USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 680 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 54 SER OG : rot -52:sc= -3.45! USER MOD Set 1.2: A 87 GLN : amide:sc= 0.274 K(o=-3.2,f=-5.5) USER MOD Set 2.1: A 25 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0471 (180deg=-0.0863) USER MOD Single : A 7 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-0.76) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.43) USER MOD Single : A 24 SER OG : rot -41:sc= 0.69 USER MOD Single : A 28 HIS : no HD1:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -120:sc= 0.888 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -134:sc= 0 (180deg=-1.04) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 135:sc= 0.541 (180deg=0.00599) USER MOD Single : A 42 LYS NZ :NH3+ 168:sc= -0.0117 (180deg=-0.167) USER MOD Single : A 43 SER OG : rot -125:sc= 0.276 USER MOD Single : A 48 THR OG1 : rot -31:sc= 0.202 USER MOD Single : A 53 ASN : amide:sc= -0.0466 K(o=-0.047,f=-1.3!) USER MOD Single : A 65 ASN : amide:sc= 0.302 X(o=0.3,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 135:sc= -0.105 (180deg=-2.35) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.533 4.723 -20.119 1.00 0.00 N ATOM 2 CA MET A 1 24.494 4.808 -19.077 1.00 0.00 C ATOM 3 C MET A 1 23.225 4.123 -19.544 1.00 0.00 C ATOM 4 O MET A 1 22.985 3.997 -20.746 1.00 0.00 O ATOM 5 CB MET A 1 24.198 6.271 -18.719 1.00 0.00 C ATOM 6 CG MET A 1 25.367 7.001 -18.073 1.00 0.00 C ATOM 7 SD MET A 1 24.986 8.719 -17.680 1.00 0.00 S ATOM 8 CE MET A 1 26.545 9.259 -16.978 1.00 0.00 C ATOM 0 H1 MET A 1 26.333 4.159 -19.767 1.00 0.00 H new ATOM 0 H2 MET A 1 25.137 4.270 -20.968 1.00 0.00 H new ATOM 0 H3 MET A 1 25.863 5.680 -20.359 1.00 0.00 H new ATOM 0 HA MET A 1 24.865 4.302 -18.185 1.00 0.00 H new ATOM 0 HB2 MET A 1 23.906 6.804 -19.624 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.345 6.303 -18.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.656 6.480 -17.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.225 6.968 -18.744 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.469 10.306 -16.685 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.779 8.653 -16.103 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.336 9.147 -17.719 1.00 0.00 H new ATOM 18 N ALA A 2 22.415 3.692 -18.604 1.00 0.00 N ATOM 19 CA ALA A 2 21.185 3.003 -18.919 1.00 0.00 C ATOM 20 C ALA A 2 20.048 3.563 -18.104 1.00 0.00 C ATOM 21 O ALA A 2 20.265 4.122 -17.032 1.00 0.00 O ATOM 22 CB ALA A 2 21.333 1.514 -18.665 1.00 0.00 C ATOM 0 H ALA A 2 22.589 3.808 -17.606 1.00 0.00 H new ATOM 0 HA ALA A 2 20.963 3.154 -19.975 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.398 1.009 -18.907 1.00 0.00 H new ATOM 0 HB2 ALA A 2 22.133 1.116 -19.290 1.00 0.00 H new ATOM 0 HB3 ALA A 2 21.575 1.346 -17.616 1.00 0.00 H new ATOM 28 N ASP A 3 18.842 3.424 -18.615 1.00 0.00 N ATOM 29 CA ASP A 3 17.656 3.923 -17.935 1.00 0.00 C ATOM 30 C ASP A 3 17.366 3.085 -16.710 1.00 0.00 C ATOM 31 O ASP A 3 17.856 1.958 -16.589 1.00 0.00 O ATOM 32 CB ASP A 3 16.436 3.885 -18.862 1.00 0.00 C ATOM 33 CG ASP A 3 16.607 4.710 -20.112 1.00 0.00 C ATOM 34 OD1 ASP A 3 16.685 5.954 -20.014 1.00 0.00 O ATOM 35 OD2 ASP A 3 16.675 4.117 -21.205 1.00 0.00 O ATOM 0 H ASP A 3 18.653 2.966 -19.507 1.00 0.00 H new ATOM 0 HA ASP A 3 17.849 4.955 -17.642 1.00 0.00 H new ATOM 0 HB2 ASP A 3 16.235 2.851 -19.143 1.00 0.00 H new ATOM 0 HB3 ASP A 3 15.563 4.243 -18.316 1.00 0.00 H new ATOM 40 N ASP A 4 16.594 3.637 -15.795 1.00 0.00 N ATOM 41 CA ASP A 4 16.166 2.904 -14.608 1.00 0.00 C ATOM 42 C ASP A 4 15.314 1.726 -15.032 1.00 0.00 C ATOM 43 O ASP A 4 15.315 0.676 -14.389 1.00 0.00 O ATOM 44 CB ASP A 4 15.394 3.806 -13.647 1.00 0.00 C ATOM 45 CG ASP A 4 16.270 4.862 -13.014 1.00 0.00 C ATOM 46 OD1 ASP A 4 17.176 4.503 -12.230 1.00 0.00 O ATOM 47 OD2 ASP A 4 16.063 6.059 -13.298 1.00 0.00 O ATOM 0 H ASP A 4 16.246 4.594 -15.846 1.00 0.00 H new ATOM 0 HA ASP A 4 17.049 2.545 -14.079 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.578 4.290 -14.184 1.00 0.00 H new ATOM 0 HB3 ASP A 4 14.943 3.196 -12.864 1.00 0.00 H new ATOM 52 N ALA A 5 14.554 1.944 -16.110 1.00 0.00 N ATOM 53 CA ALA A 5 13.717 0.923 -16.744 1.00 0.00 C ATOM 54 C ALA A 5 12.435 0.669 -15.991 1.00 0.00 C ATOM 55 O ALA A 5 11.352 1.056 -16.441 1.00 0.00 O ATOM 56 CB ALA A 5 14.489 -0.376 -16.975 1.00 0.00 C ATOM 0 H ALA A 5 14.503 2.851 -16.574 1.00 0.00 H new ATOM 0 HA ALA A 5 13.435 1.323 -17.718 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.835 -1.109 -17.447 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.343 -0.181 -17.624 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.840 -0.765 -16.019 1.00 0.00 H new ATOM 62 N ALA A 6 12.546 0.036 -14.865 1.00 0.00 N ATOM 63 CA ALA A 6 11.381 -0.304 -14.083 1.00 0.00 C ATOM 64 C ALA A 6 11.432 0.293 -12.688 1.00 0.00 C ATOM 65 O ALA A 6 12.320 -0.024 -11.892 1.00 0.00 O ATOM 66 CB ALA A 6 11.219 -1.812 -14.007 1.00 0.00 C ATOM 0 H ALA A 6 13.433 -0.261 -14.458 1.00 0.00 H new ATOM 0 HA ALA A 6 10.515 0.126 -14.587 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.337 -2.054 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.103 -2.217 -15.012 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.101 -2.250 -13.540 1.00 0.00 H new ATOM 72 N GLN A 7 10.486 1.164 -12.406 1.00 0.00 N ATOM 73 CA GLN A 7 10.333 1.757 -11.089 1.00 0.00 C ATOM 74 C GLN A 7 8.887 1.795 -10.708 1.00 0.00 C ATOM 75 O GLN A 7 8.003 1.738 -11.570 1.00 0.00 O ATOM 76 CB GLN A 7 10.889 3.180 -11.014 1.00 0.00 C ATOM 77 CG GLN A 7 12.401 3.276 -11.095 1.00 0.00 C ATOM 78 CD GLN A 7 12.895 4.709 -11.147 1.00 0.00 C ATOM 79 OE1 GLN A 7 12.223 5.596 -11.678 1.00 0.00 O ATOM 80 NE2 GLN A 7 14.064 4.947 -10.588 1.00 0.00 N ATOM 0 H GLN A 7 9.796 1.484 -13.086 1.00 0.00 H new ATOM 0 HA GLN A 7 10.901 1.132 -10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 7 10.458 3.767 -11.825 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.559 3.635 -10.080 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.839 2.776 -10.231 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.748 2.744 -11.981 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.589 4.185 -10.159 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.444 5.893 -10.584 1.00 0.00 H new ATOM 89 N ALA A 8 8.639 1.888 -9.435 1.00 0.00 N ATOM 90 CA ALA A 8 7.322 2.034 -8.944 1.00 0.00 C ATOM 91 C ALA A 8 7.178 3.448 -8.478 1.00 0.00 C ATOM 92 O ALA A 8 7.928 3.898 -7.606 1.00 0.00 O ATOM 93 CB ALA A 8 7.056 1.057 -7.807 1.00 0.00 C ATOM 0 H ALA A 8 9.358 1.863 -8.712 1.00 0.00 H new ATOM 0 HA ALA A 8 6.595 1.814 -9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.036 1.188 -7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.185 0.036 -8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.756 1.246 -6.993 1.00 0.00 H new ATOM 99 N GLY A 9 6.237 4.160 -9.053 1.00 0.00 N ATOM 100 CA GLY A 9 6.036 5.539 -8.687 1.00 0.00 C ATOM 101 C GLY A 9 5.541 5.663 -7.281 1.00 0.00 C ATOM 102 O GLY A 9 5.544 6.747 -6.703 1.00 0.00 O ATOM 0 H GLY A 9 5.603 3.809 -9.771 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.973 6.086 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.319 5.997 -9.369 1.00 0.00 H new ATOM 106 N ASP A 10 5.133 4.529 -6.738 1.00 0.00 N ATOM 107 CA ASP A 10 4.600 4.436 -5.385 1.00 0.00 C ATOM 108 C ASP A 10 3.464 5.435 -5.209 1.00 0.00 C ATOM 109 O ASP A 10 3.574 6.415 -4.480 1.00 0.00 O ATOM 110 CB ASP A 10 5.709 4.638 -4.338 1.00 0.00 C ATOM 111 CG ASP A 10 5.272 4.243 -2.935 1.00 0.00 C ATOM 112 OD1 ASP A 10 4.985 3.046 -2.715 1.00 0.00 O ATOM 113 OD2 ASP A 10 5.232 5.115 -2.042 1.00 0.00 O ATOM 0 H ASP A 10 5.162 3.635 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 10 4.199 3.434 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.582 4.050 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.016 5.684 -4.337 1.00 0.00 H new ATOM 118 N ASN A 11 2.382 5.185 -5.920 1.00 0.00 N ATOM 119 CA ASN A 11 1.246 6.100 -5.967 1.00 0.00 C ATOM 120 C ASN A 11 0.196 5.738 -4.944 1.00 0.00 C ATOM 121 O ASN A 11 -0.926 6.248 -4.985 1.00 0.00 O ATOM 122 CB ASN A 11 0.630 6.110 -7.371 1.00 0.00 C ATOM 123 CG ASN A 11 1.606 6.568 -8.443 1.00 0.00 C ATOM 124 OD1 ASN A 11 2.301 5.756 -9.057 1.00 0.00 O ATOM 125 ND2 ASN A 11 1.663 7.864 -8.682 1.00 0.00 N ATOM 0 H ASN A 11 2.260 4.343 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 11 1.616 7.097 -5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 11 0.276 5.108 -7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.241 6.766 -7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.298 8.224 -9.395 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.073 8.506 -8.154 1.00 0.00 H new ATOM 132 N ALA A 12 0.553 4.877 -4.026 1.00 0.00 N ATOM 133 CA ALA A 12 -0.362 4.438 -3.018 1.00 0.00 C ATOM 134 C ALA A 12 0.372 4.171 -1.735 1.00 0.00 C ATOM 135 O ALA A 12 1.512 3.715 -1.748 1.00 0.00 O ATOM 136 CB ALA A 12 -1.063 3.201 -3.484 1.00 0.00 C ATOM 0 H ALA A 12 1.484 4.465 -3.961 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.101 5.219 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.760 2.867 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.610 3.417 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.330 2.417 -3.675 1.00 0.00 H new ATOM 142 N GLU A 13 -0.268 4.456 -0.631 1.00 0.00 N ATOM 143 CA GLU A 13 0.351 4.272 0.664 1.00 0.00 C ATOM 144 C GLU A 13 -0.553 3.499 1.570 1.00 0.00 C ATOM 145 O GLU A 13 -0.363 3.442 2.788 1.00 0.00 O ATOM 146 CB GLU A 13 0.707 5.619 1.259 1.00 0.00 C ATOM 147 CG GLU A 13 1.620 6.437 0.375 1.00 0.00 C ATOM 148 CD GLU A 13 1.905 7.806 0.942 1.00 0.00 C ATOM 149 OE1 GLU A 13 2.746 7.919 1.852 1.00 0.00 O ATOM 150 OE2 GLU A 13 1.289 8.784 0.477 1.00 0.00 O ATOM 0 H GLU A 13 -1.221 4.818 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 13 1.269 3.697 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.209 6.181 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.188 5.467 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.560 5.903 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.166 6.543 -0.610 1.00 0.00 H new ATOM 157 N TYR A 14 -1.512 2.890 0.967 1.00 0.00 N ATOM 158 CA TYR A 14 -2.506 2.139 1.676 1.00 0.00 C ATOM 159 C TYR A 14 -2.787 0.833 0.978 1.00 0.00 C ATOM 160 O TYR A 14 -2.492 0.667 -0.203 1.00 0.00 O ATOM 161 CB TYR A 14 -3.794 2.942 1.835 1.00 0.00 C ATOM 162 CG TYR A 14 -3.621 4.240 2.593 1.00 0.00 C ATOM 163 CD1 TYR A 14 -3.436 5.437 1.918 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.645 4.266 3.981 1.00 0.00 C ATOM 165 CE1 TYR A 14 -3.284 6.626 2.602 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.492 5.450 4.674 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.314 6.627 3.979 1.00 0.00 C ATOM 168 OH TYR A 14 -3.166 7.811 4.663 1.00 0.00 O ATOM 0 H TYR A 14 -1.636 2.895 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.114 1.925 2.670 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.197 3.162 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -4.532 2.327 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.410 5.439 0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.786 3.345 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.142 7.550 2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.512 5.454 5.754 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.212 7.640 5.627 1.00 0.00 H new ATOM 178 N ILE A 15 -3.340 -0.082 1.718 1.00 0.00 N ATOM 179 CA ILE A 15 -3.664 -1.391 1.235 1.00 0.00 C ATOM 180 C ILE A 15 -5.128 -1.656 1.521 1.00 0.00 C ATOM 181 O ILE A 15 -5.751 -0.963 2.323 1.00 0.00 O ATOM 182 CB ILE A 15 -2.834 -2.467 1.951 1.00 0.00 C ATOM 183 CG1 ILE A 15 -3.333 -2.644 3.373 1.00 0.00 C ATOM 184 CG2 ILE A 15 -1.372 -2.106 1.939 1.00 0.00 C ATOM 185 CD1 ILE A 15 -2.542 -3.636 4.182 1.00 0.00 C ATOM 0 H ILE A 15 -3.584 0.065 2.697 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.449 -1.432 0.167 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.951 -3.412 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.309 -1.678 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.375 -2.963 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.802 -2.881 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.026 -2.022 0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.228 -1.153 2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.962 -3.705 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.586 -4.614 3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.504 -3.309 4.245 1.00 0.00 H new ATOM 197 N LYS A 16 -5.672 -2.619 0.873 1.00 0.00 N ATOM 198 CA LYS A 16 -7.047 -2.964 1.075 1.00 0.00 C ATOM 199 C LYS A 16 -7.135 -4.250 1.858 1.00 0.00 C ATOM 200 O LYS A 16 -6.331 -5.141 1.673 1.00 0.00 O ATOM 201 CB LYS A 16 -7.718 -3.129 -0.255 1.00 0.00 C ATOM 202 CG LYS A 16 -9.233 -3.206 -0.192 1.00 0.00 C ATOM 203 CD LYS A 16 -9.850 -3.182 -1.584 1.00 0.00 C ATOM 204 CE LYS A 16 -9.397 -4.371 -2.412 1.00 0.00 C ATOM 205 NZ LYS A 16 -10.034 -4.400 -3.748 1.00 0.00 N ATOM 0 H LYS A 16 -5.185 -3.195 0.186 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.545 -2.172 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.436 -2.294 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.340 -4.035 -0.728 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.531 -4.119 0.324 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.617 -2.370 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.937 -3.187 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.573 -2.257 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.314 -4.338 -2.529 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.632 -5.293 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.694 -5.229 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.067 -4.458 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.789 -3.533 -4.268 1.00 0.00 H new ATOM 219 N ILE A 17 -8.053 -4.316 2.758 1.00 0.00 N ATOM 220 CA ILE A 17 -8.264 -5.516 3.534 1.00 0.00 C ATOM 221 C ILE A 17 -9.733 -5.874 3.604 1.00 0.00 C ATOM 222 O ILE A 17 -10.583 -5.013 3.854 1.00 0.00 O ATOM 223 CB ILE A 17 -7.678 -5.425 4.957 1.00 0.00 C ATOM 224 CG1 ILE A 17 -6.159 -5.252 4.908 1.00 0.00 C ATOM 225 CG2 ILE A 17 -8.042 -6.660 5.755 1.00 0.00 C ATOM 226 CD1 ILE A 17 -5.529 -5.065 6.266 1.00 0.00 C ATOM 0 H ILE A 17 -8.685 -3.548 2.987 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.726 -6.307 3.011 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.106 -4.551 5.449 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.717 -6.126 4.429 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.920 -4.391 4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.622 -6.582 6.758 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.127 -6.743 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.640 -7.544 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.451 -4.949 6.154 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.943 -4.175 6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.737 -5.936 6.887 1.00 0.00 H new ATOM 238 N LYS A 18 -10.038 -7.132 3.365 1.00 0.00 N ATOM 239 CA LYS A 18 -11.394 -7.586 3.444 1.00 0.00 C ATOM 240 C LYS A 18 -11.619 -8.226 4.809 1.00 0.00 C ATOM 241 O LYS A 18 -11.132 -9.327 5.077 1.00 0.00 O ATOM 242 CB LYS A 18 -11.710 -8.608 2.349 1.00 0.00 C ATOM 243 CG LYS A 18 -10.804 -8.557 1.112 1.00 0.00 C ATOM 244 CD LYS A 18 -11.391 -9.391 -0.006 1.00 0.00 C ATOM 245 CE LYS A 18 -11.513 -10.853 0.387 1.00 0.00 C ATOM 246 NZ LYS A 18 -12.078 -11.672 -0.708 1.00 0.00 N ATOM 0 H LYS A 18 -9.360 -7.852 3.115 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.053 -6.729 3.305 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.649 -9.607 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.741 -8.462 2.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.687 -7.525 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.810 -8.925 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.374 -9.003 -0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.763 -9.304 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.531 -11.239 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.146 -10.940 1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.145 -12.663 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.026 -11.320 -0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.461 -11.609 -1.543 1.00 0.00 H new ATOM 260 N VAL A 19 -12.322 -7.524 5.668 1.00 0.00 N ATOM 261 CA VAL A 19 -12.631 -8.015 6.990 1.00 0.00 C ATOM 262 C VAL A 19 -13.839 -8.934 6.919 1.00 0.00 C ATOM 263 O VAL A 19 -14.905 -8.514 6.487 1.00 0.00 O ATOM 264 CB VAL A 19 -12.957 -6.838 7.948 1.00 0.00 C ATOM 265 CG1 VAL A 19 -13.371 -7.345 9.310 1.00 0.00 C ATOM 266 CG2 VAL A 19 -11.776 -5.879 8.069 1.00 0.00 C ATOM 0 H VAL A 19 -12.696 -6.596 5.469 1.00 0.00 H new ATOM 0 HA VAL A 19 -11.764 -8.556 7.369 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.795 -6.289 7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.593 -6.499 9.961 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.258 -7.970 9.211 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.560 -7.932 9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -12.036 -5.066 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.911 -6.415 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -11.537 -5.471 7.087 1.00 0.00 H new ATOM 276 N VAL A 20 -13.672 -10.177 7.326 1.00 0.00 N ATOM 277 CA VAL A 20 -14.764 -11.124 7.313 1.00 0.00 C ATOM 278 C VAL A 20 -15.178 -11.467 8.741 1.00 0.00 C ATOM 279 O VAL A 20 -14.381 -11.990 9.526 1.00 0.00 O ATOM 280 CB VAL A 20 -14.378 -12.424 6.564 1.00 0.00 C ATOM 281 CG1 VAL A 20 -15.547 -13.399 6.538 1.00 0.00 C ATOM 282 CG2 VAL A 20 -13.903 -12.114 5.151 1.00 0.00 C ATOM 0 H VAL A 20 -12.788 -10.553 7.670 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.598 -10.659 6.788 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.555 -12.894 7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.254 -14.305 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -15.832 -13.653 7.559 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.394 -12.938 6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.637 -13.042 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.701 -11.615 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.030 -11.462 5.195 1.00 0.00 H new ATOM 292 N GLY A 21 -16.415 -11.151 9.071 1.00 0.00 N ATOM 293 CA GLY A 21 -16.927 -11.433 10.392 1.00 0.00 C ATOM 294 C GLY A 21 -17.510 -12.821 10.507 1.00 0.00 C ATOM 295 O GLY A 21 -17.729 -13.496 9.496 1.00 0.00 O ATOM 0 H GLY A 21 -17.080 -10.700 8.443 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.124 -11.319 11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.693 -10.700 10.645 1.00 0.00 H new ATOM 299 N GLN A 22 -17.802 -13.232 11.733 1.00 0.00 N ATOM 300 CA GLN A 22 -18.331 -14.569 12.007 1.00 0.00 C ATOM 301 C GLN A 22 -19.735 -14.739 11.478 1.00 0.00 C ATOM 302 O GLN A 22 -20.157 -15.841 11.156 1.00 0.00 O ATOM 303 CB GLN A 22 -18.290 -14.882 13.495 1.00 0.00 C ATOM 304 CG GLN A 22 -16.888 -15.049 14.051 1.00 0.00 C ATOM 305 CD GLN A 22 -16.142 -16.210 13.419 1.00 0.00 C ATOM 306 OE1 GLN A 22 -15.465 -16.049 12.403 1.00 0.00 O ATOM 307 NE2 GLN A 22 -16.239 -17.374 14.026 1.00 0.00 N ATOM 0 H GLN A 22 -17.681 -12.654 12.565 1.00 0.00 H new ATOM 0 HA GLN A 22 -17.688 -15.276 11.483 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -18.793 -14.082 14.038 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -18.854 -15.796 13.679 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -16.325 -14.130 13.889 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.945 -15.202 15.129 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.811 -17.465 14.866 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.742 -18.185 13.657 1.00 0.00 H new ATOM 316 N ASP A 23 -20.444 -13.646 11.381 1.00 0.00 N ATOM 317 CA ASP A 23 -21.798 -13.648 10.860 1.00 0.00 C ATOM 318 C ASP A 23 -21.772 -13.602 9.339 1.00 0.00 C ATOM 319 O ASP A 23 -22.784 -13.323 8.692 1.00 0.00 O ATOM 320 CB ASP A 23 -22.595 -12.474 11.426 1.00 0.00 C ATOM 321 CG ASP A 23 -22.002 -11.123 11.087 1.00 0.00 C ATOM 322 OD1 ASP A 23 -20.879 -10.826 11.556 1.00 0.00 O ATOM 323 OD2 ASP A 23 -22.657 -10.346 10.373 1.00 0.00 O ATOM 0 H ASP A 23 -20.105 -12.725 11.659 1.00 0.00 H new ATOM 0 HA ASP A 23 -22.291 -14.569 11.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -23.615 -12.520 11.045 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.655 -12.574 12.510 1.00 0.00 H new ATOM 328 N SER A 24 -20.578 -13.862 8.793 1.00 0.00 N ATOM 329 CA SER A 24 -20.330 -13.908 7.349 1.00 0.00 C ATOM 330 C SER A 24 -20.319 -12.507 6.769 1.00 0.00 C ATOM 331 O SER A 24 -20.527 -12.305 5.568 1.00 0.00 O ATOM 332 CB SER A 24 -21.375 -14.800 6.637 1.00 0.00 C ATOM 333 OG SER A 24 -21.077 -14.956 5.257 1.00 0.00 O ATOM 0 H SER A 24 -19.745 -14.049 9.351 1.00 0.00 H new ATOM 0 HA SER A 24 -19.349 -14.352 7.182 1.00 0.00 H new ATOM 0 HB2 SER A 24 -21.405 -15.779 7.116 1.00 0.00 H new ATOM 0 HB3 SER A 24 -22.366 -14.360 6.748 1.00 0.00 H new ATOM 0 HG SER A 24 -20.771 -14.101 4.890 1.00 0.00 H new ATOM 339 N ASN A 25 -20.024 -11.544 7.614 1.00 0.00 N ATOM 340 CA ASN A 25 -20.018 -10.151 7.193 1.00 0.00 C ATOM 341 C ASN A 25 -18.653 -9.714 6.720 1.00 0.00 C ATOM 342 O ASN A 25 -17.753 -9.502 7.515 1.00 0.00 O ATOM 343 CB ASN A 25 -20.495 -9.237 8.314 1.00 0.00 C ATOM 344 CG ASN A 25 -20.569 -7.777 7.892 1.00 0.00 C ATOM 345 OD1 ASN A 25 -20.809 -7.461 6.720 1.00 0.00 O ATOM 346 ND2 ASN A 25 -20.361 -6.881 8.838 1.00 0.00 N ATOM 0 H ASN A 25 -19.785 -11.694 8.594 1.00 0.00 H new ATOM 0 HA ASN A 25 -20.710 -10.071 6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.479 -9.564 8.649 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.821 -9.331 9.165 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -20.395 -5.886 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -20.166 -7.183 9.793 1.00 0.00 H new ATOM 353 N GLU A 26 -18.507 -9.598 5.428 1.00 0.00 N ATOM 354 CA GLU A 26 -17.271 -9.118 4.846 1.00 0.00 C ATOM 355 C GLU A 26 -17.404 -7.648 4.506 1.00 0.00 C ATOM 356 O GLU A 26 -18.391 -7.226 3.896 1.00 0.00 O ATOM 357 CB GLU A 26 -16.882 -9.920 3.596 1.00 0.00 C ATOM 358 CG GLU A 26 -15.660 -9.369 2.859 1.00 0.00 C ATOM 359 CD GLU A 26 -15.363 -10.106 1.566 1.00 0.00 C ATOM 360 OE1 GLU A 26 -15.552 -9.508 0.479 1.00 0.00 O ATOM 361 OE2 GLU A 26 -14.950 -11.272 1.622 1.00 0.00 O ATOM 0 H GLU A 26 -19.232 -9.830 4.749 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.477 -9.253 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.684 -10.952 3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.729 -9.939 2.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.821 -8.313 2.640 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.790 -9.430 3.513 1.00 0.00 H new ATOM 368 N VAL A 27 -16.435 -6.877 4.922 1.00 0.00 N ATOM 369 CA VAL A 27 -16.412 -5.464 4.660 1.00 0.00 C ATOM 370 C VAL A 27 -15.054 -5.078 4.113 1.00 0.00 C ATOM 371 O VAL A 27 -14.027 -5.609 4.540 1.00 0.00 O ATOM 372 CB VAL A 27 -16.753 -4.642 5.930 1.00 0.00 C ATOM 373 CG1 VAL A 27 -15.780 -4.946 7.046 1.00 0.00 C ATOM 374 CG2 VAL A 27 -16.777 -3.154 5.625 1.00 0.00 C ATOM 0 H VAL A 27 -15.634 -7.215 5.456 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.178 -5.235 3.919 1.00 0.00 H new ATOM 0 HB VAL A 27 -17.750 -4.934 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.040 -4.357 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.828 -6.007 7.292 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -14.769 -4.693 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.019 -2.600 6.532 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.799 -2.842 5.259 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.531 -2.951 4.864 1.00 0.00 H new ATOM 384 N HIS A 28 -15.045 -4.181 3.162 1.00 0.00 N ATOM 385 CA HIS A 28 -13.817 -3.805 2.507 1.00 0.00 C ATOM 386 C HIS A 28 -13.274 -2.518 3.087 1.00 0.00 C ATOM 387 O HIS A 28 -13.832 -1.443 2.878 1.00 0.00 O ATOM 388 CB HIS A 28 -14.054 -3.658 1.005 1.00 0.00 C ATOM 389 CG HIS A 28 -14.518 -4.926 0.343 1.00 0.00 C ATOM 390 ND1 HIS A 28 -15.185 -4.950 -0.865 1.00 0.00 N ATOM 391 CD2 HIS A 28 -14.414 -6.221 0.735 1.00 0.00 C ATOM 392 CE1 HIS A 28 -15.473 -6.204 -1.181 1.00 0.00 C ATOM 393 NE2 HIS A 28 -15.015 -6.987 -0.227 1.00 0.00 N ATOM 0 H HIS A 28 -15.875 -3.696 2.822 1.00 0.00 H new ATOM 0 HA HIS A 28 -13.077 -4.588 2.673 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -14.796 -2.878 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.130 -3.327 0.530 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.944 -6.581 1.639 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -15.994 -6.528 -2.069 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.095 -8.004 -0.208 1.00 0.00 H new ATOM 401 N PHE A 29 -12.193 -2.637 3.821 1.00 0.00 N ATOM 402 CA PHE A 29 -11.549 -1.492 4.429 1.00 0.00 C ATOM 403 C PHE A 29 -10.224 -1.186 3.784 1.00 0.00 C ATOM 404 O PHE A 29 -9.514 -2.081 3.319 1.00 0.00 O ATOM 405 CB PHE A 29 -11.342 -1.689 5.931 1.00 0.00 C ATOM 406 CG PHE A 29 -12.552 -1.401 6.774 1.00 0.00 C ATOM 407 CD1 PHE A 29 -13.213 -2.409 7.447 1.00 0.00 C ATOM 408 CD2 PHE A 29 -13.018 -0.100 6.900 1.00 0.00 C ATOM 409 CE1 PHE A 29 -14.315 -2.127 8.231 1.00 0.00 C ATOM 410 CE2 PHE A 29 -14.120 0.185 7.679 1.00 0.00 C ATOM 411 CZ PHE A 29 -14.768 -0.831 8.345 1.00 0.00 C ATOM 0 H PHE A 29 -11.734 -3.527 4.015 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.221 -0.648 4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.028 -2.718 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.526 -1.045 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.865 -3.428 7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.511 0.700 6.381 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -14.822 -2.924 8.755 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.473 1.202 7.766 1.00 0.00 H new ATOM 0 HZ PHE A 29 -15.631 -0.612 8.956 1.00 0.00 H new ATOM 421 N ARG A 30 -9.903 0.079 3.747 1.00 0.00 N ATOM 422 CA ARG A 30 -8.642 0.525 3.236 1.00 0.00 C ATOM 423 C ARG A 30 -7.801 1.002 4.409 1.00 0.00 C ATOM 424 O ARG A 30 -8.179 1.937 5.117 1.00 0.00 O ATOM 425 CB ARG A 30 -8.843 1.664 2.247 1.00 0.00 C ATOM 426 CG ARG A 30 -7.579 2.094 1.525 1.00 0.00 C ATOM 427 CD ARG A 30 -7.190 1.100 0.439 1.00 0.00 C ATOM 428 NE ARG A 30 -6.089 1.600 -0.391 1.00 0.00 N ATOM 429 CZ ARG A 30 -5.566 0.944 -1.432 1.00 0.00 C ATOM 430 NH1 ARG A 30 -6.057 -0.231 -1.791 1.00 0.00 N ATOM 431 NH2 ARG A 30 -4.565 1.476 -2.122 1.00 0.00 N ATOM 0 H ARG A 30 -10.513 0.829 4.072 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.142 -0.292 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.585 1.361 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.254 2.523 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.729 3.078 1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.764 2.188 2.242 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.898 0.156 0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.055 0.894 -0.191 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.695 2.511 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.836 -0.638 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.657 -0.730 -2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.192 2.388 -1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.168 0.973 -2.916 1.00 0.00 H new ATOM 445 N VAL A 31 -6.686 0.362 4.609 1.00 0.00 N ATOM 446 CA VAL A 31 -5.802 0.674 5.723 1.00 0.00 C ATOM 447 C VAL A 31 -4.378 0.775 5.232 1.00 0.00 C ATOM 448 O VAL A 31 -4.099 0.474 4.096 1.00 0.00 O ATOM 449 CB VAL A 31 -5.875 -0.379 6.856 1.00 0.00 C ATOM 450 CG1 VAL A 31 -7.282 -0.471 7.433 1.00 0.00 C ATOM 451 CG2 VAL A 31 -5.407 -1.730 6.364 1.00 0.00 C ATOM 0 H VAL A 31 -6.353 -0.394 4.011 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.135 1.626 6.136 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.207 -0.056 7.655 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.302 -1.218 8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.572 0.498 7.840 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.980 -0.758 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.467 -2.454 7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.041 -2.057 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.375 -1.655 6.021 1.00 0.00 H new ATOM 461 N LYS A 32 -3.499 1.210 6.071 1.00 0.00 N ATOM 462 CA LYS A 32 -2.115 1.367 5.700 1.00 0.00 C ATOM 463 C LYS A 32 -1.352 0.068 5.958 1.00 0.00 C ATOM 464 O LYS A 32 -1.776 -0.747 6.769 1.00 0.00 O ATOM 465 CB LYS A 32 -1.494 2.502 6.509 1.00 0.00 C ATOM 466 CG LYS A 32 -0.146 2.966 5.995 1.00 0.00 C ATOM 467 CD LYS A 32 0.376 4.162 6.777 1.00 0.00 C ATOM 468 CE LYS A 32 0.665 3.805 8.229 1.00 0.00 C ATOM 469 NZ LYS A 32 1.230 4.952 8.980 1.00 0.00 N ATOM 0 H LYS A 32 -3.710 1.469 7.035 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.055 1.606 4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.180 3.349 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.384 2.178 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.570 2.147 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.230 3.230 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.286 4.535 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.356 4.969 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.255 3.473 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.363 2.969 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.412 4.667 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.121 5.253 8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.553 5.742 8.968 1.00 0.00 H new ATOM 483 N TYR A 33 -0.230 -0.121 5.259 1.00 0.00 N ATOM 484 CA TYR A 33 0.640 -1.278 5.509 1.00 0.00 C ATOM 485 C TYR A 33 1.040 -1.300 6.986 1.00 0.00 C ATOM 486 O TYR A 33 1.086 -2.350 7.616 1.00 0.00 O ATOM 487 CB TYR A 33 1.939 -1.169 4.689 1.00 0.00 C ATOM 488 CG TYR A 33 1.827 -1.387 3.193 1.00 0.00 C ATOM 489 CD1 TYR A 33 1.582 -0.325 2.326 1.00 0.00 C ATOM 490 CD2 TYR A 33 2.006 -2.652 2.645 1.00 0.00 C ATOM 491 CE1 TYR A 33 1.516 -0.521 0.956 1.00 0.00 C ATOM 492 CE2 TYR A 33 1.938 -2.858 1.280 1.00 0.00 C ATOM 493 CZ TYR A 33 1.693 -1.792 0.439 1.00 0.00 C ATOM 494 OH TYR A 33 1.628 -1.995 -0.922 1.00 0.00 O ATOM 0 H TYR A 33 0.097 0.504 4.522 1.00 0.00 H new ATOM 0 HA TYR A 33 0.093 -2.178 5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.364 -0.179 4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.652 -1.893 5.085 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.441 0.667 2.728 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.202 -3.490 3.298 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.328 0.313 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.076 -3.849 0.873 1.00 0.00 H new ATOM 0 HH TYR A 33 1.775 -2.944 -1.119 1.00 0.00 H new ATOM 504 N GLY A 34 1.308 -0.116 7.526 1.00 0.00 N ATOM 505 CA GLY A 34 1.732 0.007 8.900 1.00 0.00 C ATOM 506 C GLY A 34 0.593 0.353 9.829 1.00 0.00 C ATOM 507 O GLY A 34 0.806 0.957 10.879 1.00 0.00 O ATOM 0 H GLY A 34 1.236 0.769 7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.187 -0.930 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.501 0.776 8.972 1.00 0.00 H new ATOM 511 N THR A 35 -0.619 0.012 9.428 1.00 0.00 N ATOM 512 CA THR A 35 -1.780 0.266 10.227 1.00 0.00 C ATOM 513 C THR A 35 -1.789 -0.570 11.512 1.00 0.00 C ATOM 514 O THR A 35 -1.424 -1.748 11.514 1.00 0.00 O ATOM 515 CB THR A 35 -3.074 0.045 9.406 1.00 0.00 C ATOM 516 OG1 THR A 35 -3.500 1.284 8.811 1.00 0.00 O ATOM 517 CG2 THR A 35 -4.191 -0.560 10.239 1.00 0.00 C ATOM 0 H THR A 35 -0.814 -0.448 8.539 1.00 0.00 H new ATOM 0 HA THR A 35 -1.743 1.313 10.529 1.00 0.00 H new ATOM 0 HB THR A 35 -2.842 -0.672 8.618 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.398 1.510 9.133 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.076 -0.695 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.871 -1.526 10.630 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.428 0.106 11.068 1.00 0.00 H new ATOM 525 N SER A 36 -2.178 0.072 12.599 1.00 0.00 N ATOM 526 CA SER A 36 -2.264 -0.571 13.886 1.00 0.00 C ATOM 527 C SER A 36 -3.674 -1.119 14.094 1.00 0.00 C ATOM 528 O SER A 36 -4.621 -0.648 13.460 1.00 0.00 O ATOM 529 CB SER A 36 -1.906 0.422 14.978 1.00 0.00 C ATOM 530 OG SER A 36 -0.595 0.937 14.784 1.00 0.00 O ATOM 0 H SER A 36 -2.443 1.057 12.608 1.00 0.00 H new ATOM 0 HA SER A 36 -1.560 -1.402 13.928 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.626 1.240 14.981 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.970 -0.063 15.952 1.00 0.00 H new ATOM 0 HG SER A 36 -0.386 1.576 15.497 1.00 0.00 H new ATOM 536 N MET A 37 -3.814 -2.090 14.997 1.00 0.00 N ATOM 537 CA MET A 37 -5.107 -2.758 15.235 1.00 0.00 C ATOM 538 C MET A 37 -6.247 -1.764 15.520 1.00 0.00 C ATOM 539 O MET A 37 -7.379 -1.986 15.107 1.00 0.00 O ATOM 540 CB MET A 37 -5.001 -3.748 16.404 1.00 0.00 C ATOM 541 CG MET A 37 -4.813 -3.085 17.762 1.00 0.00 C ATOM 542 SD MET A 37 -4.808 -4.256 19.129 1.00 0.00 S ATOM 543 CE MET A 37 -4.600 -3.137 20.513 1.00 0.00 C ATOM 0 H MET A 37 -3.051 -2.436 15.579 1.00 0.00 H new ATOM 0 HA MET A 37 -5.347 -3.290 14.315 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.903 -4.360 16.432 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.164 -4.422 16.221 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.873 -2.532 17.762 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.610 -2.358 17.918 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.837 -3.528 21.186 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.293 -2.158 20.146 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.544 -3.043 21.050 1.00 0.00 H new ATOM 553 N ALA A 38 -5.932 -0.665 16.188 1.00 0.00 N ATOM 554 CA ALA A 38 -6.939 0.313 16.582 1.00 0.00 C ATOM 555 C ALA A 38 -7.645 0.924 15.390 1.00 0.00 C ATOM 556 O ALA A 38 -8.837 1.177 15.444 1.00 0.00 O ATOM 557 CB ALA A 38 -6.338 1.401 17.447 1.00 0.00 C ATOM 0 H ALA A 38 -4.982 -0.426 16.471 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.684 -0.228 17.165 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.113 2.115 17.725 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.914 0.957 18.348 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.553 1.915 16.892 1.00 0.00 H new ATOM 563 N LYS A 39 -6.910 1.137 14.309 1.00 0.00 N ATOM 564 CA LYS A 39 -7.457 1.820 13.142 1.00 0.00 C ATOM 565 C LYS A 39 -8.654 1.056 12.581 1.00 0.00 C ATOM 566 O LYS A 39 -9.661 1.654 12.210 1.00 0.00 O ATOM 567 CB LYS A 39 -6.386 1.955 12.052 1.00 0.00 C ATOM 568 CG LYS A 39 -5.130 2.690 12.509 1.00 0.00 C ATOM 569 CD LYS A 39 -5.438 4.097 12.985 1.00 0.00 C ATOM 570 CE LYS A 39 -4.176 4.816 13.425 1.00 0.00 C ATOM 571 NZ LYS A 39 -4.466 6.168 13.953 1.00 0.00 N ATOM 0 H LYS A 39 -5.936 0.849 14.214 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.783 2.812 13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.107 0.960 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.814 2.482 11.199 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.655 2.130 13.315 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.416 2.733 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.919 4.658 12.183 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.145 4.057 13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.672 4.228 14.191 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.490 4.895 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.578 6.625 14.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.924 6.738 13.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.100 6.091 14.774 1.00 0.00 H new ATOM 585 N LEU A 40 -8.543 -0.259 12.548 1.00 0.00 N ATOM 586 CA LEU A 40 -9.607 -1.100 12.018 1.00 0.00 C ATOM 587 C LEU A 40 -10.624 -1.464 13.079 1.00 0.00 C ATOM 588 O LEU A 40 -11.825 -1.387 12.849 1.00 0.00 O ATOM 589 CB LEU A 40 -9.056 -2.375 11.361 1.00 0.00 C ATOM 590 CG LEU A 40 -8.001 -3.165 12.154 1.00 0.00 C ATOM 591 CD1 LEU A 40 -8.097 -4.642 11.827 1.00 0.00 C ATOM 592 CD2 LEU A 40 -6.610 -2.662 11.816 1.00 0.00 C ATOM 0 H LEU A 40 -7.726 -0.771 12.882 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.109 -0.508 11.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.894 -3.040 11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.623 -2.101 10.399 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.188 -3.021 13.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.345 -5.190 12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.089 -5.009 12.090 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.926 -4.790 10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.871 -3.228 12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.426 -2.791 10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.533 -1.605 12.073 1.00 0.00 H new ATOM 604 N LYS A 41 -10.135 -1.863 14.240 1.00 0.00 N ATOM 605 CA LYS A 41 -10.993 -2.324 15.316 1.00 0.00 C ATOM 606 C LYS A 41 -11.907 -1.242 15.789 1.00 0.00 C ATOM 607 O LYS A 41 -13.088 -1.464 15.946 1.00 0.00 O ATOM 608 CB LYS A 41 -10.144 -2.805 16.461 1.00 0.00 C ATOM 609 CG LYS A 41 -9.369 -4.053 16.142 1.00 0.00 C ATOM 610 CD LYS A 41 -8.382 -4.367 17.226 1.00 0.00 C ATOM 611 CE LYS A 41 -9.077 -4.759 18.524 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.109 -5.133 19.583 1.00 0.00 N ATOM 0 H LYS A 41 -9.140 -1.877 14.462 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.607 -3.140 14.936 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.448 -2.016 16.745 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.783 -2.993 17.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.056 -4.890 16.018 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.845 -3.927 15.194 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.731 -5.179 16.902 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.746 -3.500 17.401 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.691 -3.928 18.871 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.750 -5.596 18.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.384 -4.682 20.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.106 -6.166 19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.157 -4.813 19.312 1.00 0.00 H new ATOM 626 N LYS A 42 -11.362 -0.068 15.988 1.00 0.00 N ATOM 627 CA LYS A 42 -12.165 1.069 16.390 1.00 0.00 C ATOM 628 C LYS A 42 -13.185 1.372 15.316 1.00 0.00 C ATOM 629 O LYS A 42 -14.336 1.656 15.602 1.00 0.00 O ATOM 630 CB LYS A 42 -11.292 2.299 16.641 1.00 0.00 C ATOM 631 CG LYS A 42 -12.069 3.536 17.074 1.00 0.00 C ATOM 632 CD LYS A 42 -11.146 4.721 17.320 1.00 0.00 C ATOM 633 CE LYS A 42 -10.451 5.167 16.039 1.00 0.00 C ATOM 634 NZ LYS A 42 -11.414 5.667 15.022 1.00 0.00 N ATOM 0 H LYS A 42 -10.367 0.129 15.879 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.674 0.820 17.321 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.556 2.058 17.408 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.739 2.531 15.731 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.798 3.795 16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.628 3.315 17.983 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.721 5.551 17.731 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.398 4.451 18.065 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.732 5.952 16.272 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -9.888 4.331 15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.895 6.144 14.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.951 4.867 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.070 6.340 15.467 1.00 0.00 H new ATOM 648 N SER A 43 -12.745 1.297 14.077 1.00 0.00 N ATOM 649 CA SER A 43 -13.597 1.601 12.947 1.00 0.00 C ATOM 650 C SER A 43 -14.766 0.609 12.849 1.00 0.00 C ATOM 651 O SER A 43 -15.937 1.007 12.762 1.00 0.00 O ATOM 652 CB SER A 43 -12.761 1.576 11.658 1.00 0.00 C ATOM 653 OG SER A 43 -13.554 1.864 10.523 1.00 0.00 O ATOM 0 H SER A 43 -11.794 1.026 13.826 1.00 0.00 H new ATOM 0 HA SER A 43 -14.021 2.595 13.086 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.952 2.303 11.733 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.299 0.596 11.541 1.00 0.00 H new ATOM 0 HG SER A 43 -13.463 1.141 9.868 1.00 0.00 H new ATOM 659 N TYR A 44 -14.442 -0.669 12.885 1.00 0.00 N ATOM 660 CA TYR A 44 -15.429 -1.729 12.784 1.00 0.00 C ATOM 661 C TYR A 44 -16.301 -1.823 14.018 1.00 0.00 C ATOM 662 O TYR A 44 -17.517 -1.918 13.914 1.00 0.00 O ATOM 663 CB TYR A 44 -14.715 -3.034 12.563 1.00 0.00 C ATOM 664 CG TYR A 44 -15.608 -4.217 12.272 1.00 0.00 C ATOM 665 CD1 TYR A 44 -15.882 -4.598 10.967 1.00 0.00 C ATOM 666 CD2 TYR A 44 -16.160 -4.958 13.302 1.00 0.00 C ATOM 667 CE1 TYR A 44 -16.680 -5.691 10.697 1.00 0.00 C ATOM 668 CE2 TYR A 44 -16.962 -6.050 13.044 1.00 0.00 C ATOM 669 CZ TYR A 44 -17.218 -6.414 11.738 1.00 0.00 C ATOM 670 OH TYR A 44 -18.008 -7.506 11.473 1.00 0.00 O ATOM 0 H TYR A 44 -13.484 -1.004 12.985 1.00 0.00 H new ATOM 0 HA TYR A 44 -16.087 -1.502 11.945 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -14.019 -2.912 11.733 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -14.120 -3.258 13.448 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -15.464 -4.030 10.149 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -15.959 -4.677 14.325 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -16.881 -5.978 9.675 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -17.387 -6.617 13.859 1.00 0.00 H new ATOM 0 HH TYR A 44 -18.307 -7.906 12.316 1.00 0.00 H new ATOM 680 N ALA A 45 -15.682 -1.791 15.178 1.00 0.00 N ATOM 681 CA ALA A 45 -16.415 -1.899 16.427 1.00 0.00 C ATOM 682 C ALA A 45 -17.405 -0.770 16.543 1.00 0.00 C ATOM 683 O ALA A 45 -18.518 -0.942 17.038 1.00 0.00 O ATOM 684 CB ALA A 45 -15.470 -1.902 17.614 1.00 0.00 C ATOM 0 H ALA A 45 -14.673 -1.691 15.286 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.956 -2.845 16.428 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.045 -1.984 18.536 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.789 -2.749 17.535 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.897 -0.975 17.625 1.00 0.00 H new ATOM 690 N ASP A 46 -16.999 0.382 16.066 1.00 0.00 N ATOM 691 CA ASP A 46 -17.840 1.574 16.143 1.00 0.00 C ATOM 692 C ASP A 46 -19.087 1.422 15.285 1.00 0.00 C ATOM 693 O ASP A 46 -20.198 1.699 15.732 1.00 0.00 O ATOM 694 CB ASP A 46 -17.072 2.817 15.711 1.00 0.00 C ATOM 695 CG ASP A 46 -17.889 4.087 15.854 1.00 0.00 C ATOM 696 OD1 ASP A 46 -18.004 4.608 16.986 1.00 0.00 O ATOM 697 OD2 ASP A 46 -18.424 4.569 14.837 1.00 0.00 O ATOM 0 H ASP A 46 -16.094 0.529 15.619 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.141 1.690 17.184 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.164 2.904 16.308 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.761 2.705 14.672 1.00 0.00 H new ATOM 702 N ARG A 47 -18.898 0.948 14.058 1.00 0.00 N ATOM 703 CA ARG A 47 -20.005 0.801 13.115 1.00 0.00 C ATOM 704 C ARG A 47 -20.977 -0.291 13.560 1.00 0.00 C ATOM 705 O ARG A 47 -22.148 -0.275 13.193 1.00 0.00 O ATOM 706 CB ARG A 47 -19.479 0.502 11.699 1.00 0.00 C ATOM 707 CG ARG A 47 -18.891 -0.886 11.531 1.00 0.00 C ATOM 708 CD ARG A 47 -18.359 -1.102 10.128 1.00 0.00 C ATOM 709 NE ARG A 47 -19.407 -0.999 9.113 1.00 0.00 N ATOM 710 CZ ARG A 47 -19.185 -0.747 7.822 1.00 0.00 C ATOM 711 NH1 ARG A 47 -17.956 -0.477 7.393 1.00 0.00 N ATOM 712 NH2 ARG A 47 -20.196 -0.739 6.968 1.00 0.00 N ATOM 0 H ARG A 47 -17.991 0.659 13.692 1.00 0.00 H new ATOM 0 HA ARG A 47 -20.547 1.747 13.095 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.295 0.627 10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.718 1.239 11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -18.086 -1.030 12.252 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.653 -1.633 11.751 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -17.582 -0.367 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.893 -2.085 10.066 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.373 -1.129 9.413 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.178 -0.462 8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.791 -0.285 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.143 -0.925 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.028 -0.546 5.981 1.00 0.00 H new ATOM 726 N THR A 48 -20.487 -1.236 14.347 1.00 0.00 N ATOM 727 CA THR A 48 -21.316 -2.330 14.813 1.00 0.00 C ATOM 728 C THR A 48 -21.890 -2.050 16.219 1.00 0.00 C ATOM 729 O THR A 48 -22.766 -2.776 16.700 1.00 0.00 O ATOM 730 CB THR A 48 -20.547 -3.688 14.768 1.00 0.00 C ATOM 731 OG1 THR A 48 -21.413 -4.778 15.108 1.00 0.00 O ATOM 732 CG2 THR A 48 -19.347 -3.677 15.697 1.00 0.00 C ATOM 0 H THR A 48 -19.521 -1.265 14.674 1.00 0.00 H new ATOM 0 HA THR A 48 -22.161 -2.411 14.130 1.00 0.00 H new ATOM 0 HB THR A 48 -20.191 -3.823 13.747 1.00 0.00 H new ATOM 0 HG1 THR A 48 -22.099 -4.468 15.736 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.835 -4.637 15.641 1.00 0.00 H new ATOM 0 HG22 THR A 48 -18.663 -2.883 15.398 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.680 -3.503 16.720 1.00 0.00 H new ATOM 740 N GLY A 49 -21.414 -0.972 16.855 1.00 0.00 N ATOM 741 CA GLY A 49 -21.908 -0.600 18.180 1.00 0.00 C ATOM 742 C GLY A 49 -21.400 -1.511 19.287 1.00 0.00 C ATOM 743 O GLY A 49 -22.086 -1.728 20.289 1.00 0.00 O ATOM 0 H GLY A 49 -20.698 -0.352 16.477 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.610 0.426 18.397 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.998 -0.620 18.173 1.00 0.00 H new ATOM 747 N VAL A 50 -20.204 -2.033 19.106 1.00 0.00 N ATOM 748 CA VAL A 50 -19.598 -2.949 20.059 1.00 0.00 C ATOM 749 C VAL A 50 -18.292 -2.377 20.606 1.00 0.00 C ATOM 750 O VAL A 50 -17.616 -1.603 19.926 1.00 0.00 O ATOM 751 CB VAL A 50 -19.325 -4.338 19.416 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.597 -5.260 20.389 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.626 -4.977 18.952 1.00 0.00 C ATOM 0 H VAL A 50 -19.621 -1.835 18.293 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.306 -3.077 20.878 1.00 0.00 H new ATOM 0 HB VAL A 50 -18.682 -4.186 18.549 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.419 -6.224 19.913 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.644 -4.813 20.670 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.207 -5.403 21.281 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -20.415 -5.948 18.505 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -21.292 -5.107 19.805 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.104 -4.334 18.213 1.00 0.00 H new ATOM 763 N ALA A 51 -17.977 -2.719 21.858 1.00 0.00 N ATOM 764 CA ALA A 51 -16.728 -2.313 22.482 1.00 0.00 C ATOM 765 C ALA A 51 -15.541 -2.676 21.588 1.00 0.00 C ATOM 766 O ALA A 51 -15.458 -3.794 21.066 1.00 0.00 O ATOM 767 CB ALA A 51 -16.587 -2.989 23.842 1.00 0.00 C ATOM 0 H ALA A 51 -18.580 -3.281 22.459 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.739 -1.232 22.619 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -15.650 -2.682 24.306 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.421 -2.698 24.481 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -16.590 -4.071 23.712 1.00 0.00 H new ATOM 773 N VAL A 52 -14.628 -1.728 21.431 1.00 0.00 N ATOM 774 CA VAL A 52 -13.460 -1.890 20.567 1.00 0.00 C ATOM 775 C VAL A 52 -12.589 -3.047 21.038 1.00 0.00 C ATOM 776 O VAL A 52 -12.145 -3.873 20.241 1.00 0.00 O ATOM 777 CB VAL A 52 -12.613 -0.589 20.529 1.00 0.00 C ATOM 778 CG1 VAL A 52 -11.308 -0.799 19.772 1.00 0.00 C ATOM 779 CG2 VAL A 52 -13.415 0.554 19.922 1.00 0.00 C ATOM 0 H VAL A 52 -14.673 -0.822 21.898 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.825 -2.106 19.563 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.359 -0.324 21.555 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.739 0.130 19.764 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.724 -1.578 20.262 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.526 -1.100 18.747 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.805 1.457 19.904 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.708 0.293 18.905 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.308 0.731 20.522 1.00 0.00 H new ATOM 789 N ASN A 53 -12.365 -3.109 22.337 1.00 0.00 N ATOM 790 CA ASN A 53 -11.549 -4.170 22.928 1.00 0.00 C ATOM 791 C ASN A 53 -12.266 -5.509 22.874 1.00 0.00 C ATOM 792 O ASN A 53 -11.637 -6.569 22.932 1.00 0.00 O ATOM 793 CB ASN A 53 -11.155 -3.826 24.365 1.00 0.00 C ATOM 794 CG ASN A 53 -10.135 -2.704 24.430 1.00 0.00 C ATOM 795 OD1 ASN A 53 -9.338 -2.520 23.508 1.00 0.00 O ATOM 796 ND2 ASN A 53 -10.154 -1.949 25.511 1.00 0.00 N ATOM 0 H ASN A 53 -12.735 -2.438 23.011 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.637 -4.252 22.337 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.045 -3.538 24.924 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.747 -4.713 24.850 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.492 -1.179 25.607 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.830 -2.135 26.251 1.00 0.00 H new ATOM 803 N SER A 54 -13.583 -5.456 22.768 1.00 0.00 N ATOM 804 CA SER A 54 -14.398 -6.652 22.687 1.00 0.00 C ATOM 805 C SER A 54 -14.396 -7.223 21.279 1.00 0.00 C ATOM 806 O SER A 54 -14.860 -8.341 21.051 1.00 0.00 O ATOM 807 CB SER A 54 -15.813 -6.343 23.118 1.00 0.00 C ATOM 808 OG SER A 54 -15.844 -5.939 24.471 1.00 0.00 O ATOM 0 H SER A 54 -14.114 -4.586 22.736 1.00 0.00 H new ATOM 0 HA SER A 54 -13.972 -7.399 23.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.227 -5.555 22.488 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.441 -7.223 22.981 1.00 0.00 H new ATOM 0 HG SER A 54 -15.375 -6.601 25.021 1.00 0.00 H new ATOM 814 N LEU A 55 -13.874 -6.456 20.346 1.00 0.00 N ATOM 815 CA LEU A 55 -13.762 -6.897 18.978 1.00 0.00 C ATOM 816 C LEU A 55 -12.391 -7.496 18.769 1.00 0.00 C ATOM 817 O LEU A 55 -11.379 -6.890 19.117 1.00 0.00 O ATOM 818 CB LEU A 55 -13.957 -5.722 18.015 1.00 0.00 C ATOM 819 CG LEU A 55 -15.123 -5.836 17.030 1.00 0.00 C ATOM 820 CD1 LEU A 55 -15.049 -7.131 16.244 1.00 0.00 C ATOM 821 CD2 LEU A 55 -16.449 -5.721 17.747 1.00 0.00 C ATOM 0 H LEU A 55 -13.518 -5.515 20.516 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.534 -7.640 18.778 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.095 -4.816 18.605 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.038 -5.593 17.443 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.045 -5.009 16.325 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -15.890 -7.185 15.552 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -14.115 -7.163 15.683 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.089 -7.976 16.931 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.261 -5.805 17.025 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.534 -6.519 18.484 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.508 -4.755 18.249 1.00 0.00 H new ATOM 833 N ARG A 56 -12.351 -8.685 18.214 1.00 0.00 N ATOM 834 CA ARG A 56 -11.092 -9.367 18.021 1.00 0.00 C ATOM 835 C ARG A 56 -10.830 -9.602 16.563 1.00 0.00 C ATOM 836 O ARG A 56 -11.561 -10.339 15.897 1.00 0.00 O ATOM 837 CB ARG A 56 -11.041 -10.700 18.783 1.00 0.00 C ATOM 838 CG ARG A 56 -10.700 -10.571 20.266 1.00 0.00 C ATOM 839 CD ARG A 56 -11.898 -10.129 21.095 1.00 0.00 C ATOM 840 NE ARG A 56 -12.987 -11.116 21.054 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.055 -12.201 21.839 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.108 -12.437 22.743 1.00 0.00 N ATOM 843 NH2 ARG A 56 -14.074 -13.042 21.721 1.00 0.00 N ATOM 0 H ARG A 56 -13.171 -9.198 17.890 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.313 -8.719 18.423 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.007 -11.195 18.687 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.303 -11.347 18.309 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.336 -11.529 20.638 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.890 -9.852 20.390 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.587 -9.974 22.128 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.262 -9.171 20.724 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.741 -10.965 20.384 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.325 -11.791 22.842 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.165 -13.264 23.337 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.806 -12.863 21.033 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.126 -13.867 22.318 1.00 0.00 H new ATOM 857 N PHE A 57 -9.796 -8.970 16.070 1.00 0.00 N ATOM 858 CA PHE A 57 -9.390 -9.126 14.699 1.00 0.00 C ATOM 859 C PHE A 57 -8.145 -9.970 14.625 1.00 0.00 C ATOM 860 O PHE A 57 -7.150 -9.699 15.315 1.00 0.00 O ATOM 861 CB PHE A 57 -9.138 -7.770 14.068 1.00 0.00 C ATOM 862 CG PHE A 57 -10.384 -6.989 13.801 1.00 0.00 C ATOM 863 CD1 PHE A 57 -11.132 -6.466 14.836 1.00 0.00 C ATOM 864 CD2 PHE A 57 -10.793 -6.763 12.508 1.00 0.00 C ATOM 865 CE1 PHE A 57 -12.268 -5.738 14.580 1.00 0.00 C ATOM 866 CE2 PHE A 57 -11.925 -6.037 12.245 1.00 0.00 C ATOM 867 CZ PHE A 57 -12.663 -5.525 13.281 1.00 0.00 C ATOM 0 H PHE A 57 -9.211 -8.332 16.610 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.190 -9.623 14.150 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -8.490 -7.189 14.724 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.600 -7.910 13.130 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.821 -6.631 15.857 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.214 -7.163 11.689 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -12.849 -5.334 15.396 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.235 -5.869 11.224 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.556 -4.953 13.076 1.00 0.00 H new ATOM 877 N LEU A 58 -8.202 -10.987 13.813 1.00 0.00 N ATOM 878 CA LEU A 58 -7.100 -11.892 13.644 1.00 0.00 C ATOM 879 C LEU A 58 -6.701 -11.990 12.192 1.00 0.00 C ATOM 880 O LEU A 58 -7.543 -12.013 11.302 1.00 0.00 O ATOM 881 CB LEU A 58 -7.435 -13.289 14.187 1.00 0.00 C ATOM 882 CG LEU A 58 -7.257 -13.489 15.698 1.00 0.00 C ATOM 883 CD1 LEU A 58 -8.329 -12.770 16.496 1.00 0.00 C ATOM 884 CD2 LEU A 58 -7.223 -14.961 16.042 1.00 0.00 C ATOM 0 H LEU A 58 -9.019 -11.213 13.246 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.262 -11.492 14.215 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.470 -13.517 13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.810 -14.017 13.669 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.300 -13.047 15.975 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.165 -12.938 17.560 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.283 -11.701 16.286 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.310 -13.153 16.215 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.096 -15.080 17.118 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.158 -15.429 15.733 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.391 -15.437 15.524 1.00 0.00 H new ATOM 896 N PHE A 59 -5.425 -12.044 11.960 1.00 0.00 N ATOM 897 CA PHE A 59 -4.903 -12.182 10.632 1.00 0.00 C ATOM 898 C PHE A 59 -4.394 -13.585 10.445 1.00 0.00 C ATOM 899 O PHE A 59 -3.493 -14.010 11.142 1.00 0.00 O ATOM 900 CB PHE A 59 -3.783 -11.176 10.389 1.00 0.00 C ATOM 901 CG PHE A 59 -3.134 -11.324 9.044 1.00 0.00 C ATOM 902 CD1 PHE A 59 -3.818 -10.986 7.894 1.00 0.00 C ATOM 903 CD2 PHE A 59 -1.835 -11.794 8.935 1.00 0.00 C ATOM 904 CE1 PHE A 59 -3.223 -11.114 6.657 1.00 0.00 C ATOM 905 CE2 PHE A 59 -1.235 -11.927 7.702 1.00 0.00 C ATOM 906 CZ PHE A 59 -1.930 -11.586 6.560 1.00 0.00 C ATOM 0 H PHE A 59 -4.713 -11.994 12.688 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.697 -11.984 9.912 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.184 -10.167 10.482 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.026 -11.291 11.165 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.831 -10.617 7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.287 -12.059 9.827 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.768 -10.845 5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.223 -12.297 7.630 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.463 -11.688 5.592 1.00 0.00 H new ATOM 916 N ASP A 60 -5.001 -14.308 9.527 1.00 0.00 N ATOM 917 CA ASP A 60 -4.617 -15.699 9.227 1.00 0.00 C ATOM 918 C ASP A 60 -4.680 -16.593 10.489 1.00 0.00 C ATOM 919 O ASP A 60 -4.093 -17.672 10.537 1.00 0.00 O ATOM 920 CB ASP A 60 -3.210 -15.725 8.619 1.00 0.00 C ATOM 921 CG ASP A 60 -2.855 -17.059 7.998 1.00 0.00 C ATOM 922 OD1 ASP A 60 -3.531 -17.463 7.025 1.00 0.00 O ATOM 923 OD2 ASP A 60 -1.881 -17.701 8.458 1.00 0.00 O ATOM 0 H ASP A 60 -5.775 -13.962 8.961 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.330 -16.103 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.134 -14.946 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.482 -15.487 9.394 1.00 0.00 H new ATOM 928 N GLY A 61 -5.418 -16.143 11.489 1.00 0.00 N ATOM 929 CA GLY A 61 -5.577 -16.913 12.708 1.00 0.00 C ATOM 930 C GLY A 61 -4.714 -16.407 13.854 1.00 0.00 C ATOM 931 O GLY A 61 -4.732 -16.976 14.942 1.00 0.00 O ATOM 0 H GLY A 61 -5.914 -15.252 11.480 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.624 -16.888 13.012 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.328 -17.955 12.507 1.00 0.00 H new ATOM 935 N ARG A 62 -3.963 -15.339 13.619 1.00 0.00 N ATOM 936 CA ARG A 62 -3.143 -14.754 14.672 1.00 0.00 C ATOM 937 C ARG A 62 -3.665 -13.365 15.024 1.00 0.00 C ATOM 938 O ARG A 62 -4.094 -12.619 14.150 1.00 0.00 O ATOM 939 CB ARG A 62 -1.653 -14.721 14.259 1.00 0.00 C ATOM 940 CG ARG A 62 -1.338 -13.877 13.032 1.00 0.00 C ATOM 941 CD ARG A 62 -1.017 -12.439 13.395 1.00 0.00 C ATOM 942 NE ARG A 62 0.395 -12.260 13.741 1.00 0.00 N ATOM 943 CZ ARG A 62 0.884 -11.187 14.353 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.064 -10.285 14.850 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.195 -11.039 14.505 1.00 0.00 N ATOM 0 H ARG A 62 -3.904 -14.864 12.718 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.212 -15.377 15.563 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.068 -14.345 15.099 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.322 -15.743 14.072 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.493 -14.313 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.189 -13.897 12.351 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.270 -11.789 12.557 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.638 -12.131 14.236 1.00 0.00 H new ATOM 0 HE ARG A 62 1.045 -13.007 13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.945 -10.411 14.765 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.437 -9.460 15.320 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.833 -11.752 14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.564 -10.213 14.976 1.00 0.00 H new ATOM 959 N ARG A 63 -3.625 -13.027 16.294 1.00 0.00 N ATOM 960 CA ARG A 63 -4.176 -11.769 16.778 1.00 0.00 C ATOM 961 C ARG A 63 -3.425 -10.571 16.240 1.00 0.00 C ATOM 962 O ARG A 63 -2.210 -10.583 16.144 1.00 0.00 O ATOM 963 CB ARG A 63 -4.204 -11.737 18.312 1.00 0.00 C ATOM 964 CG ARG A 63 -5.300 -12.599 18.928 1.00 0.00 C ATOM 965 CD ARG A 63 -4.993 -14.084 18.804 1.00 0.00 C ATOM 966 NE ARG A 63 -6.074 -14.914 19.328 1.00 0.00 N ATOM 967 CZ ARG A 63 -6.083 -16.249 19.290 1.00 0.00 C ATOM 968 NH1 ARG A 63 -5.049 -16.912 18.780 1.00 0.00 N ATOM 969 NH2 ARG A 63 -7.127 -16.917 19.755 1.00 0.00 N ATOM 0 H ARG A 63 -3.212 -13.610 17.022 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.199 -11.708 16.406 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.238 -12.070 18.690 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.337 -10.707 18.642 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.417 -12.339 19.980 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.250 -12.383 18.439 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.821 -14.332 17.757 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.071 -14.309 19.340 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.874 -14.444 19.751 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.245 -16.401 18.416 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -5.060 -17.932 18.753 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.924 -16.412 20.142 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.134 -17.937 19.726 1.00 0.00 H new ATOM 983 N ILE A 64 -4.169 -9.545 15.877 1.00 0.00 N ATOM 984 CA ILE A 64 -3.585 -8.308 15.375 1.00 0.00 C ATOM 985 C ILE A 64 -3.429 -7.327 16.520 1.00 0.00 C ATOM 986 O ILE A 64 -4.414 -6.945 17.163 1.00 0.00 O ATOM 987 CB ILE A 64 -4.477 -7.672 14.276 1.00 0.00 C ATOM 988 CG1 ILE A 64 -4.657 -8.653 13.115 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.868 -6.353 13.777 1.00 0.00 C ATOM 990 CD1 ILE A 64 -5.695 -8.220 12.103 1.00 0.00 C ATOM 0 H ILE A 64 -5.188 -9.540 15.919 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.613 -8.540 14.939 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.454 -7.452 14.706 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.700 -8.781 12.608 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.938 -9.627 13.515 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.510 -5.924 13.007 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.783 -5.654 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.879 -6.544 13.360 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.765 -8.966 11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.663 -8.121 12.594 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.406 -7.261 11.673 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.201 -6.940 16.781 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.898 -6.028 17.863 1.00 0.00 C ATOM 1004 C ASN A 65 -1.452 -4.696 17.312 1.00 0.00 C ATOM 1005 O ASN A 65 -1.062 -4.592 16.152 1.00 0.00 O ATOM 1006 CB ASN A 65 -0.789 -6.598 18.749 1.00 0.00 C ATOM 1007 CG ASN A 65 -1.151 -7.932 19.355 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -1.813 -8.005 20.388 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -0.721 -8.995 18.713 1.00 0.00 N ATOM 0 H ASN A 65 -1.385 -7.247 16.251 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.802 -5.894 18.457 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.121 -6.707 18.159 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.568 -5.890 19.547 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.934 -9.927 19.069 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.174 -8.888 17.859 1.00 0.00 H new ATOM 1016 N ASP A 66 -1.518 -3.675 18.140 1.00 0.00 N ATOM 1017 CA ASP A 66 -1.057 -2.347 17.756 1.00 0.00 C ATOM 1018 C ASP A 66 0.458 -2.330 17.692 1.00 0.00 C ATOM 1019 O ASP A 66 1.059 -1.456 17.081 1.00 0.00 O ATOM 1020 CB ASP A 66 -1.539 -1.300 18.763 1.00 0.00 C ATOM 1021 CG ASP A 66 -1.043 -1.566 20.171 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -1.463 -2.579 20.772 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -0.239 -0.773 20.681 1.00 0.00 O ATOM 0 H ASP A 66 -1.887 -3.735 19.089 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.467 -2.106 16.775 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.202 -0.314 18.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.629 -1.279 18.765 1.00 0.00 H new ATOM 1028 N ASP A 67 1.060 -3.318 18.330 1.00 0.00 N ATOM 1029 CA ASP A 67 2.508 -3.449 18.382 1.00 0.00 C ATOM 1030 C ASP A 67 3.045 -4.097 17.110 1.00 0.00 C ATOM 1031 O ASP A 67 4.235 -3.986 16.794 1.00 0.00 O ATOM 1032 CB ASP A 67 2.915 -4.270 19.609 1.00 0.00 C ATOM 1033 CG ASP A 67 4.414 -4.406 19.760 1.00 0.00 C ATOM 1034 OD1 ASP A 67 5.080 -3.397 20.060 1.00 0.00 O ATOM 1035 OD2 ASP A 67 4.932 -5.532 19.598 1.00 0.00 O ATOM 0 H ASP A 67 0.559 -4.054 18.828 1.00 0.00 H new ATOM 0 HA ASP A 67 2.940 -2.451 18.460 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.506 -3.801 20.504 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.471 -5.263 19.538 1.00 0.00 H new ATOM 1040 N ASP A 68 2.172 -4.780 16.381 1.00 0.00 N ATOM 1041 CA ASP A 68 2.579 -5.447 15.162 1.00 0.00 C ATOM 1042 C ASP A 68 2.952 -4.458 14.075 1.00 0.00 C ATOM 1043 O ASP A 68 2.305 -3.425 13.898 1.00 0.00 O ATOM 1044 CB ASP A 68 1.517 -6.420 14.670 1.00 0.00 C ATOM 1045 CG ASP A 68 1.397 -7.641 15.553 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.408 -8.366 15.725 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.296 -7.907 16.063 1.00 0.00 O ATOM 0 H ASP A 68 1.185 -4.884 16.615 1.00 0.00 H new ATOM 0 HA ASP A 68 3.472 -6.024 15.404 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.554 -5.911 14.627 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.758 -6.733 13.654 1.00 0.00 H new ATOM 1052 N THR A 69 3.995 -4.791 13.353 1.00 0.00 N ATOM 1053 CA THR A 69 4.521 -3.961 12.299 1.00 0.00 C ATOM 1054 C THR A 69 4.064 -4.466 10.925 1.00 0.00 C ATOM 1055 O THR A 69 3.622 -5.613 10.796 1.00 0.00 O ATOM 1056 CB THR A 69 6.061 -3.944 12.374 1.00 0.00 C ATOM 1057 OG1 THR A 69 6.547 -5.287 12.511 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.540 -3.099 13.549 1.00 0.00 C ATOM 0 H THR A 69 4.510 -5.662 13.485 1.00 0.00 H new ATOM 0 HA THR A 69 4.141 -2.948 12.430 1.00 0.00 H new ATOM 0 HB THR A 69 6.449 -3.503 11.456 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.526 -5.278 12.557 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.630 -3.103 13.580 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.184 -2.076 13.430 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.149 -3.513 14.478 1.00 0.00 H new ATOM 1066 N PRO A 70 4.179 -3.622 9.872 1.00 0.00 N ATOM 1067 CA PRO A 70 3.753 -3.987 8.508 1.00 0.00 C ATOM 1068 C PRO A 70 4.465 -5.228 7.982 1.00 0.00 C ATOM 1069 O PRO A 70 3.915 -5.971 7.179 1.00 0.00 O ATOM 1070 CB PRO A 70 4.154 -2.759 7.665 1.00 0.00 C ATOM 1071 CG PRO A 70 5.126 -2.008 8.511 1.00 0.00 C ATOM 1072 CD PRO A 70 4.693 -2.241 9.921 1.00 0.00 C ATOM 0 HA PRO A 70 2.690 -4.227 8.473 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.605 -3.060 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.286 -2.146 7.423 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.144 -2.364 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.118 -0.945 8.269 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.522 -2.141 10.622 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.925 -1.533 10.232 1.00 0.00 H new ATOM 1080 N LYS A 71 5.681 -5.455 8.450 1.00 0.00 N ATOM 1081 CA LYS A 71 6.455 -6.599 8.029 1.00 0.00 C ATOM 1082 C LYS A 71 5.922 -7.909 8.614 1.00 0.00 C ATOM 1083 O LYS A 71 5.710 -8.868 7.887 1.00 0.00 O ATOM 1084 CB LYS A 71 7.874 -6.415 8.454 1.00 0.00 C ATOM 1085 CG LYS A 71 7.982 -5.910 9.862 1.00 0.00 C ATOM 1086 CD LYS A 71 9.331 -6.087 10.394 1.00 0.00 C ATOM 1087 CE LYS A 71 9.652 -7.562 10.567 1.00 0.00 C ATOM 1088 NZ LYS A 71 10.984 -7.776 11.182 1.00 0.00 N ATOM 0 H LYS A 71 6.152 -4.854 9.127 1.00 0.00 H new ATOM 0 HA LYS A 71 6.380 -6.666 6.944 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.403 -7.364 8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.366 -5.714 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.714 -4.854 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.268 -6.438 10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.056 -5.629 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.419 -5.576 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.887 -8.028 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.618 -8.056 9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.161 -8.796 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.717 -7.355 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.009 -7.328 12.120 1.00 0.00 H new ATOM 1102 N THR A 72 5.698 -7.939 9.936 1.00 0.00 N ATOM 1103 CA THR A 72 5.244 -9.157 10.596 1.00 0.00 C ATOM 1104 C THR A 72 3.827 -9.511 10.160 1.00 0.00 C ATOM 1105 O THR A 72 3.478 -10.687 10.029 1.00 0.00 O ATOM 1106 CB THR A 72 5.342 -9.059 12.154 1.00 0.00 C ATOM 1107 OG1 THR A 72 5.069 -10.330 12.753 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.375 -8.030 12.710 1.00 0.00 C ATOM 0 H THR A 72 5.824 -7.140 10.557 1.00 0.00 H new ATOM 0 HA THR A 72 5.913 -9.959 10.286 1.00 0.00 H new ATOM 0 HB THR A 72 6.358 -8.748 12.395 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.136 -10.253 13.728 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.471 -7.989 13.795 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.603 -7.051 12.289 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.355 -8.309 12.446 1.00 0.00 H new ATOM 1116 N LEU A 73 3.019 -8.490 9.915 1.00 0.00 N ATOM 1117 CA LEU A 73 1.666 -8.702 9.451 1.00 0.00 C ATOM 1118 C LEU A 73 1.654 -9.002 7.960 1.00 0.00 C ATOM 1119 O LEU A 73 0.723 -9.618 7.460 1.00 0.00 O ATOM 1120 CB LEU A 73 0.794 -7.480 9.744 1.00 0.00 C ATOM 1121 CG LEU A 73 0.617 -7.123 11.219 1.00 0.00 C ATOM 1122 CD1 LEU A 73 -0.190 -5.842 11.364 1.00 0.00 C ATOM 1123 CD2 LEU A 73 -0.054 -8.266 11.969 1.00 0.00 C ATOM 0 H LEU A 73 3.281 -7.511 10.031 1.00 0.00 H new ATOM 0 HA LEU A 73 1.257 -9.559 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.224 -6.620 9.231 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.192 -7.649 9.311 1.00 0.00 H new ATOM 0 HG LEU A 73 1.603 -6.959 11.654 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.306 -5.603 12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.330 -5.026 10.862 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.173 -5.978 10.913 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.172 -7.994 13.018 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.034 -8.462 11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.562 -9.162 11.894 1.00 0.00 H new ATOM 1135 N GLU A 74 2.726 -8.563 7.268 1.00 0.00 N ATOM 1136 CA GLU A 74 2.911 -8.728 5.802 1.00 0.00 C ATOM 1137 C GLU A 74 1.602 -8.602 4.989 1.00 0.00 C ATOM 1138 O GLU A 74 1.418 -9.280 3.969 1.00 0.00 O ATOM 1139 CB GLU A 74 3.654 -10.039 5.473 1.00 0.00 C ATOM 1140 CG GLU A 74 3.067 -11.295 6.095 1.00 0.00 C ATOM 1141 CD GLU A 74 3.901 -12.518 5.798 1.00 0.00 C ATOM 1142 OE1 GLU A 74 3.869 -12.998 4.643 1.00 0.00 O ATOM 1143 OE2 GLU A 74 4.597 -13.009 6.714 1.00 0.00 O ATOM 0 H GLU A 74 3.503 -8.075 7.715 1.00 0.00 H new ATOM 0 HA GLU A 74 3.534 -7.891 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.672 -10.165 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.689 -9.942 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.990 -11.163 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.055 -11.447 5.719 1.00 0.00 H new ATOM 1150 N MET A 75 0.722 -7.706 5.423 1.00 0.00 N ATOM 1151 CA MET A 75 -0.547 -7.483 4.747 1.00 0.00 C ATOM 1152 C MET A 75 -0.336 -6.691 3.470 1.00 0.00 C ATOM 1153 O MET A 75 0.606 -5.902 3.366 1.00 0.00 O ATOM 1154 CB MET A 75 -1.521 -6.739 5.657 1.00 0.00 C ATOM 1155 CG MET A 75 -1.854 -7.479 6.935 1.00 0.00 C ATOM 1156 SD MET A 75 -2.968 -6.549 8.005 1.00 0.00 S ATOM 1157 CE MET A 75 -3.122 -7.664 9.391 1.00 0.00 C ATOM 0 H MET A 75 0.868 -7.120 6.245 1.00 0.00 H new ATOM 0 HA MET A 75 -0.971 -8.456 4.498 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.096 -5.768 5.911 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.443 -6.549 5.108 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.310 -8.437 6.687 1.00 0.00 H new ATOM 0 HG3 MET A 75 -0.933 -7.695 7.476 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.028 -7.104 10.321 1.00 0.00 H new ATOM 0 HE2 MET A 75 -4.096 -8.152 9.359 1.00 0.00 H new ATOM 0 HE3 MET A 75 -2.336 -8.418 9.341 1.00 0.00 H new ATOM 1167 N GLU A 76 -1.209 -6.895 2.509 1.00 0.00 N ATOM 1168 CA GLU A 76 -1.109 -6.227 1.242 1.00 0.00 C ATOM 1169 C GLU A 76 -2.492 -5.991 0.676 1.00 0.00 C ATOM 1170 O GLU A 76 -3.491 -6.285 1.336 1.00 0.00 O ATOM 1171 CB GLU A 76 -0.218 -7.012 0.276 1.00 0.00 C ATOM 1172 CG GLU A 76 -0.618 -8.458 0.080 1.00 0.00 C ATOM 1173 CD GLU A 76 0.418 -9.226 -0.706 1.00 0.00 C ATOM 1174 OE1 GLU A 76 1.304 -9.851 -0.080 1.00 0.00 O ATOM 1175 OE2 GLU A 76 0.369 -9.204 -1.953 1.00 0.00 O ATOM 0 H GLU A 76 -2.005 -7.528 2.589 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.635 -5.256 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.227 -6.512 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.808 -6.979 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.760 -8.930 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.575 -8.503 -0.440 1.00 0.00 H new ATOM 1182 N ASP A 77 -2.552 -5.451 -0.519 1.00 0.00 N ATOM 1183 CA ASP A 77 -3.816 -5.077 -1.121 1.00 0.00 C ATOM 1184 C ASP A 77 -4.787 -6.253 -1.287 1.00 0.00 C ATOM 1185 O ASP A 77 -4.475 -7.273 -1.898 1.00 0.00 O ATOM 1186 CB ASP A 77 -3.607 -4.340 -2.450 1.00 0.00 C ATOM 1187 CG ASP A 77 -3.137 -5.239 -3.573 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -2.002 -5.756 -3.491 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -3.894 -5.411 -4.554 1.00 0.00 O ATOM 0 H ASP A 77 -1.735 -5.259 -1.099 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.289 -4.392 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.543 -3.865 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.877 -3.544 -2.304 1.00 0.00 H new ATOM 1194 N ASP A 78 -5.946 -6.076 -0.670 1.00 0.00 N ATOM 1195 CA ASP A 78 -7.095 -6.992 -0.740 1.00 0.00 C ATOM 1196 C ASP A 78 -6.827 -8.286 0.021 1.00 0.00 C ATOM 1197 O ASP A 78 -7.331 -9.355 -0.335 1.00 0.00 O ATOM 1198 CB ASP A 78 -7.481 -7.274 -2.199 1.00 0.00 C ATOM 1199 CG ASP A 78 -8.816 -7.986 -2.374 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -9.863 -7.377 -2.085 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -8.824 -9.147 -2.850 1.00 0.00 O ATOM 0 H ASP A 78 -6.128 -5.262 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.940 -6.501 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.514 -6.329 -2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.699 -7.878 -2.658 1.00 0.00 H new ATOM 1206 N ASP A 79 -6.050 -8.190 1.097 1.00 0.00 N ATOM 1207 CA ASP A 79 -5.817 -9.355 1.927 1.00 0.00 C ATOM 1208 C ASP A 79 -7.018 -9.562 2.827 1.00 0.00 C ATOM 1209 O ASP A 79 -7.961 -8.771 2.805 1.00 0.00 O ATOM 1210 CB ASP A 79 -4.542 -9.249 2.751 1.00 0.00 C ATOM 1211 CG ASP A 79 -3.900 -10.611 2.964 1.00 0.00 C ATOM 1212 OD1 ASP A 79 -2.883 -10.903 2.302 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -4.421 -11.406 3.773 1.00 0.00 O ATOM 0 H ASP A 79 -5.584 -7.337 1.405 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.682 -10.215 1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.836 -8.588 2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.768 -8.797 3.717 1.00 0.00 H new ATOM 1218 N VAL A 80 -6.993 -10.592 3.614 1.00 0.00 N ATOM 1219 CA VAL A 80 -8.138 -10.939 4.409 1.00 0.00 C ATOM 1220 C VAL A 80 -7.867 -10.812 5.897 1.00 0.00 C ATOM 1221 O VAL A 80 -6.741 -10.975 6.368 1.00 0.00 O ATOM 1222 CB VAL A 80 -8.607 -12.372 4.100 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -9.047 -12.478 2.650 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -7.495 -13.364 4.391 1.00 0.00 C ATOM 0 H VAL A 80 -6.191 -11.212 3.726 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.923 -10.230 4.144 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.457 -12.609 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.377 -13.496 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.870 -11.786 2.468 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.211 -12.228 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.840 -14.373 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.629 -13.132 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.216 -13.300 5.443 1.00 0.00 H new ATOM 1234 N ILE A 81 -8.914 -10.516 6.615 1.00 0.00 N ATOM 1235 CA ILE A 81 -8.876 -10.372 8.040 1.00 0.00 C ATOM 1236 C ILE A 81 -10.042 -11.108 8.662 1.00 0.00 C ATOM 1237 O ILE A 81 -11.173 -11.021 8.183 1.00 0.00 O ATOM 1238 CB ILE A 81 -8.859 -8.874 8.471 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -7.412 -8.385 8.647 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -9.694 -8.611 9.711 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -7.299 -6.957 9.149 1.00 0.00 C ATOM 0 H ILE A 81 -9.839 -10.365 6.214 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.948 -10.813 8.402 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.324 -8.299 7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.898 -9.046 9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.894 -8.465 7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.645 -7.552 9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.730 -8.891 9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.307 -9.201 10.542 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.247 -6.688 9.247 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.782 -6.283 8.441 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.787 -6.873 10.120 1.00 0.00 H new ATOM 1253 N GLU A 82 -9.757 -11.837 9.707 1.00 0.00 N ATOM 1254 CA GLU A 82 -10.755 -12.621 10.385 1.00 0.00 C ATOM 1255 C GLU A 82 -11.208 -11.939 11.643 1.00 0.00 C ATOM 1256 O GLU A 82 -10.409 -11.355 12.371 1.00 0.00 O ATOM 1257 CB GLU A 82 -10.196 -13.989 10.720 1.00 0.00 C ATOM 1258 CG GLU A 82 -9.939 -14.856 9.506 1.00 0.00 C ATOM 1259 CD GLU A 82 -11.225 -15.289 8.844 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -12.235 -15.472 9.566 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -11.238 -15.470 7.610 1.00 0.00 O ATOM 0 H GLU A 82 -8.824 -11.905 10.114 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.613 -12.730 9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.264 -13.866 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.892 -14.504 11.382 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.328 -14.306 8.790 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.368 -15.736 9.802 1.00 0.00 H new ATOM 1268 N VAL A 83 -12.475 -12.003 11.886 1.00 0.00 N ATOM 1269 CA VAL A 83 -13.047 -11.451 13.082 1.00 0.00 C ATOM 1270 C VAL A 83 -13.770 -12.530 13.838 1.00 0.00 C ATOM 1271 O VAL A 83 -14.545 -13.284 13.262 1.00 0.00 O ATOM 1272 CB VAL A 83 -14.022 -10.296 12.782 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -14.687 -9.798 14.053 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -13.297 -9.166 12.109 1.00 0.00 C ATOM 0 H VAL A 83 -13.152 -12.441 11.261 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.230 -11.048 13.681 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.797 -10.674 12.115 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.370 -8.983 13.811 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.244 -10.613 14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.925 -9.440 14.746 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.997 -8.356 11.902 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.504 -8.802 12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.863 -9.518 11.173 1.00 0.00 H new ATOM 1284 N TYR A 84 -13.493 -12.616 15.106 1.00 0.00 N ATOM 1285 CA TYR A 84 -14.129 -13.573 15.960 1.00 0.00 C ATOM 1286 C TYR A 84 -15.247 -12.903 16.722 1.00 0.00 C ATOM 1287 O TYR A 84 -15.330 -11.670 16.746 1.00 0.00 O ATOM 1288 CB TYR A 84 -13.105 -14.223 16.884 1.00 0.00 C ATOM 1289 CG TYR A 84 -12.196 -15.190 16.151 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -11.099 -14.738 15.427 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -12.446 -16.553 16.172 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -10.284 -15.619 14.745 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -11.631 -17.438 15.497 1.00 0.00 C ATOM 1294 CZ TYR A 84 -10.553 -16.966 14.785 1.00 0.00 C ATOM 1295 OH TYR A 84 -9.744 -17.848 14.098 1.00 0.00 O ATOM 0 H TYR A 84 -12.814 -12.019 15.579 1.00 0.00 H new ATOM 0 HA TYR A 84 -14.566 -14.372 15.361 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -12.501 -13.447 17.355 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -13.625 -14.752 17.683 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.881 -13.681 15.398 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.293 -16.929 16.726 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.439 -15.251 14.182 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.839 -18.497 15.528 1.00 0.00 H new ATOM 0 HH TYR A 84 -10.070 -18.762 14.231 1.00 0.00 H new ATOM 1305 N GLN A 85 -16.094 -13.688 17.354 1.00 0.00 N ATOM 1306 CA GLN A 85 -17.279 -13.149 17.985 1.00 0.00 C ATOM 1307 C GLN A 85 -16.904 -12.266 19.168 1.00 0.00 C ATOM 1308 O GLN A 85 -16.020 -12.592 19.960 1.00 0.00 O ATOM 1309 CB GLN A 85 -18.229 -14.272 18.390 1.00 0.00 C ATOM 1310 CG GLN A 85 -19.589 -13.782 18.837 1.00 0.00 C ATOM 1311 CD GLN A 85 -20.579 -14.906 19.024 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -20.215 -16.027 19.379 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -21.832 -14.627 18.758 1.00 0.00 N ATOM 0 H GLN A 85 -15.984 -14.698 17.444 1.00 0.00 H new ATOM 0 HA GLN A 85 -17.805 -12.521 17.266 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.356 -14.951 17.547 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.776 -14.847 19.197 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -19.484 -13.236 19.774 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -19.978 -13.079 18.100 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -22.094 -13.685 18.466 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -22.545 -15.352 18.843 1.00 0.00 H new ATOM 1322 N GLU A 86 -17.580 -11.145 19.259 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.253 -10.104 20.198 1.00 0.00 C ATOM 1324 C GLU A 86 -17.849 -10.342 21.581 1.00 0.00 C ATOM 1325 O GLU A 86 -18.846 -11.048 21.736 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.691 -8.745 19.645 1.00 0.00 C ATOM 1327 CG GLU A 86 -19.159 -8.669 19.249 1.00 0.00 C ATOM 1328 CD GLU A 86 -19.470 -9.311 17.900 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -19.684 -10.540 17.854 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -19.509 -8.592 16.894 1.00 0.00 O ATOM 0 H GLU A 86 -18.386 -10.929 18.672 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.171 -10.114 20.325 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.490 -7.980 20.395 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.080 -8.507 18.774 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.758 -9.156 20.019 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.464 -7.623 19.221 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.218 -9.729 22.574 1.00 0.00 N ATOM 1338 CA GLN A 87 -17.604 -9.869 23.977 1.00 0.00 C ATOM 1339 C GLN A 87 -18.976 -9.263 24.277 1.00 0.00 C ATOM 1340 O GLN A 87 -19.778 -9.850 24.997 1.00 0.00 O ATOM 1341 CB GLN A 87 -16.531 -9.229 24.855 1.00 0.00 C ATOM 1342 CG GLN A 87 -16.800 -9.286 26.340 1.00 0.00 C ATOM 1343 CD GLN A 87 -15.653 -8.716 27.143 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -14.933 -7.829 26.675 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -15.472 -9.216 28.346 1.00 0.00 N ATOM 0 H GLN A 87 -16.417 -9.115 22.430 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.685 -10.933 24.197 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.579 -9.721 24.655 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -16.419 -8.185 24.562 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.711 -8.732 26.565 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.973 -10.320 26.638 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.092 -9.948 28.692 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.712 -8.871 28.933 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.239 -8.089 23.729 1.00 0.00 N ATOM 1355 CA LEU A 88 -20.502 -7.405 23.985 1.00 0.00 C ATOM 1356 C LEU A 88 -21.567 -7.751 22.955 1.00 0.00 C ATOM 1357 O LEU A 88 -22.748 -7.482 23.172 1.00 0.00 O ATOM 1358 CB LEU A 88 -20.307 -5.882 24.077 1.00 0.00 C ATOM 1359 CG LEU A 88 -19.877 -5.320 25.453 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -20.935 -5.593 26.508 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -18.543 -5.887 25.891 1.00 0.00 C ATOM 0 H LEU A 88 -18.602 -7.590 23.108 1.00 0.00 H new ATOM 0 HA LEU A 88 -20.858 -7.763 24.951 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -19.559 -5.589 23.341 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -21.242 -5.401 23.790 1.00 0.00 H new ATOM 0 HG LEU A 88 -19.767 -4.241 25.342 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -20.607 -5.188 27.465 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -21.872 -5.119 26.215 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -21.086 -6.668 26.602 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -18.272 -5.471 26.861 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.617 -6.972 25.969 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -17.779 -5.627 25.158 1.00 0.00 H new ATOM 1373 N GLY A 89 -21.153 -8.329 21.833 1.00 0.00 N ATOM 1374 CA GLY A 89 -22.115 -8.718 20.809 1.00 0.00 C ATOM 1375 C GLY A 89 -23.078 -9.762 21.318 1.00 0.00 C ATOM 1376 O GLY A 89 -24.278 -9.700 21.044 1.00 0.00 O ATOM 0 H GLY A 89 -20.179 -8.535 21.612 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -22.671 -7.840 20.479 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -21.584 -9.105 19.939 1.00 0.00 H new ATOM 1380 N GLY A 90 -22.550 -10.720 22.055 1.00 0.00 N ATOM 1381 CA GLY A 90 -23.371 -11.736 22.659 1.00 0.00 C ATOM 1382 C GLY A 90 -22.529 -12.783 23.324 1.00 0.00 C ATOM 1383 O GLY A 90 -23.009 -13.914 23.525 1.00 0.00 O ATOM 1384 OXT GLY A 90 -21.360 -12.489 23.622 1.00 0.00 O ATOM 0 H GLY A 90 -21.552 -10.811 22.247 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -24.038 -11.281 23.392 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -24.000 -12.199 21.899 1.00 0.00 H new TER 1388 GLY A 90