USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1145 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 7 LYS NZ :NH3+ -166:sc= 2.67 (180deg=1.89) USER MOD Set 1.2: A 121 GLN : amide:sc= -5.16! C(o=-2.5!,f=-6.8!) USER MOD Set 2.1: A 102 LYS NZ :NH3+ -166:sc=-0.00154 (180deg=-0.127) USER MOD Set 2.2: A 113 MET CE :methyl -168:sc= -5.72! (180deg=-6.37!) USER MOD Set 3.1: A 78 SER OG : rot 120:sc= 0.832 USER MOD Set 3.2: A 80 LYS NZ :NH3+ 145:sc= 0.919 (180deg=-0.33) USER MOD Set 4.1: A 71 TYR OH : rot 180:sc= 0.0613 USER MOD Set 4.2: A 83 CYS SG : rot -115:sc= -2.59! USER MOD Single : A 1 VAL N :NH3+ -173:sc= 0.186 (180deg=0.13) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -100:sc= 0 USER MOD Single : A 11 SER OG : rot -83:sc= 1.41 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 GLN : amide:sc= -0.925 K(o=-0.92,f=-7.4!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0208 (180deg=-0.175) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00943 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 174:sc= 1.29 (180deg=1.08) USER MOD Single : A 39 HIS : no HD1:sc= -0.0778 X(o=-0.078,f=-0.067) USER MOD Single : A 40 MET CE :methyl 141:sc= -1.39 (180deg=-2.24!) USER MOD Single : A 43 MET CE :methyl 161:sc=-0.00395 (180deg=-0.475) USER MOD Single : A 51 TYR OH : rot 13:sc= -0.234 USER MOD Single : A 52 TYR OH : rot 0:sc= -0.138 USER MOD Single : A 53 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-3.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 55 ASN : amide:sc= 0.648 K(o=0.65,f=-0.76) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -35:sc= 0.0566 USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= 0.135 (180deg=0.015) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= -0.125 (180deg=-0.544) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00273 USER MOD Single : A 110 MET CE :methyl -172:sc= -0.0173 (180deg=-0.186) USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= 1.3 (180deg=1.03) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -39:sc= 0.508 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot -84:sc= 0.967 USER MOD Single : A 129 LYS NZ :NH3+ 161:sc= -0.915! (180deg=-2.5!) USER MOD Single : A 132 CYS SG : rot 70:sc= 1.16 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl 145:sc= -0.131 (180deg=-1.68) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 141 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 142 HIS : no HD1:sc= -0.847 K(o=-0.85,f=-3.6!) USER MOD Single : A 143 HIS : no HE2:sc= 0.551 K(o=0.55,f=-1.9!) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 145 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 118.618 3.792 -12.948 1.00 0.00 N ATOM 2 CA VAL A 1 119.247 4.115 -11.650 1.00 0.00 C ATOM 3 C VAL A 1 118.431 5.171 -10.914 1.00 0.00 C ATOM 4 O VAL A 1 118.692 6.373 -11.015 1.00 0.00 O ATOM 5 CB VAL A 1 120.708 4.598 -11.810 1.00 0.00 C ATOM 6 CG1 VAL A 1 121.326 4.915 -10.453 1.00 0.00 C ATOM 7 CG2 VAL A 1 121.539 3.550 -12.530 1.00 0.00 C ATOM 0 H1 VAL A 1 119.115 2.990 -13.385 1.00 0.00 H new ATOM 0 H2 VAL A 1 117.620 3.540 -12.797 1.00 0.00 H new ATOM 0 H3 VAL A 1 118.675 4.618 -13.577 1.00 0.00 H new ATOM 0 HA VAL A 1 119.266 3.195 -11.066 1.00 0.00 H new ATOM 0 HB VAL A 1 120.699 5.510 -12.407 1.00 0.00 H new ATOM 0 HG11 VAL A 1 122.353 5.253 -10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 1 120.749 5.700 -9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 1 121.319 4.019 -9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 1 122.564 3.907 -12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 1 121.534 2.624 -11.956 1.00 0.00 H new ATOM 0 HG23 VAL A 1 121.117 3.367 -13.518 1.00 0.00 H new ATOM 19 N ALA A 2 117.398 4.711 -10.237 1.00 0.00 N ATOM 20 CA ALA A 2 116.612 5.547 -9.354 1.00 0.00 C ATOM 21 C ALA A 2 116.714 4.993 -7.943 1.00 0.00 C ATOM 22 O ALA A 2 117.231 3.891 -7.746 1.00 0.00 O ATOM 23 CB ALA A 2 115.162 5.605 -9.816 1.00 0.00 C ATOM 0 H ALA A 2 117.080 3.743 -10.284 1.00 0.00 H new ATOM 0 HA ALA A 2 116.998 6.566 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 2 114.589 6.238 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 2 115.117 6.018 -10.824 1.00 0.00 H new ATOM 0 HB3 ALA A 2 114.740 4.600 -9.817 1.00 0.00 H new ATOM 29 N TYR A 3 116.245 5.743 -6.964 1.00 0.00 N ATOM 30 CA TYR A 3 116.351 5.312 -5.584 1.00 0.00 C ATOM 31 C TYR A 3 114.975 5.236 -4.946 1.00 0.00 C ATOM 32 O TYR A 3 114.125 6.098 -5.169 1.00 0.00 O ATOM 33 CB TYR A 3 117.282 6.246 -4.810 1.00 0.00 C ATOM 34 CG TYR A 3 118.672 6.319 -5.408 1.00 0.00 C ATOM 35 CD1 TYR A 3 119.374 5.160 -5.721 1.00 0.00 C ATOM 36 CD2 TYR A 3 119.278 7.541 -5.666 1.00 0.00 C ATOM 37 CE1 TYR A 3 120.639 5.218 -6.277 1.00 0.00 C ATOM 38 CE2 TYR A 3 120.544 7.608 -6.220 1.00 0.00 C ATOM 39 CZ TYR A 3 121.220 6.444 -6.521 1.00 0.00 C ATOM 40 OH TYR A 3 122.483 6.501 -7.072 1.00 0.00 O ATOM 0 H TYR A 3 115.791 6.646 -7.097 1.00 0.00 H new ATOM 0 HA TYR A 3 116.783 4.312 -5.554 1.00 0.00 H new ATOM 0 HB2 TYR A 3 116.849 7.246 -4.787 1.00 0.00 H new ATOM 0 HB3 TYR A 3 117.354 5.906 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 3 118.923 4.198 -5.527 1.00 0.00 H new ATOM 0 HD2 TYR A 3 118.752 8.455 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 3 121.168 4.308 -6.519 1.00 0.00 H new ATOM 0 HE2 TYR A 3 121.001 8.567 -6.416 1.00 0.00 H new ATOM 0 HH TYR A 3 122.750 7.438 -7.182 1.00 0.00 H new ATOM 50 N TRP A 4 114.750 4.181 -4.181 1.00 0.00 N ATOM 51 CA TRP A 4 113.438 3.916 -3.611 1.00 0.00 C ATOM 52 C TRP A 4 113.562 3.533 -2.140 1.00 0.00 C ATOM 53 O TRP A 4 114.652 3.563 -1.568 1.00 0.00 O ATOM 54 CB TRP A 4 112.750 2.779 -4.384 1.00 0.00 C ATOM 55 CG TRP A 4 112.744 2.972 -5.873 1.00 0.00 C ATOM 56 CD1 TRP A 4 113.600 2.405 -6.777 1.00 0.00 C ATOM 57 CD2 TRP A 4 111.846 3.789 -6.630 1.00 0.00 C ATOM 58 NE1 TRP A 4 113.286 2.820 -8.050 1.00 0.00 N ATOM 59 CE2 TRP A 4 112.214 3.670 -7.985 1.00 0.00 C ATOM 60 CE3 TRP A 4 110.765 4.610 -6.296 1.00 0.00 C ATOM 61 CZ2 TRP A 4 111.539 4.341 -9.000 1.00 0.00 C ATOM 62 CZ3 TRP A 4 110.098 5.274 -7.305 1.00 0.00 C ATOM 63 CH2 TRP A 4 110.486 5.137 -8.643 1.00 0.00 C ATOM 0 H TRP A 4 115.461 3.491 -3.939 1.00 0.00 H new ATOM 0 HA TRP A 4 112.838 4.822 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 4 113.251 1.839 -4.151 1.00 0.00 H new ATOM 0 HB3 TRP A 4 111.721 2.686 -4.035 1.00 0.00 H new ATOM 0 HD1 TRP A 4 114.405 1.730 -6.527 1.00 0.00 H new ATOM 0 HE1 TRP A 4 113.772 2.541 -8.902 1.00 0.00 H new ATOM 0 HE3 TRP A 4 110.457 4.723 -5.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 111.836 4.237 -10.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 109.261 5.911 -7.058 1.00 0.00 H new ATOM 0 HH2 TRP A 4 109.943 5.671 -9.409 1.00 0.00 H new ATOM 74 N LEU A 5 112.444 3.175 -1.533 1.00 0.00 N ATOM 75 CA LEU A 5 112.431 2.708 -0.157 1.00 0.00 C ATOM 76 C LEU A 5 111.311 1.689 0.021 1.00 0.00 C ATOM 77 O LEU A 5 110.155 1.969 -0.300 1.00 0.00 O ATOM 78 CB LEU A 5 112.254 3.896 0.803 1.00 0.00 C ATOM 79 CG LEU A 5 112.528 3.614 2.287 1.00 0.00 C ATOM 80 CD1 LEU A 5 112.870 4.904 3.013 1.00 0.00 C ATOM 81 CD2 LEU A 5 111.325 2.956 2.952 1.00 0.00 C ATOM 0 H LEU A 5 111.525 3.199 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 5 113.381 2.227 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 5 112.915 4.700 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 5 111.233 4.265 0.707 1.00 0.00 H new ATOM 0 HG LEU A 5 113.374 2.929 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 5 113.062 4.690 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 5 113.759 5.349 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 5 112.035 5.600 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 5 111.548 2.768 4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 5 110.461 3.617 2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 5 111.105 2.012 2.453 1.00 0.00 H new ATOM 93 N VAL A 6 111.666 0.508 0.515 1.00 0.00 N ATOM 94 CA VAL A 6 110.703 -0.569 0.712 1.00 0.00 C ATOM 95 C VAL A 6 110.530 -0.873 2.199 1.00 0.00 C ATOM 96 O VAL A 6 111.503 -0.914 2.956 1.00 0.00 O ATOM 97 CB VAL A 6 111.123 -1.857 -0.039 1.00 0.00 C ATOM 98 CG1 VAL A 6 111.074 -1.631 -1.543 1.00 0.00 C ATOM 99 CG2 VAL A 6 112.514 -2.317 0.389 1.00 0.00 C ATOM 0 H VAL A 6 112.620 0.272 0.788 1.00 0.00 H new ATOM 0 HA VAL A 6 109.752 -0.230 0.301 1.00 0.00 H new ATOM 0 HB VAL A 6 110.417 -2.646 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 6 111.372 -2.544 -2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 6 110.060 -1.362 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 6 111.756 -0.824 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 6 112.781 -3.223 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 6 113.240 -1.534 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 6 112.516 -2.523 1.459 1.00 0.00 H new ATOM 109 N LYS A 7 109.288 -1.067 2.611 1.00 0.00 N ATOM 110 CA LYS A 7 108.976 -1.342 4.005 1.00 0.00 C ATOM 111 C LYS A 7 108.568 -2.795 4.190 1.00 0.00 C ATOM 112 O LYS A 7 107.571 -3.250 3.627 1.00 0.00 O ATOM 113 CB LYS A 7 107.866 -0.411 4.492 1.00 0.00 C ATOM 114 CG LYS A 7 108.285 1.046 4.522 1.00 0.00 C ATOM 115 CD LYS A 7 107.111 1.968 4.786 1.00 0.00 C ATOM 116 CE LYS A 7 107.562 3.416 4.845 1.00 0.00 C ATOM 117 NZ LYS A 7 106.417 4.358 4.792 1.00 0.00 N ATOM 0 H LYS A 7 108.475 -1.039 1.996 1.00 0.00 H new ATOM 0 HA LYS A 7 109.871 -1.161 4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 7 106.997 -0.520 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 7 107.557 -0.715 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 7 109.040 1.190 5.294 1.00 0.00 H new ATOM 0 HG3 LYS A 7 108.747 1.310 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 7 106.365 1.847 4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 7 106.632 1.694 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 7 108.126 3.583 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 7 108.237 3.619 4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.766 5.318 4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 105.763 4.067 4.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.918 4.350 5.705 1.00 0.00 H new ATOM 131 N SER A 8 109.351 -3.517 4.971 1.00 0.00 N ATOM 132 CA SER A 8 109.092 -4.919 5.231 1.00 0.00 C ATOM 133 C SER A 8 109.365 -5.237 6.695 1.00 0.00 C ATOM 134 O SER A 8 110.395 -4.841 7.240 1.00 0.00 O ATOM 135 CB SER A 8 109.968 -5.787 4.321 1.00 0.00 C ATOM 136 OG SER A 8 109.716 -7.167 4.516 1.00 0.00 O ATOM 0 H SER A 8 110.179 -3.150 5.440 1.00 0.00 H new ATOM 0 HA SER A 8 108.045 -5.136 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 8 109.782 -5.526 3.279 1.00 0.00 H new ATOM 0 HB3 SER A 8 111.019 -5.577 4.519 1.00 0.00 H new ATOM 0 HG SER A 8 110.411 -7.548 5.092 1.00 0.00 H new ATOM 142 N GLU A 9 108.431 -5.927 7.335 1.00 0.00 N ATOM 143 CA GLU A 9 108.595 -6.328 8.725 1.00 0.00 C ATOM 144 C GLU A 9 109.632 -7.437 8.834 1.00 0.00 C ATOM 145 O GLU A 9 109.681 -8.324 7.986 1.00 0.00 O ATOM 146 CB GLU A 9 107.272 -6.829 9.305 1.00 0.00 C ATOM 147 CG GLU A 9 106.186 -5.774 9.391 1.00 0.00 C ATOM 148 CD GLU A 9 104.891 -6.338 9.932 1.00 0.00 C ATOM 149 OE1 GLU A 9 104.865 -6.757 11.107 1.00 0.00 O ATOM 150 OE2 GLU A 9 103.890 -6.359 9.188 1.00 0.00 O ATOM 0 H GLU A 9 107.550 -6.221 6.913 1.00 0.00 H new ATOM 0 HA GLU A 9 108.927 -5.455 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 9 106.911 -7.656 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 9 107.455 -7.227 10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 9 106.522 -4.959 10.032 1.00 0.00 H new ATOM 0 HG3 GLU A 9 106.012 -5.351 8.402 1.00 0.00 H new ATOM 157 N PRO A 10 110.470 -7.410 9.883 1.00 0.00 N ATOM 158 CA PRO A 10 111.434 -8.484 10.146 1.00 0.00 C ATOM 159 C PRO A 10 110.711 -9.785 10.454 1.00 0.00 C ATOM 160 O PRO A 10 111.235 -10.877 10.230 1.00 0.00 O ATOM 161 CB PRO A 10 112.211 -7.990 11.368 1.00 0.00 C ATOM 162 CG PRO A 10 111.323 -6.982 12.011 1.00 0.00 C ATOM 163 CD PRO A 10 110.538 -6.346 10.897 1.00 0.00 C ATOM 0 HA PRO A 10 112.082 -8.690 9.294 1.00 0.00 H new ATOM 0 HB2 PRO A 10 112.435 -8.810 12.050 1.00 0.00 H new ATOM 0 HB3 PRO A 10 113.164 -7.548 11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 10 110.659 -7.453 12.736 1.00 0.00 H new ATOM 0 HG3 PRO A 10 111.907 -6.237 12.551 1.00 0.00 H new ATOM 0 HD2 PRO A 10 109.545 -6.041 11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 10 111.034 -5.455 10.513 1.00 0.00 H new ATOM 171 N SER A 11 109.492 -9.642 10.954 1.00 0.00 N ATOM 172 CA SER A 11 108.618 -10.765 11.218 1.00 0.00 C ATOM 173 C SER A 11 108.305 -11.494 9.916 1.00 0.00 C ATOM 174 O SER A 11 108.208 -12.719 9.882 1.00 0.00 O ATOM 175 CB SER A 11 107.333 -10.243 11.851 1.00 0.00 C ATOM 176 OG SER A 11 107.544 -8.950 12.402 1.00 0.00 O ATOM 0 H SER A 11 109.084 -8.737 11.188 1.00 0.00 H new ATOM 0 HA SER A 11 109.104 -11.465 11.897 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.542 -10.202 11.103 1.00 0.00 H new ATOM 0 HB3 SER A 11 106.999 -10.928 12.631 1.00 0.00 H new ATOM 0 HG SER A 11 107.944 -9.035 13.293 1.00 0.00 H new ATOM 182 N VAL A 12 108.171 -10.720 8.845 1.00 0.00 N ATOM 183 CA VAL A 12 107.882 -11.265 7.528 1.00 0.00 C ATOM 184 C VAL A 12 109.176 -11.677 6.833 1.00 0.00 C ATOM 185 O VAL A 12 109.410 -12.861 6.587 1.00 0.00 O ATOM 186 CB VAL A 12 107.131 -10.239 6.646 1.00 0.00 C ATOM 187 CG1 VAL A 12 106.763 -10.844 5.298 1.00 0.00 C ATOM 188 CG2 VAL A 12 105.892 -9.717 7.361 1.00 0.00 C ATOM 0 H VAL A 12 108.259 -9.704 8.866 1.00 0.00 H new ATOM 0 HA VAL A 12 107.243 -12.138 7.664 1.00 0.00 H new ATOM 0 HB VAL A 12 107.800 -9.397 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 12 106.236 -10.102 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 12 107.670 -11.154 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 12 106.119 -11.710 5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 12 105.380 -8.997 6.723 1.00 0.00 H new ATOM 0 HG22 VAL A 12 105.222 -10.548 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 12 106.186 -9.232 8.292 1.00 0.00 H new ATOM 198 N TRP A 13 110.023 -10.699 6.549 1.00 0.00 N ATOM 199 CA TRP A 13 111.273 -10.954 5.855 1.00 0.00 C ATOM 200 C TRP A 13 112.411 -10.198 6.538 1.00 0.00 C ATOM 201 O TRP A 13 112.305 -8.997 6.809 1.00 0.00 O ATOM 202 CB TRP A 13 111.150 -10.535 4.389 1.00 0.00 C ATOM 203 CG TRP A 13 112.159 -11.186 3.495 1.00 0.00 C ATOM 204 CD1 TRP A 13 113.385 -10.702 3.150 1.00 0.00 C ATOM 205 CD2 TRP A 13 112.019 -12.444 2.826 1.00 0.00 C ATOM 206 NE1 TRP A 13 114.021 -11.585 2.313 1.00 0.00 N ATOM 207 CE2 TRP A 13 113.202 -12.660 2.097 1.00 0.00 C ATOM 208 CE3 TRP A 13 111.008 -13.410 2.772 1.00 0.00 C ATOM 209 CZ2 TRP A 13 113.404 -13.801 1.326 1.00 0.00 C ATOM 210 CZ3 TRP A 13 111.210 -14.544 2.006 1.00 0.00 C ATOM 211 CH2 TRP A 13 112.400 -14.730 1.292 1.00 0.00 C ATOM 0 H TRP A 13 109.866 -9.720 6.790 1.00 0.00 H new ATOM 0 HA TRP A 13 111.494 -12.021 5.893 1.00 0.00 H new ATOM 0 HB2 TRP A 13 110.149 -10.779 4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 13 111.258 -9.453 4.318 1.00 0.00 H new ATOM 0 HD1 TRP A 13 113.796 -9.762 3.486 1.00 0.00 H new ATOM 0 HE1 TRP A 13 114.952 -11.460 1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 13 110.087 -13.273 3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 114.321 -13.948 0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 110.438 -15.298 1.958 1.00 0.00 H new ATOM 0 HH2 TRP A 13 112.528 -15.626 0.702 1.00 0.00 H new ATOM 222 N SER A 14 113.493 -10.897 6.827 1.00 0.00 N ATOM 223 CA SER A 14 114.602 -10.300 7.549 1.00 0.00 C ATOM 224 C SER A 14 115.746 -9.955 6.596 1.00 0.00 C ATOM 225 O SER A 14 115.845 -10.508 5.500 1.00 0.00 O ATOM 226 CB SER A 14 115.073 -11.244 8.658 1.00 0.00 C ATOM 227 OG SER A 14 116.017 -10.611 9.500 1.00 0.00 O ATOM 0 H SER A 14 113.628 -11.876 6.574 1.00 0.00 H new ATOM 0 HA SER A 14 114.264 -9.371 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 14 114.217 -11.572 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 14 115.516 -12.136 8.216 1.00 0.00 H new ATOM 0 HG SER A 14 116.300 -11.235 10.201 1.00 0.00 H new ATOM 233 N TRP A 15 116.611 -9.044 7.032 1.00 0.00 N ATOM 234 CA TRP A 15 117.706 -8.554 6.202 1.00 0.00 C ATOM 235 C TRP A 15 118.734 -9.655 5.973 1.00 0.00 C ATOM 236 O TRP A 15 119.197 -9.860 4.852 1.00 0.00 O ATOM 237 CB TRP A 15 118.355 -7.332 6.864 1.00 0.00 C ATOM 238 CG TRP A 15 119.608 -6.862 6.190 1.00 0.00 C ATOM 239 CD1 TRP A 15 120.878 -6.934 6.686 1.00 0.00 C ATOM 240 CD2 TRP A 15 119.716 -6.248 4.899 1.00 0.00 C ATOM 241 NE1 TRP A 15 121.768 -6.405 5.785 1.00 0.00 N ATOM 242 CE2 TRP A 15 121.079 -5.977 4.681 1.00 0.00 C ATOM 243 CE3 TRP A 15 118.792 -5.902 3.908 1.00 0.00 C ATOM 244 CZ2 TRP A 15 121.540 -5.378 3.511 1.00 0.00 C ATOM 245 CZ3 TRP A 15 119.251 -5.307 2.749 1.00 0.00 C ATOM 246 CH2 TRP A 15 120.615 -5.050 2.559 1.00 0.00 C ATOM 0 H TRP A 15 116.574 -8.628 7.962 1.00 0.00 H new ATOM 0 HA TRP A 15 117.310 -8.255 5.232 1.00 0.00 H new ATOM 0 HB2 TRP A 15 117.634 -6.514 6.877 1.00 0.00 H new ATOM 0 HB3 TRP A 15 118.583 -7.573 7.902 1.00 0.00 H new ATOM 0 HD1 TRP A 15 121.144 -7.347 7.648 1.00 0.00 H new ATOM 0 HE1 TRP A 15 122.778 -6.341 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 15 117.739 -6.096 4.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 122.591 -5.180 3.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 118.547 -5.035 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 15 120.943 -4.583 1.642 1.00 0.00 H new ATOM 257 N ASP A 16 119.064 -10.370 7.041 1.00 0.00 N ATOM 258 CA ASP A 16 119.999 -11.491 6.968 1.00 0.00 C ATOM 259 C ASP A 16 119.543 -12.518 5.934 1.00 0.00 C ATOM 260 O ASP A 16 120.356 -13.101 5.210 1.00 0.00 O ATOM 261 CB ASP A 16 120.120 -12.163 8.337 1.00 0.00 C ATOM 262 CG ASP A 16 120.940 -13.431 8.281 1.00 0.00 C ATOM 263 OD1 ASP A 16 122.184 -13.344 8.306 1.00 0.00 O ATOM 264 OD2 ASP A 16 120.344 -14.526 8.211 1.00 0.00 O ATOM 0 H ASP A 16 118.696 -10.193 7.976 1.00 0.00 H new ATOM 0 HA ASP A 16 120.971 -11.101 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 16 120.577 -11.468 9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 16 119.124 -12.393 8.716 1.00 0.00 H new ATOM 269 N GLN A 17 118.233 -12.708 5.858 1.00 0.00 N ATOM 270 CA GLN A 17 117.634 -13.669 4.942 1.00 0.00 C ATOM 271 C GLN A 17 117.845 -13.231 3.490 1.00 0.00 C ATOM 272 O GLN A 17 117.928 -14.061 2.582 1.00 0.00 O ATOM 273 CB GLN A 17 116.144 -13.807 5.267 1.00 0.00 C ATOM 274 CG GLN A 17 115.408 -14.851 4.447 1.00 0.00 C ATOM 275 CD GLN A 17 113.997 -15.070 4.955 1.00 0.00 C ATOM 276 OE1 GLN A 17 113.384 -14.165 5.522 1.00 0.00 O ATOM 277 NE2 GLN A 17 113.471 -16.270 4.759 1.00 0.00 N ATOM 0 H GLN A 17 117.556 -12.201 6.429 1.00 0.00 H new ATOM 0 HA GLN A 17 118.115 -14.640 5.063 1.00 0.00 H new ATOM 0 HB2 GLN A 17 116.038 -14.054 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 17 115.662 -12.841 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 17 115.375 -14.537 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 17 115.957 -15.792 4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 17 114.012 -16.993 4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 17 112.525 -16.471 5.082 1.00 0.00 H new ATOM 286 N GLN A 18 117.948 -11.922 3.287 1.00 0.00 N ATOM 287 CA GLN A 18 118.231 -11.356 1.971 1.00 0.00 C ATOM 288 C GLN A 18 119.725 -11.400 1.669 1.00 0.00 C ATOM 289 O GLN A 18 120.126 -11.501 0.514 1.00 0.00 O ATOM 290 CB GLN A 18 117.732 -9.911 1.886 1.00 0.00 C ATOM 291 CG GLN A 18 116.440 -9.746 1.101 1.00 0.00 C ATOM 292 CD GLN A 18 116.582 -10.158 -0.354 1.00 0.00 C ATOM 293 OE1 GLN A 18 117.662 -10.079 -0.933 1.00 0.00 O ATOM 294 NE2 GLN A 18 115.488 -10.583 -0.959 1.00 0.00 N ATOM 0 H GLN A 18 117.839 -11.226 4.025 1.00 0.00 H new ATOM 0 HA GLN A 18 117.705 -11.959 1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 18 117.582 -9.530 2.896 1.00 0.00 H new ATOM 0 HB3 GLN A 18 118.506 -9.297 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 18 115.657 -10.343 1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 18 116.120 -8.705 1.150 1.00 0.00 H new ATOM 0 HE21 GLN A 18 114.608 -10.635 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 18 115.522 -10.859 -1.940 1.00 0.00 H new ATOM 303 N VAL A 19 120.549 -11.319 2.712 1.00 0.00 N ATOM 304 CA VAL A 19 122.001 -11.390 2.553 1.00 0.00 C ATOM 305 C VAL A 19 122.404 -12.735 1.954 1.00 0.00 C ATOM 306 O VAL A 19 123.288 -12.813 1.096 1.00 0.00 O ATOM 307 CB VAL A 19 122.736 -11.181 3.899 1.00 0.00 C ATOM 308 CG1 VAL A 19 124.244 -11.283 3.720 1.00 0.00 C ATOM 309 CG2 VAL A 19 122.364 -9.838 4.508 1.00 0.00 C ATOM 0 H VAL A 19 120.237 -11.204 3.676 1.00 0.00 H new ATOM 0 HA VAL A 19 122.294 -10.586 1.878 1.00 0.00 H new ATOM 0 HB VAL A 19 122.421 -11.972 4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 19 124.736 -11.132 4.681 1.00 0.00 H new ATOM 0 HG12 VAL A 19 124.499 -12.270 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 19 124.579 -10.520 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 19 122.890 -9.709 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 19 122.646 -9.038 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 19 121.289 -9.803 4.684 1.00 0.00 H new ATOM 319 N ALA A 20 121.730 -13.790 2.393 1.00 0.00 N ATOM 320 CA ALA A 20 121.971 -15.127 1.865 1.00 0.00 C ATOM 321 C ALA A 20 121.316 -15.292 0.494 1.00 0.00 C ATOM 322 O ALA A 20 121.460 -16.321 -0.162 1.00 0.00 O ATOM 323 CB ALA A 20 121.457 -16.176 2.839 1.00 0.00 C ATOM 0 H ALA A 20 121.011 -13.746 3.115 1.00 0.00 H new ATOM 0 HA ALA A 20 123.045 -15.265 1.743 1.00 0.00 H new ATOM 0 HB1 ALA A 20 121.643 -17.171 2.434 1.00 0.00 H new ATOM 0 HB2 ALA A 20 121.973 -16.071 3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 20 120.386 -16.039 2.989 1.00 0.00 H new ATOM 329 N LYS A 21 120.592 -14.264 0.074 1.00 0.00 N ATOM 330 CA LYS A 21 119.954 -14.244 -1.232 1.00 0.00 C ATOM 331 C LYS A 21 120.566 -13.158 -2.105 1.00 0.00 C ATOM 332 O LYS A 21 119.969 -12.738 -3.090 1.00 0.00 O ATOM 333 CB LYS A 21 118.448 -14.008 -1.088 1.00 0.00 C ATOM 334 CG LYS A 21 117.633 -15.287 -1.034 1.00 0.00 C ATOM 335 CD LYS A 21 116.171 -15.002 -0.732 1.00 0.00 C ATOM 336 CE LYS A 21 115.306 -16.241 -0.924 1.00 0.00 C ATOM 337 NZ LYS A 21 115.898 -17.446 -0.283 1.00 0.00 N ATOM 0 H LYS A 21 120.431 -13.423 0.628 1.00 0.00 H new ATOM 0 HA LYS A 21 120.116 -15.212 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 21 118.264 -13.432 -0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 21 118.102 -13.402 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 21 117.714 -15.812 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 118.042 -15.948 -0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 21 116.074 -14.645 0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 21 115.814 -14.204 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 21 114.316 -16.059 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 21 115.173 -16.427 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 115.182 -18.198 -0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 116.707 -17.777 -0.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 116.220 -17.206 0.676 1.00 0.00 H new ATOM 351 N GLY A 22 121.768 -12.721 -1.749 1.00 0.00 N ATOM 352 CA GLY A 22 122.422 -11.645 -2.477 1.00 0.00 C ATOM 353 C GLY A 22 122.662 -11.984 -3.935 1.00 0.00 C ATOM 354 O GLY A 22 122.666 -11.099 -4.790 1.00 0.00 O ATOM 0 H GLY A 22 122.305 -13.093 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 22 121.810 -10.745 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 22 123.375 -11.416 -2.000 1.00 0.00 H new ATOM 358 N ALA A 23 122.867 -13.261 -4.221 1.00 0.00 N ATOM 359 CA ALA A 23 123.099 -13.711 -5.590 1.00 0.00 C ATOM 360 C ALA A 23 121.814 -14.220 -6.244 1.00 0.00 C ATOM 361 O ALA A 23 121.834 -14.709 -7.374 1.00 0.00 O ATOM 362 CB ALA A 23 124.163 -14.799 -5.607 1.00 0.00 C ATOM 0 H ALA A 23 122.878 -14.006 -3.525 1.00 0.00 H new ATOM 0 HA ALA A 23 123.447 -12.855 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 23 124.330 -15.129 -6.632 1.00 0.00 H new ATOM 0 HB2 ALA A 23 125.093 -14.405 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.830 -15.643 -5.004 1.00 0.00 H new ATOM 368 N ALA A 24 120.693 -14.095 -5.546 1.00 0.00 N ATOM 369 CA ALA A 24 119.429 -14.624 -6.047 1.00 0.00 C ATOM 370 C ALA A 24 118.343 -13.557 -6.070 1.00 0.00 C ATOM 371 O ALA A 24 117.732 -13.301 -7.108 1.00 0.00 O ATOM 372 CB ALA A 24 118.983 -15.809 -5.203 1.00 0.00 C ATOM 0 H ALA A 24 120.632 -13.635 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 24 119.592 -14.955 -7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 24 118.039 -16.194 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 24 119.740 -16.592 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 24 118.851 -15.490 -4.169 1.00 0.00 H new ATOM 378 N GLY A 25 118.114 -12.931 -4.929 1.00 0.00 N ATOM 379 CA GLY A 25 117.050 -11.958 -4.812 1.00 0.00 C ATOM 380 C GLY A 25 115.732 -12.604 -4.445 1.00 0.00 C ATOM 381 O GLY A 25 115.677 -13.803 -4.167 1.00 0.00 O ATOM 0 H GLY A 25 118.650 -13.081 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 25 117.315 -11.219 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 25 116.942 -11.423 -5.756 1.00 0.00 H new ATOM 385 N GLU A 26 114.675 -11.810 -4.427 1.00 0.00 N ATOM 386 CA GLU A 26 113.345 -12.316 -4.143 1.00 0.00 C ATOM 387 C GLU A 26 112.308 -11.518 -4.920 1.00 0.00 C ATOM 388 O GLU A 26 112.473 -10.314 -5.140 1.00 0.00 O ATOM 389 CB GLU A 26 113.060 -12.251 -2.640 1.00 0.00 C ATOM 390 CG GLU A 26 111.710 -12.825 -2.239 1.00 0.00 C ATOM 391 CD GLU A 26 111.519 -14.256 -2.702 1.00 0.00 C ATOM 392 OE1 GLU A 26 111.932 -15.181 -1.975 1.00 0.00 O ATOM 393 OE2 GLU A 26 110.945 -14.463 -3.794 1.00 0.00 O ATOM 0 H GLU A 26 114.714 -10.807 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 26 113.289 -13.358 -4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 26 113.844 -12.790 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 26 113.112 -11.212 -2.316 1.00 0.00 H new ATOM 0 HG2 GLU A 26 111.610 -12.782 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 26 110.918 -12.204 -2.657 1.00 0.00 H new ATOM 400 N ALA A 27 111.248 -12.195 -5.334 1.00 0.00 N ATOM 401 CA ALA A 27 110.192 -11.567 -6.104 1.00 0.00 C ATOM 402 C ALA A 27 109.189 -10.886 -5.186 1.00 0.00 C ATOM 403 O ALA A 27 108.484 -11.543 -4.418 1.00 0.00 O ATOM 404 CB ALA A 27 109.498 -12.593 -6.988 1.00 0.00 C ATOM 0 H ALA A 27 111.098 -13.186 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 27 110.639 -10.806 -6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 27 108.708 -12.106 -7.559 1.00 0.00 H new ATOM 0 HB2 ALA A 27 110.223 -13.033 -7.673 1.00 0.00 H new ATOM 0 HB3 ALA A 27 109.065 -13.376 -6.366 1.00 0.00 H new ATOM 410 N TRP A 28 109.141 -9.566 -5.260 1.00 0.00 N ATOM 411 CA TRP A 28 108.216 -8.789 -4.453 1.00 0.00 C ATOM 412 C TRP A 28 106.835 -8.803 -5.105 1.00 0.00 C ATOM 413 O TRP A 28 106.507 -7.930 -5.905 1.00 0.00 O ATOM 414 CB TRP A 28 108.734 -7.354 -4.307 1.00 0.00 C ATOM 415 CG TRP A 28 108.554 -6.775 -2.933 1.00 0.00 C ATOM 416 CD1 TRP A 28 107.919 -5.609 -2.609 1.00 0.00 C ATOM 417 CD2 TRP A 28 109.026 -7.331 -1.697 1.00 0.00 C ATOM 418 NE1 TRP A 28 107.975 -5.401 -1.250 1.00 0.00 N ATOM 419 CE2 TRP A 28 108.645 -6.447 -0.668 1.00 0.00 C ATOM 420 CE3 TRP A 28 109.734 -8.491 -1.359 1.00 0.00 C ATOM 421 CZ2 TRP A 28 108.950 -6.685 0.669 1.00 0.00 C ATOM 422 CZ3 TRP A 28 110.035 -8.725 -0.030 1.00 0.00 C ATOM 423 CH2 TRP A 28 109.644 -7.825 0.970 1.00 0.00 C ATOM 0 H TRP A 28 109.735 -9.008 -5.874 1.00 0.00 H new ATOM 0 HA TRP A 28 108.137 -9.229 -3.459 1.00 0.00 H new ATOM 0 HB2 TRP A 28 109.793 -7.334 -4.562 1.00 0.00 H new ATOM 0 HB3 TRP A 28 108.220 -6.718 -5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 28 107.442 -4.947 -3.317 1.00 0.00 H new ATOM 0 HE1 TRP A 28 107.582 -4.600 -0.756 1.00 0.00 H new ATOM 0 HE3 TRP A 28 110.040 -9.191 -2.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 108.649 -5.994 1.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 110.581 -9.616 0.242 1.00 0.00 H new ATOM 0 HH2 TRP A 28 109.895 -8.035 1.999 1.00 0.00 H new ATOM 434 N THR A 29 106.061 -9.836 -4.803 1.00 0.00 N ATOM 435 CA THR A 29 104.756 -10.035 -5.420 1.00 0.00 C ATOM 436 C THR A 29 103.611 -9.713 -4.460 1.00 0.00 C ATOM 437 O THR A 29 103.802 -9.650 -3.240 1.00 0.00 O ATOM 438 CB THR A 29 104.609 -11.491 -5.905 1.00 0.00 C ATOM 439 OG1 THR A 29 105.186 -12.389 -4.943 1.00 0.00 O ATOM 440 CG2 THR A 29 105.278 -11.691 -7.254 1.00 0.00 C ATOM 0 H THR A 29 106.317 -10.556 -4.128 1.00 0.00 H new ATOM 0 HA THR A 29 104.697 -9.350 -6.266 1.00 0.00 H new ATOM 0 HB THR A 29 103.546 -11.704 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 29 105.087 -13.312 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 29 105.158 -12.727 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 29 104.818 -11.032 -7.990 1.00 0.00 H new ATOM 0 HG23 THR A 29 106.340 -11.458 -7.172 1.00 0.00 H new ATOM 448 N GLY A 30 102.421 -9.511 -5.021 1.00 0.00 N ATOM 449 CA GLY A 30 101.238 -9.285 -4.210 1.00 0.00 C ATOM 450 C GLY A 30 100.950 -7.816 -3.975 1.00 0.00 C ATOM 451 O GLY A 30 100.259 -7.456 -3.022 1.00 0.00 O ATOM 0 H GLY A 30 102.256 -9.500 -6.027 1.00 0.00 H new ATOM 0 HA2 GLY A 30 100.378 -9.744 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 30 101.363 -9.783 -3.248 1.00 0.00 H new ATOM 455 N VAL A 31 101.471 -6.960 -4.841 1.00 0.00 N ATOM 456 CA VAL A 31 101.244 -5.530 -4.709 1.00 0.00 C ATOM 457 C VAL A 31 99.904 -5.124 -5.323 1.00 0.00 C ATOM 458 O VAL A 31 99.791 -4.891 -6.525 1.00 0.00 O ATOM 459 CB VAL A 31 102.390 -4.698 -5.330 1.00 0.00 C ATOM 460 CG1 VAL A 31 103.626 -4.761 -4.448 1.00 0.00 C ATOM 461 CG2 VAL A 31 102.724 -5.183 -6.734 1.00 0.00 C ATOM 0 H VAL A 31 102.050 -7.228 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 31 101.219 -5.315 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 31 102.054 -3.663 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 31 104.424 -4.171 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 31 103.390 -4.361 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 31 103.951 -5.797 -4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 31 103.533 -4.579 -7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 31 103.035 -6.227 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 31 101.844 -5.091 -7.370 1.00 0.00 H new ATOM 471 N ARG A 32 98.878 -5.058 -4.487 1.00 0.00 N ATOM 472 CA ARG A 32 97.544 -4.716 -4.960 1.00 0.00 C ATOM 473 C ARG A 32 97.267 -3.231 -4.739 1.00 0.00 C ATOM 474 O ARG A 32 96.156 -2.748 -4.968 1.00 0.00 O ATOM 475 CB ARG A 32 96.494 -5.582 -4.258 1.00 0.00 C ATOM 476 CG ARG A 32 95.305 -5.914 -5.145 1.00 0.00 C ATOM 477 CD ARG A 32 94.447 -7.025 -4.556 1.00 0.00 C ATOM 478 NE ARG A 32 93.571 -7.623 -5.565 1.00 0.00 N ATOM 479 CZ ARG A 32 93.132 -8.884 -5.524 1.00 0.00 C ATOM 480 NH1 ARG A 32 93.405 -9.658 -4.478 1.00 0.00 N ATOM 481 NH2 ARG A 32 92.409 -9.366 -6.526 1.00 0.00 N ATOM 0 H ARG A 32 98.942 -5.235 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 32 97.487 -4.915 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 32 96.960 -6.509 -3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 32 96.141 -5.063 -3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 32 94.696 -5.021 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 32 95.661 -6.214 -6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 32 95.090 -7.795 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 32 93.844 -6.626 -3.740 1.00 0.00 H new ATOM 0 HE ARG A 32 93.277 -7.040 -6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 32 93.953 -9.290 -3.700 1.00 0.00 H new ATOM 0 HH12 ARG A 32 93.067 -10.620 -4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 32 92.189 -8.774 -7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 32 92.073 -10.329 -6.496 1.00 0.00 H new ATOM 495 N ASN A 33 98.290 -2.513 -4.293 1.00 0.00 N ATOM 496 CA ASN A 33 98.209 -1.066 -4.142 1.00 0.00 C ATOM 497 C ASN A 33 98.761 -0.394 -5.390 1.00 0.00 C ATOM 498 O ASN A 33 99.895 -0.657 -5.798 1.00 0.00 O ATOM 499 CB ASN A 33 98.983 -0.597 -2.903 1.00 0.00 C ATOM 500 CG ASN A 33 98.288 -0.948 -1.597 1.00 0.00 C ATOM 501 OD1 ASN A 33 97.542 -1.922 -1.510 1.00 0.00 O ATOM 502 ND2 ASN A 33 98.535 -0.154 -0.568 1.00 0.00 N ATOM 0 H ASN A 33 99.190 -2.912 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 33 97.163 -0.788 -4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 33 99.976 -1.046 -2.911 1.00 0.00 H new ATOM 0 HB3 ASN A 33 99.121 0.483 -2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 33 98.101 -0.341 0.336 1.00 0.00 H new ATOM 0 HD22 ASN A 33 99.160 0.645 -0.679 1.00 0.00 H new ATOM 509 N HIS A 34 97.965 0.479 -5.987 1.00 0.00 N ATOM 510 CA HIS A 34 98.302 1.070 -7.275 1.00 0.00 C ATOM 511 C HIS A 34 99.505 1.999 -7.151 1.00 0.00 C ATOM 512 O HIS A 34 100.271 2.154 -8.100 1.00 0.00 O ATOM 513 CB HIS A 34 97.100 1.831 -7.842 1.00 0.00 C ATOM 514 CG HIS A 34 97.111 1.946 -9.338 1.00 0.00 C ATOM 515 ND1 HIS A 34 96.444 1.064 -10.161 1.00 0.00 N ATOM 516 CD2 HIS A 34 97.713 2.839 -10.159 1.00 0.00 C ATOM 517 CE1 HIS A 34 96.639 1.405 -11.422 1.00 0.00 C ATOM 518 NE2 HIS A 34 97.405 2.478 -11.449 1.00 0.00 N ATOM 0 H HIS A 34 97.077 0.796 -5.599 1.00 0.00 H new ATOM 0 HA HIS A 34 98.564 0.264 -7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 34 96.184 1.329 -7.532 1.00 0.00 H new ATOM 0 HB3 HIS A 34 97.077 2.831 -7.410 1.00 0.00 H new ATOM 0 HD2 HIS A 34 98.322 3.678 -9.857 1.00 0.00 H new ATOM 0 HE1 HIS A 34 96.239 0.892 -12.284 1.00 0.00 H new ATOM 0 HE2 HIS A 34 97.718 2.962 -12.291 1.00 0.00 H new ATOM 527 N SER A 35 99.673 2.604 -5.982 1.00 0.00 N ATOM 528 CA SER A 35 100.799 3.495 -5.742 1.00 0.00 C ATOM 529 C SER A 35 102.120 2.724 -5.800 1.00 0.00 C ATOM 530 O SER A 35 103.107 3.200 -6.362 1.00 0.00 O ATOM 531 CB SER A 35 100.628 4.173 -4.386 1.00 0.00 C ATOM 532 OG SER A 35 99.348 4.778 -4.286 1.00 0.00 O ATOM 0 H SER A 35 99.044 2.494 -5.187 1.00 0.00 H new ATOM 0 HA SER A 35 100.825 4.257 -6.521 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.753 3.440 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.404 4.927 -4.250 1.00 0.00 H new ATOM 0 HG SER A 35 99.256 5.206 -3.409 1.00 0.00 H new ATOM 538 N ALA A 36 102.124 1.517 -5.237 1.00 0.00 N ATOM 539 CA ALA A 36 103.306 0.668 -5.262 1.00 0.00 C ATOM 540 C ALA A 36 103.586 0.202 -6.684 1.00 0.00 C ATOM 541 O ALA A 36 104.720 0.262 -7.160 1.00 0.00 O ATOM 542 CB ALA A 36 103.123 -0.525 -4.335 1.00 0.00 C ATOM 0 H ALA A 36 101.321 1.108 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 36 104.160 1.246 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 36 104.016 -1.150 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 36 102.961 -0.173 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 36 102.261 -1.108 -4.658 1.00 0.00 H new ATOM 548 N LYS A 37 102.526 -0.234 -7.357 1.00 0.00 N ATOM 549 CA LYS A 37 102.595 -0.655 -8.750 1.00 0.00 C ATOM 550 C LYS A 37 103.160 0.458 -9.631 1.00 0.00 C ATOM 551 O LYS A 37 104.009 0.215 -10.488 1.00 0.00 O ATOM 552 CB LYS A 37 101.194 -1.066 -9.223 1.00 0.00 C ATOM 553 CG LYS A 37 100.990 -1.008 -10.730 1.00 0.00 C ATOM 554 CD LYS A 37 99.605 -1.504 -11.117 1.00 0.00 C ATOM 555 CE LYS A 37 99.185 -0.996 -12.488 1.00 0.00 C ATOM 556 NZ LYS A 37 100.213 -1.252 -13.533 1.00 0.00 N ATOM 0 H LYS A 37 101.593 -0.305 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 37 103.268 -1.509 -8.831 1.00 0.00 H new ATOM 0 HB2 LYS A 37 100.993 -2.081 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 37 100.459 -0.418 -8.745 1.00 0.00 H new ATOM 0 HG2 LYS A 37 101.123 0.016 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 37 101.748 -1.614 -11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 37 99.596 -2.594 -11.115 1.00 0.00 H new ATOM 0 HD3 LYS A 37 98.881 -1.178 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 37 98.250 -1.475 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.990 0.075 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 99.837 -0.980 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.065 -0.692 -13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 100.456 -2.263 -13.540 1.00 0.00 H new ATOM 570 N LEU A 38 102.699 1.680 -9.394 1.00 0.00 N ATOM 571 CA LEU A 38 103.145 2.838 -10.159 1.00 0.00 C ATOM 572 C LEU A 38 104.653 3.031 -10.039 1.00 0.00 C ATOM 573 O LEU A 38 105.342 3.248 -11.034 1.00 0.00 O ATOM 574 CB LEU A 38 102.415 4.098 -9.679 1.00 0.00 C ATOM 575 CG LEU A 38 102.779 5.386 -10.417 1.00 0.00 C ATOM 576 CD1 LEU A 38 102.444 5.269 -11.895 1.00 0.00 C ATOM 577 CD2 LEU A 38 102.056 6.568 -9.797 1.00 0.00 C ATOM 0 H LEU A 38 102.011 1.895 -8.672 1.00 0.00 H new ATOM 0 HA LEU A 38 102.908 2.662 -11.208 1.00 0.00 H new ATOM 0 HB2 LEU A 38 101.342 3.935 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 38 102.622 4.236 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 38 103.853 5.548 -10.324 1.00 0.00 H new ATOM 0 HD11 LEU A 38 102.710 6.196 -12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 38 103.005 4.442 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 38 101.376 5.085 -12.013 1.00 0.00 H new ATOM 0 HD21 LEU A 38 102.324 7.479 -10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 38 100.979 6.411 -9.863 1.00 0.00 H new ATOM 0 HD23 LEU A 38 102.345 6.663 -8.750 1.00 0.00 H new ATOM 589 N HIS A 39 105.166 2.931 -8.821 1.00 0.00 N ATOM 590 CA HIS A 39 106.593 3.123 -8.588 1.00 0.00 C ATOM 591 C HIS A 39 107.394 1.936 -9.110 1.00 0.00 C ATOM 592 O HIS A 39 108.557 2.084 -9.473 1.00 0.00 O ATOM 593 CB HIS A 39 106.887 3.359 -7.102 1.00 0.00 C ATOM 594 CG HIS A 39 106.327 4.649 -6.572 1.00 0.00 C ATOM 595 ND1 HIS A 39 106.625 5.881 -7.114 1.00 0.00 N ATOM 596 CD2 HIS A 39 105.473 4.892 -5.550 1.00 0.00 C ATOM 597 CE1 HIS A 39 105.981 6.821 -6.450 1.00 0.00 C ATOM 598 NE2 HIS A 39 105.272 6.251 -5.495 1.00 0.00 N ATOM 0 H HIS A 39 104.622 2.720 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 39 106.900 4.013 -9.137 1.00 0.00 H new ATOM 0 HB2 HIS A 39 106.477 2.531 -6.524 1.00 0.00 H new ATOM 0 HB3 HIS A 39 107.966 3.352 -6.949 1.00 0.00 H new ATOM 0 HD2 HIS A 39 105.031 4.154 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 39 106.027 7.881 -6.654 1.00 0.00 H new ATOM 0 HE2 HIS A 39 104.674 6.737 -4.827 1.00 0.00 H new ATOM 607 N MET A 40 106.766 0.767 -9.162 1.00 0.00 N ATOM 608 CA MET A 40 107.414 -0.426 -9.699 1.00 0.00 C ATOM 609 C MET A 40 107.640 -0.306 -11.201 1.00 0.00 C ATOM 610 O MET A 40 108.651 -0.772 -11.717 1.00 0.00 O ATOM 611 CB MET A 40 106.592 -1.678 -9.412 1.00 0.00 C ATOM 612 CG MET A 40 106.910 -2.337 -8.082 1.00 0.00 C ATOM 613 SD MET A 40 106.016 -3.887 -7.868 1.00 0.00 S ATOM 614 CE MET A 40 106.800 -4.542 -6.400 1.00 0.00 C ATOM 0 H MET A 40 105.810 0.619 -8.839 1.00 0.00 H new ATOM 0 HA MET A 40 108.380 -0.513 -9.202 1.00 0.00 H new ATOM 0 HB2 MET A 40 105.534 -1.417 -9.432 1.00 0.00 H new ATOM 0 HB3 MET A 40 106.758 -2.400 -10.212 1.00 0.00 H new ATOM 0 HG2 MET A 40 107.982 -2.524 -8.017 1.00 0.00 H new ATOM 0 HG3 MET A 40 106.656 -1.656 -7.270 1.00 0.00 H new ATOM 0 HE1 MET A 40 106.049 -5.015 -5.767 1.00 0.00 H new ATOM 0 HE2 MET A 40 107.550 -5.280 -6.686 1.00 0.00 H new ATOM 0 HE3 MET A 40 107.280 -3.731 -5.851 1.00 0.00 H new ATOM 624 N VAL A 41 106.699 0.319 -11.898 1.00 0.00 N ATOM 625 CA VAL A 41 106.830 0.527 -13.338 1.00 0.00 C ATOM 626 C VAL A 41 108.014 1.450 -13.630 1.00 0.00 C ATOM 627 O VAL A 41 108.603 1.415 -14.714 1.00 0.00 O ATOM 628 CB VAL A 41 105.535 1.122 -13.943 1.00 0.00 C ATOM 629 CG1 VAL A 41 105.666 1.315 -15.448 1.00 0.00 C ATOM 630 CG2 VAL A 41 104.344 0.232 -13.629 1.00 0.00 C ATOM 0 H VAL A 41 105.839 0.690 -11.493 1.00 0.00 H new ATOM 0 HA VAL A 41 107.004 -0.444 -13.802 1.00 0.00 H new ATOM 0 HB VAL A 41 105.374 2.100 -13.490 1.00 0.00 H new ATOM 0 HG11 VAL A 41 104.741 1.734 -15.843 1.00 0.00 H new ATOM 0 HG12 VAL A 41 106.491 1.996 -15.657 1.00 0.00 H new ATOM 0 HG13 VAL A 41 105.860 0.353 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 41 103.442 0.665 -14.062 1.00 0.00 H new ATOM 0 HG22 VAL A 41 104.509 -0.759 -14.051 1.00 0.00 H new ATOM 0 HG23 VAL A 41 104.225 0.151 -12.549 1.00 0.00 H new ATOM 640 N ALA A 42 108.369 2.264 -12.646 1.00 0.00 N ATOM 641 CA ALA A 42 109.509 3.159 -12.768 1.00 0.00 C ATOM 642 C ALA A 42 110.791 2.490 -12.274 1.00 0.00 C ATOM 643 O ALA A 42 111.873 3.073 -12.355 1.00 0.00 O ATOM 644 CB ALA A 42 109.253 4.444 -11.999 1.00 0.00 C ATOM 0 H ALA A 42 107.882 2.322 -11.752 1.00 0.00 H new ATOM 0 HA ALA A 42 109.640 3.399 -13.823 1.00 0.00 H new ATOM 0 HB1 ALA A 42 110.114 5.105 -12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 42 108.368 4.938 -12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 42 109.093 4.212 -10.946 1.00 0.00 H new ATOM 650 N MET A 43 110.666 1.267 -11.773 1.00 0.00 N ATOM 651 CA MET A 43 111.817 0.521 -11.273 1.00 0.00 C ATOM 652 C MET A 43 112.484 -0.262 -12.391 1.00 0.00 C ATOM 653 O MET A 43 111.817 -0.915 -13.197 1.00 0.00 O ATOM 654 CB MET A 43 111.411 -0.439 -10.152 1.00 0.00 C ATOM 655 CG MET A 43 111.054 0.252 -8.851 1.00 0.00 C ATOM 656 SD MET A 43 110.545 -0.907 -7.567 1.00 0.00 S ATOM 657 CE MET A 43 110.309 0.211 -6.192 1.00 0.00 C ATOM 0 H MET A 43 109.779 0.769 -11.702 1.00 0.00 H new ATOM 0 HA MET A 43 112.525 1.248 -10.875 1.00 0.00 H new ATOM 0 HB2 MET A 43 110.557 -1.030 -10.484 1.00 0.00 H new ATOM 0 HB3 MET A 43 112.229 -1.136 -9.969 1.00 0.00 H new ATOM 0 HG2 MET A 43 111.913 0.823 -8.500 1.00 0.00 H new ATOM 0 HG3 MET A 43 110.249 0.965 -9.031 1.00 0.00 H new ATOM 0 HE1 MET A 43 109.686 -0.268 -5.436 1.00 0.00 H new ATOM 0 HE2 MET A 43 111.277 0.463 -5.758 1.00 0.00 H new ATOM 0 HE3 MET A 43 109.820 1.120 -6.542 1.00 0.00 H new ATOM 667 N ARG A 44 113.800 -0.186 -12.437 1.00 0.00 N ATOM 668 CA ARG A 44 114.576 -0.907 -13.426 1.00 0.00 C ATOM 669 C ARG A 44 115.812 -1.506 -12.758 1.00 0.00 C ATOM 670 O ARG A 44 116.227 -1.042 -11.699 1.00 0.00 O ATOM 671 CB ARG A 44 114.966 0.047 -14.560 1.00 0.00 C ATOM 672 CG ARG A 44 115.421 -0.648 -15.831 1.00 0.00 C ATOM 673 CD ARG A 44 115.563 0.339 -16.978 1.00 0.00 C ATOM 674 NE ARG A 44 115.904 -0.321 -18.238 1.00 0.00 N ATOM 675 CZ ARG A 44 116.129 0.331 -19.381 1.00 0.00 C ATOM 676 NH1 ARG A 44 115.993 1.653 -19.437 1.00 0.00 N ATOM 677 NH2 ARG A 44 116.475 -0.337 -20.474 1.00 0.00 N ATOM 0 H ARG A 44 114.359 0.374 -11.793 1.00 0.00 H new ATOM 0 HA ARG A 44 113.986 -1.720 -13.850 1.00 0.00 H new ATOM 0 HB2 ARG A 44 114.113 0.684 -14.793 1.00 0.00 H new ATOM 0 HB3 ARG A 44 115.765 0.701 -14.211 1.00 0.00 H new ATOM 0 HG2 ARG A 44 116.375 -1.145 -15.655 1.00 0.00 H new ATOM 0 HG3 ARG A 44 114.704 -1.423 -16.101 1.00 0.00 H new ATOM 0 HD2 ARG A 44 114.630 0.889 -17.099 1.00 0.00 H new ATOM 0 HD3 ARG A 44 116.334 1.070 -16.733 1.00 0.00 H new ATOM 0 HE ARG A 44 115.974 -1.339 -18.244 1.00 0.00 H new ATOM 0 HH11 ARG A 44 115.716 2.173 -18.604 1.00 0.00 H new ATOM 0 HH12 ARG A 44 116.166 2.147 -20.313 1.00 0.00 H new ATOM 0 HH21 ARG A 44 116.570 -1.352 -20.443 1.00 0.00 H new ATOM 0 HH22 ARG A 44 116.646 0.165 -21.346 1.00 0.00 H new ATOM 691 N ARG A 45 116.379 -2.548 -13.355 1.00 0.00 N ATOM 692 CA ARG A 45 117.581 -3.171 -12.807 1.00 0.00 C ATOM 693 C ARG A 45 118.693 -2.134 -12.652 1.00 0.00 C ATOM 694 O ARG A 45 118.984 -1.382 -13.585 1.00 0.00 O ATOM 695 CB ARG A 45 118.043 -4.330 -13.700 1.00 0.00 C ATOM 696 CG ARG A 45 119.371 -4.934 -13.273 1.00 0.00 C ATOM 697 CD ARG A 45 119.786 -6.082 -14.176 1.00 0.00 C ATOM 698 NE ARG A 45 119.140 -7.343 -13.815 1.00 0.00 N ATOM 699 CZ ARG A 45 119.698 -8.541 -13.996 1.00 0.00 C ATOM 700 NH1 ARG A 45 120.881 -8.647 -14.588 1.00 0.00 N ATOM 701 NH2 ARG A 45 119.061 -9.633 -13.594 1.00 0.00 N ATOM 0 H ARG A 45 116.030 -2.978 -14.212 1.00 0.00 H new ATOM 0 HA ARG A 45 117.344 -3.573 -11.822 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.280 -5.109 -13.694 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.128 -3.975 -14.727 1.00 0.00 H new ATOM 0 HG2 ARG A 45 120.142 -4.164 -13.287 1.00 0.00 H new ATOM 0 HG3 ARG A 45 119.295 -5.289 -12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.540 -5.834 -15.209 1.00 0.00 H new ATOM 0 HD3 ARG A 45 120.868 -6.205 -14.127 1.00 0.00 H new ATOM 0 HE ARG A 45 118.209 -7.304 -13.401 1.00 0.00 H new ATOM 0 HH11 ARG A 45 121.368 -7.810 -14.907 1.00 0.00 H new ATOM 0 HH12 ARG A 45 121.303 -9.566 -14.724 1.00 0.00 H new ATOM 0 HH21 ARG A 45 118.147 -9.555 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 45 119.485 -10.550 -13.731 1.00 0.00 H new ATOM 715 N GLY A 46 119.295 -2.084 -11.468 1.00 0.00 N ATOM 716 CA GLY A 46 120.295 -1.075 -11.195 1.00 0.00 C ATOM 717 C GLY A 46 119.787 -0.039 -10.219 1.00 0.00 C ATOM 718 O GLY A 46 120.572 0.668 -9.585 1.00 0.00 O ATOM 0 H GLY A 46 119.107 -2.724 -10.696 1.00 0.00 H new ATOM 0 HA2 GLY A 46 121.190 -1.549 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 46 120.585 -0.588 -12.126 1.00 0.00 H new ATOM 722 N ASP A 47 118.464 0.061 -10.109 1.00 0.00 N ATOM 723 CA ASP A 47 117.843 0.936 -9.124 1.00 0.00 C ATOM 724 C ASP A 47 118.097 0.386 -7.732 1.00 0.00 C ATOM 725 O ASP A 47 118.197 -0.827 -7.551 1.00 0.00 O ATOM 726 CB ASP A 47 116.334 1.061 -9.357 1.00 0.00 C ATOM 727 CG ASP A 47 115.974 1.827 -10.618 1.00 0.00 C ATOM 728 OD1 ASP A 47 116.889 2.329 -11.311 1.00 0.00 O ATOM 729 OD2 ASP A 47 114.769 1.934 -10.916 1.00 0.00 O ATOM 0 H ASP A 47 117.804 -0.454 -10.691 1.00 0.00 H new ATOM 0 HA ASP A 47 118.283 1.928 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 47 115.900 0.063 -9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 47 115.882 1.558 -8.499 1.00 0.00 H new ATOM 734 N ARG A 48 118.197 1.262 -6.752 1.00 0.00 N ATOM 735 CA ARG A 48 118.539 0.841 -5.406 1.00 0.00 C ATOM 736 C ARG A 48 117.603 1.477 -4.391 1.00 0.00 C ATOM 737 O ARG A 48 117.233 2.644 -4.513 1.00 0.00 O ATOM 738 CB ARG A 48 120.003 1.175 -5.110 1.00 0.00 C ATOM 739 CG ARG A 48 120.959 0.366 -5.973 1.00 0.00 C ATOM 740 CD ARG A 48 122.399 0.824 -5.850 1.00 0.00 C ATOM 741 NE ARG A 48 123.278 0.005 -6.682 1.00 0.00 N ATOM 742 CZ ARG A 48 124.322 0.466 -7.364 1.00 0.00 C ATOM 743 NH1 ARG A 48 124.651 1.752 -7.320 1.00 0.00 N ATOM 744 NH2 ARG A 48 125.031 -0.367 -8.110 1.00 0.00 N ATOM 0 H ARG A 48 118.047 2.265 -6.860 1.00 0.00 H new ATOM 0 HA ARG A 48 118.416 -0.239 -5.329 1.00 0.00 H new ATOM 0 HB2 ARG A 48 120.173 2.238 -5.279 1.00 0.00 H new ATOM 0 HB3 ARG A 48 120.213 0.982 -4.058 1.00 0.00 H new ATOM 0 HG2 ARG A 48 120.892 -0.685 -5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 48 120.648 0.438 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 48 122.479 1.869 -6.148 1.00 0.00 H new ATOM 0 HD3 ARG A 48 122.717 0.764 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 48 123.076 -0.993 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 48 124.100 2.400 -6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 48 125.455 2.091 -7.849 1.00 0.00 H new ATOM 0 HH21 ARG A 48 124.775 -1.353 -8.158 1.00 0.00 H new ATOM 0 HH22 ARG A 48 125.834 -0.023 -8.637 1.00 0.00 H new ATOM 758 N ALA A 49 117.216 0.696 -3.397 1.00 0.00 N ATOM 759 CA ALA A 49 116.225 1.124 -2.427 1.00 0.00 C ATOM 760 C ALA A 49 116.723 0.914 -1.006 1.00 0.00 C ATOM 761 O ALA A 49 117.660 0.150 -0.773 1.00 0.00 O ATOM 762 CB ALA A 49 114.927 0.359 -2.645 1.00 0.00 C ATOM 0 H ALA A 49 117.577 -0.245 -3.241 1.00 0.00 H new ATOM 0 HA ALA A 49 116.045 2.190 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 49 114.186 0.684 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 49 114.554 0.554 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 49 115.110 -0.709 -2.526 1.00 0.00 H new ATOM 768 N PHE A 50 116.087 1.588 -0.064 1.00 0.00 N ATOM 769 CA PHE A 50 116.400 1.410 1.344 1.00 0.00 C ATOM 770 C PHE A 50 115.543 0.303 1.933 1.00 0.00 C ATOM 771 O PHE A 50 114.329 0.269 1.723 1.00 0.00 O ATOM 772 CB PHE A 50 116.161 2.700 2.132 1.00 0.00 C ATOM 773 CG PHE A 50 117.204 3.764 1.924 1.00 0.00 C ATOM 774 CD1 PHE A 50 118.545 3.496 2.162 1.00 0.00 C ATOM 775 CD2 PHE A 50 116.843 5.032 1.500 1.00 0.00 C ATOM 776 CE1 PHE A 50 119.504 4.477 1.985 1.00 0.00 C ATOM 777 CE2 PHE A 50 117.798 6.017 1.324 1.00 0.00 C ATOM 778 CZ PHE A 50 119.130 5.738 1.564 1.00 0.00 C ATOM 0 H PHE A 50 115.348 2.266 -0.249 1.00 0.00 H new ATOM 0 HA PHE A 50 117.454 1.144 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 50 115.188 3.105 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 50 116.114 2.458 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 50 118.843 2.511 2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 50 115.804 5.254 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 50 120.544 4.257 2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 50 117.503 7.004 0.999 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.877 6.505 1.423 1.00 0.00 H new ATOM 788 N TYR A 51 116.180 -0.606 2.655 1.00 0.00 N ATOM 789 CA TYR A 51 115.477 -1.702 3.299 1.00 0.00 C ATOM 790 C TYR A 51 115.037 -1.276 4.696 1.00 0.00 C ATOM 791 O TYR A 51 115.838 -1.245 5.635 1.00 0.00 O ATOM 792 CB TYR A 51 116.377 -2.938 3.371 1.00 0.00 C ATOM 793 CG TYR A 51 115.634 -4.229 3.646 1.00 0.00 C ATOM 794 CD1 TYR A 51 115.325 -4.619 4.944 1.00 0.00 C ATOM 795 CD2 TYR A 51 115.249 -5.062 2.602 1.00 0.00 C ATOM 796 CE1 TYR A 51 114.658 -5.803 5.192 1.00 0.00 C ATOM 797 CE2 TYR A 51 114.579 -6.246 2.844 1.00 0.00 C ATOM 798 CZ TYR A 51 114.285 -6.611 4.141 1.00 0.00 C ATOM 799 OH TYR A 51 113.623 -7.791 4.388 1.00 0.00 O ATOM 0 H TYR A 51 117.188 -0.605 2.809 1.00 0.00 H new ATOM 0 HA TYR A 51 114.594 -1.957 2.713 1.00 0.00 H new ATOM 0 HB2 TYR A 51 116.918 -3.036 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 51 117.122 -2.787 4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 51 115.611 -3.986 5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 51 115.477 -4.779 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 51 114.430 -6.094 6.207 1.00 0.00 H new ATOM 0 HE2 TYR A 51 114.287 -6.882 2.022 1.00 0.00 H new ATOM 0 HH TYR A 51 113.317 -7.806 5.319 1.00 0.00 H new ATOM 809 N TYR A 52 113.767 -0.931 4.814 1.00 0.00 N ATOM 810 CA TYR A 52 113.211 -0.418 6.054 1.00 0.00 C ATOM 811 C TYR A 52 112.387 -1.498 6.747 1.00 0.00 C ATOM 812 O TYR A 52 111.428 -2.017 6.175 1.00 0.00 O ATOM 813 CB TYR A 52 112.347 0.806 5.726 1.00 0.00 C ATOM 814 CG TYR A 52 111.731 1.522 6.911 1.00 0.00 C ATOM 815 CD1 TYR A 52 110.505 1.125 7.434 1.00 0.00 C ATOM 816 CD2 TYR A 52 112.360 2.620 7.481 1.00 0.00 C ATOM 817 CE1 TYR A 52 109.927 1.805 8.491 1.00 0.00 C ATOM 818 CE2 TYR A 52 111.792 3.299 8.541 1.00 0.00 C ATOM 819 CZ TYR A 52 110.575 2.889 9.039 1.00 0.00 C ATOM 820 OH TYR A 52 110.003 3.572 10.087 1.00 0.00 O ATOM 0 H TYR A 52 113.092 -0.999 4.053 1.00 0.00 H new ATOM 0 HA TYR A 52 114.011 -0.126 6.734 1.00 0.00 H new ATOM 0 HB2 TYR A 52 112.958 1.520 5.173 1.00 0.00 H new ATOM 0 HB3 TYR A 52 111.544 0.491 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 52 109.996 0.273 7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 52 113.311 2.949 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 52 108.973 1.487 8.884 1.00 0.00 H new ATOM 0 HE2 TYR A 52 112.299 4.147 8.977 1.00 0.00 H new ATOM 0 HH TYR A 52 109.144 3.160 10.316 1.00 0.00 H new ATOM 830 N HIS A 53 112.771 -1.847 7.966 1.00 0.00 N ATOM 831 CA HIS A 53 112.036 -2.845 8.732 1.00 0.00 C ATOM 832 C HIS A 53 110.862 -2.205 9.451 1.00 0.00 C ATOM 833 O HIS A 53 111.039 -1.547 10.468 1.00 0.00 O ATOM 834 CB HIS A 53 112.949 -3.554 9.740 1.00 0.00 C ATOM 835 CG HIS A 53 113.510 -4.848 9.229 1.00 0.00 C ATOM 836 ND1 HIS A 53 114.670 -5.420 9.709 1.00 0.00 N ATOM 837 CD2 HIS A 53 113.038 -5.699 8.289 1.00 0.00 C ATOM 838 CE1 HIS A 53 114.883 -6.565 9.085 1.00 0.00 C ATOM 839 NE2 HIS A 53 113.906 -6.758 8.218 1.00 0.00 N ATOM 0 H HIS A 53 113.583 -1.457 8.445 1.00 0.00 H new ATOM 0 HA HIS A 53 111.658 -3.590 8.032 1.00 0.00 H new ATOM 0 HB2 HIS A 53 113.771 -2.889 10.004 1.00 0.00 H new ATOM 0 HB3 HIS A 53 112.388 -3.746 10.655 1.00 0.00 H new ATOM 0 HD1 HIS A 53 115.269 -5.022 10.432 1.00 0.00 H new ATOM 0 HD2 HIS A 53 112.141 -5.568 7.702 1.00 0.00 H new ATOM 0 HE1 HIS A 53 115.716 -7.231 9.255 1.00 0.00 H new ATOM 848 N SER A 54 109.668 -2.394 8.914 1.00 0.00 N ATOM 849 CA SER A 54 108.474 -1.787 9.479 1.00 0.00 C ATOM 850 C SER A 54 107.995 -2.553 10.711 1.00 0.00 C ATOM 851 O SER A 54 108.395 -3.702 10.931 1.00 0.00 O ATOM 852 CB SER A 54 107.373 -1.720 8.416 1.00 0.00 C ATOM 853 OG SER A 54 107.240 -2.957 7.736 1.00 0.00 O ATOM 0 H SER A 54 109.500 -2.964 8.085 1.00 0.00 H new ATOM 0 HA SER A 54 108.718 -0.774 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 54 106.426 -1.457 8.886 1.00 0.00 H new ATOM 0 HB3 SER A 54 107.603 -0.931 7.700 1.00 0.00 H new ATOM 0 HG SER A 54 106.530 -2.887 7.065 1.00 0.00 H new ATOM 859 N ASN A 55 107.145 -1.901 11.504 1.00 0.00 N ATOM 860 CA ASN A 55 106.588 -2.476 12.733 1.00 0.00 C ATOM 861 C ASN A 55 107.673 -2.732 13.780 1.00 0.00 C ATOM 862 O ASN A 55 107.881 -1.910 14.674 1.00 0.00 O ATOM 863 CB ASN A 55 105.804 -3.759 12.430 1.00 0.00 C ATOM 864 CG ASN A 55 105.301 -4.464 13.677 1.00 0.00 C ATOM 865 OD1 ASN A 55 105.050 -3.843 14.711 1.00 0.00 O ATOM 866 ND2 ASN A 55 105.136 -5.769 13.577 1.00 0.00 N ATOM 0 H ASN A 55 106.820 -0.953 11.313 1.00 0.00 H new ATOM 0 HA ASN A 55 105.897 -1.745 13.152 1.00 0.00 H new ATOM 0 HB2 ASN A 55 104.955 -3.515 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 55 106.441 -4.441 11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.789 -6.302 14.374 1.00 0.00 H new ATOM 0 HD22 ASN A 55 105.356 -6.245 12.702 1.00 0.00 H new ATOM 873 N GLU A 56 108.375 -3.850 13.666 1.00 0.00 N ATOM 874 CA GLU A 56 109.382 -4.208 14.653 1.00 0.00 C ATOM 875 C GLU A 56 110.741 -3.626 14.275 1.00 0.00 C ATOM 876 O GLU A 56 111.578 -4.292 13.667 1.00 0.00 O ATOM 877 CB GLU A 56 109.459 -5.731 14.826 1.00 0.00 C ATOM 878 CG GLU A 56 108.166 -6.340 15.350 1.00 0.00 C ATOM 879 CD GLU A 56 108.291 -7.815 15.683 1.00 0.00 C ATOM 880 OE1 GLU A 56 108.969 -8.145 16.676 1.00 0.00 O ATOM 881 OE2 GLU A 56 107.685 -8.648 14.977 1.00 0.00 O ATOM 0 H GLU A 56 108.267 -4.521 12.905 1.00 0.00 H new ATOM 0 HA GLU A 56 109.089 -3.778 15.611 1.00 0.00 H new ATOM 0 HB2 GLU A 56 109.706 -6.187 13.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 110.271 -5.972 15.512 1.00 0.00 H new ATOM 0 HG2 GLU A 56 107.852 -5.798 16.242 1.00 0.00 H new ATOM 0 HG3 GLU A 56 107.382 -6.208 14.605 1.00 0.00 H new ATOM 888 N GLY A 57 110.933 -2.358 14.611 1.00 0.00 N ATOM 889 CA GLY A 57 112.188 -1.687 14.340 1.00 0.00 C ATOM 890 C GLY A 57 111.972 -0.267 13.866 1.00 0.00 C ATOM 891 O GLY A 57 112.311 0.690 14.568 1.00 0.00 O ATOM 0 H GLY A 57 110.233 -1.777 15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 57 112.799 -1.680 15.242 1.00 0.00 H new ATOM 0 HA3 GLY A 57 112.742 -2.243 13.584 1.00 0.00 H new ATOM 895 N LYS A 58 111.389 -0.147 12.677 1.00 0.00 N ATOM 896 CA LYS A 58 111.101 1.140 12.055 1.00 0.00 C ATOM 897 C LYS A 58 112.391 1.907 11.793 1.00 0.00 C ATOM 898 O LYS A 58 112.523 3.090 12.125 1.00 0.00 O ATOM 899 CB LYS A 58 110.115 1.943 12.909 1.00 0.00 C ATOM 900 CG LYS A 58 108.788 1.219 13.085 1.00 0.00 C ATOM 901 CD LYS A 58 107.787 2.019 13.895 1.00 0.00 C ATOM 902 CE LYS A 58 107.346 3.280 13.172 1.00 0.00 C ATOM 903 NZ LYS A 58 106.171 3.901 13.834 1.00 0.00 N ATOM 0 H LYS A 58 111.101 -0.947 12.114 1.00 0.00 H new ATOM 0 HA LYS A 58 110.625 0.968 11.090 1.00 0.00 H new ATOM 0 HB2 LYS A 58 110.556 2.134 13.887 1.00 0.00 H new ATOM 0 HB3 LYS A 58 109.939 2.913 12.444 1.00 0.00 H new ATOM 0 HG2 LYS A 58 108.365 1.002 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 58 108.964 0.262 13.576 1.00 0.00 H new ATOM 0 HD2 LYS A 58 106.916 1.400 14.108 1.00 0.00 H new ATOM 0 HD3 LYS A 58 108.229 2.287 14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 58 108.170 3.993 13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 58 107.099 3.041 12.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 105.895 4.760 13.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 105.378 3.228 13.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 106.416 4.151 14.813 1.00 0.00 H new ATOM 917 N GLU A 59 113.331 1.211 11.168 1.00 0.00 N ATOM 918 CA GLU A 59 114.627 1.775 10.841 1.00 0.00 C ATOM 919 C GLU A 59 115.189 1.130 9.575 1.00 0.00 C ATOM 920 O GLU A 59 114.897 -0.034 9.273 1.00 0.00 O ATOM 921 CB GLU A 59 115.587 1.600 12.024 1.00 0.00 C ATOM 922 CG GLU A 59 115.686 0.172 12.539 1.00 0.00 C ATOM 923 CD GLU A 59 116.236 0.103 13.951 1.00 0.00 C ATOM 924 OE1 GLU A 59 117.453 0.297 14.134 1.00 0.00 O ATOM 925 OE2 GLU A 59 115.446 -0.141 14.891 1.00 0.00 O ATOM 0 H GLU A 59 113.214 0.241 10.875 1.00 0.00 H new ATOM 0 HA GLU A 59 114.511 2.841 10.647 1.00 0.00 H new ATOM 0 HB2 GLU A 59 116.580 1.936 11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 59 115.263 2.247 12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 59 114.699 -0.290 12.514 1.00 0.00 H new ATOM 0 HG3 GLU A 59 116.326 -0.408 11.874 1.00 0.00 H new ATOM 932 N ILE A 60 115.958 1.905 8.822 1.00 0.00 N ATOM 933 CA ILE A 60 116.588 1.426 7.597 1.00 0.00 C ATOM 934 C ILE A 60 117.886 0.705 7.926 1.00 0.00 C ATOM 935 O ILE A 60 118.813 1.305 8.465 1.00 0.00 O ATOM 936 CB ILE A 60 116.892 2.588 6.632 1.00 0.00 C ATOM 937 CG1 ILE A 60 115.613 3.365 6.311 1.00 0.00 C ATOM 938 CG2 ILE A 60 117.536 2.060 5.356 1.00 0.00 C ATOM 939 CD1 ILE A 60 115.846 4.608 5.479 1.00 0.00 C ATOM 0 H ILE A 60 116.163 2.880 9.041 1.00 0.00 H new ATOM 0 HA ILE A 60 115.892 0.741 7.113 1.00 0.00 H new ATOM 0 HB ILE A 60 117.593 3.269 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 60 114.923 2.708 5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 60 115.128 3.650 7.245 1.00 0.00 H new ATOM 0 HG21 ILE A 60 117.745 2.892 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A 60 118.467 1.549 5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 60 116.857 1.361 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 60 114.894 5.105 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 60 116.510 5.286 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 60 116.302 4.330 4.529 1.00 0.00 H new ATOM 951 N VAL A 61 117.960 -0.572 7.592 1.00 0.00 N ATOM 952 CA VAL A 61 119.107 -1.383 7.988 1.00 0.00 C ATOM 953 C VAL A 61 120.091 -1.620 6.843 1.00 0.00 C ATOM 954 O VAL A 61 121.280 -1.843 7.079 1.00 0.00 O ATOM 955 CB VAL A 61 118.663 -2.744 8.570 1.00 0.00 C ATOM 956 CG1 VAL A 61 117.905 -2.543 9.872 1.00 0.00 C ATOM 957 CG2 VAL A 61 117.806 -3.512 7.573 1.00 0.00 C ATOM 0 H VAL A 61 117.250 -1.069 7.054 1.00 0.00 H new ATOM 0 HA VAL A 61 119.621 -0.808 8.759 1.00 0.00 H new ATOM 0 HB VAL A 61 119.558 -3.332 8.772 1.00 0.00 H new ATOM 0 HG11 VAL A 61 117.600 -3.511 10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 61 118.549 -2.042 10.594 1.00 0.00 H new ATOM 0 HG13 VAL A 61 117.022 -1.931 9.688 1.00 0.00 H new ATOM 0 HG21 VAL A 61 117.508 -4.466 8.008 1.00 0.00 H new ATOM 0 HG22 VAL A 61 116.917 -2.929 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 61 118.379 -3.692 6.663 1.00 0.00 H new ATOM 967 N GLY A 62 119.618 -1.564 5.608 1.00 0.00 N ATOM 968 CA GLY A 62 120.499 -1.849 4.493 1.00 0.00 C ATOM 969 C GLY A 62 119.984 -1.333 3.172 1.00 0.00 C ATOM 970 O GLY A 62 118.907 -0.739 3.101 1.00 0.00 O ATOM 0 H GLY A 62 118.657 -1.331 5.359 1.00 0.00 H new ATOM 0 HA2 GLY A 62 121.476 -1.408 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 62 120.644 -2.927 4.421 1.00 0.00 H new ATOM 974 N ILE A 63 120.765 -1.564 2.129 1.00 0.00 N ATOM 975 CA ILE A 63 120.427 -1.140 0.781 1.00 0.00 C ATOM 976 C ILE A 63 120.104 -2.347 -0.097 1.00 0.00 C ATOM 977 O ILE A 63 120.862 -3.321 -0.135 1.00 0.00 O ATOM 978 CB ILE A 63 121.597 -0.349 0.155 1.00 0.00 C ATOM 979 CG1 ILE A 63 121.844 0.943 0.942 1.00 0.00 C ATOM 980 CG2 ILE A 63 121.330 -0.051 -1.317 1.00 0.00 C ATOM 981 CD1 ILE A 63 123.099 1.679 0.525 1.00 0.00 C ATOM 0 H ILE A 63 121.657 -2.054 2.195 1.00 0.00 H new ATOM 0 HA ILE A 63 119.549 -0.497 0.840 1.00 0.00 H new ATOM 0 HB ILE A 63 122.496 -0.963 0.209 1.00 0.00 H new ATOM 0 HG12 ILE A 63 120.987 1.604 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 63 121.909 0.705 2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 63 122.169 0.507 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 63 121.210 -0.987 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 63 120.419 0.541 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 63 123.207 2.582 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 63 123.966 1.036 0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 63 123.029 1.950 -0.529 1.00 0.00 H new ATOM 993 N ALA A 64 118.978 -2.280 -0.791 1.00 0.00 N ATOM 994 CA ALA A 64 118.571 -3.335 -1.706 1.00 0.00 C ATOM 995 C ALA A 64 118.705 -2.854 -3.147 1.00 0.00 C ATOM 996 O ALA A 64 118.659 -1.655 -3.411 1.00 0.00 O ATOM 997 CB ALA A 64 117.141 -3.766 -1.416 1.00 0.00 C ATOM 0 H ALA A 64 118.325 -1.498 -0.737 1.00 0.00 H new ATOM 0 HA ALA A 64 119.222 -4.197 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 64 116.851 -4.556 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 64 117.073 -4.138 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 64 116.472 -2.914 -1.537 1.00 0.00 H new ATOM 1003 N GLU A 65 118.876 -3.783 -4.074 1.00 0.00 N ATOM 1004 CA GLU A 65 119.037 -3.432 -5.480 1.00 0.00 C ATOM 1005 C GLU A 65 118.022 -4.182 -6.329 1.00 0.00 C ATOM 1006 O GLU A 65 117.699 -5.338 -6.047 1.00 0.00 O ATOM 1007 CB GLU A 65 120.456 -3.766 -5.946 1.00 0.00 C ATOM 1008 CG GLU A 65 120.832 -3.178 -7.296 1.00 0.00 C ATOM 1009 CD GLU A 65 122.272 -3.474 -7.663 1.00 0.00 C ATOM 1010 OE1 GLU A 65 122.578 -4.637 -7.994 1.00 0.00 O ATOM 1011 OE2 GLU A 65 123.108 -2.548 -7.597 1.00 0.00 O ATOM 0 H GLU A 65 118.907 -4.784 -3.881 1.00 0.00 H new ATOM 0 HA GLU A 65 118.869 -2.361 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 65 121.164 -3.408 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 65 120.563 -4.850 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 65 120.172 -3.582 -8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 65 120.677 -2.099 -7.277 1.00 0.00 H new ATOM 1018 N ILE A 66 117.518 -3.516 -7.357 1.00 0.00 N ATOM 1019 CA ILE A 66 116.585 -4.133 -8.285 1.00 0.00 C ATOM 1020 C ILE A 66 117.358 -4.912 -9.346 1.00 0.00 C ATOM 1021 O ILE A 66 118.137 -4.337 -10.103 1.00 0.00 O ATOM 1022 CB ILE A 66 115.687 -3.077 -8.977 1.00 0.00 C ATOM 1023 CG1 ILE A 66 114.985 -2.197 -7.935 1.00 0.00 C ATOM 1024 CG2 ILE A 66 114.660 -3.751 -9.878 1.00 0.00 C ATOM 1025 CD1 ILE A 66 114.054 -2.960 -7.015 1.00 0.00 C ATOM 0 H ILE A 66 117.741 -2.544 -7.569 1.00 0.00 H new ATOM 0 HA ILE A 66 115.943 -4.806 -7.717 1.00 0.00 H new ATOM 0 HB ILE A 66 116.324 -2.442 -9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 66 115.740 -1.691 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 66 114.417 -1.423 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 66 114.040 -2.992 -10.354 1.00 0.00 H new ATOM 0 HG22 ILE A 66 115.174 -4.333 -10.644 1.00 0.00 H new ATOM 0 HG23 ILE A 66 114.031 -4.412 -9.282 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.596 -2.270 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.276 -3.444 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.620 -3.716 -6.470 1.00 0.00 H new ATOM 1037 N ILE A 67 117.156 -6.221 -9.387 1.00 0.00 N ATOM 1038 CA ILE A 67 117.871 -7.078 -10.328 1.00 0.00 C ATOM 1039 C ILE A 67 116.925 -7.672 -11.363 1.00 0.00 C ATOM 1040 O ILE A 67 117.169 -8.746 -11.907 1.00 0.00 O ATOM 1041 CB ILE A 67 118.623 -8.211 -9.604 1.00 0.00 C ATOM 1042 CG1 ILE A 67 117.702 -8.918 -8.602 1.00 0.00 C ATOM 1043 CG2 ILE A 67 119.859 -7.655 -8.915 1.00 0.00 C ATOM 1044 CD1 ILE A 67 118.365 -10.060 -7.861 1.00 0.00 C ATOM 0 H ILE A 67 116.502 -6.716 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 67 118.600 -6.448 -10.837 1.00 0.00 H new ATOM 0 HB ILE A 67 118.941 -8.950 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 67 117.341 -8.188 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 67 116.829 -9.299 -9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 67 120.385 -8.462 -8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 67 120.518 -7.204 -9.657 1.00 0.00 H new ATOM 0 HG23 ILE A 67 119.561 -6.900 -8.188 1.00 0.00 H new ATOM 0 HD11 ILE A 67 117.651 -10.510 -7.171 1.00 0.00 H new ATOM 0 HD12 ILE A 67 118.701 -10.811 -8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 67 119.221 -9.683 -7.302 1.00 0.00 H new ATOM 1056 N ARG A 68 115.875 -6.933 -11.663 1.00 0.00 N ATOM 1057 CA ARG A 68 114.873 -7.358 -12.629 1.00 0.00 C ATOM 1058 C ARG A 68 113.927 -6.210 -12.922 1.00 0.00 C ATOM 1059 O ARG A 68 113.322 -5.648 -12.012 1.00 0.00 O ATOM 1060 CB ARG A 68 114.089 -8.569 -12.113 1.00 0.00 C ATOM 1061 CG ARG A 68 112.856 -8.916 -12.937 1.00 0.00 C ATOM 1062 CD ARG A 68 113.197 -9.274 -14.380 1.00 0.00 C ATOM 1063 NE ARG A 68 113.993 -10.497 -14.489 1.00 0.00 N ATOM 1064 CZ ARG A 68 113.490 -11.732 -14.365 1.00 0.00 C ATOM 1065 NH1 ARG A 68 112.214 -11.906 -14.041 1.00 0.00 N ATOM 1066 NH2 ARG A 68 114.266 -12.792 -14.557 1.00 0.00 N ATOM 0 H ARG A 68 115.690 -6.021 -11.246 1.00 0.00 H new ATOM 0 HA ARG A 68 115.381 -7.652 -13.547 1.00 0.00 H new ATOM 0 HB2 ARG A 68 114.752 -9.434 -12.091 1.00 0.00 H new ATOM 0 HB3 ARG A 68 113.782 -8.377 -11.085 1.00 0.00 H new ATOM 0 HG2 ARG A 68 112.336 -9.754 -12.472 1.00 0.00 H new ATOM 0 HG3 ARG A 68 112.168 -8.070 -12.929 1.00 0.00 H new ATOM 0 HD2 ARG A 68 112.274 -9.395 -14.947 1.00 0.00 H new ATOM 0 HD3 ARG A 68 113.744 -8.448 -14.835 1.00 0.00 H new ATOM 0 HE ARG A 68 114.992 -10.403 -14.671 1.00 0.00 H new ATOM 0 HH11 ARG A 68 111.612 -11.097 -13.885 1.00 0.00 H new ATOM 0 HH12 ARG A 68 111.835 -12.849 -13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 68 115.249 -12.667 -14.800 1.00 0.00 H new ATOM 0 HH22 ARG A 68 113.879 -13.731 -14.462 1.00 0.00 H new ATOM 1080 N GLU A 69 113.824 -5.860 -14.190 1.00 0.00 N ATOM 1081 CA GLU A 69 112.944 -4.789 -14.620 1.00 0.00 C ATOM 1082 C GLU A 69 111.486 -5.231 -14.507 1.00 0.00 C ATOM 1083 O GLU A 69 111.185 -6.421 -14.631 1.00 0.00 O ATOM 1084 CB GLU A 69 113.313 -4.392 -16.047 1.00 0.00 C ATOM 1085 CG GLU A 69 114.777 -3.994 -16.165 1.00 0.00 C ATOM 1086 CD GLU A 69 115.319 -4.084 -17.574 1.00 0.00 C ATOM 1087 OE1 GLU A 69 115.333 -5.200 -18.132 1.00 0.00 O ATOM 1088 OE2 GLU A 69 115.766 -3.049 -18.112 1.00 0.00 O ATOM 0 H GLU A 69 114.343 -6.306 -14.946 1.00 0.00 H new ATOM 0 HA GLU A 69 113.065 -3.917 -13.978 1.00 0.00 H new ATOM 0 HB2 GLU A 69 113.108 -5.225 -16.720 1.00 0.00 H new ATOM 0 HB3 GLU A 69 112.684 -3.561 -16.367 1.00 0.00 H new ATOM 0 HG2 GLU A 69 114.897 -2.973 -15.803 1.00 0.00 H new ATOM 0 HG3 GLU A 69 115.372 -4.635 -15.514 1.00 0.00 H new ATOM 1095 N ALA A 70 110.601 -4.268 -14.258 1.00 0.00 N ATOM 1096 CA ALA A 70 109.196 -4.543 -13.945 1.00 0.00 C ATOM 1097 C ALA A 70 108.539 -5.499 -14.939 1.00 0.00 C ATOM 1098 O ALA A 70 108.490 -5.238 -16.142 1.00 0.00 O ATOM 1099 CB ALA A 70 108.415 -3.241 -13.887 1.00 0.00 C ATOM 0 H ALA A 70 110.835 -3.275 -14.267 1.00 0.00 H new ATOM 0 HA ALA A 70 109.179 -5.036 -12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 70 107.371 -3.453 -13.654 1.00 0.00 H new ATOM 0 HB2 ALA A 70 108.836 -2.598 -13.114 1.00 0.00 H new ATOM 0 HB3 ALA A 70 108.476 -2.737 -14.851 1.00 0.00 H new ATOM 1105 N TYR A 71 108.041 -6.614 -14.417 1.00 0.00 N ATOM 1106 CA TYR A 71 107.297 -7.578 -15.215 1.00 0.00 C ATOM 1107 C TYR A 71 105.959 -7.870 -14.537 1.00 0.00 C ATOM 1108 O TYR A 71 105.834 -7.682 -13.330 1.00 0.00 O ATOM 1109 CB TYR A 71 108.104 -8.874 -15.400 1.00 0.00 C ATOM 1110 CG TYR A 71 108.350 -9.660 -14.126 1.00 0.00 C ATOM 1111 CD1 TYR A 71 109.428 -9.368 -13.301 1.00 0.00 C ATOM 1112 CD2 TYR A 71 107.506 -10.702 -13.752 1.00 0.00 C ATOM 1113 CE1 TYR A 71 109.660 -10.090 -12.144 1.00 0.00 C ATOM 1114 CE2 TYR A 71 107.733 -11.428 -12.598 1.00 0.00 C ATOM 1115 CZ TYR A 71 108.810 -11.116 -11.796 1.00 0.00 C ATOM 1116 OH TYR A 71 109.041 -11.838 -10.649 1.00 0.00 O ATOM 0 H TYR A 71 108.141 -6.873 -13.436 1.00 0.00 H new ATOM 0 HA TYR A 71 107.115 -7.156 -16.204 1.00 0.00 H new ATOM 0 HB2 TYR A 71 107.579 -9.514 -16.109 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.066 -8.625 -15.848 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.097 -8.563 -13.567 1.00 0.00 H new ATOM 0 HD2 TYR A 71 106.659 -10.948 -14.375 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.505 -9.850 -11.516 1.00 0.00 H new ATOM 0 HE2 TYR A 71 107.070 -12.236 -12.326 1.00 0.00 H new ATOM 0 HH TYR A 71 108.348 -12.524 -10.549 1.00 0.00 H new ATOM 1126 N PRO A 72 104.944 -8.309 -15.298 1.00 0.00 N ATOM 1127 CA PRO A 72 103.615 -8.613 -14.747 1.00 0.00 C ATOM 1128 C PRO A 72 103.662 -9.665 -13.637 1.00 0.00 C ATOM 1129 O PRO A 72 104.222 -10.750 -13.821 1.00 0.00 O ATOM 1130 CB PRO A 72 102.834 -9.144 -15.953 1.00 0.00 C ATOM 1131 CG PRO A 72 103.552 -8.607 -17.143 1.00 0.00 C ATOM 1132 CD PRO A 72 105.000 -8.535 -16.753 1.00 0.00 C ATOM 0 HA PRO A 72 103.164 -7.735 -14.284 1.00 0.00 H new ATOM 0 HB2 PRO A 72 102.815 -10.234 -15.962 1.00 0.00 H new ATOM 0 HB3 PRO A 72 101.798 -8.807 -15.932 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.412 -9.255 -18.008 1.00 0.00 H new ATOM 0 HG3 PRO A 72 103.172 -7.623 -17.417 1.00 0.00 H new ATOM 0 HD2 PRO A 72 105.530 -9.456 -16.998 1.00 0.00 H new ATOM 0 HD3 PRO A 72 105.516 -7.724 -17.267 1.00 0.00 H new ATOM 1140 N ASP A 73 103.065 -9.330 -12.495 1.00 0.00 N ATOM 1141 CA ASP A 73 103.027 -10.220 -11.335 1.00 0.00 C ATOM 1142 C ASP A 73 102.379 -11.547 -11.715 1.00 0.00 C ATOM 1143 O ASP A 73 101.307 -11.567 -12.325 1.00 0.00 O ATOM 1144 CB ASP A 73 102.241 -9.565 -10.186 1.00 0.00 C ATOM 1145 CG ASP A 73 102.312 -10.340 -8.874 1.00 0.00 C ATOM 1146 OD1 ASP A 73 102.053 -11.564 -8.878 1.00 0.00 O ATOM 1147 OD2 ASP A 73 102.602 -9.719 -7.829 1.00 0.00 O ATOM 0 H ASP A 73 102.595 -8.437 -12.347 1.00 0.00 H new ATOM 0 HA ASP A 73 104.049 -10.404 -11.003 1.00 0.00 H new ATOM 0 HB2 ASP A 73 102.624 -8.558 -10.024 1.00 0.00 H new ATOM 0 HB3 ASP A 73 101.197 -9.465 -10.483 1.00 0.00 H new ATOM 1152 N PRO A 74 103.036 -12.669 -11.381 1.00 0.00 N ATOM 1153 CA PRO A 74 102.534 -14.016 -11.680 1.00 0.00 C ATOM 1154 C PRO A 74 101.090 -14.249 -11.222 1.00 0.00 C ATOM 1155 O PRO A 74 100.369 -15.043 -11.827 1.00 0.00 O ATOM 1156 CB PRO A 74 103.488 -14.928 -10.908 1.00 0.00 C ATOM 1157 CG PRO A 74 104.753 -14.150 -10.803 1.00 0.00 C ATOM 1158 CD PRO A 74 104.342 -12.709 -10.696 1.00 0.00 C ATOM 0 HA PRO A 74 102.509 -14.196 -12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 74 103.091 -15.173 -9.923 1.00 0.00 H new ATOM 0 HB3 PRO A 74 103.645 -15.871 -11.432 1.00 0.00 H new ATOM 0 HG2 PRO A 74 105.330 -14.458 -9.931 1.00 0.00 H new ATOM 0 HG3 PRO A 74 105.385 -14.312 -11.676 1.00 0.00 H new ATOM 0 HD2 PRO A 74 104.259 -12.392 -9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 74 105.066 -12.049 -11.174 1.00 0.00 H new ATOM 1166 N THR A 75 100.661 -13.550 -10.173 1.00 0.00 N ATOM 1167 CA THR A 75 99.323 -13.758 -9.626 1.00 0.00 C ATOM 1168 C THR A 75 98.252 -13.109 -10.507 1.00 0.00 C ATOM 1169 O THR A 75 97.071 -13.451 -10.412 1.00 0.00 O ATOM 1170 CB THR A 75 99.195 -13.214 -8.180 1.00 0.00 C ATOM 1171 OG1 THR A 75 98.009 -13.736 -7.562 1.00 0.00 O ATOM 1172 CG2 THR A 75 99.131 -11.693 -8.153 1.00 0.00 C ATOM 0 H THR A 75 101.214 -12.842 -9.690 1.00 0.00 H new ATOM 0 HA THR A 75 99.165 -14.836 -9.606 1.00 0.00 H new ATOM 0 HB THR A 75 100.082 -13.535 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 75 97.303 -13.828 -8.235 1.00 0.00 H new ATOM 0 HG21 THR A 75 99.042 -11.351 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 75 100.039 -11.283 -8.594 1.00 0.00 H new ATOM 0 HG23 THR A 75 98.266 -11.355 -8.724 1.00 0.00 H new ATOM 1180 N ASP A 76 98.661 -12.185 -11.367 1.00 0.00 N ATOM 1181 CA ASP A 76 97.714 -11.459 -12.200 1.00 0.00 C ATOM 1182 C ASP A 76 97.768 -11.934 -13.645 1.00 0.00 C ATOM 1183 O ASP A 76 98.823 -11.924 -14.279 1.00 0.00 O ATOM 1184 CB ASP A 76 97.974 -9.956 -12.137 1.00 0.00 C ATOM 1185 CG ASP A 76 97.050 -9.176 -13.051 1.00 0.00 C ATOM 1186 OD1 ASP A 76 95.860 -9.544 -13.158 1.00 0.00 O ATOM 1187 OD2 ASP A 76 97.507 -8.195 -13.669 1.00 0.00 O ATOM 0 H ASP A 76 99.637 -11.922 -11.505 1.00 0.00 H new ATOM 0 HA ASP A 76 96.717 -11.661 -11.809 1.00 0.00 H new ATOM 0 HB2 ASP A 76 97.845 -9.609 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 76 99.009 -9.756 -12.413 1.00 0.00 H new ATOM 1192 N ALA A 77 96.623 -12.360 -14.157 1.00 0.00 N ATOM 1193 CA ALA A 77 96.519 -12.813 -15.537 1.00 0.00 C ATOM 1194 C ALA A 77 96.131 -11.670 -16.470 1.00 0.00 C ATOM 1195 O ALA A 77 96.147 -11.823 -17.693 1.00 0.00 O ATOM 1196 CB ALA A 77 95.522 -13.956 -15.646 1.00 0.00 C ATOM 0 H ALA A 77 95.748 -12.402 -13.635 1.00 0.00 H new ATOM 0 HA ALA A 77 97.500 -13.174 -15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 77 95.456 -14.283 -16.684 1.00 0.00 H new ATOM 0 HB2 ALA A 77 95.852 -14.788 -15.024 1.00 0.00 H new ATOM 0 HB3 ALA A 77 94.542 -13.618 -15.309 1.00 0.00 H new ATOM 1202 N SER A 78 95.783 -10.523 -15.894 1.00 0.00 N ATOM 1203 CA SER A 78 95.363 -9.373 -16.681 1.00 0.00 C ATOM 1204 C SER A 78 96.579 -8.630 -17.236 1.00 0.00 C ATOM 1205 O SER A 78 96.593 -8.221 -18.399 1.00 0.00 O ATOM 1206 CB SER A 78 94.500 -8.433 -15.830 1.00 0.00 C ATOM 1207 OG SER A 78 93.991 -7.355 -16.600 1.00 0.00 O ATOM 0 H SER A 78 95.784 -10.367 -14.886 1.00 0.00 H new ATOM 0 HA SER A 78 94.765 -9.727 -17.521 1.00 0.00 H new ATOM 0 HB2 SER A 78 93.673 -8.992 -15.394 1.00 0.00 H new ATOM 0 HB3 SER A 78 95.092 -8.043 -15.003 1.00 0.00 H new ATOM 0 HG SER A 78 93.011 -7.375 -16.583 1.00 0.00 H new ATOM 1213 N GLY A 79 97.595 -8.456 -16.403 1.00 0.00 N ATOM 1214 CA GLY A 79 98.800 -7.774 -16.836 1.00 0.00 C ATOM 1215 C GLY A 79 98.880 -6.366 -16.293 1.00 0.00 C ATOM 1216 O GLY A 79 99.505 -5.489 -16.894 1.00 0.00 O ATOM 0 H GLY A 79 97.607 -8.775 -15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 79 99.673 -8.339 -16.509 1.00 0.00 H new ATOM 0 HA3 GLY A 79 98.828 -7.745 -17.925 1.00 0.00 H new ATOM 1220 N LYS A 80 98.236 -6.149 -15.158 1.00 0.00 N ATOM 1221 CA LYS A 80 98.237 -4.848 -14.513 1.00 0.00 C ATOM 1222 C LYS A 80 99.214 -4.835 -13.355 1.00 0.00 C ATOM 1223 O LYS A 80 100.026 -3.919 -13.229 1.00 0.00 O ATOM 1224 CB LYS A 80 96.835 -4.483 -14.025 1.00 0.00 C ATOM 1225 CG LYS A 80 95.904 -4.056 -15.145 1.00 0.00 C ATOM 1226 CD LYS A 80 94.476 -3.882 -14.658 1.00 0.00 C ATOM 1227 CE LYS A 80 93.545 -3.535 -15.807 1.00 0.00 C ATOM 1228 NZ LYS A 80 93.495 -4.620 -16.825 1.00 0.00 N ATOM 0 H LYS A 80 97.703 -6.863 -14.662 1.00 0.00 H new ATOM 0 HA LYS A 80 98.550 -4.104 -15.246 1.00 0.00 H new ATOM 0 HB2 LYS A 80 96.403 -5.340 -13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 80 96.910 -3.676 -13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 80 96.258 -3.119 -15.574 1.00 0.00 H new ATOM 0 HG3 LYS A 80 95.928 -4.800 -15.941 1.00 0.00 H new ATOM 0 HD2 LYS A 80 94.138 -4.800 -14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 80 94.439 -3.095 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 80 92.542 -3.353 -15.420 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.878 -2.610 -16.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 92.536 -4.680 -17.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 94.172 -4.413 -17.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 93.742 -5.526 -16.379 1.00 0.00 H new ATOM 1242 N PHE A 81 99.144 -5.854 -12.514 1.00 0.00 N ATOM 1243 CA PHE A 81 100.042 -5.946 -11.374 1.00 0.00 C ATOM 1244 C PHE A 81 101.442 -6.293 -11.851 1.00 0.00 C ATOM 1245 O PHE A 81 101.609 -7.065 -12.796 1.00 0.00 O ATOM 1246 CB PHE A 81 99.544 -6.984 -10.365 1.00 0.00 C ATOM 1247 CG PHE A 81 98.216 -6.636 -9.757 1.00 0.00 C ATOM 1248 CD1 PHE A 81 97.993 -5.379 -9.219 1.00 0.00 C ATOM 1249 CD2 PHE A 81 97.185 -7.562 -9.730 1.00 0.00 C ATOM 1250 CE1 PHE A 81 96.770 -5.053 -8.663 1.00 0.00 C ATOM 1251 CE2 PHE A 81 95.960 -7.241 -9.176 1.00 0.00 C ATOM 1252 CZ PHE A 81 95.753 -5.985 -8.644 1.00 0.00 C ATOM 0 H PHE A 81 98.480 -6.624 -12.598 1.00 0.00 H new ATOM 0 HA PHE A 81 100.066 -4.979 -10.871 1.00 0.00 H new ATOM 0 HB2 PHE A 81 99.466 -7.952 -10.860 1.00 0.00 H new ATOM 0 HB3 PHE A 81 100.282 -7.090 -9.570 1.00 0.00 H new ATOM 0 HD1 PHE A 81 98.785 -4.644 -9.234 1.00 0.00 H new ATOM 0 HD2 PHE A 81 97.341 -8.546 -10.147 1.00 0.00 H new ATOM 0 HE1 PHE A 81 96.611 -4.070 -8.244 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.166 -7.973 -9.160 1.00 0.00 H new ATOM 0 HZ PHE A 81 94.796 -5.732 -8.213 1.00 0.00 H new ATOM 1262 N VAL A 82 102.439 -5.707 -11.215 1.00 0.00 N ATOM 1263 CA VAL A 82 103.820 -5.897 -11.623 1.00 0.00 C ATOM 1264 C VAL A 82 104.667 -6.359 -10.449 1.00 0.00 C ATOM 1265 O VAL A 82 104.249 -6.262 -9.300 1.00 0.00 O ATOM 1266 CB VAL A 82 104.421 -4.607 -12.222 1.00 0.00 C ATOM 1267 CG1 VAL A 82 103.805 -4.310 -13.581 1.00 0.00 C ATOM 1268 CG2 VAL A 82 104.217 -3.431 -11.279 1.00 0.00 C ATOM 0 H VAL A 82 102.318 -5.092 -10.410 1.00 0.00 H new ATOM 0 HA VAL A 82 103.825 -6.666 -12.396 1.00 0.00 H new ATOM 0 HB VAL A 82 105.492 -4.760 -12.354 1.00 0.00 H new ATOM 0 HG11 VAL A 82 104.241 -3.397 -13.987 1.00 0.00 H new ATOM 0 HG12 VAL A 82 104.003 -5.140 -14.260 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.728 -4.180 -13.472 1.00 0.00 H new ATOM 0 HG21 VAL A 82 104.648 -2.532 -11.720 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.151 -3.279 -11.113 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.706 -3.639 -10.327 1.00 0.00 H new ATOM 1278 N CYS A 83 105.848 -6.869 -10.748 1.00 0.00 N ATOM 1279 CA CYS A 83 106.746 -7.373 -9.731 1.00 0.00 C ATOM 1280 C CYS A 83 108.193 -7.085 -10.106 1.00 0.00 C ATOM 1281 O CYS A 83 108.528 -6.978 -11.290 1.00 0.00 O ATOM 1282 CB CYS A 83 106.540 -8.878 -9.555 1.00 0.00 C ATOM 1283 SG CYS A 83 107.642 -9.639 -8.340 1.00 0.00 S ATOM 0 H CYS A 83 106.208 -6.944 -11.699 1.00 0.00 H new ATOM 0 HA CYS A 83 106.526 -6.869 -8.790 1.00 0.00 H new ATOM 0 HB2 CYS A 83 105.507 -9.060 -9.257 1.00 0.00 H new ATOM 0 HB3 CYS A 83 106.685 -9.368 -10.518 1.00 0.00 H new ATOM 0 HG CYS A 83 108.433 -10.480 -8.938 1.00 0.00 H new ATOM 1289 N VAL A 84 109.036 -6.948 -9.092 1.00 0.00 N ATOM 1290 CA VAL A 84 110.462 -6.746 -9.290 1.00 0.00 C ATOM 1291 C VAL A 84 111.256 -7.649 -8.354 1.00 0.00 C ATOM 1292 O VAL A 84 110.797 -7.979 -7.255 1.00 0.00 O ATOM 1293 CB VAL A 84 110.880 -5.273 -9.055 1.00 0.00 C ATOM 1294 CG1 VAL A 84 110.274 -4.359 -10.110 1.00 0.00 C ATOM 1295 CG2 VAL A 84 110.478 -4.811 -7.662 1.00 0.00 C ATOM 0 H VAL A 84 108.751 -6.974 -8.113 1.00 0.00 H new ATOM 0 HA VAL A 84 110.681 -6.998 -10.328 1.00 0.00 H new ATOM 0 HB VAL A 84 111.966 -5.219 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 84 110.583 -3.331 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 84 110.617 -4.666 -11.098 1.00 0.00 H new ATOM 0 HG13 VAL A 84 109.187 -4.425 -10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 84 110.782 -3.774 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 84 109.397 -4.891 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.967 -5.437 -6.916 1.00 0.00 H new ATOM 1305 N ASP A 85 112.430 -8.068 -8.800 1.00 0.00 N ATOM 1306 CA ASP A 85 113.315 -8.879 -7.977 1.00 0.00 C ATOM 1307 C ASP A 85 114.254 -7.986 -7.183 1.00 0.00 C ATOM 1308 O ASP A 85 115.075 -7.267 -7.760 1.00 0.00 O ATOM 1309 CB ASP A 85 114.138 -9.849 -8.833 1.00 0.00 C ATOM 1310 CG ASP A 85 113.342 -11.040 -9.322 1.00 0.00 C ATOM 1311 OD1 ASP A 85 112.546 -10.886 -10.270 1.00 0.00 O ATOM 1312 OD2 ASP A 85 113.527 -12.145 -8.768 1.00 0.00 O ATOM 0 H ASP A 85 112.793 -7.859 -9.730 1.00 0.00 H new ATOM 0 HA ASP A 85 112.695 -9.460 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 85 114.541 -9.312 -9.692 1.00 0.00 H new ATOM 0 HB3 ASP A 85 114.989 -10.204 -8.251 1.00 0.00 H new ATOM 1317 N ILE A 86 114.129 -8.025 -5.866 1.00 0.00 N ATOM 1318 CA ILE A 86 114.991 -7.234 -5.001 1.00 0.00 C ATOM 1319 C ILE A 86 116.013 -8.126 -4.312 1.00 0.00 C ATOM 1320 O ILE A 86 115.706 -9.257 -3.930 1.00 0.00 O ATOM 1321 CB ILE A 86 114.191 -6.457 -3.927 1.00 0.00 C ATOM 1322 CG1 ILE A 86 113.441 -7.420 -3.000 1.00 0.00 C ATOM 1323 CG2 ILE A 86 113.215 -5.493 -4.588 1.00 0.00 C ATOM 1324 CD1 ILE A 86 112.777 -6.738 -1.822 1.00 0.00 C ATOM 0 H ILE A 86 113.441 -8.594 -5.373 1.00 0.00 H new ATOM 0 HA ILE A 86 115.496 -6.509 -5.639 1.00 0.00 H new ATOM 0 HB ILE A 86 114.897 -5.885 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 86 112.683 -7.949 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 86 114.139 -8.170 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 86 112.660 -4.954 -3.820 1.00 0.00 H new ATOM 0 HG22 ILE A 86 113.766 -4.782 -5.204 1.00 0.00 H new ATOM 0 HG23 ILE A 86 112.519 -6.052 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 86 112.266 -7.482 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 86 113.533 -6.232 -1.221 1.00 0.00 H new ATOM 0 HD13 ILE A 86 112.054 -6.008 -2.185 1.00 0.00 H new ATOM 1336 N LYS A 87 117.228 -7.628 -4.175 1.00 0.00 N ATOM 1337 CA LYS A 87 118.274 -8.365 -3.484 1.00 0.00 C ATOM 1338 C LYS A 87 118.997 -7.456 -2.506 1.00 0.00 C ATOM 1339 O LYS A 87 119.063 -6.242 -2.711 1.00 0.00 O ATOM 1340 CB LYS A 87 119.292 -8.937 -4.475 1.00 0.00 C ATOM 1341 CG LYS A 87 120.199 -7.881 -5.092 1.00 0.00 C ATOM 1342 CD LYS A 87 121.347 -8.503 -5.869 1.00 0.00 C ATOM 1343 CE LYS A 87 122.349 -7.449 -6.315 1.00 0.00 C ATOM 1344 NZ LYS A 87 123.000 -6.785 -5.156 1.00 0.00 N ATOM 0 H LYS A 87 117.516 -6.717 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 87 117.801 -9.187 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 87 119.906 -9.679 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 87 118.759 -9.457 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 87 119.615 -7.244 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 87 120.598 -7.241 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 87 121.849 -9.245 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 87 120.956 -9.028 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 87 123.110 -7.913 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 87 121.843 -6.701 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 123.812 -6.226 -5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 122.316 -6.158 -4.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 123.328 -7.506 -4.482 1.00 0.00 H new ATOM 1358 N ALA A 88 119.529 -8.040 -1.445 1.00 0.00 N ATOM 1359 CA ALA A 88 120.406 -7.313 -0.546 1.00 0.00 C ATOM 1360 C ALA A 88 121.697 -6.960 -1.269 1.00 0.00 C ATOM 1361 O ALA A 88 122.208 -7.753 -2.065 1.00 0.00 O ATOM 1362 CB ALA A 88 120.698 -8.136 0.699 1.00 0.00 C ATOM 0 H ALA A 88 119.369 -9.014 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 88 119.911 -6.394 -0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 88 121.357 -7.574 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 88 119.765 -8.355 1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 88 121.182 -9.070 0.413 1.00 0.00 H new ATOM 1368 N ASP A 89 122.210 -5.767 -1.032 1.00 0.00 N ATOM 1369 CA ASP A 89 123.436 -5.348 -1.689 1.00 0.00 C ATOM 1370 C ASP A 89 124.472 -4.891 -0.675 1.00 0.00 C ATOM 1371 O ASP A 89 125.538 -5.491 -0.556 1.00 0.00 O ATOM 1372 CB ASP A 89 123.157 -4.233 -2.698 1.00 0.00 C ATOM 1373 CG ASP A 89 124.372 -3.919 -3.547 1.00 0.00 C ATOM 1374 OD1 ASP A 89 124.647 -4.689 -4.494 1.00 0.00 O ATOM 1375 OD2 ASP A 89 125.052 -2.910 -3.277 1.00 0.00 O ATOM 0 H ASP A 89 121.804 -5.078 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 89 123.837 -6.209 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 89 122.330 -4.527 -3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 89 122.843 -3.334 -2.167 1.00 0.00 H new ATOM 1380 N LYS A 90 124.148 -3.845 0.067 1.00 0.00 N ATOM 1381 CA LYS A 90 125.093 -3.257 1.003 1.00 0.00 C ATOM 1382 C LYS A 90 124.360 -2.715 2.224 1.00 0.00 C ATOM 1383 O LYS A 90 123.488 -1.864 2.097 1.00 0.00 O ATOM 1384 CB LYS A 90 125.873 -2.146 0.298 1.00 0.00 C ATOM 1385 CG LYS A 90 126.927 -1.466 1.156 1.00 0.00 C ATOM 1386 CD LYS A 90 127.747 -0.488 0.327 1.00 0.00 C ATOM 1387 CE LYS A 90 126.859 0.548 -0.347 1.00 0.00 C ATOM 1388 NZ LYS A 90 127.567 1.280 -1.429 1.00 0.00 N ATOM 0 H LYS A 90 123.238 -3.385 0.040 1.00 0.00 H new ATOM 0 HA LYS A 90 125.792 -4.020 1.344 1.00 0.00 H new ATOM 0 HB2 LYS A 90 126.357 -2.565 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 90 125.168 -1.392 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 90 126.447 -0.938 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 90 127.583 -2.216 1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 90 128.473 0.014 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 90 128.311 -1.033 -0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 90 125.979 0.055 -0.760 1.00 0.00 H new ATOM 0 HE3 LYS A 90 126.505 1.260 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 126.922 1.974 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 128.392 1.773 -1.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 127.883 0.606 -2.155 1.00 0.00 H new ATOM 1402 N PRO A 91 124.687 -3.221 3.420 1.00 0.00 N ATOM 1403 CA PRO A 91 124.044 -2.799 4.661 1.00 0.00 C ATOM 1404 C PRO A 91 124.611 -1.487 5.194 1.00 0.00 C ATOM 1405 O PRO A 91 125.714 -1.078 4.829 1.00 0.00 O ATOM 1406 CB PRO A 91 124.347 -3.943 5.642 1.00 0.00 C ATOM 1407 CG PRO A 91 125.142 -4.956 4.874 1.00 0.00 C ATOM 1408 CD PRO A 91 125.696 -4.248 3.671 1.00 0.00 C ATOM 0 HA PRO A 91 122.979 -2.616 4.516 1.00 0.00 H new ATOM 0 HB2 PRO A 91 124.909 -3.579 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 91 123.425 -4.381 6.025 1.00 0.00 H new ATOM 0 HG2 PRO A 91 125.946 -5.363 5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 91 124.514 -5.795 4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 91 126.676 -3.815 3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 91 125.812 -4.921 2.821 1.00 0.00 H new ATOM 1416 N LEU A 92 123.848 -0.838 6.059 1.00 0.00 N ATOM 1417 CA LEU A 92 124.282 0.400 6.681 1.00 0.00 C ATOM 1418 C LEU A 92 124.974 0.100 8.002 1.00 0.00 C ATOM 1419 O LEU A 92 124.726 -0.940 8.613 1.00 0.00 O ATOM 1420 CB LEU A 92 123.086 1.331 6.902 1.00 0.00 C ATOM 1421 CG LEU A 92 122.440 1.870 5.625 1.00 0.00 C ATOM 1422 CD1 LEU A 92 121.269 2.776 5.964 1.00 0.00 C ATOM 1423 CD2 LEU A 92 123.463 2.616 4.779 1.00 0.00 C ATOM 0 H LEU A 92 122.921 -1.151 6.347 1.00 0.00 H new ATOM 0 HA LEU A 92 124.989 0.900 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 92 122.329 0.795 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 92 123.410 2.175 7.511 1.00 0.00 H new ATOM 0 HG LEU A 92 122.068 1.025 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 92 120.821 3.151 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 92 120.525 2.213 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 92 121.620 3.615 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 92 122.983 2.991 3.875 1.00 0.00 H new ATOM 0 HD22 LEU A 92 123.867 3.452 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 92 124.272 1.939 4.506 1.00 0.00 H new ATOM 1435 N LYS A 93 125.851 0.995 8.437 1.00 0.00 N ATOM 1436 CA LYS A 93 126.585 0.789 9.683 1.00 0.00 C ATOM 1437 C LYS A 93 125.808 1.347 10.867 1.00 0.00 C ATOM 1438 O LYS A 93 126.066 0.997 12.020 1.00 0.00 O ATOM 1439 CB LYS A 93 127.984 1.412 9.611 1.00 0.00 C ATOM 1440 CG LYS A 93 129.003 0.547 8.879 1.00 0.00 C ATOM 1441 CD LYS A 93 128.662 0.380 7.407 1.00 0.00 C ATOM 1442 CE LYS A 93 129.526 -0.686 6.748 1.00 0.00 C ATOM 1443 NZ LYS A 93 129.320 -2.026 7.363 1.00 0.00 N ATOM 0 H LYS A 93 126.072 1.865 7.952 1.00 0.00 H new ATOM 0 HA LYS A 93 126.703 -0.285 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 93 127.916 2.379 9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 93 128.341 1.600 10.624 1.00 0.00 H new ATOM 0 HG2 LYS A 93 129.992 0.996 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 93 129.052 -0.434 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 93 127.611 0.111 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 93 128.799 1.330 6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 93 129.293 -0.735 5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 93 130.576 -0.405 6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 129.626 -2.764 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 129.878 -2.096 8.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 128.312 -2.155 7.584 1.00 0.00 H new ATOM 1457 N THR A 94 124.864 2.224 10.576 1.00 0.00 N ATOM 1458 CA THR A 94 123.957 2.740 11.583 1.00 0.00 C ATOM 1459 C THR A 94 122.536 2.763 11.026 1.00 0.00 C ATOM 1460 O THR A 94 122.217 3.591 10.171 1.00 0.00 O ATOM 1461 CB THR A 94 124.364 4.159 12.035 1.00 0.00 C ATOM 1462 OG1 THR A 94 125.741 4.162 12.442 1.00 0.00 O ATOM 1463 CG2 THR A 94 123.494 4.635 13.191 1.00 0.00 C ATOM 0 H THR A 94 124.706 2.596 9.640 1.00 0.00 H new ATOM 0 HA THR A 94 124.004 2.084 12.452 1.00 0.00 H new ATOM 0 HB THR A 94 124.225 4.838 11.193 1.00 0.00 H new ATOM 0 HG1 THR A 94 125.996 5.064 12.727 1.00 0.00 H new ATOM 0 HG21 THR A 94 123.802 5.637 13.490 1.00 0.00 H new ATOM 0 HG22 THR A 94 122.450 4.655 12.877 1.00 0.00 H new ATOM 0 HG23 THR A 94 123.606 3.954 14.035 1.00 0.00 H new ATOM 1471 N PRO A 95 121.686 1.821 11.467 1.00 0.00 N ATOM 1472 CA PRO A 95 120.292 1.746 11.026 1.00 0.00 C ATOM 1473 C PRO A 95 119.560 3.066 11.226 1.00 0.00 C ATOM 1474 O PRO A 95 119.454 3.571 12.347 1.00 0.00 O ATOM 1475 CB PRO A 95 119.687 0.654 11.908 1.00 0.00 C ATOM 1476 CG PRO A 95 120.848 -0.185 12.321 1.00 0.00 C ATOM 1477 CD PRO A 95 122.020 0.753 12.425 1.00 0.00 C ATOM 0 HA PRO A 95 120.212 1.531 9.960 1.00 0.00 H new ATOM 0 HB2 PRO A 95 119.179 1.080 12.773 1.00 0.00 H new ATOM 0 HB3 PRO A 95 118.949 0.067 11.361 1.00 0.00 H new ATOM 0 HG2 PRO A 95 120.655 -0.676 13.275 1.00 0.00 H new ATOM 0 HG3 PRO A 95 121.041 -0.971 11.591 1.00 0.00 H new ATOM 0 HD2 PRO A 95 122.135 1.142 13.437 1.00 0.00 H new ATOM 0 HD3 PRO A 95 122.956 0.258 12.165 1.00 0.00 H new ATOM 1485 N VAL A 96 119.067 3.623 10.132 1.00 0.00 N ATOM 1486 CA VAL A 96 118.414 4.918 10.166 1.00 0.00 C ATOM 1487 C VAL A 96 116.970 4.781 10.627 1.00 0.00 C ATOM 1488 O VAL A 96 116.078 4.455 9.841 1.00 0.00 O ATOM 1489 CB VAL A 96 118.462 5.613 8.790 1.00 0.00 C ATOM 1490 CG1 VAL A 96 117.747 6.955 8.836 1.00 0.00 C ATOM 1491 CG2 VAL A 96 119.905 5.791 8.337 1.00 0.00 C ATOM 0 H VAL A 96 119.108 3.195 9.207 1.00 0.00 H new ATOM 0 HA VAL A 96 118.958 5.537 10.879 1.00 0.00 H new ATOM 0 HB VAL A 96 117.946 4.980 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 96 117.794 7.426 7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 96 116.705 6.802 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 96 118.229 7.599 9.571 1.00 0.00 H new ATOM 0 HG21 VAL A 96 119.923 6.283 7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 96 120.441 6.402 9.063 1.00 0.00 H new ATOM 0 HG23 VAL A 96 120.385 4.815 8.259 1.00 0.00 H new ATOM 1501 N THR A 97 116.760 4.987 11.915 1.00 0.00 N ATOM 1502 CA THR A 97 115.431 4.948 12.497 1.00 0.00 C ATOM 1503 C THR A 97 114.636 6.187 12.088 1.00 0.00 C ATOM 1504 O THR A 97 115.219 7.220 11.753 1.00 0.00 O ATOM 1505 CB THR A 97 115.530 4.884 14.033 1.00 0.00 C ATOM 1506 OG1 THR A 97 116.588 3.994 14.409 1.00 0.00 O ATOM 1507 CG2 THR A 97 114.227 4.401 14.650 1.00 0.00 C ATOM 0 H THR A 97 117.503 5.185 12.585 1.00 0.00 H new ATOM 0 HA THR A 97 114.918 4.059 12.130 1.00 0.00 H new ATOM 0 HB THR A 97 115.735 5.889 14.401 1.00 0.00 H new ATOM 0 HG1 THR A 97 116.651 3.955 15.386 1.00 0.00 H new ATOM 0 HG21 THR A 97 114.329 4.367 15.735 1.00 0.00 H new ATOM 0 HG22 THR A 97 113.422 5.086 14.383 1.00 0.00 H new ATOM 0 HG23 THR A 97 113.995 3.404 14.276 1.00 0.00 H new ATOM 1515 N LEU A 98 113.309 6.083 12.107 1.00 0.00 N ATOM 1516 CA LEU A 98 112.443 7.223 11.818 1.00 0.00 C ATOM 1517 C LEU A 98 112.781 8.398 12.739 1.00 0.00 C ATOM 1518 O LEU A 98 112.768 9.560 12.325 1.00 0.00 O ATOM 1519 CB LEU A 98 110.973 6.828 11.985 1.00 0.00 C ATOM 1520 CG LEU A 98 109.961 7.915 11.615 1.00 0.00 C ATOM 1521 CD1 LEU A 98 110.064 8.264 10.139 1.00 0.00 C ATOM 1522 CD2 LEU A 98 108.553 7.466 11.962 1.00 0.00 C ATOM 0 H LEU A 98 112.810 5.219 12.320 1.00 0.00 H new ATOM 0 HA LEU A 98 112.609 7.531 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 98 110.778 5.948 11.372 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.807 6.537 13.022 1.00 0.00 H new ATOM 0 HG LEU A 98 110.190 8.811 12.192 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.336 9.038 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 98 111.068 8.628 9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.862 7.376 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 98 107.845 8.250 11.693 1.00 0.00 H new ATOM 0 HD22 LEU A 98 108.315 6.557 11.410 1.00 0.00 H new ATOM 0 HD23 LEU A 98 108.487 7.269 13.032 1.00 0.00 H new ATOM 1534 N ALA A 99 113.109 8.079 13.988 1.00 0.00 N ATOM 1535 CA ALA A 99 113.503 9.087 14.961 1.00 0.00 C ATOM 1536 C ALA A 99 114.771 9.812 14.517 1.00 0.00 C ATOM 1537 O ALA A 99 114.931 11.005 14.767 1.00 0.00 O ATOM 1538 CB ALA A 99 113.708 8.446 16.324 1.00 0.00 C ATOM 0 H ALA A 99 113.109 7.125 14.349 1.00 0.00 H new ATOM 0 HA ALA A 99 112.703 9.824 15.033 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.003 9.209 17.044 1.00 0.00 H new ATOM 0 HB2 ALA A 99 112.779 7.979 16.650 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.490 7.690 16.256 1.00 0.00 H new ATOM 1544 N ALA A 100 115.656 9.089 13.840 1.00 0.00 N ATOM 1545 CA ALA A 100 116.904 9.662 13.350 1.00 0.00 C ATOM 1546 C ALA A 100 116.647 10.580 12.159 1.00 0.00 C ATOM 1547 O ALA A 100 117.362 11.557 11.954 1.00 0.00 O ATOM 1548 CB ALA A 100 117.883 8.561 12.974 1.00 0.00 C ATOM 0 H ALA A 100 115.531 8.101 13.617 1.00 0.00 H new ATOM 0 HA ALA A 100 117.344 10.258 14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 100 118.809 9.006 12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 100 118.095 7.948 13.850 1.00 0.00 H new ATOM 0 HB3 ALA A 100 117.448 7.939 12.192 1.00 0.00 H new ATOM 1554 N VAL A 101 115.617 10.263 11.383 1.00 0.00 N ATOM 1555 CA VAL A 101 115.218 11.105 10.258 1.00 0.00 C ATOM 1556 C VAL A 101 114.730 12.456 10.768 1.00 0.00 C ATOM 1557 O VAL A 101 114.968 13.497 10.154 1.00 0.00 O ATOM 1558 CB VAL A 101 114.103 10.438 9.419 1.00 0.00 C ATOM 1559 CG1 VAL A 101 113.725 11.304 8.223 1.00 0.00 C ATOM 1560 CG2 VAL A 101 114.537 9.053 8.963 1.00 0.00 C ATOM 0 H VAL A 101 115.042 9.430 11.511 1.00 0.00 H new ATOM 0 HA VAL A 101 116.090 11.243 9.619 1.00 0.00 H new ATOM 0 HB VAL A 101 113.220 10.334 10.050 1.00 0.00 H new ATOM 0 HG11 VAL A 101 112.939 10.811 7.651 1.00 0.00 H new ATOM 0 HG12 VAL A 101 113.366 12.272 8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 101 114.599 11.449 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 101 113.741 8.598 8.374 1.00 0.00 H new ATOM 0 HG22 VAL A 101 115.437 9.136 8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 101 114.745 8.432 9.834 1.00 0.00 H new ATOM 1570 N LYS A 102 114.069 12.431 11.918 1.00 0.00 N ATOM 1571 CA LYS A 102 113.566 13.647 12.548 1.00 0.00 C ATOM 1572 C LYS A 102 114.694 14.458 13.195 1.00 0.00 C ATOM 1573 O LYS A 102 114.467 15.567 13.681 1.00 0.00 O ATOM 1574 CB LYS A 102 112.524 13.294 13.610 1.00 0.00 C ATOM 1575 CG LYS A 102 111.226 12.735 13.050 1.00 0.00 C ATOM 1576 CD LYS A 102 110.342 12.200 14.166 1.00 0.00 C ATOM 1577 CE LYS A 102 108.948 11.860 13.673 1.00 0.00 C ATOM 1578 NZ LYS A 102 108.166 13.077 13.328 1.00 0.00 N ATOM 0 H LYS A 102 113.867 11.576 12.437 1.00 0.00 H new ATOM 0 HA LYS A 102 113.111 14.257 11.768 1.00 0.00 H new ATOM 0 HB2 LYS A 102 112.954 12.565 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 102 112.300 14.187 14.193 1.00 0.00 H new ATOM 0 HG2 LYS A 102 110.696 13.514 12.502 1.00 0.00 H new ATOM 0 HG3 LYS A 102 111.445 11.938 12.339 1.00 0.00 H new ATOM 0 HD2 LYS A 102 110.801 11.310 14.597 1.00 0.00 H new ATOM 0 HD3 LYS A 102 110.274 12.942 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 102 109.021 11.216 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 102 108.420 11.295 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 107.162 12.827 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 108.272 13.783 14.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 108.517 13.473 12.433 1.00 0.00 H new ATOM 1592 N ALA A 103 115.903 13.907 13.207 1.00 0.00 N ATOM 1593 CA ALA A 103 117.035 14.572 13.840 1.00 0.00 C ATOM 1594 C ALA A 103 117.648 15.624 12.919 1.00 0.00 C ATOM 1595 O ALA A 103 118.259 16.589 13.386 1.00 0.00 O ATOM 1596 CB ALA A 103 118.082 13.552 14.261 1.00 0.00 C ATOM 0 H ALA A 103 116.124 13.004 12.787 1.00 0.00 H new ATOM 0 HA ALA A 103 116.669 15.084 14.730 1.00 0.00 H new ATOM 0 HB1 ALA A 103 118.921 14.065 14.732 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.642 12.850 14.969 1.00 0.00 H new ATOM 0 HB3 ALA A 103 118.435 13.009 13.384 1.00 0.00 H new ATOM 1602 N GLU A 104 117.479 15.442 11.615 1.00 0.00 N ATOM 1603 CA GLU A 104 118.018 16.380 10.641 1.00 0.00 C ATOM 1604 C GLU A 104 116.897 16.951 9.776 1.00 0.00 C ATOM 1605 O GLU A 104 116.294 16.238 8.973 1.00 0.00 O ATOM 1606 CB GLU A 104 119.076 15.694 9.770 1.00 0.00 C ATOM 1607 CG GLU A 104 119.787 16.630 8.800 1.00 0.00 C ATOM 1608 CD GLU A 104 120.404 17.834 9.486 1.00 0.00 C ATOM 1609 OE1 GLU A 104 121.315 17.655 10.320 1.00 0.00 O ATOM 1610 OE2 GLU A 104 119.968 18.967 9.200 1.00 0.00 O ATOM 0 H GLU A 104 116.974 14.654 11.209 1.00 0.00 H new ATOM 0 HA GLU A 104 118.493 17.203 11.175 1.00 0.00 H new ATOM 0 HB2 GLU A 104 119.818 15.228 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 104 118.601 14.894 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 104 120.567 16.078 8.276 1.00 0.00 H new ATOM 0 HG3 GLU A 104 119.077 16.972 8.047 1.00 0.00 H new ATOM 1617 N PRO A 105 116.607 18.255 9.937 1.00 0.00 N ATOM 1618 CA PRO A 105 115.524 18.935 9.214 1.00 0.00 C ATOM 1619 C PRO A 105 115.657 18.844 7.695 1.00 0.00 C ATOM 1620 O PRO A 105 114.664 18.938 6.976 1.00 0.00 O ATOM 1621 CB PRO A 105 115.642 20.398 9.666 1.00 0.00 C ATOM 1622 CG PRO A 105 117.002 20.518 10.262 1.00 0.00 C ATOM 1623 CD PRO A 105 117.311 19.174 10.848 1.00 0.00 C ATOM 0 HA PRO A 105 114.561 18.475 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 105 115.520 21.080 8.825 1.00 0.00 H new ATOM 0 HB3 PRO A 105 114.870 20.648 10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 105 117.737 20.793 9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 105 117.026 21.293 11.028 1.00 0.00 H new ATOM 0 HD2 PRO A 105 118.383 18.979 10.871 1.00 0.00 H new ATOM 0 HD3 PRO A 105 116.949 19.086 11.872 1.00 0.00 H new ATOM 1631 N ARG A 106 116.878 18.637 7.206 1.00 0.00 N ATOM 1632 CA ARG A 106 117.123 18.580 5.766 1.00 0.00 C ATOM 1633 C ARG A 106 116.588 17.277 5.172 1.00 0.00 C ATOM 1634 O ARG A 106 116.570 17.097 3.954 1.00 0.00 O ATOM 1635 CB ARG A 106 118.618 18.729 5.464 1.00 0.00 C ATOM 1636 CG ARG A 106 119.278 19.858 6.241 1.00 0.00 C ATOM 1637 CD ARG A 106 120.588 20.313 5.612 1.00 0.00 C ATOM 1638 NE ARG A 106 121.468 19.198 5.260 1.00 0.00 N ATOM 1639 CZ ARG A 106 122.543 18.841 5.965 1.00 0.00 C ATOM 1640 NH1 ARG A 106 122.812 19.428 7.125 1.00 0.00 N ATOM 1641 NH2 ARG A 106 123.337 17.878 5.519 1.00 0.00 N ATOM 0 H ARG A 106 117.710 18.507 7.782 1.00 0.00 H new ATOM 0 HA ARG A 106 116.592 19.411 5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 106 119.124 17.792 5.697 1.00 0.00 H new ATOM 0 HB3 ARG A 106 118.750 18.906 4.397 1.00 0.00 H new ATOM 0 HG2 ARG A 106 118.593 20.704 6.298 1.00 0.00 H new ATOM 0 HG3 ARG A 106 119.465 19.530 7.264 1.00 0.00 H new ATOM 0 HD2 ARG A 106 120.372 20.896 4.716 1.00 0.00 H new ATOM 0 HD3 ARG A 106 121.108 20.975 6.305 1.00 0.00 H new ATOM 0 HE ARG A 106 121.245 18.660 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 106 122.195 20.157 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 106 123.636 19.150 7.658 1.00 0.00 H new ATOM 0 HH21 ARG A 106 123.126 17.410 4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 106 124.159 17.605 6.057 1.00 0.00 H new ATOM 1655 N LEU A 107 116.159 16.369 6.041 1.00 0.00 N ATOM 1656 CA LEU A 107 115.555 15.115 5.608 1.00 0.00 C ATOM 1657 C LEU A 107 114.092 15.048 6.030 1.00 0.00 C ATOM 1658 O LEU A 107 113.423 14.032 5.841 1.00 0.00 O ATOM 1659 CB LEU A 107 116.323 13.924 6.181 1.00 0.00 C ATOM 1660 CG LEU A 107 117.699 13.685 5.560 1.00 0.00 C ATOM 1661 CD1 LEU A 107 118.423 12.565 6.290 1.00 0.00 C ATOM 1662 CD2 LEU A 107 117.560 13.356 4.080 1.00 0.00 C ATOM 0 H LEU A 107 116.219 16.479 7.053 1.00 0.00 H new ATOM 0 HA LEU A 107 115.604 15.072 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 107 116.446 14.072 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 107 115.721 13.025 6.050 1.00 0.00 H new ATOM 0 HG LEU A 107 118.289 14.596 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 107 119.401 12.407 5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 107 118.549 12.836 7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 107 117.838 11.648 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 107 118.548 13.188 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 107 116.955 12.457 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 107 117.077 14.187 3.566 1.00 0.00 H new ATOM 1674 N ALA A 108 113.590 16.151 6.569 1.00 0.00 N ATOM 1675 CA ALA A 108 112.217 16.208 7.056 1.00 0.00 C ATOM 1676 C ALA A 108 111.242 16.477 5.912 1.00 0.00 C ATOM 1677 O ALA A 108 110.038 16.620 6.127 1.00 0.00 O ATOM 1678 CB ALA A 108 112.080 17.273 8.134 1.00 0.00 C ATOM 0 H ALA A 108 114.113 17.020 6.680 1.00 0.00 H new ATOM 0 HA ALA A 108 111.970 15.239 7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 108 111.049 17.303 8.487 1.00 0.00 H new ATOM 0 HB2 ALA A 108 112.742 17.035 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 108 112.351 18.245 7.722 1.00 0.00 H new ATOM 1684 N ASP A 109 111.771 16.539 4.698 1.00 0.00 N ATOM 1685 CA ASP A 109 110.949 16.776 3.519 1.00 0.00 C ATOM 1686 C ASP A 109 110.862 15.499 2.687 1.00 0.00 C ATOM 1687 O ASP A 109 110.356 15.496 1.567 1.00 0.00 O ATOM 1688 CB ASP A 109 111.536 17.921 2.684 1.00 0.00 C ATOM 1689 CG ASP A 109 110.475 18.663 1.891 1.00 0.00 C ATOM 1690 OD1 ASP A 109 110.158 18.244 0.759 1.00 0.00 O ATOM 1691 OD2 ASP A 109 109.945 19.672 2.406 1.00 0.00 O ATOM 0 H ASP A 109 112.766 16.428 4.503 1.00 0.00 H new ATOM 0 HA ASP A 109 109.945 17.061 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 109 112.049 18.621 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 109 112.284 17.521 1.999 1.00 0.00 H new ATOM 1696 N MET A 110 111.353 14.406 3.258 1.00 0.00 N ATOM 1697 CA MET A 110 111.340 13.111 2.583 1.00 0.00 C ATOM 1698 C MET A 110 109.922 12.542 2.563 1.00 0.00 C ATOM 1699 O MET A 110 109.108 12.858 3.438 1.00 0.00 O ATOM 1700 CB MET A 110 112.276 12.132 3.301 1.00 0.00 C ATOM 1701 CG MET A 110 112.520 10.836 2.538 1.00 0.00 C ATOM 1702 SD MET A 110 113.206 9.529 3.575 1.00 0.00 S ATOM 1703 CE MET A 110 114.678 10.325 4.206 1.00 0.00 C ATOM 0 H MET A 110 111.767 14.389 4.190 1.00 0.00 H new ATOM 0 HA MET A 110 111.685 13.250 1.558 1.00 0.00 H new ATOM 0 HB2 MET A 110 113.233 12.623 3.478 1.00 0.00 H new ATOM 0 HB3 MET A 110 111.855 11.893 4.278 1.00 0.00 H new ATOM 0 HG2 MET A 110 111.581 10.493 2.104 1.00 0.00 H new ATOM 0 HG3 MET A 110 113.201 11.031 1.710 1.00 0.00 H new ATOM 0 HE1 MET A 110 115.281 9.597 4.748 1.00 0.00 H new ATOM 0 HE2 MET A 110 115.257 10.730 3.376 1.00 0.00 H new ATOM 0 HE3 MET A 110 114.394 11.134 4.879 1.00 0.00 H new ATOM 1713 N ALA A 111 109.629 11.696 1.574 1.00 0.00 N ATOM 1714 CA ALA A 111 108.329 11.034 1.486 1.00 0.00 C ATOM 1715 C ALA A 111 108.059 10.196 2.733 1.00 0.00 C ATOM 1716 O ALA A 111 106.912 9.988 3.107 1.00 0.00 O ATOM 1717 CB ALA A 111 108.251 10.162 0.239 1.00 0.00 C ATOM 0 H ALA A 111 110.275 11.454 0.823 1.00 0.00 H new ATOM 0 HA ALA A 111 107.564 11.807 1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 111 107.275 9.679 0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 111 108.391 10.781 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 111 109.031 9.402 0.277 1.00 0.00 H new ATOM 1723 N LEU A 112 109.129 9.733 3.372 1.00 0.00 N ATOM 1724 CA LEU A 112 109.024 8.951 4.601 1.00 0.00 C ATOM 1725 C LEU A 112 108.435 9.793 5.732 1.00 0.00 C ATOM 1726 O LEU A 112 107.644 9.304 6.543 1.00 0.00 O ATOM 1727 CB LEU A 112 110.409 8.438 5.008 1.00 0.00 C ATOM 1728 CG LEU A 112 110.465 7.608 6.293 1.00 0.00 C ATOM 1729 CD1 LEU A 112 109.735 6.290 6.116 1.00 0.00 C ATOM 1730 CD2 LEU A 112 111.909 7.364 6.704 1.00 0.00 C ATOM 0 H LEU A 112 110.087 9.887 3.056 1.00 0.00 H new ATOM 0 HA LEU A 112 108.360 8.106 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 112 110.806 7.835 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 112 111.073 9.295 5.123 1.00 0.00 H new ATOM 0 HG LEU A 112 109.967 8.169 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 112 109.788 5.717 7.042 1.00 0.00 H new ATOM 0 HD12 LEU A 112 108.691 6.483 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 112 110.200 5.722 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 112 111.932 6.773 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 112 112.427 6.825 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 112 112.404 8.319 6.877 1.00 0.00 H new ATOM 1742 N MET A 113 108.824 11.061 5.767 1.00 0.00 N ATOM 1743 CA MET A 113 108.398 11.968 6.824 1.00 0.00 C ATOM 1744 C MET A 113 106.985 12.472 6.558 1.00 0.00 C ATOM 1745 O MET A 113 106.204 12.696 7.485 1.00 0.00 O ATOM 1746 CB MET A 113 109.368 13.151 6.926 1.00 0.00 C ATOM 1747 CG MET A 113 109.175 14.015 8.168 1.00 0.00 C ATOM 1748 SD MET A 113 109.944 13.320 9.652 1.00 0.00 S ATOM 1749 CE MET A 113 108.947 11.860 9.940 1.00 0.00 C ATOM 0 H MET A 113 109.437 11.486 5.071 1.00 0.00 H new ATOM 0 HA MET A 113 108.401 11.424 7.769 1.00 0.00 H new ATOM 0 HB2 MET A 113 110.389 12.770 6.918 1.00 0.00 H new ATOM 0 HB3 MET A 113 109.254 13.777 6.041 1.00 0.00 H new ATOM 0 HG2 MET A 113 109.591 15.005 7.981 1.00 0.00 H new ATOM 0 HG3 MET A 113 108.108 14.147 8.348 1.00 0.00 H new ATOM 0 HE1 MET A 113 109.168 11.458 10.929 1.00 0.00 H new ATOM 0 HE2 MET A 113 107.891 12.124 9.883 1.00 0.00 H new ATOM 0 HE3 MET A 113 109.175 11.109 9.184 1.00 0.00 H new ATOM 1759 N LYS A 114 106.663 12.646 5.284 1.00 0.00 N ATOM 1760 CA LYS A 114 105.347 13.121 4.883 1.00 0.00 C ATOM 1761 C LYS A 114 104.341 11.974 4.854 1.00 0.00 C ATOM 1762 O LYS A 114 103.408 11.927 5.659 1.00 0.00 O ATOM 1763 CB LYS A 114 105.415 13.777 3.504 1.00 0.00 C ATOM 1764 CG LYS A 114 106.327 14.990 3.440 1.00 0.00 C ATOM 1765 CD LYS A 114 106.477 15.491 2.012 1.00 0.00 C ATOM 1766 CE LYS A 114 107.428 16.673 1.931 1.00 0.00 C ATOM 1767 NZ LYS A 114 107.804 16.992 0.527 1.00 0.00 N ATOM 0 H LYS A 114 107.299 12.464 4.507 1.00 0.00 H new ATOM 0 HA LYS A 114 105.018 13.858 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 114 105.758 13.039 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 114 104.410 14.075 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 114 105.923 15.785 4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 114 107.307 14.733 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 114 106.845 14.683 1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 114 105.501 15.781 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 114 106.961 17.545 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 114 108.328 16.454 2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 108.652 17.593 0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 108.002 16.111 0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 107.021 17.495 0.064 1.00 0.00 H new ATOM 1781 N TYR A 115 104.551 11.040 3.937 1.00 0.00 N ATOM 1782 CA TYR A 115 103.626 9.935 3.750 1.00 0.00 C ATOM 1783 C TYR A 115 104.218 8.658 4.333 1.00 0.00 C ATOM 1784 O TYR A 115 104.829 7.864 3.621 1.00 0.00 O ATOM 1785 CB TYR A 115 103.332 9.721 2.258 1.00 0.00 C ATOM 1786 CG TYR A 115 103.180 10.999 1.459 1.00 0.00 C ATOM 1787 CD1 TYR A 115 101.955 11.648 1.364 1.00 0.00 C ATOM 1788 CD2 TYR A 115 104.268 11.552 0.794 1.00 0.00 C ATOM 1789 CE1 TYR A 115 101.820 12.813 0.630 1.00 0.00 C ATOM 1790 CE2 TYR A 115 104.142 12.715 0.059 1.00 0.00 C ATOM 1791 CZ TYR A 115 102.916 13.342 -0.021 1.00 0.00 C ATOM 1792 OH TYR A 115 102.787 14.502 -0.755 1.00 0.00 O ATOM 0 H TYR A 115 105.356 11.027 3.311 1.00 0.00 H new ATOM 0 HA TYR A 115 102.696 10.177 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 115 104.137 9.129 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 115 102.418 9.136 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 115 101.095 11.237 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 115 105.229 11.064 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 115 100.861 13.306 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 115 104.999 13.131 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 115 103.653 14.739 -1.148 1.00 0.00 H new ATOM 1802 N SER A 116 104.023 8.456 5.626 1.00 0.00 N ATOM 1803 CA SER A 116 104.549 7.278 6.297 1.00 0.00 C ATOM 1804 C SER A 116 103.735 6.038 5.929 1.00 0.00 C ATOM 1805 O SER A 116 104.156 4.907 6.177 1.00 0.00 O ATOM 1806 CB SER A 116 104.536 7.497 7.808 1.00 0.00 C ATOM 1807 OG SER A 116 105.202 8.705 8.143 1.00 0.00 O ATOM 0 H SER A 116 103.505 9.092 6.232 1.00 0.00 H new ATOM 0 HA SER A 116 105.576 7.116 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 116 103.507 7.531 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 116 105.021 6.658 8.307 1.00 0.00 H new ATOM 0 HG SER A 116 105.988 8.815 7.569 1.00 0.00 H new ATOM 1813 N ARG A 117 102.586 6.268 5.309 1.00 0.00 N ATOM 1814 CA ARG A 117 101.687 5.191 4.919 1.00 0.00 C ATOM 1815 C ARG A 117 102.145 4.554 3.608 1.00 0.00 C ATOM 1816 O ARG A 117 101.826 3.402 3.319 1.00 0.00 O ATOM 1817 CB ARG A 117 100.268 5.738 4.770 1.00 0.00 C ATOM 1818 CG ARG A 117 99.206 4.666 4.608 1.00 0.00 C ATOM 1819 CD ARG A 117 97.822 5.279 4.472 1.00 0.00 C ATOM 1820 NE ARG A 117 96.765 4.271 4.505 1.00 0.00 N ATOM 1821 CZ ARG A 117 95.516 4.493 4.099 1.00 0.00 C ATOM 1822 NH1 ARG A 117 95.184 5.665 3.571 1.00 0.00 N ATOM 1823 NH2 ARG A 117 94.600 3.540 4.213 1.00 0.00 N ATOM 0 H ARG A 117 102.252 7.200 5.063 1.00 0.00 H new ATOM 0 HA ARG A 117 101.700 4.424 5.694 1.00 0.00 H new ATOM 0 HB2 ARG A 117 100.029 6.342 5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 117 100.234 6.401 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 117 99.427 4.062 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 117 99.227 3.997 5.468 1.00 0.00 H new ATOM 0 HD2 ARG A 117 97.663 5.996 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 117 97.763 5.834 3.536 1.00 0.00 H new ATOM 0 HE ARG A 117 96.997 3.343 4.860 1.00 0.00 H new ATOM 0 HH11 ARG A 117 95.886 6.399 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 117 94.227 5.832 3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 117 94.852 2.636 4.612 1.00 0.00 H new ATOM 0 HH22 ARG A 117 93.644 3.712 3.902 1.00 0.00 H new ATOM 1837 N LEU A 118 102.907 5.307 2.825 1.00 0.00 N ATOM 1838 CA LEU A 118 103.390 4.830 1.536 1.00 0.00 C ATOM 1839 C LEU A 118 104.446 3.745 1.740 1.00 0.00 C ATOM 1840 O LEU A 118 105.500 4.000 2.317 1.00 0.00 O ATOM 1841 CB LEU A 118 103.967 6.002 0.731 1.00 0.00 C ATOM 1842 CG LEU A 118 104.470 5.660 -0.674 1.00 0.00 C ATOM 1843 CD1 LEU A 118 103.334 5.154 -1.550 1.00 0.00 C ATOM 1844 CD2 LEU A 118 105.128 6.875 -1.311 1.00 0.00 C ATOM 0 H LEU A 118 103.205 6.254 3.061 1.00 0.00 H new ATOM 0 HA LEU A 118 102.559 4.399 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 118 103.200 6.772 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 118 104.792 6.436 1.296 1.00 0.00 H new ATOM 0 HG LEU A 118 105.211 4.866 -0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 118 103.717 4.918 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 118 102.903 4.257 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 118 102.566 5.924 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 118 105.481 6.616 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 118 104.403 7.686 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 118 105.972 7.194 -0.700 1.00 0.00 H new ATOM 1856 N SER A 119 104.146 2.533 1.293 1.00 0.00 N ATOM 1857 CA SER A 119 105.045 1.401 1.484 1.00 0.00 C ATOM 1858 C SER A 119 106.268 1.509 0.573 1.00 0.00 C ATOM 1859 O SER A 119 107.396 1.273 1.003 1.00 0.00 O ATOM 1860 CB SER A 119 104.296 0.098 1.215 1.00 0.00 C ATOM 1861 OG SER A 119 103.051 0.085 1.896 1.00 0.00 O ATOM 0 H SER A 119 103.285 2.307 0.794 1.00 0.00 H new ATOM 0 HA SER A 119 105.396 1.408 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 119 104.131 -0.018 0.144 1.00 0.00 H new ATOM 0 HB3 SER A 119 104.902 -0.749 1.538 1.00 0.00 H new ATOM 0 HG SER A 119 102.585 -0.757 1.710 1.00 0.00 H new ATOM 1867 N VAL A 120 106.033 1.864 -0.684 1.00 0.00 N ATOM 1868 CA VAL A 120 107.113 2.042 -1.646 1.00 0.00 C ATOM 1869 C VAL A 120 107.297 3.523 -1.948 1.00 0.00 C ATOM 1870 O VAL A 120 106.516 4.119 -2.692 1.00 0.00 O ATOM 1871 CB VAL A 120 106.847 1.280 -2.962 1.00 0.00 C ATOM 1872 CG1 VAL A 120 107.994 1.484 -3.940 1.00 0.00 C ATOM 1873 CG2 VAL A 120 106.632 -0.203 -2.695 1.00 0.00 C ATOM 0 H VAL A 120 105.101 2.035 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 120 108.020 1.634 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 120 105.937 1.682 -3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 120 107.788 0.939 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 120 108.098 2.546 -4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 120 108.919 1.113 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 120 106.446 -0.719 -3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 120 107.521 -0.620 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 120 105.774 -0.333 -2.035 1.00 0.00 H new ATOM 1883 N GLN A 121 108.324 4.110 -1.360 1.00 0.00 N ATOM 1884 CA GLN A 121 108.544 5.546 -1.458 1.00 0.00 C ATOM 1885 C GLN A 121 109.657 5.860 -2.451 1.00 0.00 C ATOM 1886 O GLN A 121 110.605 5.086 -2.592 1.00 0.00 O ATOM 1887 CB GLN A 121 108.912 6.110 -0.086 1.00 0.00 C ATOM 1888 CG GLN A 121 107.974 5.681 1.029 1.00 0.00 C ATOM 1889 CD GLN A 121 108.473 6.096 2.399 1.00 0.00 C ATOM 1890 OE1 GLN A 121 107.689 6.328 3.320 1.00 0.00 O ATOM 1891 NE2 GLN A 121 109.786 6.185 2.547 1.00 0.00 N ATOM 0 H GLN A 121 109.023 3.614 -0.807 1.00 0.00 H new ATOM 0 HA GLN A 121 107.622 6.008 -1.811 1.00 0.00 H new ATOM 0 HB2 GLN A 121 109.925 5.796 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 121 108.920 7.199 -0.142 1.00 0.00 H new ATOM 0 HG2 GLN A 121 106.989 6.115 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 121 107.854 4.598 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 121 110.403 5.985 1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 121 110.181 6.454 3.448 1.00 0.00 H new ATOM 1900 N PRO A 122 109.544 6.988 -3.169 1.00 0.00 N ATOM 1901 CA PRO A 122 110.599 7.464 -4.060 1.00 0.00 C ATOM 1902 C PRO A 122 111.651 8.287 -3.318 1.00 0.00 C ATOM 1903 O PRO A 122 111.317 9.143 -2.497 1.00 0.00 O ATOM 1904 CB PRO A 122 109.834 8.334 -5.053 1.00 0.00 C ATOM 1905 CG PRO A 122 108.674 8.873 -4.280 1.00 0.00 C ATOM 1906 CD PRO A 122 108.368 7.878 -3.187 1.00 0.00 C ATOM 0 HA PRO A 122 111.156 6.649 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 122 110.461 9.139 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 122 109.500 7.752 -5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 122 108.913 9.849 -3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 122 107.809 9.010 -4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 122 108.228 8.373 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 122 107.453 7.325 -3.397 1.00 0.00 H new ATOM 1914 N VAL A 123 112.915 8.022 -3.601 1.00 0.00 N ATOM 1915 CA VAL A 123 114.010 8.725 -2.948 1.00 0.00 C ATOM 1916 C VAL A 123 114.912 9.391 -3.985 1.00 0.00 C ATOM 1917 O VAL A 123 115.329 8.761 -4.957 1.00 0.00 O ATOM 1918 CB VAL A 123 114.851 7.764 -2.071 1.00 0.00 C ATOM 1919 CG1 VAL A 123 115.985 8.504 -1.383 1.00 0.00 C ATOM 1920 CG2 VAL A 123 113.975 7.065 -1.040 1.00 0.00 C ATOM 0 H VAL A 123 113.211 7.322 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 123 113.573 9.489 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 123 115.284 7.009 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 123 116.559 7.805 -0.774 1.00 0.00 H new ATOM 0 HG12 VAL A 123 116.636 8.951 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 123 115.575 9.288 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 123 114.588 6.395 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 123 113.507 7.809 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 123 113.202 6.489 -1.549 1.00 0.00 H new ATOM 1930 N THR A 124 115.191 10.670 -3.790 1.00 0.00 N ATOM 1931 CA THR A 124 116.063 11.400 -4.696 1.00 0.00 C ATOM 1932 C THR A 124 117.529 11.171 -4.333 1.00 0.00 C ATOM 1933 O THR A 124 117.838 10.684 -3.244 1.00 0.00 O ATOM 1934 CB THR A 124 115.758 12.911 -4.670 1.00 0.00 C ATOM 1935 OG1 THR A 124 115.916 13.421 -3.340 1.00 0.00 O ATOM 1936 CG2 THR A 124 114.343 13.185 -5.158 1.00 0.00 C ATOM 0 H THR A 124 114.827 11.223 -3.014 1.00 0.00 H new ATOM 0 HA THR A 124 115.877 11.024 -5.702 1.00 0.00 H new ATOM 0 HB THR A 124 116.460 13.412 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 124 115.091 13.271 -2.832 1.00 0.00 H new ATOM 0 HG21 THR A 124 114.150 14.257 -5.131 1.00 0.00 H new ATOM 0 HG22 THR A 124 114.234 12.822 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 124 113.630 12.672 -4.513 1.00 0.00 H new ATOM 1944 N ALA A 125 118.428 11.524 -5.247 1.00 0.00 N ATOM 1945 CA ALA A 125 119.863 11.372 -5.017 1.00 0.00 C ATOM 1946 C ALA A 125 120.304 12.129 -3.769 1.00 0.00 C ATOM 1947 O ALA A 125 121.176 11.673 -3.032 1.00 0.00 O ATOM 1948 CB ALA A 125 120.644 11.854 -6.230 1.00 0.00 C ATOM 0 H ALA A 125 118.188 11.918 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 125 120.070 10.313 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 125 121.712 11.735 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 125 120.359 11.267 -7.103 1.00 0.00 H new ATOM 0 HB3 ALA A 125 120.422 12.906 -6.412 1.00 0.00 H new ATOM 1954 N GLU A 126 119.685 13.275 -3.529 1.00 0.00 N ATOM 1955 CA GLU A 126 120.013 14.090 -2.369 1.00 0.00 C ATOM 1956 C GLU A 126 119.647 13.373 -1.076 1.00 0.00 C ATOM 1957 O GLU A 126 120.479 13.241 -0.178 1.00 0.00 O ATOM 1958 CB GLU A 126 119.306 15.439 -2.461 1.00 0.00 C ATOM 1959 CG GLU A 126 119.926 16.356 -3.498 1.00 0.00 C ATOM 1960 CD GLU A 126 121.360 16.699 -3.156 1.00 0.00 C ATOM 1961 OE1 GLU A 126 122.260 15.877 -3.432 1.00 0.00 O ATOM 1962 OE2 GLU A 126 121.591 17.780 -2.580 1.00 0.00 O ATOM 0 H GLU A 126 118.952 13.662 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 126 121.090 14.260 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 126 118.256 15.278 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 126 119.335 15.927 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 126 119.890 15.876 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 126 119.340 17.272 -3.571 1.00 0.00 H new ATOM 1969 N GLU A 127 118.412 12.896 -0.999 1.00 0.00 N ATOM 1970 CA GLU A 127 117.948 12.154 0.169 1.00 0.00 C ATOM 1971 C GLU A 127 118.777 10.888 0.352 1.00 0.00 C ATOM 1972 O GLU A 127 119.267 10.606 1.444 1.00 0.00 O ATOM 1973 CB GLU A 127 116.475 11.786 0.007 1.00 0.00 C ATOM 1974 CG GLU A 127 115.562 12.985 -0.181 1.00 0.00 C ATOM 1975 CD GLU A 127 114.187 12.588 -0.678 1.00 0.00 C ATOM 1976 OE1 GLU A 127 114.074 12.219 -1.864 1.00 0.00 O ATOM 1977 OE2 GLU A 127 113.222 12.644 0.106 1.00 0.00 O ATOM 0 H GLU A 127 117.711 13.009 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 127 118.063 12.785 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 127 116.368 11.121 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 127 116.151 11.228 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 127 115.464 13.516 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 127 116.016 13.677 -0.890 1.00 0.00 H new ATOM 1984 N TRP A 128 118.942 10.148 -0.740 1.00 0.00 N ATOM 1985 CA TRP A 128 119.697 8.898 -0.738 1.00 0.00 C ATOM 1986 C TRP A 128 121.089 9.085 -0.141 1.00 0.00 C ATOM 1987 O TRP A 128 121.444 8.427 0.838 1.00 0.00 O ATOM 1988 CB TRP A 128 119.813 8.364 -2.168 1.00 0.00 C ATOM 1989 CG TRP A 128 120.553 7.064 -2.276 1.00 0.00 C ATOM 1990 CD1 TRP A 128 121.876 6.892 -2.567 1.00 0.00 C ATOM 1991 CD2 TRP A 128 120.007 5.754 -2.108 1.00 0.00 C ATOM 1992 NE1 TRP A 128 122.184 5.554 -2.582 1.00 0.00 N ATOM 1993 CE2 TRP A 128 121.054 4.836 -2.301 1.00 0.00 C ATOM 1994 CE3 TRP A 128 118.733 5.268 -1.807 1.00 0.00 C ATOM 1995 CZ2 TRP A 128 120.863 3.462 -2.209 1.00 0.00 C ATOM 1996 CZ3 TRP A 128 118.545 3.904 -1.715 1.00 0.00 C ATOM 1997 CH2 TRP A 128 119.605 3.015 -1.912 1.00 0.00 C ATOM 0 H TRP A 128 118.557 10.397 -1.651 1.00 0.00 H new ATOM 0 HA TRP A 128 119.160 8.180 -0.118 1.00 0.00 H new ATOM 0 HB2 TRP A 128 118.812 8.235 -2.579 1.00 0.00 H new ATOM 0 HB3 TRP A 128 120.317 9.109 -2.783 1.00 0.00 H new ATOM 0 HD1 TRP A 128 122.577 7.691 -2.757 1.00 0.00 H new ATOM 0 HE1 TRP A 128 123.105 5.160 -2.772 1.00 0.00 H new ATOM 0 HE3 TRP A 128 117.909 5.948 -1.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 121.679 2.772 -2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 117.563 3.517 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 128 119.427 1.953 -1.828 1.00 0.00 H new ATOM 2008 N LYS A 129 121.862 9.988 -0.730 1.00 0.00 N ATOM 2009 CA LYS A 129 123.241 10.208 -0.311 1.00 0.00 C ATOM 2010 C LYS A 129 123.314 10.678 1.137 1.00 0.00 C ATOM 2011 O LYS A 129 124.153 10.206 1.906 1.00 0.00 O ATOM 2012 CB LYS A 129 123.925 11.227 -1.228 1.00 0.00 C ATOM 2013 CG LYS A 129 124.063 10.759 -2.670 1.00 0.00 C ATOM 2014 CD LYS A 129 124.881 11.729 -3.521 1.00 0.00 C ATOM 2015 CE LYS A 129 124.098 12.984 -3.901 1.00 0.00 C ATOM 2016 NZ LYS A 129 123.851 13.886 -2.742 1.00 0.00 N ATOM 0 H LYS A 129 121.557 10.582 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 129 123.764 9.255 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 129 123.357 12.157 -1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 129 124.915 11.451 -0.832 1.00 0.00 H new ATOM 0 HG2 LYS A 129 124.536 9.777 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 129 123.072 10.643 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 129 125.779 12.017 -2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 129 125.209 11.222 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 129 124.646 13.529 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 129 123.143 12.692 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 123.616 14.839 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 123.059 13.517 -2.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 124.705 13.933 -2.150 1.00 0.00 H new ATOM 2030 N LEU A 130 122.419 11.585 1.512 1.00 0.00 N ATOM 2031 CA LEU A 130 122.443 12.162 2.849 1.00 0.00 C ATOM 2032 C LEU A 130 122.119 11.111 3.909 1.00 0.00 C ATOM 2033 O LEU A 130 122.768 11.058 4.949 1.00 0.00 O ATOM 2034 CB LEU A 130 121.469 13.340 2.946 1.00 0.00 C ATOM 2035 CG LEU A 130 121.537 14.140 4.252 1.00 0.00 C ATOM 2036 CD1 LEU A 130 122.961 14.605 4.521 1.00 0.00 C ATOM 2037 CD2 LEU A 130 120.598 15.334 4.190 1.00 0.00 C ATOM 0 H LEU A 130 121.672 11.935 0.912 1.00 0.00 H new ATOM 0 HA LEU A 130 123.452 12.530 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 130 121.660 14.018 2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 130 120.454 12.962 2.823 1.00 0.00 H new ATOM 0 HG LEU A 130 121.225 13.490 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 130 122.989 15.171 5.452 1.00 0.00 H new ATOM 0 HD12 LEU A 130 123.617 13.739 4.603 1.00 0.00 H new ATOM 0 HD13 LEU A 130 123.298 15.239 3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 130 120.657 15.892 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 130 120.886 15.981 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 130 119.576 14.986 4.040 1.00 0.00 H new ATOM 2049 N VAL A 131 121.130 10.267 3.637 1.00 0.00 N ATOM 2050 CA VAL A 131 120.745 9.215 4.574 1.00 0.00 C ATOM 2051 C VAL A 131 121.849 8.168 4.703 1.00 0.00 C ATOM 2052 O VAL A 131 122.161 7.719 5.806 1.00 0.00 O ATOM 2053 CB VAL A 131 119.424 8.533 4.151 1.00 0.00 C ATOM 2054 CG1 VAL A 131 119.102 7.356 5.057 1.00 0.00 C ATOM 2055 CG2 VAL A 131 118.278 9.532 4.166 1.00 0.00 C ATOM 0 H VAL A 131 120.581 10.289 2.778 1.00 0.00 H new ATOM 0 HA VAL A 131 120.591 9.689 5.543 1.00 0.00 H new ATOM 0 HB VAL A 131 119.552 8.159 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 131 118.168 6.895 4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 131 119.906 6.623 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 131 119.001 7.705 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 131 117.357 9.033 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 131 118.161 9.936 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.494 10.344 3.472 1.00 0.00 H new ATOM 2065 N CYS A 132 122.447 7.788 3.577 1.00 0.00 N ATOM 2066 CA CYS A 132 123.568 6.851 3.587 1.00 0.00 C ATOM 2067 C CYS A 132 124.708 7.409 4.427 1.00 0.00 C ATOM 2068 O CYS A 132 125.213 6.746 5.331 1.00 0.00 O ATOM 2069 CB CYS A 132 124.057 6.583 2.163 1.00 0.00 C ATOM 2070 SG CYS A 132 122.814 5.846 1.078 1.00 0.00 S ATOM 0 H CYS A 132 122.176 8.113 2.649 1.00 0.00 H new ATOM 0 HA CYS A 132 123.228 5.912 4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 132 124.395 7.522 1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 132 124.923 5.922 2.207 1.00 0.00 H new ATOM 0 HG CYS A 132 121.894 6.725 0.813 1.00 0.00 H new ATOM 2076 N LYS A 133 125.079 8.648 4.140 1.00 0.00 N ATOM 2077 CA LYS A 133 126.147 9.321 4.859 1.00 0.00 C ATOM 2078 C LYS A 133 125.782 9.494 6.336 1.00 0.00 C ATOM 2079 O LYS A 133 126.654 9.498 7.206 1.00 0.00 O ATOM 2080 CB LYS A 133 126.431 10.673 4.195 1.00 0.00 C ATOM 2081 CG LYS A 133 127.466 11.519 4.913 1.00 0.00 C ATOM 2082 CD LYS A 133 127.909 12.701 4.062 1.00 0.00 C ATOM 2083 CE LYS A 133 126.746 13.606 3.684 1.00 0.00 C ATOM 2084 NZ LYS A 133 127.198 14.767 2.875 1.00 0.00 N ATOM 0 H LYS A 133 124.650 9.211 3.406 1.00 0.00 H new ATOM 0 HA LYS A 133 127.050 8.712 4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 133 126.768 10.499 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 133 125.500 11.236 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 133 127.052 11.882 5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 133 128.331 10.904 5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 133 128.655 13.280 4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 133 128.391 12.334 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 133 126.008 13.035 3.121 1.00 0.00 H new ATOM 0 HE3 LYS A 133 126.252 13.962 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 126.380 15.363 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 127.884 15.325 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 127.647 14.427 2.001 1.00 0.00 H new ATOM 2098 N MET A 134 124.487 9.608 6.610 1.00 0.00 N ATOM 2099 CA MET A 134 123.992 9.747 7.976 1.00 0.00 C ATOM 2100 C MET A 134 124.051 8.410 8.715 1.00 0.00 C ATOM 2101 O MET A 134 124.170 8.365 9.941 1.00 0.00 O ATOM 2102 CB MET A 134 122.555 10.279 7.959 1.00 0.00 C ATOM 2103 CG MET A 134 122.025 10.646 9.331 1.00 0.00 C ATOM 2104 SD MET A 134 120.366 11.349 9.275 1.00 0.00 S ATOM 2105 CE MET A 134 119.445 9.988 8.570 1.00 0.00 C ATOM 0 H MET A 134 123.756 9.607 5.899 1.00 0.00 H new ATOM 0 HA MET A 134 124.630 10.456 8.504 1.00 0.00 H new ATOM 0 HB2 MET A 134 122.510 11.157 7.315 1.00 0.00 H new ATOM 0 HB3 MET A 134 121.903 9.525 7.517 1.00 0.00 H new ATOM 0 HG2 MET A 134 122.017 9.757 9.962 1.00 0.00 H new ATOM 0 HG3 MET A 134 122.702 11.362 9.797 1.00 0.00 H new ATOM 0 HE1 MET A 134 118.446 9.961 9.005 1.00 0.00 H new ATOM 0 HE2 MET A 134 119.368 10.121 7.491 1.00 0.00 H new ATOM 0 HE3 MET A 134 119.959 9.051 8.784 1.00 0.00 H new ATOM 2115 N GLY A 135 123.993 7.322 7.957 1.00 0.00 N ATOM 2116 CA GLY A 135 124.006 5.996 8.543 1.00 0.00 C ATOM 2117 C GLY A 135 125.408 5.436 8.700 1.00 0.00 C ATOM 2118 O GLY A 135 125.608 4.219 8.642 1.00 0.00 O ATOM 0 H GLY A 135 123.937 7.336 6.939 1.00 0.00 H new ATOM 0 HA2 GLY A 135 123.522 6.030 9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 135 123.418 5.322 7.919 1.00 0.00 H new ATOM 2122 N GLY A 136 126.377 6.326 8.893 1.00 0.00 N ATOM 2123 CA GLY A 136 127.750 5.908 9.125 1.00 0.00 C ATOM 2124 C GLY A 136 128.380 5.253 7.912 1.00 0.00 C ATOM 2125 O GLY A 136 129.147 4.300 8.044 1.00 0.00 O ATOM 0 H GLY A 136 126.235 7.336 8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 136 128.345 6.775 9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 136 127.776 5.211 9.963 1.00 0.00 H new ATOM 2129 N LEU A 137 128.058 5.754 6.730 1.00 0.00 N ATOM 2130 CA LEU A 137 128.587 5.184 5.500 1.00 0.00 C ATOM 2131 C LEU A 137 129.603 6.126 4.852 1.00 0.00 C ATOM 2132 O LEU A 137 130.196 5.801 3.824 1.00 0.00 O ATOM 2133 CB LEU A 137 127.438 4.899 4.531 1.00 0.00 C ATOM 2134 CG LEU A 137 127.768 3.973 3.360 1.00 0.00 C ATOM 2135 CD1 LEU A 137 128.047 2.563 3.857 1.00 0.00 C ATOM 2136 CD2 LEU A 137 126.627 3.966 2.359 1.00 0.00 C ATOM 0 H LEU A 137 127.436 6.551 6.596 1.00 0.00 H new ATOM 0 HA LEU A 137 129.098 4.252 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 137 126.613 4.462 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 137 127.082 5.848 4.130 1.00 0.00 H new ATOM 0 HG LEU A 137 128.665 4.346 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 137 128.280 1.918 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 137 128.893 2.580 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 137 127.168 2.179 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 137 126.874 3.303 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 137 125.718 3.614 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 137 126.468 4.976 1.981 1.00 0.00 H new ATOM 2148 N LEU A 138 129.812 7.289 5.467 1.00 0.00 N ATOM 2149 CA LEU A 138 130.728 8.286 4.917 1.00 0.00 C ATOM 2150 C LEU A 138 132.177 7.905 5.189 1.00 0.00 C ATOM 2151 O LEU A 138 133.023 7.972 4.298 1.00 0.00 O ATOM 2152 CB LEU A 138 130.442 9.672 5.505 1.00 0.00 C ATOM 2153 CG LEU A 138 131.385 10.788 5.038 1.00 0.00 C ATOM 2154 CD1 LEU A 138 131.235 11.028 3.544 1.00 0.00 C ATOM 2155 CD2 LEU A 138 131.120 12.069 5.817 1.00 0.00 C ATOM 0 H LEU A 138 129.363 7.563 6.341 1.00 0.00 H new ATOM 0 HA LEU A 138 130.569 8.318 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 138 129.420 9.953 5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 138 130.494 9.606 6.592 1.00 0.00 H new ATOM 0 HG LEU A 138 132.411 10.474 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 138 131.913 11.823 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 138 131.477 10.113 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 138 130.208 11.320 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 138 131.798 12.851 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 138 130.089 12.386 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 138 131.283 11.889 6.880 1.00 0.00 H new ATOM 2167 N GLU A 139 132.460 7.517 6.425 1.00 0.00 N ATOM 2168 CA GLU A 139 133.815 7.163 6.810 1.00 0.00 C ATOM 2169 C GLU A 139 134.204 5.836 6.160 1.00 0.00 C ATOM 2170 O GLU A 139 135.041 5.810 5.256 1.00 0.00 O ATOM 2171 CB GLU A 139 133.931 7.104 8.337 1.00 0.00 C ATOM 2172 CG GLU A 139 135.361 7.175 8.850 1.00 0.00 C ATOM 2173 CD GLU A 139 135.433 7.483 10.333 1.00 0.00 C ATOM 2174 OE1 GLU A 139 135.132 8.634 10.720 1.00 0.00 O ATOM 2175 OE2 GLU A 139 135.809 6.593 11.117 1.00 0.00 O ATOM 0 H GLU A 139 131.771 7.440 7.174 1.00 0.00 H new ATOM 0 HA GLU A 139 134.509 7.926 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 139 133.360 7.927 8.767 1.00 0.00 H new ATOM 0 HB3 GLU A 139 133.474 6.180 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 139 135.861 6.226 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 139 135.904 7.941 8.297 1.00 0.00 H new ATOM 2182 N HIS A 140 133.591 4.745 6.631 1.00 0.00 N ATOM 2183 CA HIS A 140 133.678 3.422 5.986 1.00 0.00 C ATOM 2184 C HIS A 140 135.060 2.775 6.149 1.00 0.00 C ATOM 2185 O HIS A 140 135.159 1.566 6.353 1.00 0.00 O ATOM 2186 CB HIS A 140 133.300 3.523 4.499 1.00 0.00 C ATOM 2187 CG HIS A 140 133.312 2.214 3.769 1.00 0.00 C ATOM 2188 ND1 HIS A 140 134.214 1.920 2.773 1.00 0.00 N ATOM 2189 CD2 HIS A 140 132.516 1.122 3.883 1.00 0.00 C ATOM 2190 CE1 HIS A 140 133.977 0.710 2.307 1.00 0.00 C ATOM 2191 NE2 HIS A 140 132.952 0.201 2.961 1.00 0.00 N ATOM 0 H HIS A 140 133.017 4.750 7.474 1.00 0.00 H new ATOM 0 HA HIS A 140 132.964 2.773 6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 140 132.305 3.962 4.418 1.00 0.00 H new ATOM 0 HB3 HIS A 140 133.991 4.207 4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 140 131.692 0.999 4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 140 134.530 0.218 1.521 1.00 0.00 H new ATOM 0 HE2 HIS A 140 132.549 -0.723 2.808 1.00 0.00 H new ATOM 2200 N HIS A 141 136.111 3.578 6.060 1.00 0.00 N ATOM 2201 CA HIS A 141 137.483 3.079 6.141 1.00 0.00 C ATOM 2202 C HIS A 141 137.819 2.596 7.543 1.00 0.00 C ATOM 2203 O HIS A 141 138.706 1.763 7.726 1.00 0.00 O ATOM 2204 CB HIS A 141 138.485 4.177 5.769 1.00 0.00 C ATOM 2205 CG HIS A 141 138.388 4.673 4.361 1.00 0.00 C ATOM 2206 ND1 HIS A 141 137.822 5.882 4.031 1.00 0.00 N ATOM 2207 CD2 HIS A 141 138.821 4.134 3.199 1.00 0.00 C ATOM 2208 CE1 HIS A 141 137.908 6.064 2.730 1.00 0.00 C ATOM 2209 NE2 HIS A 141 138.512 5.020 2.198 1.00 0.00 N ATOM 0 H HIS A 141 136.041 4.587 5.930 1.00 0.00 H new ATOM 0 HA HIS A 141 137.554 2.247 5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 141 138.344 5.020 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 141 139.494 3.799 5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 141 139.318 3.182 3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 141 137.544 6.925 2.189 1.00 0.00 H new ATOM 0 HE2 HIS A 141 138.716 4.892 1.207 1.00 0.00 H new ATOM 2218 N HIS A 142 137.111 3.117 8.531 1.00 0.00 N ATOM 2219 CA HIS A 142 137.504 2.926 9.913 1.00 0.00 C ATOM 2220 C HIS A 142 136.455 2.131 10.691 1.00 0.00 C ATOM 2221 O HIS A 142 135.415 1.746 10.153 1.00 0.00 O ATOM 2222 CB HIS A 142 137.737 4.294 10.564 1.00 0.00 C ATOM 2223 CG HIS A 142 138.825 4.302 11.593 1.00 0.00 C ATOM 2224 ND1 HIS A 142 140.159 4.334 11.265 1.00 0.00 N ATOM 2225 CD2 HIS A 142 138.775 4.264 12.944 1.00 0.00 C ATOM 2226 CE1 HIS A 142 140.883 4.308 12.365 1.00 0.00 C ATOM 2227 NE2 HIS A 142 140.068 4.264 13.403 1.00 0.00 N ATOM 0 H HIS A 142 136.266 3.673 8.401 1.00 0.00 H new ATOM 0 HA HIS A 142 138.428 2.348 9.936 1.00 0.00 H new ATOM 0 HB2 HIS A 142 137.981 5.018 9.787 1.00 0.00 H new ATOM 0 HB3 HIS A 142 136.809 4.626 11.029 1.00 0.00 H new ATOM 0 HD2 HIS A 142 137.882 4.238 13.550 1.00 0.00 H new ATOM 0 HE1 HIS A 142 141.962 4.321 12.410 1.00 0.00 H new ATOM 0 HE2 HIS A 142 140.352 4.235 14.382 1.00 0.00 H new ATOM 2236 N HIS A 143 136.759 1.884 11.954 1.00 0.00 N ATOM 2237 CA HIS A 143 135.874 1.173 12.866 1.00 0.00 C ATOM 2238 C HIS A 143 136.120 1.692 14.276 1.00 0.00 C ATOM 2239 O HIS A 143 136.711 2.757 14.440 1.00 0.00 O ATOM 2240 CB HIS A 143 136.121 -0.343 12.797 1.00 0.00 C ATOM 2241 CG HIS A 143 137.562 -0.737 12.956 1.00 0.00 C ATOM 2242 ND1 HIS A 143 138.166 -0.947 14.178 1.00 0.00 N ATOM 2243 CD2 HIS A 143 138.522 -0.950 12.028 1.00 0.00 C ATOM 2244 CE1 HIS A 143 139.432 -1.268 13.992 1.00 0.00 C ATOM 2245 NE2 HIS A 143 139.675 -1.277 12.695 1.00 0.00 N ATOM 0 H HIS A 143 137.638 2.175 12.382 1.00 0.00 H new ATOM 0 HA HIS A 143 134.836 1.348 12.582 1.00 0.00 H new ATOM 0 HB2 HIS A 143 135.534 -0.832 13.574 1.00 0.00 H new ATOM 0 HB3 HIS A 143 135.757 -0.717 11.840 1.00 0.00 H new ATOM 0 HD1 HIS A 143 137.705 -0.867 15.085 1.00 0.00 H new ATOM 0 HD2 HIS A 143 138.403 -0.876 10.957 1.00 0.00 H new ATOM 0 HE1 HIS A 143 140.149 -1.487 14.770 1.00 0.00 H new ATOM 2254 N HIS A 144 135.683 0.959 15.285 1.00 0.00 N ATOM 2255 CA HIS A 144 135.964 1.352 16.659 1.00 0.00 C ATOM 2256 C HIS A 144 137.444 1.173 16.962 1.00 0.00 C ATOM 2257 O HIS A 144 137.978 0.070 16.821 1.00 0.00 O ATOM 2258 CB HIS A 144 135.113 0.556 17.651 1.00 0.00 C ATOM 2259 CG HIS A 144 133.688 1.007 17.705 1.00 0.00 C ATOM 2260 ND1 HIS A 144 133.320 2.255 18.154 1.00 0.00 N ATOM 2261 CD2 HIS A 144 132.538 0.380 17.361 1.00 0.00 C ATOM 2262 CE1 HIS A 144 132.010 2.378 18.086 1.00 0.00 C ATOM 2263 NE2 HIS A 144 131.510 1.256 17.607 1.00 0.00 N ATOM 0 H HIS A 144 135.140 0.101 15.185 1.00 0.00 H new ATOM 0 HA HIS A 144 135.704 2.405 16.770 1.00 0.00 H new ATOM 0 HB2 HIS A 144 135.143 -0.499 17.379 1.00 0.00 H new ATOM 0 HB3 HIS A 144 135.552 0.641 18.645 1.00 0.00 H new ATOM 0 HD2 HIS A 144 132.447 -0.621 16.967 1.00 0.00 H new ATOM 0 HE1 HIS A 144 131.442 3.250 18.374 1.00 0.00 H new ATOM 0 HE2 HIS A 144 130.520 1.069 17.445 1.00 0.00 H new ATOM 2272 N HIS A 145 138.093 2.274 17.343 1.00 0.00 N ATOM 2273 CA HIS A 145 139.525 2.298 17.653 1.00 0.00 C ATOM 2274 C HIS A 145 140.354 1.979 16.407 1.00 0.00 C ATOM 2275 O HIS A 145 140.791 0.820 16.253 1.00 0.00 O ATOM 2276 CB HIS A 145 139.854 1.317 18.786 1.00 0.00 C ATOM 2277 CG HIS A 145 141.160 1.591 19.474 1.00 0.00 C ATOM 2278 ND1 HIS A 145 141.253 1.852 20.825 1.00 0.00 N ATOM 2279 CD2 HIS A 145 142.431 1.631 19.001 1.00 0.00 C ATOM 2280 CE1 HIS A 145 142.517 2.039 21.151 1.00 0.00 C ATOM 2281 NE2 HIS A 145 143.251 1.911 20.063 1.00 0.00 N ATOM 2282 OXT HIS A 145 140.559 2.892 15.582 1.00 0.00 O ATOM 0 H HIS A 145 137.638 3.181 17.446 1.00 0.00 H new ATOM 0 HA HIS A 145 139.782 3.303 17.987 1.00 0.00 H new ATOM 0 HB2 HIS A 145 139.053 1.349 19.524 1.00 0.00 H new ATOM 0 HB3 HIS A 145 139.874 0.305 18.382 1.00 0.00 H new ATOM 0 HD2 HIS A 145 142.739 1.472 17.978 1.00 0.00 H new ATOM 0 HE1 HIS A 145 142.888 2.260 22.141 1.00 0.00 H new ATOM 0 HE2 HIS A 145 144.266 2.005 20.019 1.00 0.00 H new TER 2291 HIS A 145