0.00 N ATOM 0 H LYS A 46 -4.903 -7.098 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.386 -8.502 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.636 -8.723 -6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.163 -9.283 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.264 -6.419 -6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.899 -6.809 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.221 -7.461 -9.315 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.436 -8.183 -8.279 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.731 -6.361 -8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.490 -5.375 -7.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.054 -4.558 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.443 -5.094 -9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.646 -6.049 -10.660 1.00 0.00 H new ATOM 758 N ASP A 47 -6.746 -10.728 -4.244 1.00 0.00 N ATOM 759 CA ASP A 47 -6.443 -11.975 -3.548 1.00 0.00 C ATOM 760 C ASP A 47 -5.887 -13.016 -4.514 1.00 0.00 C ATOM 761 O ASP A 47 -5.114 -13.882 -4.123 1.00 0.00 O ATOM 762 CB ASP A 47 -7.697 -12.520 -2.862 1.00 0.00 C ATOM 763 CG ASP A 47 -7.422 -13.785 -2.072 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.562 -13.744 -1.167 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.068 -14.813 -2.357 1.00 0.00 O ATOM 0 H ASP A 47 -7.681 -10.687 -4.649 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.686 -11.764 -2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.102 -11.759 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.460 -12.723 -3.614 1.00 0.00 H new ATOM 770 N GLU A 48 -6.292 -12.918 -5.776 1.00 0.00 N ATOM 771 CA GLU A 48 -5.842 -13.846 -6.802 1.00 0.00 C ATOM 772 C GLU A 48 -4.317 -13.950 -6.832 1.00 0.00 C ATOM 773 O GLU A 48 -3.762 -15.002 -7.145 1.00 0.00 O ATOM 774 CB GLU A 48 -6.365 -13.413 -8.175 1.00 0.00 C ATOM 775 CG GLU A 48 -7.629 -14.145 -8.600 1.00 0.00 C ATOM 776 CD GLU A 48 -7.389 -15.119 -9.734 1.00 0.00 C ATOM 777 OE1 GLU A 48 -7.261 -14.668 -10.891 1.00 0.00 O ATOM 778 OE2 GLU A 48 -7.328 -16.342 -9.466 1.00 0.00 O ATOM 0 H GLU A 48 -6.934 -12.201 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.242 -14.830 -6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.563 -12.341 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.588 -13.582 -8.921 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.037 -14.684 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.380 -13.417 -8.905 1.00 0.00 H new ATOM 785 N ILE A 49 -3.646 -12.845 -6.510 1.00 0.00 N ATOM 786 CA ILE A 49 -2.188 -12.816 -6.505 1.00 0.00 C ATOM 787 C ILE A 49 -1.638 -11.974 -5.356 1.00 0.00 C ATOM 788 O ILE A 49 -0.463 -11.607 -5.355 1.00 0.00 O ATOM 789 CB ILE A 49 -1.633 -12.273 -7.837 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.112 -10.841 -8.072 1.00 0.00 C ATOM 791 CG2 ILE A 49 -2.042 -13.177 -8.993 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.593 -10.733 -8.371 1.00 0.00 C ATOM 0 H ILE A 49 -4.088 -11.963 -6.251 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.862 -13.847 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.544 -12.263 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.884 -10.242 -7.190 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.551 -10.412 -8.902 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.642 -12.779 -9.925 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.648 -14.180 -8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.129 -13.220 -9.054 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.858 -9.687 -8.526 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.825 -11.303 -9.271 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.164 -11.131 -7.532 1.00 0.00 H new ATOM 804 N LYS A 50 -2.485 -11.678 -4.377 1.00 0.00 N ATOM 805 CA LYS A 50 -2.074 -10.881 -3.223 1.00 0.00 C ATOM 806 C LYS A 50 -1.320 -9.625 -3.658 1.00 0.00 C ATOM 807 O LYS A 50 -0.091 -9.563 -3.573 1.00 0.00 O ATOM 808 CB LYS A 50 -1.197 -11.716 -2.288 1.00 0.00 C ATOM 809 CG LYS A 50 -1.756 -13.102 -2.007 1.00 0.00 C ATOM 810 CD LYS A 50 -1.042 -14.159 -2.821 1.00 0.00 C ATOM 811 CE LYS A 50 -1.917 -15.385 -3.032 1.00 0.00 C ATOM 812 NZ LYS A 50 -1.507 -16.160 -4.234 1.00 0.00 N ATOM 0 H LYS A 50 -3.460 -11.977 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.974 -10.572 -2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.204 -11.816 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.076 -11.184 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.656 -13.328 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.821 -13.120 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.756 -13.744 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.122 -14.450 -2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.863 -16.025 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.957 -15.075 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.128 -16.987 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.583 -15.557 -5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.523 -16.478 -4.123 1.00 0.00 H new ATOM 826 N THR A 51 -2.061 -8.626 -4.124 1.00 0.00 N ATOM 827 CA THR A 51 -1.455 -7.379 -4.574 1.00 0.00 C ATOM 828 C THR A 51 -2.321 -6.178 -4.212 1.00 0.00 C ATOM 829 O THR A 51 -3.509 -6.135 -4.528 1.00 0.00 O ATOM 830 CB THR A 51 -1.221 -7.418 -6.085 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.351 -8.482 -6.430 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.624 -6.141 -6.637 1.00 0.00 C ATOM 0 H THR A 51 -3.078 -8.655 -4.200 1.00 0.00 H new ATOM 0 HA THR A 51 -0.497 -7.272 -4.065 1.00 0.00 H new ATOM 0 HB THR A 51 -2.209 -7.555 -6.524 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.215 -8.492 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.485 -6.240 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.296 -5.307 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.340 -5.955 -6.163 1.00 0.00 H new ATOM 840 N PHE A 52 -1.707 -5.199 -3.558 1.00 0.00 N ATOM 841 CA PHE A 52 -2.406 -3.984 -3.161 1.00 0.00 C ATOM 842 C PHE A 52 -2.140 -2.875 -4.171 1.00 0.00 C ATOM 843 O PHE A 52 -1.034 -2.743 -4.691 1.00 0.00 O ATOM 844 CB PHE A 52 -1.961 -3.553 -1.763 1.00 0.00 C ATOM 845 CG PHE A 52 -2.945 -3.888 -0.682 1.00 0.00 C ATOM 846 CD1 PHE A 52 -2.883 -5.108 -0.023 1.00 0.00 C ATOM 847 CD2 PHE A 52 -3.930 -2.985 -0.321 1.00 0.00 C ATOM 848 CE1 PHE A 52 -3.788 -5.416 0.975 1.00 0.00 C ATOM 849 CE2 PHE A 52 -4.836 -3.287 0.677 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.766 -4.505 1.325 1.00 0.00 C ATOM 0 H PHE A 52 -0.723 -5.224 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.477 -4.183 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.008 -4.029 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.788 -2.477 -1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.120 -5.823 -0.293 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.991 -2.032 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.731 -6.368 1.481 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.598 -2.572 0.950 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.475 -4.745 2.104 1.00 0.00 H new ATOM 860 N THR A 53 -3.165 -2.092 -4.455 1.00 0.00 N ATOM 861 CA THR A 53 -3.046 -1.001 -5.420 1.00 0.00 C ATOM 862 C THR A 53 -3.868 0.219 -5.011 1.00 0.00 C ATOM 863 O THR A 53 -4.999 0.090 -4.542 1.00 0.00 O ATOM 864 CB THR A 53 -3.484 -1.475 -6.807 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.991 -2.777 -7.070 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.011 -0.570 -7.924 1.00 0.00 C ATOM 0 H THR A 53 -4.090 -2.187 -4.035 1.00 0.00 H new ATOM 0 HA THR A 53 -1.998 -0.703 -5.445 1.00 0.00 H new ATOM 0 HB THR A 53 -4.574 -1.462 -6.787 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.283 -3.063 -7.961 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.355 -0.963 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.415 0.432 -7.776 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.922 -0.526 -7.920 1.00 0.00 H new ATOM 874 N VAL A 54 -3.298 1.404 -5.218 1.00 0.00 N ATOM 875 CA VAL A 54 -3.988 2.654 -4.898 1.00 0.00 C ATOM 876 C VAL A 54 -4.074 3.554 -6.129 1.00 0.00 C ATOM 877 O VAL A 54 -3.153 3.595 -6.944 1.00 0.00 O ATOM 878 CB VAL A 54 -3.314 3.415 -3.722 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.634 4.705 -4.193 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.349 3.737 -2.648 1.00 0.00 C ATOM 0 H VAL A 54 -2.362 1.526 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.996 2.387 -4.580 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.543 2.765 -3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.175 5.207 -3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.866 4.464 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.376 5.363 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.868 4.270 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.135 4.360 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.784 2.811 -2.273 1.00 0.00 H new ATOM 890 N THR A 55 -5.182 4.276 -6.256 1.00 0.00 N ATOM 891 CA THR A 55 -5.378 5.175 -7.387 1.00 0.00 C ATOM 892 C THR A 55 -5.836 6.554 -6.919 1.00 0.00 C ATOM 893 O THR A 55 -6.784 6.674 -6.142 1.00 0.00 O ATOM 894 CB THR A 55 -6.395 4.590 -8.369 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.521 3.190 -8.187 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.032 4.832 -9.818 1.00 0.00 C ATOM 0 H THR A 55 -5.956 4.256 -5.592 1.00 0.00 H new ATOM 0 HA THR A 55 -4.420 5.285 -7.895 1.00 0.00 H new ATOM 0 HB THR A 55 -7.333 5.102 -8.154 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.177 2.835 -8.823 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.793 4.392 -10.462 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.974 5.904 -10.004 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.067 4.374 -10.033 1.00 0.00 H new ATOM 904 N GLU A 56 -5.156 7.591 -7.397 1.00 0.00 N ATOM 905 CA GLU A 56 -5.493 8.962 -7.029 1.00 0.00 C ATOM 906 C GLU A 56 -6.001 9.740 -8.238 1.00 0.00 C ATOM 907 O GLU A 56 -7.185 10.139 -8.229 1.00 0.00 O ATOM 908 CB GLU A 56 -4.276 9.671 -6.428 1.00 0.00 C ATOM 909 CG GLU A 56 -4.634 10.894 -5.601 1.00 0.00 C ATOM 910 CD GLU A 56 -3.413 11.686 -5.175 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.727 11.254 -4.225 1.00 0.00 O ATOM 912 OE2 GLU A 56 -3.144 12.739 -5.790 1.00 0.00 O ATOM 913 OXT GLU A 56 -5.212 9.945 -9.184 1.00 0.00 O ATOM 0 H GLU A 56 -4.368 7.508 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.286 8.924 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.728 8.967 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.606 9.971 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.297 11.538 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.187 10.580 -4.715 1.00 0.00 H new TER 920 GLU A 56