USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1100 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 93 HIS :FLIP no HD1:sc= -0.208 F(o=-2.4,f=-0.41) USER MOD Set 1.2: A 95 THR OG1 : rot -171:sc= -0.204 USER MOD Set 2.1: A 14 SER OG : rot 80:sc= -4.93! USER MOD Set 2.2: A 27 ASN : amide:sc= -0.497 K(o=-5.3,f=-10) USER MOD Set 2.3: A 76 THR OG1 : rot 6:sc= -0.069! USER MOD Set 2.4: A 124 LYS NZ :NH3+ 153:sc= 0.149 (180deg=-0.185) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.277 USER MOD Single : A 3 SER OG : rot 56:sc= 0.0346 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -12:sc= 0.384 USER MOD Single : A 18 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.9) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0407) USER MOD Single : A 37 MET CE :methyl 152:sc= -1.55 (180deg=-1.62) USER MOD Single : A 40 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.8!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -129:sc= -1.97 (180deg=-5.32!) USER MOD Single : A 43 THR OG1 : rot 107:sc= -1.93! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -0.904 (180deg=-0.904) USER MOD Single : A 50 MET CE :methyl 136:sc= -0.813 (180deg=-2.56) USER MOD Single : A 51 THR OG1 : rot -11:sc= -0.776 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0637 X(o=-0.064,f=-0.32) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 25:sc= 0.327 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 80 TYR OH : rot 130:sc= 0 USER MOD Single : A 84 TYR OH : rot 150:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.0325 K(o=-0.033,f=-2.8!) USER MOD Single : A 88 GLN :FLIP amide:sc= -1.16 F(o=-1.8,f=-1.2) USER MOD Single : A 98 SER OG : rot -150:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 80:sc= 0.00259 USER MOD Single : A 121 SER OG : rot 180:sc= -0.231 USER MOD Single : A 125 MET CE :methyl -159:sc= -7.18! (180deg=-9.18!) USER MOD Single : A 127 MET CE :methyl -148:sc= -2.8! (180deg=-4.4!) USER MOD Single : A 128 ASN : amide:sc=-0.00925 X(o=-0.0092,f=0) USER MOD Single : A 133 SER OG : rot 180:sc=-0.00427 USER MOD Single : A 136 SER OG : rot 20:sc= 1.14 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.316 -14.586 22.278 1.00 0.00 N ATOM 2 CA GLY A 1 -14.472 -15.586 21.236 1.00 0.00 C ATOM 3 C GLY A 1 -13.357 -15.471 20.194 1.00 0.00 C ATOM 4 O GLY A 1 -12.542 -14.551 20.251 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.189 -15.058 23.196 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.483 -13.998 22.073 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.164 -13.985 22.312 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.460 -16.582 21.678 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.441 -15.464 20.752 1.00 0.00 H new ATOM 8 N SER A 2 -13.358 -16.417 19.266 1.00 0.00 N ATOM 9 CA SER A 2 -12.357 -16.432 18.213 1.00 0.00 C ATOM 10 C SER A 2 -12.821 -17.329 17.063 1.00 0.00 C ATOM 11 O SER A 2 -12.855 -18.551 17.199 1.00 0.00 O ATOM 12 CB SER A 2 -11.004 -16.910 18.745 1.00 0.00 C ATOM 13 OG SER A 2 -11.113 -18.145 19.447 1.00 0.00 O ATOM 0 H SER A 2 -14.036 -17.178 19.222 1.00 0.00 H new ATOM 0 HA SER A 2 -12.233 -15.414 17.845 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.308 -17.025 17.914 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.587 -16.152 19.408 1.00 0.00 H new ATOM 0 HG SER A 2 -11.777 -18.715 19.005 1.00 0.00 H new ATOM 19 N SER A 3 -13.167 -16.687 15.957 1.00 0.00 N ATOM 20 CA SER A 3 -13.628 -17.411 14.785 1.00 0.00 C ATOM 21 C SER A 3 -13.776 -16.452 13.602 1.00 0.00 C ATOM 22 O SER A 3 -13.693 -15.236 13.770 1.00 0.00 O ATOM 23 CB SER A 3 -14.955 -18.120 15.061 1.00 0.00 C ATOM 24 OG SER A 3 -14.809 -19.538 15.081 1.00 0.00 O ATOM 0 H SER A 3 -13.137 -15.673 15.848 1.00 0.00 H new ATOM 0 HA SER A 3 -12.886 -18.170 14.539 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.354 -17.783 16.018 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.681 -17.841 14.297 1.00 0.00 H new ATOM 0 HG SER A 3 -14.127 -19.787 15.739 1.00 0.00 H new ATOM 30 N GLY A 4 -13.991 -17.035 12.432 1.00 0.00 N ATOM 31 CA GLY A 4 -14.151 -16.247 11.221 1.00 0.00 C ATOM 32 C GLY A 4 -15.560 -16.404 10.647 1.00 0.00 C ATOM 33 O GLY A 4 -16.212 -17.425 10.862 1.00 0.00 O ATOM 0 H GLY A 4 -14.058 -18.044 12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.958 -15.196 11.438 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.416 -16.560 10.480 1.00 0.00 H new ATOM 37 N SER A 5 -15.990 -15.378 9.927 1.00 0.00 N ATOM 38 CA SER A 5 -17.310 -15.389 9.321 1.00 0.00 C ATOM 39 C SER A 5 -17.334 -14.463 8.103 1.00 0.00 C ATOM 40 O SER A 5 -17.195 -13.249 8.239 1.00 0.00 O ATOM 41 CB SER A 5 -18.382 -14.969 10.328 1.00 0.00 C ATOM 42 OG SER A 5 -19.693 -15.314 9.886 1.00 0.00 O ATOM 0 H SER A 5 -15.447 -14.533 9.750 1.00 0.00 H new ATOM 0 HA SER A 5 -17.531 -16.407 9.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.185 -15.447 11.288 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.325 -13.893 10.490 1.00 0.00 H new ATOM 0 HG SER A 5 -20.349 -15.031 10.557 1.00 0.00 H new ATOM 48 N SER A 6 -17.511 -15.072 6.940 1.00 0.00 N ATOM 49 CA SER A 6 -17.555 -14.318 5.699 1.00 0.00 C ATOM 50 C SER A 6 -16.202 -13.651 5.443 1.00 0.00 C ATOM 51 O SER A 6 -15.345 -13.622 6.325 1.00 0.00 O ATOM 52 CB SER A 6 -18.667 -13.267 5.732 1.00 0.00 C ATOM 53 OG SER A 6 -19.828 -13.695 5.026 1.00 0.00 O ATOM 0 H SER A 6 -17.626 -16.080 6.831 1.00 0.00 H new ATOM 0 HA SER A 6 -17.771 -15.011 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.931 -13.052 6.767 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.300 -12.338 5.297 1.00 0.00 H new ATOM 0 HG SER A 6 -20.515 -12.997 5.072 1.00 0.00 H new ATOM 59 N GLY A 7 -16.053 -13.133 4.233 1.00 0.00 N ATOM 60 CA GLY A 7 -14.819 -12.468 3.851 1.00 0.00 C ATOM 61 C GLY A 7 -15.022 -10.956 3.736 1.00 0.00 C ATOM 62 O GLY A 7 -16.104 -10.498 3.370 1.00 0.00 O ATOM 0 H GLY A 7 -16.766 -13.160 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.045 -12.679 4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.468 -12.865 2.898 1.00 0.00 H new ATOM 66 N LEU A 8 -13.966 -10.223 4.055 1.00 0.00 N ATOM 67 CA LEU A 8 -14.016 -8.772 3.992 1.00 0.00 C ATOM 68 C LEU A 8 -13.969 -8.328 2.529 1.00 0.00 C ATOM 69 O LEU A 8 -15.005 -8.225 1.874 1.00 0.00 O ATOM 70 CB LEU A 8 -12.912 -8.160 4.856 1.00 0.00 C ATOM 71 CG LEU A 8 -13.087 -8.304 6.369 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.475 -7.834 6.808 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.798 -9.737 6.821 1.00 0.00 C ATOM 0 H LEU A 8 -13.071 -10.606 4.358 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.954 -8.405 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.963 -8.617 4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.838 -7.099 4.618 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.358 -7.658 6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.573 -7.947 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.606 -6.786 6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.237 -8.434 6.310 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.930 -9.812 7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.485 -10.421 6.323 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.773 -10.001 6.562 1.00 0.00 H new ATOM 85 N GLY A 9 -12.756 -8.076 2.059 1.00 0.00 N ATOM 86 CA GLY A 9 -12.561 -7.645 0.685 1.00 0.00 C ATOM 87 C GLY A 9 -11.155 -7.997 0.194 1.00 0.00 C ATOM 88 O GLY A 9 -10.435 -8.749 0.850 1.00 0.00 O ATOM 0 H GLY A 9 -11.899 -8.162 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.303 -8.119 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.717 -6.569 0.612 1.00 0.00 H new ATOM 92 N THR A 10 -10.806 -7.437 -0.955 1.00 0.00 N ATOM 93 CA THR A 10 -9.499 -7.682 -1.540 1.00 0.00 C ATOM 94 C THR A 10 -8.756 -6.363 -1.760 1.00 0.00 C ATOM 95 O THR A 10 -9.370 -5.297 -1.784 1.00 0.00 O ATOM 96 CB THR A 10 -9.701 -8.487 -2.826 1.00 0.00 C ATOM 97 OG1 THR A 10 -10.282 -9.710 -2.382 1.00 0.00 O ATOM 98 CG2 THR A 10 -8.377 -8.913 -3.464 1.00 0.00 C ATOM 0 H THR A 10 -11.406 -6.814 -1.496 1.00 0.00 H new ATOM 0 HA THR A 10 -8.869 -8.265 -0.869 1.00 0.00 H new ATOM 0 HB THR A 10 -10.273 -7.894 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.448 -10.292 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.577 -9.481 -4.373 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.791 -8.028 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.819 -9.534 -2.764 1.00 0.00 H new ATOM 106 N LEU A 11 -7.445 -6.477 -1.915 1.00 0.00 N ATOM 107 CA LEU A 11 -6.613 -5.307 -2.131 1.00 0.00 C ATOM 108 C LEU A 11 -5.809 -5.489 -3.420 1.00 0.00 C ATOM 109 O LEU A 11 -5.432 -6.608 -3.768 1.00 0.00 O ATOM 110 CB LEU A 11 -5.746 -5.030 -0.901 1.00 0.00 C ATOM 111 CG LEU A 11 -4.375 -4.408 -1.172 1.00 0.00 C ATOM 112 CD1 LEU A 11 -4.517 -3.010 -1.776 1.00 0.00 C ATOM 113 CD2 LEU A 11 -3.516 -4.400 0.095 1.00 0.00 C ATOM 0 H LEU A 11 -6.939 -7.362 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.232 -4.420 -2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.298 -4.368 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.598 -5.969 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.859 -5.026 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.528 -2.590 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.064 -3.074 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.061 -2.368 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.547 -3.953 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.016 -3.819 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.373 -5.423 0.444 1.00 0.00 H new ATOM 125 N PHE A 12 -5.570 -4.374 -4.094 1.00 0.00 N ATOM 126 CA PHE A 12 -4.819 -4.397 -5.338 1.00 0.00 C ATOM 127 C PHE A 12 -3.673 -3.383 -5.304 1.00 0.00 C ATOM 128 O PHE A 12 -3.850 -2.255 -4.848 1.00 0.00 O ATOM 129 CB PHE A 12 -5.790 -4.014 -6.455 1.00 0.00 C ATOM 130 CG PHE A 12 -7.080 -4.837 -6.468 1.00 0.00 C ATOM 131 CD1 PHE A 12 -7.026 -6.188 -6.324 1.00 0.00 C ATOM 132 CD2 PHE A 12 -8.281 -4.217 -6.624 1.00 0.00 C ATOM 133 CE1 PHE A 12 -8.222 -6.952 -6.336 1.00 0.00 C ATOM 134 CE2 PHE A 12 -9.477 -4.982 -6.636 1.00 0.00 C ATOM 135 CZ PHE A 12 -9.423 -6.333 -6.492 1.00 0.00 C ATOM 0 H PHE A 12 -5.883 -3.448 -3.802 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.390 -5.386 -5.495 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.045 -2.959 -6.355 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.287 -4.130 -7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.073 -6.680 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.325 -3.144 -6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.178 -8.025 -6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.431 -4.490 -6.760 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.333 -6.914 -6.501 1.00 0.00 H new ATOM 145 N PHE A 13 -2.523 -3.822 -5.794 1.00 0.00 N ATOM 146 CA PHE A 13 -1.348 -2.968 -5.826 1.00 0.00 C ATOM 147 C PHE A 13 -0.239 -3.591 -6.676 1.00 0.00 C ATOM 148 O PHE A 13 -0.240 -4.798 -6.916 1.00 0.00 O ATOM 149 CB PHE A 13 -0.854 -2.832 -4.384 1.00 0.00 C ATOM 150 CG PHE A 13 -0.427 -4.155 -3.746 1.00 0.00 C ATOM 151 CD1 PHE A 13 -1.366 -5.072 -3.387 1.00 0.00 C ATOM 152 CD2 PHE A 13 0.892 -4.415 -3.536 1.00 0.00 C ATOM 153 CE1 PHE A 13 -0.969 -6.300 -2.795 1.00 0.00 C ATOM 154 CE2 PHE A 13 1.288 -5.643 -2.944 1.00 0.00 C ATOM 155 CZ PHE A 13 0.349 -6.560 -2.586 1.00 0.00 C ATOM 0 H PHE A 13 -2.380 -4.758 -6.172 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.603 -2.002 -6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.011 -2.141 -4.363 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.645 -2.388 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.413 -4.866 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.638 -3.687 -3.820 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.714 -7.028 -2.511 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.335 -5.849 -2.778 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.650 -7.494 -2.136 1.00 0.00 H new ATOM 165 N SER A 14 0.680 -2.741 -7.108 1.00 0.00 N ATOM 166 CA SER A 14 1.793 -3.193 -7.926 1.00 0.00 C ATOM 167 C SER A 14 3.090 -2.529 -7.459 1.00 0.00 C ATOM 168 O SER A 14 3.199 -1.304 -7.461 1.00 0.00 O ATOM 169 CB SER A 14 1.545 -2.894 -9.406 1.00 0.00 C ATOM 170 OG SER A 14 0.219 -2.431 -9.643 1.00 0.00 O ATOM 0 H SER A 14 0.677 -1.741 -6.907 1.00 0.00 H new ATOM 0 HA SER A 14 1.885 -4.273 -7.812 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.257 -2.143 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.725 -3.795 -9.993 1.00 0.00 H new ATOM 0 HG SER A 14 0.158 -1.480 -9.412 1.00 0.00 H new ATOM 176 N LEU A 15 4.040 -3.367 -7.072 1.00 0.00 N ATOM 177 CA LEU A 15 5.325 -2.876 -6.603 1.00 0.00 C ATOM 178 C LEU A 15 6.165 -2.435 -7.803 1.00 0.00 C ATOM 179 O LEU A 15 6.186 -3.109 -8.832 1.00 0.00 O ATOM 180 CB LEU A 15 6.011 -3.924 -5.724 1.00 0.00 C ATOM 181 CG LEU A 15 5.344 -4.210 -4.378 1.00 0.00 C ATOM 182 CD1 LEU A 15 4.521 -3.009 -3.907 1.00 0.00 C ATOM 183 CD2 LEU A 15 4.506 -5.489 -4.441 1.00 0.00 C ATOM 0 H LEU A 15 3.946 -4.383 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 15 5.190 -2.000 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.069 -4.857 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.035 -3.600 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 15 6.127 -4.374 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.058 -3.239 -2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.173 -2.142 -3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.746 -2.789 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.043 -5.669 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.730 -5.379 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.147 -6.332 -4.699 1.00 0.00 H new ATOM 195 N GLU A 16 6.837 -1.306 -7.631 1.00 0.00 N ATOM 196 CA GLU A 16 7.677 -0.767 -8.687 1.00 0.00 C ATOM 197 C GLU A 16 8.919 -0.102 -8.091 1.00 0.00 C ATOM 198 O GLU A 16 8.808 0.768 -7.229 1.00 0.00 O ATOM 199 CB GLU A 16 6.896 0.216 -9.561 1.00 0.00 C ATOM 200 CG GLU A 16 7.831 0.974 -10.505 1.00 0.00 C ATOM 201 CD GLU A 16 7.340 0.888 -11.951 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.208 1.359 -12.195 1.00 0.00 O ATOM 203 OE2 GLU A 16 8.107 0.352 -12.780 1.00 0.00 O ATOM 0 H GLU A 16 6.817 -0.750 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 16 8.000 -1.591 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.147 -0.323 -10.141 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.360 0.924 -8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.892 2.019 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.837 0.561 -10.434 1.00 0.00 H new ATOM 210 N TYR A 17 10.074 -0.538 -8.572 1.00 0.00 N ATOM 211 CA TYR A 17 11.335 0.004 -8.097 1.00 0.00 C ATOM 212 C TYR A 17 11.919 0.998 -9.103 1.00 0.00 C ATOM 213 O TYR A 17 12.119 0.661 -10.269 1.00 0.00 O ATOM 214 CB TYR A 17 12.285 -1.189 -7.968 1.00 0.00 C ATOM 215 CG TYR A 17 13.608 -0.859 -7.275 1.00 0.00 C ATOM 216 CD1 TYR A 17 13.649 -0.699 -5.905 1.00 0.00 C ATOM 217 CD2 TYR A 17 14.762 -0.721 -8.021 1.00 0.00 C ATOM 218 CE1 TYR A 17 14.895 -0.388 -5.253 1.00 0.00 C ATOM 219 CE2 TYR A 17 16.007 -0.410 -7.369 1.00 0.00 C ATOM 220 CZ TYR A 17 16.013 -0.259 -6.017 1.00 0.00 C ATOM 221 OH TYR A 17 17.189 0.035 -5.401 1.00 0.00 O ATOM 0 H TYR A 17 10.163 -1.261 -9.286 1.00 0.00 H new ATOM 0 HA TYR A 17 11.194 0.531 -7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.783 -1.981 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 17 12.496 -1.582 -8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.747 -0.807 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 17 14.730 -0.846 -9.093 1.00 0.00 H new ATOM 0 HE1 TYR A 17 14.941 -0.260 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.917 -0.299 -7.941 1.00 0.00 H new ATOM 0 HH TYR A 17 17.015 0.305 -4.475 1.00 0.00 H new ATOM 231 N ASN A 18 12.175 2.203 -8.616 1.00 0.00 N ATOM 232 CA ASN A 18 12.732 3.248 -9.458 1.00 0.00 C ATOM 233 C ASN A 18 14.184 2.905 -9.796 1.00 0.00 C ATOM 234 O ASN A 18 15.097 3.657 -9.460 1.00 0.00 O ATOM 235 CB ASN A 18 12.720 4.599 -8.739 1.00 0.00 C ATOM 236 CG ASN A 18 12.867 5.751 -9.735 1.00 0.00 C ATOM 237 OD1 ASN A 18 13.241 5.570 -10.882 1.00 0.00 O ATOM 238 ND2 ASN A 18 12.553 6.942 -9.234 1.00 0.00 N ATOM 0 H ASN A 18 12.007 2.479 -7.649 1.00 0.00 H new ATOM 0 HA ASN A 18 12.124 3.314 -10.360 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.789 4.711 -8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 18 13.532 4.636 -8.013 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.618 7.775 -9.819 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.247 7.023 -8.264 1.00 0.00 H new ATOM 245 N PHE A 19 14.352 1.770 -10.457 1.00 0.00 N ATOM 246 CA PHE A 19 15.677 1.318 -10.845 1.00 0.00 C ATOM 247 C PHE A 19 16.519 2.481 -11.375 1.00 0.00 C ATOM 248 O PHE A 19 17.682 2.631 -11.003 1.00 0.00 O ATOM 249 CB PHE A 19 15.491 0.288 -11.961 1.00 0.00 C ATOM 250 CG PHE A 19 14.950 -1.060 -11.480 1.00 0.00 C ATOM 251 CD1 PHE A 19 15.789 -1.962 -10.903 1.00 0.00 C ATOM 252 CD2 PHE A 19 13.631 -1.355 -11.628 1.00 0.00 C ATOM 253 CE1 PHE A 19 15.288 -3.213 -10.457 1.00 0.00 C ATOM 254 CE2 PHE A 19 13.130 -2.607 -11.181 1.00 0.00 C ATOM 255 CZ PHE A 19 13.968 -3.509 -10.605 1.00 0.00 C ATOM 0 H PHE A 19 13.592 1.149 -10.734 1.00 0.00 H new ATOM 0 HA PHE A 19 16.192 0.894 -9.983 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.810 0.696 -12.708 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.448 0.128 -12.457 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.836 -1.726 -10.784 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.965 -0.638 -12.085 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.954 -3.930 -10.000 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.083 -2.842 -11.299 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.586 -4.460 -10.265 1.00 0.00 H new ATOM 265 N GLU A 20 15.899 3.274 -12.237 1.00 0.00 N ATOM 266 CA GLU A 20 16.576 4.418 -12.823 1.00 0.00 C ATOM 267 C GLU A 20 17.291 5.225 -11.737 1.00 0.00 C ATOM 268 O GLU A 20 18.439 5.628 -11.913 1.00 0.00 O ATOM 269 CB GLU A 20 15.595 5.296 -13.602 1.00 0.00 C ATOM 270 CG GLU A 20 16.332 6.403 -14.358 1.00 0.00 C ATOM 271 CD GLU A 20 16.077 6.303 -15.863 1.00 0.00 C ATOM 272 OE1 GLU A 20 15.061 6.881 -16.307 1.00 0.00 O ATOM 273 OE2 GLU A 20 16.904 5.650 -16.537 1.00 0.00 O ATOM 0 H GLU A 20 14.935 3.146 -12.544 1.00 0.00 H new ATOM 0 HA GLU A 20 17.323 4.052 -13.527 1.00 0.00 H new ATOM 0 HB2 GLU A 20 15.032 4.683 -14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.873 5.738 -12.916 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.005 7.377 -13.994 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.402 6.332 -14.161 1.00 0.00 H new ATOM 280 N ARG A 21 16.581 5.435 -10.638 1.00 0.00 N ATOM 281 CA ARG A 21 17.133 6.187 -9.523 1.00 0.00 C ATOM 282 C ARG A 21 17.299 5.280 -8.302 1.00 0.00 C ATOM 283 O ARG A 21 17.329 5.758 -7.169 1.00 0.00 O ATOM 284 CB ARG A 21 16.233 7.367 -9.155 1.00 0.00 C ATOM 285 CG ARG A 21 15.806 8.142 -10.403 1.00 0.00 C ATOM 286 CD ARG A 21 14.725 9.172 -10.067 1.00 0.00 C ATOM 287 NE ARG A 21 15.292 10.537 -10.122 1.00 0.00 N ATOM 288 CZ ARG A 21 15.785 11.102 -11.233 1.00 0.00 C ATOM 289 NH1 ARG A 21 15.783 10.422 -12.387 1.00 0.00 N ATOM 290 NH2 ARG A 21 16.280 12.346 -11.189 1.00 0.00 N ATOM 0 H ARG A 21 15.629 5.098 -10.496 1.00 0.00 H new ATOM 0 HA ARG A 21 18.106 6.570 -9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.350 7.005 -8.628 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.761 8.033 -8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.670 8.645 -10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.431 7.448 -11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.897 9.085 -10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.321 8.977 -9.073 1.00 0.00 H new ATOM 0 HE ARG A 21 15.309 11.083 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 21 15.406 9.475 -12.420 1.00 0.00 H new ATOM 0 HH12 ARG A 21 16.158 10.852 -13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.282 12.863 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 21 16.655 12.776 -12.035 1.00 0.00 H new ATOM 304 N LYS A 22 17.403 3.987 -8.574 1.00 0.00 N ATOM 305 CA LYS A 22 17.565 3.009 -7.512 1.00 0.00 C ATOM 306 C LYS A 22 16.712 3.422 -6.310 1.00 0.00 C ATOM 307 O LYS A 22 17.244 3.755 -5.253 1.00 0.00 O ATOM 308 CB LYS A 22 19.046 2.821 -7.179 1.00 0.00 C ATOM 309 CG LYS A 22 19.684 1.772 -8.093 1.00 0.00 C ATOM 310 CD LYS A 22 20.353 0.666 -7.274 1.00 0.00 C ATOM 311 CE LYS A 22 20.998 -0.378 -8.188 1.00 0.00 C ATOM 312 NZ LYS A 22 22.262 -0.874 -7.598 1.00 0.00 N ATOM 0 H LYS A 22 17.378 3.594 -9.515 1.00 0.00 H new ATOM 0 HA LYS A 22 17.208 2.031 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.570 3.770 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.153 2.515 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 22 18.923 1.339 -8.742 1.00 0.00 H new ATOM 0 HG3 LYS A 22 20.422 2.248 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.110 1.100 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.614 0.186 -6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 22 20.311 -1.210 -8.342 1.00 0.00 H new ATOM 0 HE3 LYS A 22 21.194 0.059 -9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 22.686 -1.582 -8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 22.922 -0.080 -7.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 22.066 -1.309 -6.674 1.00 0.00 H new ATOM 326 N ALA A 23 15.403 3.386 -6.514 1.00 0.00 N ATOM 327 CA ALA A 23 14.472 3.752 -5.460 1.00 0.00 C ATOM 328 C ALA A 23 13.329 2.736 -5.420 1.00 0.00 C ATOM 329 O ALA A 23 13.192 1.914 -6.326 1.00 0.00 O ATOM 330 CB ALA A 23 13.974 5.180 -5.692 1.00 0.00 C ATOM 0 H ALA A 23 14.966 3.109 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 23 14.965 3.732 -4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.276 5.455 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.821 5.867 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.471 5.237 -6.657 1.00 0.00 H new ATOM 336 N PHE A 24 12.538 2.824 -4.361 1.00 0.00 N ATOM 337 CA PHE A 24 11.411 1.922 -4.191 1.00 0.00 C ATOM 338 C PHE A 24 10.084 2.671 -4.327 1.00 0.00 C ATOM 339 O PHE A 24 9.855 3.665 -3.639 1.00 0.00 O ATOM 340 CB PHE A 24 11.513 1.341 -2.779 1.00 0.00 C ATOM 341 CG PHE A 24 10.412 0.334 -2.441 1.00 0.00 C ATOM 342 CD1 PHE A 24 9.823 -0.388 -3.431 1.00 0.00 C ATOM 343 CD2 PHE A 24 10.023 0.160 -1.149 1.00 0.00 C ATOM 344 CE1 PHE A 24 8.801 -1.323 -3.117 1.00 0.00 C ATOM 345 CE2 PHE A 24 9.002 -0.775 -0.835 1.00 0.00 C ATOM 346 CZ PHE A 24 8.412 -1.497 -1.826 1.00 0.00 C ATOM 0 H PHE A 24 12.655 3.506 -3.612 1.00 0.00 H new ATOM 0 HA PHE A 24 11.438 1.144 -4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.482 0.856 -2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 24 11.479 2.157 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 24 10.132 -0.251 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.491 0.733 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.333 -1.896 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.693 -0.913 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.635 -2.208 -1.587 1.00 0.00 H new ATOM 356 N VAL A 25 9.245 2.166 -5.219 1.00 0.00 N ATOM 357 CA VAL A 25 7.946 2.775 -5.454 1.00 0.00 C ATOM 358 C VAL A 25 6.849 1.740 -5.198 1.00 0.00 C ATOM 359 O VAL A 25 6.817 0.692 -5.841 1.00 0.00 O ATOM 360 CB VAL A 25 7.893 3.366 -6.864 1.00 0.00 C ATOM 361 CG1 VAL A 25 6.838 4.470 -6.956 1.00 0.00 C ATOM 362 CG2 VAL A 25 9.267 3.884 -7.294 1.00 0.00 C ATOM 0 H VAL A 25 9.439 1.342 -5.788 1.00 0.00 H new ATOM 0 HA VAL A 25 7.781 3.602 -4.763 1.00 0.00 H new ATOM 0 HB VAL A 25 7.606 2.569 -7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.821 4.873 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.858 4.058 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.082 5.266 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.201 4.299 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.596 4.660 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.984 3.063 -7.286 1.00 0.00 H new ATOM 372 N VAL A 26 5.976 2.070 -4.257 1.00 0.00 N ATOM 373 CA VAL A 26 4.880 1.183 -3.908 1.00 0.00 C ATOM 374 C VAL A 26 3.560 1.801 -4.376 1.00 0.00 C ATOM 375 O VAL A 26 3.004 2.667 -3.702 1.00 0.00 O ATOM 376 CB VAL A 26 4.903 0.887 -2.407 1.00 0.00 C ATOM 377 CG1 VAL A 26 3.753 -0.041 -2.013 1.00 0.00 C ATOM 378 CG2 VAL A 26 6.251 0.299 -1.985 1.00 0.00 C ATOM 0 H VAL A 26 6.006 2.940 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 26 4.988 0.225 -4.416 1.00 0.00 H new ATOM 0 HB VAL A 26 4.768 1.830 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.793 -0.235 -0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.803 0.432 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.843 -0.982 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.241 0.098 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.428 -0.630 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.045 1.010 -2.213 1.00 0.00 H new ATOM 388 N ASN A 27 3.099 1.332 -5.525 1.00 0.00 N ATOM 389 CA ASN A 27 1.855 1.827 -6.090 1.00 0.00 C ATOM 390 C ASN A 27 0.679 1.086 -5.452 1.00 0.00 C ATOM 391 O ASN A 27 0.491 -0.107 -5.688 1.00 0.00 O ATOM 392 CB ASN A 27 1.802 1.588 -7.601 1.00 0.00 C ATOM 393 CG ASN A 27 0.397 1.846 -8.148 1.00 0.00 C ATOM 394 OD1 ASN A 27 -0.082 1.171 -9.045 1.00 0.00 O ATOM 395 ND2 ASN A 27 -0.236 2.857 -7.559 1.00 0.00 N ATOM 0 H ASN A 27 3.564 0.614 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 27 1.798 2.897 -5.892 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.517 2.242 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.099 0.563 -7.821 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.180 3.108 -7.852 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.223 3.381 -6.814 1.00 0.00 H new ATOM 402 N ILE A 28 -0.083 1.823 -4.658 1.00 0.00 N ATOM 403 CA ILE A 28 -1.236 1.250 -3.984 1.00 0.00 C ATOM 404 C ILE A 28 -2.490 1.502 -4.824 1.00 0.00 C ATOM 405 O ILE A 28 -3.036 2.604 -4.815 1.00 0.00 O ATOM 406 CB ILE A 28 -1.339 1.780 -2.553 1.00 0.00 C ATOM 407 CG1 ILE A 28 -0.140 1.330 -1.714 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.669 1.378 -1.913 1.00 0.00 C ATOM 409 CD1 ILE A 28 -0.288 1.783 -0.260 1.00 0.00 C ATOM 0 H ILE A 28 0.075 2.812 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.125 0.170 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.316 2.869 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.051 0.244 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.778 1.741 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.716 1.768 -0.896 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.493 1.788 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.747 0.291 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.577 1.451 0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.352 2.870 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.194 1.351 0.165 1.00 0.00 H new ATOM 421 N LYS A 29 -2.909 0.462 -5.531 1.00 0.00 N ATOM 422 CA LYS A 29 -4.087 0.558 -6.375 1.00 0.00 C ATOM 423 C LYS A 29 -5.310 0.854 -5.505 1.00 0.00 C ATOM 424 O LYS A 29 -5.245 1.681 -4.597 1.00 0.00 O ATOM 425 CB LYS A 29 -4.234 -0.700 -7.234 1.00 0.00 C ATOM 426 CG LYS A 29 -4.973 -0.391 -8.538 1.00 0.00 C ATOM 427 CD LYS A 29 -4.353 -1.149 -9.713 1.00 0.00 C ATOM 428 CE LYS A 29 -5.354 -2.132 -10.321 1.00 0.00 C ATOM 429 NZ LYS A 29 -6.445 -1.403 -11.007 1.00 0.00 N ATOM 0 H LYS A 29 -2.453 -0.451 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.986 1.386 -7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.249 -1.109 -7.458 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.776 -1.464 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.023 -0.664 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.940 0.681 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.025 -0.441 -10.474 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.468 -1.688 -9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.846 -2.787 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.769 -2.768 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.979 -2.063 -11.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.083 -0.986 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.041 -0.647 -11.596 1.00 0.00 H new ATOM 443 N GLU A 30 -6.397 0.162 -5.812 1.00 0.00 N ATOM 444 CA GLU A 30 -7.633 0.340 -5.069 1.00 0.00 C ATOM 445 C GLU A 30 -7.978 -0.935 -4.298 1.00 0.00 C ATOM 446 O GLU A 30 -7.302 -1.953 -4.441 1.00 0.00 O ATOM 447 CB GLU A 30 -8.779 0.746 -5.999 1.00 0.00 C ATOM 448 CG GLU A 30 -9.188 -0.418 -6.904 1.00 0.00 C ATOM 449 CD GLU A 30 -10.172 0.044 -7.980 1.00 0.00 C ATOM 450 OE1 GLU A 30 -11.383 0.063 -7.672 1.00 0.00 O ATOM 451 OE2 GLU A 30 -9.692 0.369 -9.088 1.00 0.00 O ATOM 0 H GLU A 30 -6.448 -0.523 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.489 1.147 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.635 1.070 -5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.473 1.596 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.303 -0.846 -7.375 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.643 -1.207 -6.305 1.00 0.00 H new ATOM 458 N ALA A 31 -9.030 -0.839 -3.498 1.00 0.00 N ATOM 459 CA ALA A 31 -9.473 -1.973 -2.705 1.00 0.00 C ATOM 460 C ALA A 31 -10.970 -2.195 -2.932 1.00 0.00 C ATOM 461 O ALA A 31 -11.740 -1.238 -2.999 1.00 0.00 O ATOM 462 CB ALA A 31 -9.136 -1.728 -1.232 1.00 0.00 C ATOM 0 H ALA A 31 -9.588 0.007 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.955 -2.882 -3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.468 -2.578 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.059 -1.606 -1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.641 -0.825 -0.889 1.00 0.00 H new ATOM 468 N ARG A 32 -11.337 -3.463 -3.043 1.00 0.00 N ATOM 469 CA ARG A 32 -12.727 -3.823 -3.261 1.00 0.00 C ATOM 470 C ARG A 32 -13.149 -4.925 -2.287 1.00 0.00 C ATOM 471 O ARG A 32 -12.409 -5.884 -2.070 1.00 0.00 O ATOM 472 CB ARG A 32 -12.953 -4.306 -4.695 1.00 0.00 C ATOM 473 CG ARG A 32 -13.552 -3.195 -5.560 1.00 0.00 C ATOM 474 CD ARG A 32 -14.651 -3.742 -6.473 1.00 0.00 C ATOM 475 NE ARG A 32 -14.674 -2.987 -7.745 1.00 0.00 N ATOM 476 CZ ARG A 32 -15.300 -3.403 -8.855 1.00 0.00 C ATOM 477 NH1 ARG A 32 -15.957 -4.571 -8.855 1.00 0.00 N ATOM 478 NH2 ARG A 32 -15.268 -2.652 -9.964 1.00 0.00 N ATOM 0 H ARG A 32 -10.695 -4.254 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.331 -2.932 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.007 -4.636 -5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.620 -5.168 -4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.961 -2.413 -4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -12.768 -2.736 -6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -14.477 -4.800 -6.671 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.619 -3.665 -5.977 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.183 -2.094 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.981 -5.143 -8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.434 -4.888 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.767 -1.763 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.744 -2.969 -10.808 1.00 0.00 H new ATOM 492 N GLY A 33 -14.337 -4.752 -1.726 1.00 0.00 N ATOM 493 CA GLY A 33 -14.866 -5.720 -0.780 1.00 0.00 C ATOM 494 C GLY A 33 -14.825 -5.171 0.647 1.00 0.00 C ATOM 495 O GLY A 33 -14.545 -5.908 1.592 1.00 0.00 O ATOM 0 H GLY A 33 -14.948 -3.956 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.892 -5.972 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.287 -6.642 -0.836 1.00 0.00 H new ATOM 499 N LEU A 34 -15.107 -3.882 0.760 1.00 0.00 N ATOM 500 CA LEU A 34 -15.106 -3.226 2.056 1.00 0.00 C ATOM 501 C LEU A 34 -16.542 -3.121 2.572 1.00 0.00 C ATOM 502 O LEU A 34 -17.372 -2.438 1.973 1.00 0.00 O ATOM 503 CB LEU A 34 -14.382 -1.880 1.975 1.00 0.00 C ATOM 504 CG LEU A 34 -13.100 -1.857 1.141 1.00 0.00 C ATOM 505 CD1 LEU A 34 -12.300 -0.579 1.400 1.00 0.00 C ATOM 506 CD2 LEU A 34 -12.264 -3.116 1.386 1.00 0.00 C ATOM 0 H LEU A 34 -15.338 -3.274 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 34 -14.549 -3.819 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.072 -1.143 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -14.139 -1.559 2.988 1.00 0.00 H new ATOM 0 HG LEU A 34 -13.378 -1.855 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -11.394 -0.588 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.904 0.289 1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.031 -0.526 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.358 -3.075 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.994 -3.174 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -12.844 -3.997 1.111 1.00 0.00 H new ATOM 518 N PRO A 35 -16.799 -3.826 3.706 1.00 0.00 N ATOM 519 CA PRO A 35 -18.121 -3.819 4.309 1.00 0.00 C ATOM 520 C PRO A 35 -18.388 -2.497 5.030 1.00 0.00 C ATOM 521 O PRO A 35 -17.585 -2.062 5.854 1.00 0.00 O ATOM 522 CB PRO A 35 -18.133 -5.018 5.243 1.00 0.00 C ATOM 523 CG PRO A 35 -16.675 -5.377 5.480 1.00 0.00 C ATOM 524 CD PRO A 35 -15.841 -4.646 4.441 1.00 0.00 C ATOM 0 HA PRO A 35 -18.920 -3.897 3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -18.633 -4.777 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -18.674 -5.854 4.799 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.370 -5.089 6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.529 -6.454 5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.073 -4.032 4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -15.330 -5.346 3.780 1.00 0.00 H new ATOM 532 N ALA A 36 -19.518 -1.894 4.693 1.00 0.00 N ATOM 533 CA ALA A 36 -19.901 -0.629 5.298 1.00 0.00 C ATOM 534 C ALA A 36 -19.647 -0.692 6.805 1.00 0.00 C ATOM 535 O ALA A 36 -19.461 -1.773 7.362 1.00 0.00 O ATOM 536 CB ALA A 36 -21.363 -0.326 4.966 1.00 0.00 C ATOM 0 H ALA A 36 -20.181 -2.258 4.009 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.300 0.186 4.896 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -21.650 0.623 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -21.485 -0.263 3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -21.997 -1.122 5.357 1.00 0.00 H new ATOM 542 N MET A 37 -19.646 0.480 7.423 1.00 0.00 N ATOM 543 CA MET A 37 -19.418 0.571 8.855 1.00 0.00 C ATOM 544 C MET A 37 -20.647 1.134 9.571 1.00 0.00 C ATOM 545 O MET A 37 -21.012 0.664 10.648 1.00 0.00 O ATOM 546 CB MET A 37 -18.212 1.475 9.123 1.00 0.00 C ATOM 547 CG MET A 37 -16.901 0.710 8.932 1.00 0.00 C ATOM 548 SD MET A 37 -16.663 -0.439 10.277 1.00 0.00 S ATOM 549 CE MET A 37 -15.325 -1.418 9.616 1.00 0.00 C ATOM 0 H MET A 37 -19.800 1.375 6.958 1.00 0.00 H new ATOM 0 HA MET A 37 -19.225 -0.431 9.238 1.00 0.00 H new ATOM 0 HB2 MET A 37 -18.239 2.332 8.450 1.00 0.00 H new ATOM 0 HB3 MET A 37 -18.265 1.866 10.139 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.918 0.174 7.983 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.066 1.409 8.888 1.00 0.00 H new ATOM 0 HE1 MET A 37 -14.730 -1.822 10.435 1.00 0.00 H new ATOM 0 HE2 MET A 37 -15.732 -2.238 9.024 1.00 0.00 H new ATOM 0 HE3 MET A 37 -14.694 -0.793 8.984 1.00 0.00 H new ATOM 559 N ASP A 38 -21.251 2.133 8.945 1.00 0.00 N ATOM 560 CA ASP A 38 -22.432 2.765 9.510 1.00 0.00 C ATOM 561 C ASP A 38 -23.648 2.429 8.644 1.00 0.00 C ATOM 562 O ASP A 38 -23.520 1.758 7.621 1.00 0.00 O ATOM 563 CB ASP A 38 -22.280 4.287 9.541 1.00 0.00 C ATOM 564 CG ASP A 38 -21.365 4.823 10.644 1.00 0.00 C ATOM 565 OD1 ASP A 38 -21.170 4.081 11.630 1.00 0.00 O ATOM 566 OD2 ASP A 38 -20.881 5.963 10.475 1.00 0.00 O ATOM 0 H ASP A 38 -20.945 2.521 8.052 1.00 0.00 H new ATOM 0 HA ASP A 38 -22.559 2.394 10.527 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -21.894 4.618 8.577 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -23.267 4.733 9.660 1.00 0.00 H new ATOM 571 N GLU A 39 -24.800 2.912 9.086 1.00 0.00 N ATOM 572 CA GLU A 39 -26.038 2.671 8.364 1.00 0.00 C ATOM 573 C GLU A 39 -26.520 3.958 7.692 1.00 0.00 C ATOM 574 O GLU A 39 -27.497 3.945 6.945 1.00 0.00 O ATOM 575 CB GLU A 39 -27.112 2.102 9.293 1.00 0.00 C ATOM 576 CG GLU A 39 -27.146 2.860 10.622 1.00 0.00 C ATOM 577 CD GLU A 39 -28.528 2.768 11.271 1.00 0.00 C ATOM 578 OE1 GLU A 39 -29.382 3.607 10.909 1.00 0.00 O ATOM 579 OE2 GLU A 39 -28.700 1.862 12.114 1.00 0.00 O ATOM 0 H GLU A 39 -24.902 3.469 9.935 1.00 0.00 H new ATOM 0 HA GLU A 39 -25.845 1.930 7.588 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -28.087 2.165 8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -26.916 1.046 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -26.395 2.450 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -26.888 3.906 10.455 1.00 0.00 H new ATOM 586 N GLN A 40 -25.813 5.040 7.983 1.00 0.00 N ATOM 587 CA GLN A 40 -26.156 6.334 7.416 1.00 0.00 C ATOM 588 C GLN A 40 -26.622 6.172 5.968 1.00 0.00 C ATOM 589 O GLN A 40 -27.821 6.139 5.698 1.00 0.00 O ATOM 590 CB GLN A 40 -24.976 7.303 7.508 1.00 0.00 C ATOM 591 CG GLN A 40 -24.626 7.605 8.966 1.00 0.00 C ATOM 592 CD GLN A 40 -24.339 9.094 9.165 1.00 0.00 C ATOM 593 OE1 GLN A 40 -24.623 9.926 8.318 1.00 0.00 O ATOM 594 NE2 GLN A 40 -23.760 9.384 10.327 1.00 0.00 N ATOM 0 H GLN A 40 -25.004 5.048 8.604 1.00 0.00 H new ATOM 0 HA GLN A 40 -26.976 6.757 7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -24.110 6.875 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -25.221 8.230 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -25.450 7.301 9.612 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -23.755 7.021 9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -23.549 8.640 10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -23.527 10.351 10.553 1.00 0.00 H new ATOM 603 N SER A 41 -25.648 6.075 5.074 1.00 0.00 N ATOM 604 CA SER A 41 -25.943 5.917 3.660 1.00 0.00 C ATOM 605 C SER A 41 -25.253 4.664 3.118 1.00 0.00 C ATOM 606 O SER A 41 -24.802 4.645 1.974 1.00 0.00 O ATOM 607 CB SER A 41 -25.507 7.149 2.866 1.00 0.00 C ATOM 608 OG SER A 41 -26.557 7.657 2.048 1.00 0.00 O ATOM 0 H SER A 41 -24.654 6.103 5.302 1.00 0.00 H new ATOM 0 HA SER A 41 -27.021 5.808 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 41 -25.176 7.926 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 41 -24.652 6.893 2.240 1.00 0.00 H new ATOM 0 HG SER A 41 -26.239 8.444 1.559 1.00 0.00 H new ATOM 614 N MET A 42 -25.192 3.647 3.966 1.00 0.00 N ATOM 615 CA MET A 42 -24.564 2.393 3.586 1.00 0.00 C ATOM 616 C MET A 42 -23.227 2.640 2.883 1.00 0.00 C ATOM 617 O MET A 42 -23.072 2.317 1.706 1.00 0.00 O ATOM 618 CB MET A 42 -25.496 1.617 2.653 1.00 0.00 C ATOM 619 CG MET A 42 -25.732 0.197 3.171 1.00 0.00 C ATOM 620 SD MET A 42 -24.173 -0.569 3.583 1.00 0.00 S ATOM 621 CE MET A 42 -23.393 -0.567 1.977 1.00 0.00 C ATOM 0 H MET A 42 -25.567 3.666 4.914 1.00 0.00 H new ATOM 0 HA MET A 42 -24.376 1.814 4.490 1.00 0.00 H new ATOM 0 HB2 MET A 42 -26.449 2.140 2.568 1.00 0.00 H new ATOM 0 HB3 MET A 42 -25.064 1.576 1.653 1.00 0.00 H new ATOM 0 HG2 MET A 42 -26.377 0.224 4.049 1.00 0.00 H new ATOM 0 HG3 MET A 42 -26.248 -0.394 2.414 1.00 0.00 H new ATOM 0 HE1 MET A 42 -23.023 -1.567 1.751 1.00 0.00 H new ATOM 0 HE2 MET A 42 -24.119 -0.269 1.220 1.00 0.00 H new ATOM 0 HE3 MET A 42 -22.560 0.136 1.978 1.00 0.00 H new ATOM 631 N THR A 43 -22.297 3.211 3.634 1.00 0.00 N ATOM 632 CA THR A 43 -20.979 3.504 3.098 1.00 0.00 C ATOM 633 C THR A 43 -20.015 3.878 4.226 1.00 0.00 C ATOM 634 O THR A 43 -20.400 3.898 5.394 1.00 0.00 O ATOM 635 CB THR A 43 -21.132 4.600 2.041 1.00 0.00 C ATOM 636 OG1 THR A 43 -19.808 4.797 1.550 1.00 0.00 O ATOM 637 CG2 THR A 43 -21.508 5.952 2.650 1.00 0.00 C ATOM 0 H THR A 43 -22.430 3.479 4.609 1.00 0.00 H new ATOM 0 HA THR A 43 -20.543 2.628 2.618 1.00 0.00 H new ATOM 0 HB THR A 43 -21.892 4.303 1.318 1.00 0.00 H new ATOM 0 HG1 THR A 43 -19.732 4.415 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.604 6.694 1.857 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.457 5.861 3.179 1.00 0.00 H new ATOM 0 HG23 THR A 43 -20.732 6.265 3.348 1.00 0.00 H new ATOM 645 N SER A 44 -18.782 4.166 3.836 1.00 0.00 N ATOM 646 CA SER A 44 -17.760 4.538 4.800 1.00 0.00 C ATOM 647 C SER A 44 -16.560 5.153 4.079 1.00 0.00 C ATOM 648 O SER A 44 -16.532 5.212 2.851 1.00 0.00 O ATOM 649 CB SER A 44 -17.320 3.330 5.630 1.00 0.00 C ATOM 650 OG SER A 44 -17.334 2.126 4.869 1.00 0.00 O ATOM 0 H SER A 44 -18.468 4.149 2.866 1.00 0.00 H new ATOM 0 HA SER A 44 -18.184 5.277 5.480 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.316 3.503 6.017 1.00 0.00 H new ATOM 0 HB3 SER A 44 -17.979 3.222 6.491 1.00 0.00 H new ATOM 0 HG SER A 44 -17.045 1.379 5.434 1.00 0.00 H new ATOM 656 N ASP A 45 -15.596 5.596 4.873 1.00 0.00 N ATOM 657 CA ASP A 45 -14.396 6.205 4.326 1.00 0.00 C ATOM 658 C ASP A 45 -13.173 5.401 4.771 1.00 0.00 C ATOM 659 O ASP A 45 -12.390 5.862 5.600 1.00 0.00 O ATOM 660 CB ASP A 45 -14.227 7.640 4.829 1.00 0.00 C ATOM 661 CG ASP A 45 -15.531 8.361 5.176 1.00 0.00 C ATOM 662 OD1 ASP A 45 -16.486 8.219 4.383 1.00 0.00 O ATOM 663 OD2 ASP A 45 -15.543 9.038 6.227 1.00 0.00 O ATOM 0 H ASP A 45 -15.622 5.545 5.891 1.00 0.00 H new ATOM 0 HA ASP A 45 -14.487 6.213 3.240 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -13.590 7.626 5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -13.702 8.217 4.067 1.00 0.00 H new ATOM 668 N PRO A 46 -13.043 4.180 4.185 1.00 0.00 N ATOM 669 CA PRO A 46 -11.929 3.307 4.513 1.00 0.00 C ATOM 670 C PRO A 46 -10.637 3.798 3.857 1.00 0.00 C ATOM 671 O PRO A 46 -10.639 4.803 3.147 1.00 0.00 O ATOM 672 CB PRO A 46 -12.353 1.929 4.032 1.00 0.00 C ATOM 673 CG PRO A 46 -13.482 2.164 3.041 1.00 0.00 C ATOM 674 CD PRO A 46 -13.951 3.601 3.199 1.00 0.00 C ATOM 0 HA PRO A 46 -11.708 3.290 5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.521 1.407 3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -12.687 1.310 4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.139 1.985 2.022 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.303 1.472 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.904 4.140 2.253 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -14.986 3.645 3.539 1.00 0.00 H new ATOM 682 N TYR A 47 -9.563 3.065 4.117 1.00 0.00 N ATOM 683 CA TYR A 47 -8.267 3.413 3.560 1.00 0.00 C ATOM 684 C TYR A 47 -7.202 2.396 3.973 1.00 0.00 C ATOM 685 O TYR A 47 -7.238 1.871 5.085 1.00 0.00 O ATOM 686 CB TYR A 47 -7.908 4.778 4.149 1.00 0.00 C ATOM 687 CG TYR A 47 -7.746 4.776 5.671 1.00 0.00 C ATOM 688 CD1 TYR A 47 -8.842 4.993 6.481 1.00 0.00 C ATOM 689 CD2 TYR A 47 -6.505 4.557 6.233 1.00 0.00 C ATOM 690 CE1 TYR A 47 -8.691 4.991 7.913 1.00 0.00 C ATOM 691 CE2 TYR A 47 -6.354 4.555 7.665 1.00 0.00 C ATOM 692 CZ TYR A 47 -7.454 4.772 8.434 1.00 0.00 C ATOM 693 OH TYR A 47 -7.311 4.770 9.787 1.00 0.00 O ATOM 0 H TYR A 47 -9.565 2.232 4.706 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.308 3.426 2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.980 5.125 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.683 5.495 3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.813 5.164 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.647 4.387 5.599 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.540 5.160 8.558 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.388 4.385 8.118 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.143 4.462 10.203 1.00 0.00 H new ATOM 703 N ILE A 48 -6.279 2.148 3.056 1.00 0.00 N ATOM 704 CA ILE A 48 -5.205 1.202 3.311 1.00 0.00 C ATOM 705 C ILE A 48 -3.998 1.950 3.882 1.00 0.00 C ATOM 706 O ILE A 48 -3.676 3.049 3.434 1.00 0.00 O ATOM 707 CB ILE A 48 -4.889 0.397 2.049 1.00 0.00 C ATOM 708 CG1 ILE A 48 -6.172 -0.090 1.374 1.00 0.00 C ATOM 709 CG2 ILE A 48 -3.931 -0.755 2.360 1.00 0.00 C ATOM 710 CD1 ILE A 48 -5.859 -1.093 0.261 1.00 0.00 C ATOM 0 H ILE A 48 -6.252 2.586 2.135 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.511 0.471 4.059 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.383 1.054 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.823 -0.554 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.715 0.760 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.722 -1.312 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.000 -0.356 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.387 -1.420 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.788 -1.424 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.228 -0.618 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.338 -1.953 0.682 1.00 0.00 H new ATOM 722 N LYS A 49 -3.365 1.324 4.863 1.00 0.00 N ATOM 723 CA LYS A 49 -2.201 1.916 5.500 1.00 0.00 C ATOM 724 C LYS A 49 -0.942 1.180 5.037 1.00 0.00 C ATOM 725 O LYS A 49 -0.850 -0.040 5.163 1.00 0.00 O ATOM 726 CB LYS A 49 -2.375 1.939 7.020 1.00 0.00 C ATOM 727 CG LYS A 49 -3.059 3.230 7.473 1.00 0.00 C ATOM 728 CD LYS A 49 -3.040 3.355 8.998 1.00 0.00 C ATOM 729 CE LYS A 49 -3.428 4.768 9.438 1.00 0.00 C ATOM 730 NZ LYS A 49 -2.354 5.368 10.261 1.00 0.00 N ATOM 0 H LYS A 49 -3.636 0.413 5.232 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.091 2.958 5.199 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.967 1.080 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.402 1.850 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.555 4.088 7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.089 3.245 7.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.730 2.632 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.046 3.114 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.614 5.390 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.356 4.736 10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.634 6.327 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.196 4.783 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.477 5.417 9.705 1.00 0.00 H new ATOM 744 N MET A 50 -0.003 1.953 4.511 1.00 0.00 N ATOM 745 CA MET A 50 1.247 1.390 4.028 1.00 0.00 C ATOM 746 C MET A 50 2.342 1.496 5.091 1.00 0.00 C ATOM 747 O MET A 50 2.345 2.427 5.894 1.00 0.00 O ATOM 748 CB MET A 50 1.687 2.133 2.765 1.00 0.00 C ATOM 749 CG MET A 50 2.495 1.216 1.844 1.00 0.00 C ATOM 750 SD MET A 50 3.280 2.178 0.561 1.00 0.00 S ATOM 751 CE MET A 50 4.956 2.202 1.174 1.00 0.00 C ATOM 0 H MET A 50 -0.083 2.965 4.409 1.00 0.00 H new ATOM 0 HA MET A 50 1.087 0.336 3.802 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.811 2.507 2.235 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.288 3.000 3.039 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.249 0.680 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.841 0.466 1.399 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.647 2.011 0.353 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.170 3.178 1.609 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.076 1.431 1.935 1.00 0.00 H new ATOM 761 N THR A 51 3.246 0.528 5.061 1.00 0.00 N ATOM 762 CA THR A 51 4.345 0.500 6.012 1.00 0.00 C ATOM 763 C THR A 51 5.491 -0.361 5.477 1.00 0.00 C ATOM 764 O THR A 51 5.275 -1.495 5.054 1.00 0.00 O ATOM 765 CB THR A 51 3.795 0.015 7.355 1.00 0.00 C ATOM 766 OG1 THR A 51 2.950 1.077 7.788 1.00 0.00 O ATOM 767 CG2 THR A 51 4.876 -0.065 8.435 1.00 0.00 C ATOM 0 H THR A 51 3.240 -0.243 4.393 1.00 0.00 H new ATOM 0 HA THR A 51 4.768 1.494 6.158 1.00 0.00 H new ATOM 0 HB THR A 51 3.336 -0.965 7.227 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.091 1.861 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.433 -0.414 9.368 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.654 -0.760 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.312 0.922 8.588 1.00 0.00 H new ATOM 775 N ILE A 52 6.686 0.211 5.514 1.00 0.00 N ATOM 776 CA ILE A 52 7.866 -0.490 5.039 1.00 0.00 C ATOM 777 C ILE A 52 8.471 -1.298 6.189 1.00 0.00 C ATOM 778 O ILE A 52 9.326 -0.800 6.920 1.00 0.00 O ATOM 779 CB ILE A 52 8.848 0.490 4.393 1.00 0.00 C ATOM 780 CG1 ILE A 52 8.212 1.189 3.189 1.00 0.00 C ATOM 781 CG2 ILE A 52 10.158 -0.209 4.025 1.00 0.00 C ATOM 782 CD1 ILE A 52 9.263 1.952 2.381 1.00 0.00 C ATOM 0 H ILE A 52 6.862 1.152 5.866 1.00 0.00 H new ATOM 0 HA ILE A 52 7.598 -1.200 4.256 1.00 0.00 H new ATOM 0 HB ILE A 52 9.090 1.263 5.123 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.723 0.452 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.439 1.878 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.838 0.510 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.616 -0.620 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.955 -1.015 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.785 2.440 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.733 2.705 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 52 10.021 1.256 2.021 1.00 0.00 H new ATOM 794 N LEU A 53 8.004 -2.532 6.313 1.00 0.00 N ATOM 795 CA LEU A 53 8.488 -3.414 7.361 1.00 0.00 C ATOM 796 C LEU A 53 9.767 -4.108 6.887 1.00 0.00 C ATOM 797 O LEU A 53 9.998 -4.239 5.686 1.00 0.00 O ATOM 798 CB LEU A 53 7.388 -4.383 7.797 1.00 0.00 C ATOM 799 CG LEU A 53 6.219 -3.767 8.569 1.00 0.00 C ATOM 800 CD1 LEU A 53 6.721 -2.900 9.725 1.00 0.00 C ATOM 801 CD2 LEU A 53 5.291 -2.990 7.632 1.00 0.00 C ATOM 0 H LEU A 53 7.295 -2.942 5.705 1.00 0.00 H new ATOM 0 HA LEU A 53 8.747 -2.841 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.992 -4.875 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.839 -5.158 8.417 1.00 0.00 H new ATOM 0 HG LEU A 53 5.633 -4.577 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.870 -2.474 10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.308 -3.512 10.410 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.343 -2.095 9.333 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.469 -2.563 8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.850 -2.189 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.892 -3.664 6.874 1.00 0.00 H new ATOM 813 N PRO A 54 10.585 -4.547 7.881 1.00 0.00 N ATOM 814 CA PRO A 54 10.237 -4.352 9.278 1.00 0.00 C ATOM 815 C PRO A 54 10.449 -2.896 9.698 1.00 0.00 C ATOM 816 O PRO A 54 9.827 -2.423 10.647 1.00 0.00 O ATOM 817 CB PRO A 54 11.118 -5.326 10.043 1.00 0.00 C ATOM 818 CG PRO A 54 12.250 -5.694 9.097 1.00 0.00 C ATOM 819 CD PRO A 54 11.859 -5.238 7.701 1.00 0.00 C ATOM 0 HA PRO A 54 9.184 -4.546 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.504 -4.871 10.955 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.555 -6.210 10.342 1.00 0.00 H new ATOM 0 HG2 PRO A 54 13.178 -5.215 9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.425 -6.770 9.112 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.612 -4.575 7.275 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.758 -6.084 7.022 1.00 0.00 H new ATOM 827 N GLU A 55 11.331 -2.226 8.970 1.00 0.00 N ATOM 828 CA GLU A 55 11.634 -0.834 9.255 1.00 0.00 C ATOM 829 C GLU A 55 10.456 -0.171 9.971 1.00 0.00 C ATOM 830 O GLU A 55 10.575 0.232 11.127 1.00 0.00 O ATOM 831 CB GLU A 55 11.993 -0.078 7.974 1.00 0.00 C ATOM 832 CG GLU A 55 13.503 -0.100 7.729 1.00 0.00 C ATOM 833 CD GLU A 55 13.850 0.542 6.385 1.00 0.00 C ATOM 834 OE1 GLU A 55 13.382 1.679 6.161 1.00 0.00 O ATOM 835 OE2 GLU A 55 14.576 -0.119 5.611 1.00 0.00 O ATOM 0 H GLU A 55 11.845 -2.622 8.183 1.00 0.00 H new ATOM 0 HA GLU A 55 12.501 -0.798 9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.477 -0.527 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.648 0.953 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 55 14.013 0.432 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.863 -1.129 7.748 1.00 0.00 H new ATOM 842 N LYS A 56 9.345 -0.077 9.254 1.00 0.00 N ATOM 843 CA LYS A 56 8.147 0.531 9.807 1.00 0.00 C ATOM 844 C LYS A 56 8.348 2.044 9.909 1.00 0.00 C ATOM 845 O LYS A 56 7.493 2.753 10.437 1.00 0.00 O ATOM 846 CB LYS A 56 7.774 -0.131 11.135 1.00 0.00 C ATOM 847 CG LYS A 56 6.281 0.032 11.430 1.00 0.00 C ATOM 848 CD LYS A 56 5.980 -0.245 12.904 1.00 0.00 C ATOM 849 CE LYS A 56 4.988 -1.401 13.053 1.00 0.00 C ATOM 850 NZ LYS A 56 4.199 -1.250 14.296 1.00 0.00 N ATOM 0 H LYS A 56 9.250 -0.412 8.295 1.00 0.00 H new ATOM 0 HA LYS A 56 7.297 0.366 9.145 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.028 -1.190 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.358 0.311 11.942 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.964 1.043 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.706 -0.650 10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.905 -0.485 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.572 0.652 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.320 -1.428 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.525 -2.349 13.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.531 -2.042 14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.839 -1.247 15.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.671 -0.354 14.266 1.00 0.00 H new ATOM 864 N LYS A 57 9.484 2.493 9.396 1.00 0.00 N ATOM 865 CA LYS A 57 9.808 3.910 9.423 1.00 0.00 C ATOM 866 C LYS A 57 8.980 4.638 8.363 1.00 0.00 C ATOM 867 O LYS A 57 8.139 5.473 8.694 1.00 0.00 O ATOM 868 CB LYS A 57 11.317 4.116 9.274 1.00 0.00 C ATOM 869 CG LYS A 57 11.620 5.414 8.522 1.00 0.00 C ATOM 870 CD LYS A 57 11.045 6.624 9.261 1.00 0.00 C ATOM 871 CE LYS A 57 11.900 6.979 10.479 1.00 0.00 C ATOM 872 NZ LYS A 57 11.447 8.256 11.075 1.00 0.00 N ATOM 0 H LYS A 57 10.191 1.902 8.960 1.00 0.00 H new ATOM 0 HA LYS A 57 9.544 4.344 10.387 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.783 4.145 10.259 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.752 3.271 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.698 5.530 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.199 5.363 7.518 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.996 7.478 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.025 6.410 9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.837 6.182 11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.947 7.059 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.038 8.483 11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.530 9.017 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.455 8.167 11.373 1.00 0.00 H new ATOM 886 N HIS A 58 9.246 4.296 7.111 1.00 0.00 N ATOM 887 CA HIS A 58 8.536 4.908 6.001 1.00 0.00 C ATOM 888 C HIS A 58 7.059 4.513 6.057 1.00 0.00 C ATOM 889 O HIS A 58 6.603 3.686 5.268 1.00 0.00 O ATOM 890 CB HIS A 58 9.196 4.547 4.669 1.00 0.00 C ATOM 891 CG HIS A 58 10.635 4.991 4.557 1.00 0.00 C ATOM 892 ND1 HIS A 58 11.069 6.240 4.965 1.00 0.00 N ATOM 893 CD2 HIS A 58 11.734 4.338 4.080 1.00 0.00 C ATOM 894 CE1 HIS A 58 12.371 6.325 4.738 1.00 0.00 C ATOM 895 NE2 HIS A 58 12.782 5.146 4.189 1.00 0.00 N ATOM 0 H HIS A 58 9.944 3.603 6.841 1.00 0.00 H new ATOM 0 HA HIS A 58 8.590 5.993 6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 58 9.148 3.467 4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.623 4.997 3.858 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.749 3.334 3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.998 7.179 4.950 1.00 0.00 H new ATOM 0 HE2 HIS A 58 13.737 4.922 3.908 1.00 0.00 H new ATOM 903 N LYS A 59 6.352 5.122 6.997 1.00 0.00 N ATOM 904 CA LYS A 59 4.936 4.844 7.166 1.00 0.00 C ATOM 905 C LYS A 59 4.122 5.842 6.340 1.00 0.00 C ATOM 906 O LYS A 59 4.262 7.053 6.509 1.00 0.00 O ATOM 907 CB LYS A 59 4.566 4.829 8.651 1.00 0.00 C ATOM 908 CG LYS A 59 3.626 3.665 8.971 1.00 0.00 C ATOM 909 CD LYS A 59 3.102 3.761 10.405 1.00 0.00 C ATOM 910 CE LYS A 59 4.235 4.082 11.382 1.00 0.00 C ATOM 911 NZ LYS A 59 3.845 3.721 12.763 1.00 0.00 N ATOM 0 H LYS A 59 6.733 5.807 7.650 1.00 0.00 H new ATOM 0 HA LYS A 59 4.696 3.849 6.791 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.470 4.747 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.088 5.771 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.789 3.667 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.152 2.720 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.335 4.534 10.465 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.629 2.820 10.687 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.135 3.536 11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.477 5.144 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.625 3.945 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.999 4.261 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.637 2.703 12.810 1.00 0.00 H new ATOM 925 N VAL A 60 3.290 5.298 5.465 1.00 0.00 N ATOM 926 CA VAL A 60 2.454 6.126 4.612 1.00 0.00 C ATOM 927 C VAL A 60 1.067 5.491 4.493 1.00 0.00 C ATOM 928 O VAL A 60 0.935 4.268 4.534 1.00 0.00 O ATOM 929 CB VAL A 60 3.134 6.335 3.258 1.00 0.00 C ATOM 930 CG1 VAL A 60 4.329 7.283 3.385 1.00 0.00 C ATOM 931 CG2 VAL A 60 3.556 4.999 2.644 1.00 0.00 C ATOM 0 H VAL A 60 3.176 4.294 5.328 1.00 0.00 H new ATOM 0 HA VAL A 60 2.322 7.115 5.051 1.00 0.00 H new ATOM 0 HB VAL A 60 2.410 6.797 2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.795 7.414 2.408 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.989 8.249 3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.056 6.861 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.037 5.176 1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.255 4.496 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.677 4.371 2.500 1.00 0.00 H new ATOM 941 N LYS A 61 0.069 6.349 4.348 1.00 0.00 N ATOM 942 CA LYS A 61 -1.303 5.887 4.223 1.00 0.00 C ATOM 943 C LYS A 61 -1.948 6.544 3.001 1.00 0.00 C ATOM 944 O LYS A 61 -1.556 7.639 2.600 1.00 0.00 O ATOM 945 CB LYS A 61 -2.070 6.125 5.525 1.00 0.00 C ATOM 946 CG LYS A 61 -2.223 7.622 5.806 1.00 0.00 C ATOM 947 CD LYS A 61 -2.659 7.867 7.252 1.00 0.00 C ATOM 948 CE LYS A 61 -1.452 7.887 8.192 1.00 0.00 C ATOM 949 NZ LYS A 61 -1.021 9.279 8.451 1.00 0.00 N ATOM 0 H LYS A 61 0.183 7.362 4.314 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.328 4.810 4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.054 5.661 5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.545 5.648 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.277 8.130 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.957 8.051 5.124 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.193 8.815 7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.354 7.087 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.707 7.398 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.631 7.322 7.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.201 9.275 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.758 9.734 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.801 9.808 8.891 1.00 0.00 H new ATOM 963 N THR A 62 -2.927 5.847 2.442 1.00 0.00 N ATOM 964 CA THR A 62 -3.630 6.349 1.274 1.00 0.00 C ATOM 965 C THR A 62 -4.888 7.112 1.695 1.00 0.00 C ATOM 966 O THR A 62 -5.655 6.638 2.531 1.00 0.00 O ATOM 967 CB THR A 62 -3.920 5.163 0.351 1.00 0.00 C ATOM 968 OG1 THR A 62 -4.717 4.291 1.147 1.00 0.00 O ATOM 969 CG2 THR A 62 -2.666 4.343 0.041 1.00 0.00 C ATOM 0 H THR A 62 -3.250 4.939 2.777 1.00 0.00 H new ATOM 0 HA THR A 62 -3.021 7.067 0.724 1.00 0.00 H new ATOM 0 HB THR A 62 -4.356 5.525 -0.580 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.176 4.809 1.841 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.927 3.514 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.928 4.978 -0.450 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.248 3.952 0.969 1.00 0.00 H new ATOM 977 N ARG A 63 -5.059 8.282 1.097 1.00 0.00 N ATOM 978 CA ARG A 63 -6.210 9.115 1.400 1.00 0.00 C ATOM 979 C ARG A 63 -7.444 8.246 1.652 1.00 0.00 C ATOM 980 O ARG A 63 -7.561 7.153 1.099 1.00 0.00 O ATOM 981 CB ARG A 63 -6.505 10.085 0.254 1.00 0.00 C ATOM 982 CG ARG A 63 -7.508 11.157 0.686 1.00 0.00 C ATOM 983 CD ARG A 63 -8.838 10.993 -0.053 1.00 0.00 C ATOM 984 NE ARG A 63 -9.612 12.252 0.015 1.00 0.00 N ATOM 985 CZ ARG A 63 -9.331 13.347 -0.704 1.00 0.00 C ATOM 986 NH1 ARG A 63 -8.291 13.345 -1.549 1.00 0.00 N ATOM 987 NH2 ARG A 63 -10.089 14.445 -0.578 1.00 0.00 N ATOM 0 H ARG A 63 -4.420 8.672 0.405 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.976 9.689 2.297 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.580 10.559 -0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.901 9.535 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.675 11.092 1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.097 12.147 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.655 10.725 -1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.412 10.179 0.390 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.410 12.289 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.713 12.510 -1.645 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.077 14.179 -2.096 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.880 14.447 0.066 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.875 15.278 -1.126 1.00 0.00 H new ATOM 1001 N VAL A 64 -8.332 8.763 2.488 1.00 0.00 N ATOM 1002 CA VAL A 64 -9.553 8.048 2.820 1.00 0.00 C ATOM 1003 C VAL A 64 -10.728 8.676 2.069 1.00 0.00 C ATOM 1004 O VAL A 64 -11.300 9.667 2.521 1.00 0.00 O ATOM 1005 CB VAL A 64 -9.753 8.031 4.337 1.00 0.00 C ATOM 1006 CG1 VAL A 64 -8.905 9.110 5.014 1.00 0.00 C ATOM 1007 CG2 VAL A 64 -11.231 8.190 4.697 1.00 0.00 C ATOM 0 H VAL A 64 -8.231 9.669 2.946 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.484 7.007 2.503 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.420 7.061 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.066 9.076 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.851 8.933 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.193 10.090 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.345 8.175 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.601 9.138 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.802 7.371 4.260 1.00 0.00 H new ATOM 1017 N LEU A 65 -11.054 8.074 0.935 1.00 0.00 N ATOM 1018 CA LEU A 65 -12.151 8.562 0.116 1.00 0.00 C ATOM 1019 C LEU A 65 -13.425 8.619 0.961 1.00 0.00 C ATOM 1020 O LEU A 65 -13.555 7.892 1.945 1.00 0.00 O ATOM 1021 CB LEU A 65 -12.291 7.718 -1.152 1.00 0.00 C ATOM 1022 CG LEU A 65 -11.143 7.824 -2.158 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -10.647 6.437 -2.572 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.549 8.671 -3.366 1.00 0.00 C ATOM 0 H LEU A 65 -10.578 7.252 0.564 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.949 9.577 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.396 6.673 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.215 8.003 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.310 8.333 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.831 6.541 -3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.292 5.900 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.464 5.881 -3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.715 8.730 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.405 8.213 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.816 9.674 -3.034 1.00 0.00 H new ATOM 1036 N ARG A 66 -14.334 9.490 0.546 1.00 0.00 N ATOM 1037 CA ARG A 66 -15.594 9.651 1.252 1.00 0.00 C ATOM 1038 C ARG A 66 -16.700 8.862 0.550 1.00 0.00 C ATOM 1039 O ARG A 66 -16.735 8.793 -0.678 1.00 0.00 O ATOM 1040 CB ARG A 66 -15.997 11.124 1.329 1.00 0.00 C ATOM 1041 CG ARG A 66 -14.919 11.952 2.032 1.00 0.00 C ATOM 1042 CD ARG A 66 -14.299 11.172 3.193 1.00 0.00 C ATOM 1043 NE ARG A 66 -13.400 12.052 3.972 1.00 0.00 N ATOM 1044 CZ ARG A 66 -13.820 13.073 4.731 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -15.128 13.349 4.819 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -12.932 13.819 5.402 1.00 0.00 N ATOM 0 H ARG A 66 -14.223 10.091 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.458 9.270 2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.161 11.513 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.941 11.219 1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.143 12.226 1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.353 12.880 2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.085 10.779 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.742 10.316 2.811 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.397 11.870 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.804 12.782 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.447 14.126 5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.936 13.610 5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.252 14.596 5.980 1.00 0.00 H new ATOM 1060 N LYS A 67 -17.578 8.286 1.359 1.00 0.00 N ATOM 1061 CA LYS A 67 -18.683 7.505 0.830 1.00 0.00 C ATOM 1062 C LYS A 67 -18.203 6.708 -0.385 1.00 0.00 C ATOM 1063 O LYS A 67 -18.355 7.151 -1.522 1.00 0.00 O ATOM 1064 CB LYS A 67 -19.885 8.406 0.539 1.00 0.00 C ATOM 1065 CG LYS A 67 -20.583 8.825 1.834 1.00 0.00 C ATOM 1066 CD LYS A 67 -20.795 10.339 1.878 1.00 0.00 C ATOM 1067 CE LYS A 67 -20.745 10.859 3.316 1.00 0.00 C ATOM 1068 NZ LYS A 67 -21.381 12.192 3.408 1.00 0.00 N ATOM 0 H LYS A 67 -17.546 8.345 2.377 1.00 0.00 H new ATOM 0 HA LYS A 67 -19.027 6.782 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -19.557 9.292 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -20.590 7.881 -0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -21.544 8.317 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -19.986 8.513 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -20.029 10.834 1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -21.757 10.588 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -21.254 10.160 3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -19.710 10.920 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -21.338 12.530 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -20.878 12.860 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -22.375 12.124 3.108 1.00 0.00 H new ATOM 1082 N THR A 68 -17.634 5.545 -0.102 1.00 0.00 N ATOM 1083 CA THR A 68 -17.131 4.682 -1.158 1.00 0.00 C ATOM 1084 C THR A 68 -16.604 3.372 -0.569 1.00 0.00 C ATOM 1085 O THR A 68 -15.516 3.337 0.003 1.00 0.00 O ATOM 1086 CB THR A 68 -16.075 5.463 -1.944 1.00 0.00 C ATOM 1087 OG1 THR A 68 -15.960 4.749 -3.172 1.00 0.00 O ATOM 1088 CG2 THR A 68 -14.683 5.357 -1.319 1.00 0.00 C ATOM 0 H THR A 68 -17.510 5.180 0.843 1.00 0.00 H new ATOM 0 HA THR A 68 -17.925 4.396 -1.848 1.00 0.00 H new ATOM 0 HB THR A 68 -16.367 6.512 -2.003 1.00 0.00 H new ATOM 0 HG1 THR A 68 -15.296 5.188 -3.744 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.972 5.929 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 68 -14.708 5.755 -0.305 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.375 4.312 -1.291 1.00 0.00 H new ATOM 1096 N LEU A 69 -17.401 2.326 -0.730 1.00 0.00 N ATOM 1097 CA LEU A 69 -17.029 1.016 -0.222 1.00 0.00 C ATOM 1098 C LEU A 69 -15.782 0.524 -0.958 1.00 0.00 C ATOM 1099 O LEU A 69 -14.973 -0.212 -0.394 1.00 0.00 O ATOM 1100 CB LEU A 69 -18.214 0.052 -0.307 1.00 0.00 C ATOM 1101 CG LEU A 69 -19.286 0.209 0.774 1.00 0.00 C ATOM 1102 CD1 LEU A 69 -18.650 0.389 2.154 1.00 0.00 C ATOM 1103 CD2 LEU A 69 -20.246 1.350 0.432 1.00 0.00 C ATOM 0 H LEU A 69 -18.303 2.359 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.772 1.076 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.688 0.175 -1.281 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.831 -0.968 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 69 -19.875 -0.708 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.433 0.498 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.040 -0.483 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.023 1.280 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -20.998 1.440 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -19.689 2.284 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -20.736 1.140 -0.519 1.00 0.00 H new ATOM 1115 N ASP A 70 -15.664 0.950 -2.207 1.00 0.00 N ATOM 1116 CA ASP A 70 -14.529 0.561 -3.027 1.00 0.00 C ATOM 1117 C ASP A 70 -13.726 1.808 -3.402 1.00 0.00 C ATOM 1118 O ASP A 70 -13.874 2.340 -4.501 1.00 0.00 O ATOM 1119 CB ASP A 70 -14.988 -0.112 -4.321 1.00 0.00 C ATOM 1120 CG ASP A 70 -15.868 0.755 -5.224 1.00 0.00 C ATOM 1121 OD1 ASP A 70 -16.386 1.768 -4.708 1.00 0.00 O ATOM 1122 OD2 ASP A 70 -16.002 0.385 -6.411 1.00 0.00 O ATOM 0 H ASP A 70 -16.336 1.561 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.923 -0.139 -2.453 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.107 -0.420 -4.885 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.537 -1.019 -4.066 1.00 0.00 H new ATOM 1127 N PRO A 71 -12.869 2.251 -2.442 1.00 0.00 N ATOM 1128 CA PRO A 71 -12.043 3.425 -2.660 1.00 0.00 C ATOM 1129 C PRO A 71 -10.879 3.109 -3.602 1.00 0.00 C ATOM 1130 O PRO A 71 -10.314 2.018 -3.551 1.00 0.00 O ATOM 1131 CB PRO A 71 -11.587 3.849 -1.274 1.00 0.00 C ATOM 1132 CG PRO A 71 -11.789 2.637 -0.380 1.00 0.00 C ATOM 1133 CD PRO A 71 -12.667 1.647 -1.128 1.00 0.00 C ATOM 0 HA PRO A 71 -12.584 4.234 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -10.541 4.157 -1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.166 4.700 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.830 2.183 -0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.258 2.930 0.559 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.185 0.673 -1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -13.615 1.491 -0.614 1.00 0.00 H new ATOM 1141 N ALA A 72 -10.554 4.084 -4.438 1.00 0.00 N ATOM 1142 CA ALA A 72 -9.468 3.923 -5.390 1.00 0.00 C ATOM 1143 C ALA A 72 -8.435 5.030 -5.169 1.00 0.00 C ATOM 1144 O ALA A 72 -8.575 6.130 -5.703 1.00 0.00 O ATOM 1145 CB ALA A 72 -10.030 3.925 -6.813 1.00 0.00 C ATOM 0 H ALA A 72 -11.024 4.989 -4.476 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.965 2.967 -5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.215 3.804 -7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.736 3.103 -6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.540 4.870 -7.001 1.00 0.00 H new ATOM 1151 N PHE A 73 -7.421 4.702 -4.383 1.00 0.00 N ATOM 1152 CA PHE A 73 -6.365 5.654 -4.085 1.00 0.00 C ATOM 1153 C PHE A 73 -5.335 5.702 -5.216 1.00 0.00 C ATOM 1154 O PHE A 73 -4.869 6.776 -5.591 1.00 0.00 O ATOM 1155 CB PHE A 73 -5.678 5.175 -2.805 1.00 0.00 C ATOM 1156 CG PHE A 73 -6.603 4.424 -1.846 1.00 0.00 C ATOM 1157 CD1 PHE A 73 -7.460 5.115 -1.047 1.00 0.00 C ATOM 1158 CD2 PHE A 73 -6.569 3.066 -1.791 1.00 0.00 C ATOM 1159 CE1 PHE A 73 -8.319 4.419 -0.156 1.00 0.00 C ATOM 1160 CE2 PHE A 73 -7.428 2.369 -0.901 1.00 0.00 C ATOM 1161 CZ PHE A 73 -8.284 3.060 -0.102 1.00 0.00 C ATOM 0 H PHE A 73 -7.308 3.789 -3.943 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.786 6.653 -3.971 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.845 4.525 -3.073 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.256 6.036 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.487 6.194 -1.090 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.888 2.517 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.999 4.968 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.401 1.290 -0.859 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.937 2.530 0.576 1.00 0.00 H new ATOM 1171 N ASP A 74 -5.010 4.523 -5.727 1.00 0.00 N ATOM 1172 CA ASP A 74 -4.043 4.417 -6.807 1.00 0.00 C ATOM 1173 C ASP A 74 -2.903 5.408 -6.564 1.00 0.00 C ATOM 1174 O ASP A 74 -2.470 6.099 -7.486 1.00 0.00 O ATOM 1175 CB ASP A 74 -4.684 4.754 -8.154 1.00 0.00 C ATOM 1176 CG ASP A 74 -4.249 3.862 -9.319 1.00 0.00 C ATOM 1177 OD1 ASP A 74 -3.483 2.911 -9.050 1.00 0.00 O ATOM 1178 OD2 ASP A 74 -4.693 4.150 -10.451 1.00 0.00 O ATOM 0 H ASP A 74 -5.399 3.634 -5.413 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.673 3.392 -6.830 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.767 4.688 -8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.450 5.789 -8.402 1.00 0.00 H new ATOM 1183 N GLU A 75 -2.449 5.446 -5.320 1.00 0.00 N ATOM 1184 CA GLU A 75 -1.367 6.341 -4.945 1.00 0.00 C ATOM 1185 C GLU A 75 -0.015 5.709 -5.282 1.00 0.00 C ATOM 1186 O GLU A 75 0.044 4.574 -5.752 1.00 0.00 O ATOM 1187 CB GLU A 75 -1.447 6.706 -3.462 1.00 0.00 C ATOM 1188 CG GLU A 75 -2.200 8.023 -3.261 1.00 0.00 C ATOM 1189 CD GLU A 75 -1.230 9.172 -2.981 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -0.242 8.918 -2.258 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -1.498 10.279 -3.496 1.00 0.00 O ATOM 0 H GLU A 75 -2.811 4.872 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.468 7.263 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.949 5.909 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.441 6.791 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.789 8.248 -4.150 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.900 7.923 -2.431 1.00 0.00 H new ATOM 1198 N THR A 76 1.038 6.472 -5.029 1.00 0.00 N ATOM 1199 CA THR A 76 2.386 6.001 -5.300 1.00 0.00 C ATOM 1200 C THR A 76 3.393 6.720 -4.399 1.00 0.00 C ATOM 1201 O THR A 76 3.485 7.946 -4.421 1.00 0.00 O ATOM 1202 CB THR A 76 2.662 6.191 -6.793 1.00 0.00 C ATOM 1203 OG1 THR A 76 1.878 5.181 -7.422 1.00 0.00 O ATOM 1204 CG2 THR A 76 4.101 5.836 -7.172 1.00 0.00 C ATOM 0 H THR A 76 0.985 7.413 -4.639 1.00 0.00 H new ATOM 0 HA THR A 76 2.489 4.941 -5.068 1.00 0.00 H new ATOM 0 HB THR A 76 2.458 7.225 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.326 4.729 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.244 5.988 -8.242 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.791 6.474 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.295 4.792 -6.925 1.00 0.00 H new ATOM 1212 N PHE A 77 4.121 5.926 -3.629 1.00 0.00 N ATOM 1213 CA PHE A 77 5.118 6.471 -2.723 1.00 0.00 C ATOM 1214 C PHE A 77 6.520 5.982 -3.092 1.00 0.00 C ATOM 1215 O PHE A 77 6.756 4.779 -3.192 1.00 0.00 O ATOM 1216 CB PHE A 77 4.769 5.969 -1.320 1.00 0.00 C ATOM 1217 CG PHE A 77 3.308 6.193 -0.925 1.00 0.00 C ATOM 1218 CD1 PHE A 77 2.879 7.438 -0.584 1.00 0.00 C ATOM 1219 CD2 PHE A 77 2.438 5.148 -0.914 1.00 0.00 C ATOM 1220 CE1 PHE A 77 1.524 7.646 -0.216 1.00 0.00 C ATOM 1221 CE2 PHE A 77 1.082 5.356 -0.547 1.00 0.00 C ATOM 1222 CZ PHE A 77 0.654 6.601 -0.206 1.00 0.00 C ATOM 0 H PHE A 77 4.041 4.909 -3.613 1.00 0.00 H new ATOM 0 HA PHE A 77 5.116 7.560 -2.778 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.992 4.904 -1.261 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.411 6.470 -0.596 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.570 8.268 -0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.778 4.159 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.184 8.634 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.391 4.526 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.377 6.760 0.073 1.00 0.00 H new ATOM 1232 N THR A 78 7.414 6.941 -3.285 1.00 0.00 N ATOM 1233 CA THR A 78 8.787 6.624 -3.641 1.00 0.00 C ATOM 1234 C THR A 78 9.697 6.747 -2.417 1.00 0.00 C ATOM 1235 O THR A 78 9.373 7.457 -1.467 1.00 0.00 O ATOM 1236 CB THR A 78 9.198 7.536 -4.798 1.00 0.00 C ATOM 1237 OG1 THR A 78 8.810 6.814 -5.964 1.00 0.00 O ATOM 1238 CG2 THR A 78 10.717 7.667 -4.929 1.00 0.00 C ATOM 0 H THR A 78 7.214 7.938 -3.202 1.00 0.00 H new ATOM 0 HA THR A 78 8.881 5.590 -3.974 1.00 0.00 H new ATOM 0 HB THR A 78 8.759 8.524 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.039 7.335 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.955 8.325 -5.765 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.127 8.086 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.153 6.684 -5.106 1.00 0.00 H new ATOM 1246 N PHE A 79 10.819 6.045 -2.481 1.00 0.00 N ATOM 1247 CA PHE A 79 11.778 6.066 -1.390 1.00 0.00 C ATOM 1248 C PHE A 79 13.187 5.745 -1.893 1.00 0.00 C ATOM 1249 O PHE A 79 13.379 4.794 -2.649 1.00 0.00 O ATOM 1250 CB PHE A 79 11.347 4.988 -0.394 1.00 0.00 C ATOM 1251 CG PHE A 79 9.837 4.930 -0.155 1.00 0.00 C ATOM 1252 CD1 PHE A 79 9.233 5.877 0.612 1.00 0.00 C ATOM 1253 CD2 PHE A 79 9.099 3.931 -0.708 1.00 0.00 C ATOM 1254 CE1 PHE A 79 7.832 5.823 0.834 1.00 0.00 C ATOM 1255 CE2 PHE A 79 7.697 3.877 -0.486 1.00 0.00 C ATOM 1256 CZ PHE A 79 7.093 4.824 0.280 1.00 0.00 C ATOM 0 H PHE A 79 11.085 5.458 -3.272 1.00 0.00 H new ATOM 0 HA PHE A 79 11.800 7.056 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.685 4.017 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 79 11.849 5.165 0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.819 6.670 1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.579 3.178 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.353 6.575 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 79 7.111 3.084 -0.926 1.00 0.00 H new ATOM 0 HZ PHE A 79 6.027 4.783 0.449 1.00 0.00 H new ATOM 1266 N TYR A 80 14.137 6.557 -1.453 1.00 0.00 N ATOM 1267 CA TYR A 80 15.523 6.371 -1.849 1.00 0.00 C ATOM 1268 C TYR A 80 16.376 5.917 -0.662 1.00 0.00 C ATOM 1269 O TYR A 80 16.116 6.300 0.477 1.00 0.00 O ATOM 1270 CB TYR A 80 16.014 7.741 -2.320 1.00 0.00 C ATOM 1271 CG TYR A 80 15.257 8.291 -3.530 1.00 0.00 C ATOM 1272 CD1 TYR A 80 14.084 8.995 -3.349 1.00 0.00 C ATOM 1273 CD2 TYR A 80 15.748 8.084 -4.803 1.00 0.00 C ATOM 1274 CE1 TYR A 80 13.371 9.513 -4.488 1.00 0.00 C ATOM 1275 CE2 TYR A 80 15.035 8.602 -5.942 1.00 0.00 C ATOM 1276 CZ TYR A 80 13.882 9.291 -5.729 1.00 0.00 C ATOM 1277 OH TYR A 80 13.209 9.780 -6.805 1.00 0.00 O ATOM 0 H TYR A 80 13.974 7.345 -0.826 1.00 0.00 H new ATOM 0 HA TYR A 80 15.602 5.609 -2.625 1.00 0.00 H new ATOM 0 HB2 TYR A 80 15.926 8.450 -1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 80 17.073 7.670 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.700 9.158 -2.353 1.00 0.00 H new ATOM 0 HD2 TYR A 80 16.666 7.534 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 80 12.452 10.065 -4.360 1.00 0.00 H new ATOM 0 HE2 TYR A 80 15.408 8.447 -6.944 1.00 0.00 H new ATOM 0 HH TYR A 80 13.828 10.275 -7.381 1.00 0.00 H new ATOM 1287 N GLY A 81 17.377 5.106 -0.971 1.00 0.00 N ATOM 1288 CA GLY A 81 18.270 4.595 0.056 1.00 0.00 C ATOM 1289 C GLY A 81 18.289 3.066 0.055 1.00 0.00 C ATOM 1290 O GLY A 81 19.189 2.452 0.625 1.00 0.00 O ATOM 0 H GLY A 81 17.590 4.790 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.278 4.975 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.951 4.958 1.033 1.00 0.00 H new ATOM 1294 N ILE A 82 17.284 2.494 -0.592 1.00 0.00 N ATOM 1295 CA ILE A 82 17.173 1.047 -0.674 1.00 0.00 C ATOM 1296 C ILE A 82 18.153 0.524 -1.727 1.00 0.00 C ATOM 1297 O ILE A 82 18.027 0.841 -2.909 1.00 0.00 O ATOM 1298 CB ILE A 82 15.721 0.635 -0.927 1.00 0.00 C ATOM 1299 CG1 ILE A 82 14.768 1.383 0.007 1.00 0.00 C ATOM 1300 CG2 ILE A 82 15.556 -0.883 -0.818 1.00 0.00 C ATOM 1301 CD1 ILE A 82 13.938 2.410 -0.766 1.00 0.00 C ATOM 0 H ILE A 82 16.539 3.006 -1.064 1.00 0.00 H new ATOM 0 HA ILE A 82 17.450 0.589 0.276 1.00 0.00 H new ATOM 0 HB ILE A 82 15.459 0.916 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 82 14.106 0.673 0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 82 15.338 1.885 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 82 14.515 -1.150 -1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 82 16.192 -1.372 -1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 82 15.843 -1.209 0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 82 13.269 2.928 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 82 14.603 3.133 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.351 1.902 -1.531 1.00 0.00 H new ATOM 1313 N PRO A 83 19.132 -0.288 -1.247 1.00 0.00 N ATOM 1314 CA PRO A 83 20.133 -0.858 -2.132 1.00 0.00 C ATOM 1315 C PRO A 83 19.544 -2.000 -2.962 1.00 0.00 C ATOM 1316 O PRO A 83 20.277 -2.853 -3.460 1.00 0.00 O ATOM 1317 CB PRO A 83 21.259 -1.309 -1.216 1.00 0.00 C ATOM 1318 CG PRO A 83 20.653 -1.400 0.175 1.00 0.00 C ATOM 1319 CD PRO A 83 19.312 -0.684 0.147 1.00 0.00 C ATOM 0 HA PRO A 83 20.500 -0.142 -2.868 1.00 0.00 H new ATOM 0 HB2 PRO A 83 21.658 -2.273 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 83 22.087 -0.600 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 83 20.523 -2.442 0.467 1.00 0.00 H new ATOM 0 HG3 PRO A 83 21.315 -0.942 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.507 -1.339 0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 83 19.312 0.183 0.808 1.00 0.00 H new ATOM 1327 N TYR A 84 18.225 -1.980 -3.086 1.00 0.00 N ATOM 1328 CA TYR A 84 17.529 -3.004 -3.847 1.00 0.00 C ATOM 1329 C TYR A 84 17.646 -4.368 -3.166 1.00 0.00 C ATOM 1330 O TYR A 84 16.639 -4.977 -2.809 1.00 0.00 O ATOM 1331 CB TYR A 84 18.226 -3.065 -5.208 1.00 0.00 C ATOM 1332 CG TYR A 84 17.500 -3.929 -6.241 1.00 0.00 C ATOM 1333 CD1 TYR A 84 16.146 -3.765 -6.448 1.00 0.00 C ATOM 1334 CD2 TYR A 84 18.200 -4.872 -6.966 1.00 0.00 C ATOM 1335 CE1 TYR A 84 15.462 -4.579 -7.420 1.00 0.00 C ATOM 1336 CE2 TYR A 84 17.517 -5.685 -7.938 1.00 0.00 C ATOM 1337 CZ TYR A 84 16.182 -5.499 -8.117 1.00 0.00 C ATOM 1338 OH TYR A 84 15.537 -6.267 -9.035 1.00 0.00 O ATOM 0 H TYR A 84 17.620 -1.271 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 84 16.469 -2.766 -3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 84 18.324 -2.053 -5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 84 19.236 -3.452 -5.071 1.00 0.00 H new ATOM 0 HD1 TYR A 84 15.599 -3.026 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 84 19.260 -5.000 -6.804 1.00 0.00 H new ATOM 0 HE1 TYR A 84 14.402 -4.462 -7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 84 18.053 -6.426 -8.512 1.00 0.00 H new ATOM 0 HH TYR A 84 16.157 -6.506 -9.755 1.00 0.00 H new ATOM 1348 N THR A 85 18.886 -4.810 -3.006 1.00 0.00 N ATOM 1349 CA THR A 85 19.148 -6.091 -2.374 1.00 0.00 C ATOM 1350 C THR A 85 18.486 -6.151 -0.996 1.00 0.00 C ATOM 1351 O THR A 85 18.288 -7.233 -0.445 1.00 0.00 O ATOM 1352 CB THR A 85 20.663 -6.296 -2.330 1.00 0.00 C ATOM 1353 OG1 THR A 85 21.138 -5.206 -1.543 1.00 0.00 O ATOM 1354 CG2 THR A 85 21.323 -6.084 -3.694 1.00 0.00 C ATOM 0 H THR A 85 19.719 -4.303 -3.304 1.00 0.00 H new ATOM 0 HA THR A 85 18.712 -6.910 -2.945 1.00 0.00 H new ATOM 0 HB THR A 85 20.882 -7.302 -1.973 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.113 -5.262 -1.462 1.00 0.00 H new ATOM 0 HG21 THR A 85 22.398 -6.242 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 85 20.910 -6.792 -4.412 1.00 0.00 H new ATOM 0 HG23 THR A 85 21.132 -5.067 -4.036 1.00 0.00 H new ATOM 1362 N GLN A 86 18.163 -4.975 -0.478 1.00 0.00 N ATOM 1363 CA GLN A 86 17.527 -4.881 0.825 1.00 0.00 C ATOM 1364 C GLN A 86 16.008 -4.988 0.684 1.00 0.00 C ATOM 1365 O GLN A 86 15.298 -5.143 1.677 1.00 0.00 O ATOM 1366 CB GLN A 86 17.922 -3.584 1.535 1.00 0.00 C ATOM 1367 CG GLN A 86 17.798 -3.729 3.053 1.00 0.00 C ATOM 1368 CD GLN A 86 18.547 -2.607 3.774 1.00 0.00 C ATOM 1369 OE1 GLN A 86 19.351 -1.892 3.199 1.00 0.00 O ATOM 1370 NE2 GLN A 86 18.239 -2.492 5.063 1.00 0.00 N ATOM 0 H GLN A 86 18.330 -4.080 -0.937 1.00 0.00 H new ATOM 0 HA GLN A 86 17.874 -5.713 1.438 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.947 -3.320 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 86 17.286 -2.769 1.191 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.746 -3.711 3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.196 -4.695 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 86 17.557 -3.124 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 86 18.685 -1.772 5.632 1.00 0.00 H new ATOM 1379 N ILE A 87 15.553 -4.900 -0.557 1.00 0.00 N ATOM 1380 CA ILE A 87 14.131 -4.985 -0.841 1.00 0.00 C ATOM 1381 C ILE A 87 13.589 -6.316 -0.316 1.00 0.00 C ATOM 1382 O ILE A 87 12.497 -6.367 0.249 1.00 0.00 O ATOM 1383 CB ILE A 87 13.867 -4.758 -2.331 1.00 0.00 C ATOM 1384 CG1 ILE A 87 14.450 -3.422 -2.794 1.00 0.00 C ATOM 1385 CG2 ILE A 87 12.374 -4.872 -2.647 1.00 0.00 C ATOM 1386 CD1 ILE A 87 13.508 -2.265 -2.454 1.00 0.00 C ATOM 0 H ILE A 87 16.145 -4.771 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 87 13.591 -4.193 -0.321 1.00 0.00 H new ATOM 0 HB ILE A 87 14.376 -5.543 -2.891 1.00 0.00 H new ATOM 0 HG12 ILE A 87 15.418 -3.259 -2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 87 14.624 -3.450 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 87 12.214 -4.706 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 87 12.020 -5.867 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 87 11.823 -4.124 -2.077 1.00 0.00 H new ATOM 0 HD11 ILE A 87 13.947 -1.327 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 87 12.550 -2.418 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 87 13.356 -2.225 -1.375 1.00 0.00 H new ATOM 1398 N GLN A 88 14.377 -7.361 -0.522 1.00 0.00 N ATOM 1399 CA GLN A 88 13.990 -8.689 -0.077 1.00 0.00 C ATOM 1400 C GLN A 88 13.983 -8.755 1.452 1.00 0.00 C ATOM 1401 O GLN A 88 13.554 -9.752 2.032 1.00 0.00 O ATOM 1402 CB GLN A 88 14.913 -9.756 -0.668 1.00 0.00 C ATOM 1403 CG GLN A 88 14.818 -9.779 -2.195 1.00 0.00 C ATOM 1404 CD GLN A 88 14.767 -11.216 -2.719 1.00 0.00 C ATOM 1405 OE1 GLN A 88 13.953 -11.384 -3.757 1.00 0.00 O flip ATOM 1406 NE2 GLN A 88 15.424 -12.112 -2.215 1.00 0.00 N flip ATOM 0 H GLN A 88 15.282 -7.315 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 88 12.980 -8.891 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.942 -9.559 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.646 -10.734 -0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.927 -9.239 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.676 -9.262 -2.624 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.030 -11.914 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.367 -13.059 -2.590 1.00 0.00 H new ATOM 1415 N GLU A 89 14.463 -7.681 2.061 1.00 0.00 N ATOM 1416 CA GLU A 89 14.518 -7.605 3.511 1.00 0.00 C ATOM 1417 C GLU A 89 13.450 -6.641 4.032 1.00 0.00 C ATOM 1418 O GLU A 89 13.478 -6.250 5.198 1.00 0.00 O ATOM 1419 CB GLU A 89 15.911 -7.188 3.986 1.00 0.00 C ATOM 1420 CG GLU A 89 16.838 -8.401 4.097 1.00 0.00 C ATOM 1421 CD GLU A 89 17.011 -8.827 5.557 1.00 0.00 C ATOM 1422 OE1 GLU A 89 16.962 -7.924 6.420 1.00 0.00 O ATOM 1423 OE2 GLU A 89 17.188 -10.044 5.775 1.00 0.00 O ATOM 0 H GLU A 89 14.817 -6.856 1.577 1.00 0.00 H new ATOM 0 HA GLU A 89 14.314 -8.596 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.335 -6.464 3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.836 -6.693 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.429 -9.230 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.810 -8.161 3.667 1.00 0.00 H new ATOM 1430 N LEU A 90 12.534 -6.286 3.143 1.00 0.00 N ATOM 1431 CA LEU A 90 11.459 -5.376 3.499 1.00 0.00 C ATOM 1432 C LEU A 90 10.136 -6.144 3.532 1.00 0.00 C ATOM 1433 O LEU A 90 10.125 -7.371 3.456 1.00 0.00 O ATOM 1434 CB LEU A 90 11.446 -4.168 2.559 1.00 0.00 C ATOM 1435 CG LEU A 90 12.727 -3.333 2.523 1.00 0.00 C ATOM 1436 CD1 LEU A 90 12.575 -2.137 1.581 1.00 0.00 C ATOM 1437 CD2 LEU A 90 13.141 -2.903 3.932 1.00 0.00 C ATOM 0 H LEU A 90 12.514 -6.612 2.177 1.00 0.00 H new ATOM 0 HA LEU A 90 11.618 -4.971 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.237 -4.521 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 90 10.620 -3.518 2.847 1.00 0.00 H new ATOM 0 HG LEU A 90 13.530 -3.955 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 90 13.500 -1.560 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.361 -2.493 0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.756 -1.505 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 90 14.054 -2.311 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.346 -2.305 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 90 13.317 -3.787 4.545 1.00 0.00 H new ATOM 1449 N ALA A 91 9.053 -5.389 3.646 1.00 0.00 N ATOM 1450 CA ALA A 91 7.728 -5.983 3.691 1.00 0.00 C ATOM 1451 C ALA A 91 6.684 -4.878 3.866 1.00 0.00 C ATOM 1452 O ALA A 91 6.753 -4.100 4.816 1.00 0.00 O ATOM 1453 CB ALA A 91 7.671 -7.023 4.812 1.00 0.00 C ATOM 0 H ALA A 91 9.066 -4.371 3.709 1.00 0.00 H new ATOM 0 HA ALA A 91 7.508 -6.500 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.677 -7.468 4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.411 -7.801 4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.885 -6.542 5.766 1.00 0.00 H new ATOM 1459 N LEU A 92 5.741 -4.846 2.936 1.00 0.00 N ATOM 1460 CA LEU A 92 4.684 -3.850 2.977 1.00 0.00 C ATOM 1461 C LEU A 92 3.504 -4.396 3.783 1.00 0.00 C ATOM 1462 O LEU A 92 3.087 -5.536 3.585 1.00 0.00 O ATOM 1463 CB LEU A 92 4.309 -3.409 1.561 1.00 0.00 C ATOM 1464 CG LEU A 92 5.477 -3.068 0.633 1.00 0.00 C ATOM 1465 CD1 LEU A 92 5.027 -3.044 -0.829 1.00 0.00 C ATOM 1466 CD2 LEU A 92 6.142 -1.754 1.049 1.00 0.00 C ATOM 0 H LEU A 92 5.687 -5.494 2.150 1.00 0.00 H new ATOM 0 HA LEU A 92 5.029 -2.950 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.723 -4.203 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.661 -2.535 1.633 1.00 0.00 H new ATOM 0 HG LEU A 92 6.227 -3.853 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.876 -2.799 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.636 -4.023 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.248 -2.293 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.969 -1.535 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.412 -0.946 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.520 -1.844 2.067 1.00 0.00 H new ATOM 1478 N HIS A 93 3.000 -3.558 4.677 1.00 0.00 N ATOM 1479 CA HIS A 93 1.877 -3.943 5.514 1.00 0.00 C ATOM 1480 C HIS A 93 0.658 -3.086 5.164 1.00 0.00 C ATOM 1481 O HIS A 93 0.626 -1.894 5.466 1.00 0.00 O ATOM 1482 CB HIS A 93 2.251 -3.864 6.995 1.00 0.00 C ATOM 1483 CG HIS A 93 1.182 -4.383 7.927 1.00 0.00 C ATOM 1484 ND1 HIS A 93 0.694 -5.643 8.110 1.00 0.00 N flip ATOM 1485 CD2 HIS A 93 0.491 -3.565 8.804 1.00 0.00 C flip ATOM 1486 CE1 HIS A 93 -0.244 -5.598 9.048 1.00 0.00 C flip ATOM 1487 NE2 HIS A 93 -0.372 -4.310 9.479 1.00 0.00 N flip ATOM 0 H HIS A 93 3.349 -2.614 4.840 1.00 0.00 H new ATOM 0 HA HIS A 93 1.615 -4.983 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.168 -4.431 7.158 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.468 -2.827 7.250 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.631 -2.500 8.919 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.812 -6.442 9.410 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.018 -3.979 10.195 1.00 0.00 H new ATOM 1495 N PHE A 94 -0.314 -3.727 4.532 1.00 0.00 N ATOM 1496 CA PHE A 94 -1.531 -3.039 4.137 1.00 0.00 C ATOM 1497 C PHE A 94 -2.658 -3.301 5.138 1.00 0.00 C ATOM 1498 O PHE A 94 -3.168 -4.417 5.225 1.00 0.00 O ATOM 1499 CB PHE A 94 -1.938 -3.596 2.771 1.00 0.00 C ATOM 1500 CG PHE A 94 -0.875 -3.418 1.685 1.00 0.00 C ATOM 1501 CD1 PHE A 94 -0.357 -2.186 1.436 1.00 0.00 C ATOM 1502 CD2 PHE A 94 -0.449 -4.493 0.969 1.00 0.00 C ATOM 1503 CE1 PHE A 94 0.629 -2.021 0.428 1.00 0.00 C ATOM 1504 CE2 PHE A 94 0.538 -4.328 -0.039 1.00 0.00 C ATOM 1505 CZ PHE A 94 1.056 -3.095 -0.289 1.00 0.00 C ATOM 0 H PHE A 94 -0.283 -4.716 4.284 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.355 -1.964 4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.162 -4.658 2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.857 -3.106 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.696 -1.333 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.861 -5.472 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 94 1.040 -1.042 0.230 1.00 0.00 H new ATOM 0 HE2 PHE A 94 0.877 -5.181 -0.607 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.806 -2.969 -1.056 1.00 0.00 H new ATOM 1515 N THR A 95 -3.014 -2.254 5.868 1.00 0.00 N ATOM 1516 CA THR A 95 -4.071 -2.357 6.859 1.00 0.00 C ATOM 1517 C THR A 95 -5.330 -1.636 6.373 1.00 0.00 C ATOM 1518 O THR A 95 -5.416 -0.411 6.448 1.00 0.00 O ATOM 1519 CB THR A 95 -3.532 -1.813 8.183 1.00 0.00 C ATOM 1520 OG1 THR A 95 -2.482 -2.713 8.528 1.00 0.00 O ATOM 1521 CG2 THR A 95 -4.537 -1.957 9.328 1.00 0.00 C ATOM 0 H THR A 95 -2.589 -1.330 5.793 1.00 0.00 H new ATOM 0 HA THR A 95 -4.368 -3.394 7.014 1.00 0.00 H new ATOM 0 HB THR A 95 -3.267 -0.763 8.062 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.177 -2.526 9.440 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.104 -1.556 10.244 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.447 -1.408 9.085 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.777 -3.011 9.471 1.00 0.00 H new ATOM 1529 N ILE A 96 -6.275 -2.427 5.886 1.00 0.00 N ATOM 1530 CA ILE A 96 -7.525 -1.879 5.388 1.00 0.00 C ATOM 1531 C ILE A 96 -8.442 -1.557 6.569 1.00 0.00 C ATOM 1532 O ILE A 96 -9.303 -2.360 6.928 1.00 0.00 O ATOM 1533 CB ILE A 96 -8.153 -2.825 4.362 1.00 0.00 C ATOM 1534 CG1 ILE A 96 -7.154 -3.178 3.258 1.00 0.00 C ATOM 1535 CG2 ILE A 96 -9.448 -2.239 3.796 1.00 0.00 C ATOM 1536 CD1 ILE A 96 -6.261 -4.347 3.680 1.00 0.00 C ATOM 0 H ILE A 96 -6.200 -3.442 5.826 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.347 -0.943 4.858 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.414 -3.754 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.691 -3.437 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.537 -2.309 3.029 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.874 -2.931 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.160 -2.080 4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.234 -1.288 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.560 -4.578 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.707 -4.076 4.579 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -6.879 -5.221 3.885 1.00 0.00 H new ATOM 1548 N LEU A 97 -8.228 -0.381 7.141 1.00 0.00 N ATOM 1549 CA LEU A 97 -9.024 0.057 8.274 1.00 0.00 C ATOM 1550 C LEU A 97 -9.907 1.231 7.848 1.00 0.00 C ATOM 1551 O LEU A 97 -9.761 1.753 6.744 1.00 0.00 O ATOM 1552 CB LEU A 97 -8.126 0.366 9.473 1.00 0.00 C ATOM 1553 CG LEU A 97 -7.463 1.745 9.476 1.00 0.00 C ATOM 1554 CD1 LEU A 97 -6.856 2.059 10.845 1.00 0.00 C ATOM 1555 CD2 LEU A 97 -6.431 1.859 8.353 1.00 0.00 C ATOM 0 H LEU A 97 -7.514 0.282 6.840 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.690 -0.741 8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.720 0.268 10.382 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.344 -0.392 9.521 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.232 2.494 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.391 3.045 10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.640 2.047 11.602 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.104 1.309 11.090 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.975 2.849 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.660 1.100 8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.922 1.709 7.391 1.00 0.00 H new ATOM 1567 N SER A 98 -10.803 1.613 8.746 1.00 0.00 N ATOM 1568 CA SER A 98 -11.710 2.716 8.476 1.00 0.00 C ATOM 1569 C SER A 98 -11.400 3.888 9.410 1.00 0.00 C ATOM 1570 O SER A 98 -10.827 3.697 10.482 1.00 0.00 O ATOM 1571 CB SER A 98 -13.168 2.282 8.635 1.00 0.00 C ATOM 1572 OG SER A 98 -13.735 2.750 9.856 1.00 0.00 O ATOM 0 H SER A 98 -10.920 1.178 9.661 1.00 0.00 H new ATOM 0 HA SER A 98 -11.565 3.034 7.443 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.752 2.660 7.796 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.228 1.194 8.601 1.00 0.00 H new ATOM 0 HG SER A 98 -14.422 2.121 10.160 1.00 0.00 H new ATOM 1578 N PHE A 99 -11.793 5.074 8.970 1.00 0.00 N ATOM 1579 CA PHE A 99 -11.564 6.276 9.753 1.00 0.00 C ATOM 1580 C PHE A 99 -12.554 6.370 10.916 1.00 0.00 C ATOM 1581 O PHE A 99 -13.766 6.358 10.706 1.00 0.00 O ATOM 1582 CB PHE A 99 -11.780 7.467 8.818 1.00 0.00 C ATOM 1583 CG PHE A 99 -12.007 8.795 9.543 1.00 0.00 C ATOM 1584 CD1 PHE A 99 -13.256 9.141 9.955 1.00 0.00 C ATOM 1585 CD2 PHE A 99 -10.959 9.630 9.776 1.00 0.00 C ATOM 1586 CE1 PHE A 99 -13.466 10.373 10.628 1.00 0.00 C ATOM 1587 CE2 PHE A 99 -11.169 10.863 10.450 1.00 0.00 C ATOM 1588 CZ PHE A 99 -12.418 11.208 10.861 1.00 0.00 C ATOM 0 H PHE A 99 -12.269 5.228 8.081 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.556 6.262 10.169 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -10.913 7.565 8.165 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -12.639 7.263 8.179 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -14.088 8.478 9.770 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.967 9.356 9.449 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -14.458 10.647 10.955 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.337 11.526 10.636 1.00 0.00 H new ATOM 0 HZ PHE A 99 -12.578 12.145 11.373 1.00 0.00 H new ATOM 1598 N ASP A 100 -12.001 6.460 12.116 1.00 0.00 N ATOM 1599 CA ASP A 100 -12.820 6.556 13.313 1.00 0.00 C ATOM 1600 C ASP A 100 -13.291 8.001 13.489 1.00 0.00 C ATOM 1601 O ASP A 100 -12.550 8.939 13.201 1.00 0.00 O ATOM 1602 CB ASP A 100 -12.024 6.163 14.558 1.00 0.00 C ATOM 1603 CG ASP A 100 -10.610 6.744 14.632 1.00 0.00 C ATOM 1604 OD1 ASP A 100 -10.509 7.958 14.909 1.00 0.00 O ATOM 1605 OD2 ASP A 100 -9.662 5.960 14.409 1.00 0.00 O ATOM 0 H ASP A 100 -10.995 6.469 12.286 1.00 0.00 H new ATOM 0 HA ASP A 100 -13.666 5.879 13.198 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -12.578 6.482 15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -11.956 5.076 14.599 1.00 0.00 H new ATOM 1610 N ARG A 101 -14.522 8.134 13.961 1.00 0.00 N ATOM 1611 CA ARG A 101 -15.101 9.449 14.179 1.00 0.00 C ATOM 1612 C ARG A 101 -14.925 9.871 15.639 1.00 0.00 C ATOM 1613 O ARG A 101 -15.392 10.936 16.041 1.00 0.00 O ATOM 1614 CB ARG A 101 -16.591 9.460 13.828 1.00 0.00 C ATOM 1615 CG ARG A 101 -17.311 8.265 14.456 1.00 0.00 C ATOM 1616 CD ARG A 101 -18.701 8.663 14.955 1.00 0.00 C ATOM 1617 NE ARG A 101 -19.741 8.046 14.102 1.00 0.00 N ATOM 1618 CZ ARG A 101 -20.179 8.573 12.951 1.00 0.00 C ATOM 1619 NH1 ARG A 101 -19.670 9.731 12.508 1.00 0.00 N ATOM 1620 NH2 ARG A 101 -21.126 7.943 12.242 1.00 0.00 N ATOM 0 H ARG A 101 -15.134 7.353 14.198 1.00 0.00 H new ATOM 0 HA ARG A 101 -14.581 10.152 13.529 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -17.044 10.387 14.179 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -16.713 9.435 12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -17.400 7.463 13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -16.721 7.875 15.285 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -18.830 8.343 15.989 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -18.804 9.748 14.941 1.00 0.00 H new ATOM 0 HE ARG A 101 -20.150 7.164 14.410 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -18.949 10.211 13.047 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -20.003 10.132 11.632 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -21.514 7.062 12.579 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -21.459 8.345 11.366 1.00 0.00 H new ATOM 1634 N PHE A 102 -14.249 9.016 16.391 1.00 0.00 N ATOM 1635 CA PHE A 102 -14.006 9.287 17.798 1.00 0.00 C ATOM 1636 C PHE A 102 -12.593 8.860 18.201 1.00 0.00 C ATOM 1637 O PHE A 102 -11.803 9.679 18.669 1.00 0.00 O ATOM 1638 CB PHE A 102 -15.021 8.465 18.594 1.00 0.00 C ATOM 1639 CG PHE A 102 -16.289 9.235 18.967 1.00 0.00 C ATOM 1640 CD1 PHE A 102 -16.204 10.356 19.732 1.00 0.00 C ATOM 1641 CD2 PHE A 102 -17.502 8.798 18.534 1.00 0.00 C ATOM 1642 CE1 PHE A 102 -17.382 11.071 20.078 1.00 0.00 C ATOM 1643 CE2 PHE A 102 -18.679 9.512 18.880 1.00 0.00 C ATOM 1644 CZ PHE A 102 -18.594 10.634 19.644 1.00 0.00 C ATOM 0 H PHE A 102 -13.862 8.135 16.053 1.00 0.00 H new ATOM 0 HA PHE A 102 -14.105 10.355 17.994 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -15.300 7.587 18.011 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.546 8.104 19.506 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -15.241 10.703 20.077 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -17.570 7.907 17.927 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.315 11.961 20.686 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -19.642 9.164 18.537 1.00 0.00 H new ATOM 0 HZ PHE A 102 -19.490 11.178 19.906 1.00 0.00 H new ATOM 1654 N SER A 103 -12.317 7.579 18.006 1.00 0.00 N ATOM 1655 CA SER A 103 -11.014 7.033 18.344 1.00 0.00 C ATOM 1656 C SER A 103 -10.964 5.544 17.998 1.00 0.00 C ATOM 1657 O SER A 103 -9.981 5.066 17.434 1.00 0.00 O ATOM 1658 CB SER A 103 -10.695 7.246 19.825 1.00 0.00 C ATOM 1659 OG SER A 103 -9.299 7.136 20.092 1.00 0.00 O ATOM 0 H SER A 103 -12.975 6.903 17.618 1.00 0.00 H new ATOM 0 HA SER A 103 -10.260 7.560 17.759 1.00 0.00 H new ATOM 0 HB2 SER A 103 -11.047 8.231 20.134 1.00 0.00 H new ATOM 0 HB3 SER A 103 -11.237 6.512 20.422 1.00 0.00 H new ATOM 0 HG SER A 103 -9.136 7.280 21.048 1.00 0.00 H new ATOM 1665 N ARG A 104 -12.037 4.851 18.351 1.00 0.00 N ATOM 1666 CA ARG A 104 -12.128 3.426 18.085 1.00 0.00 C ATOM 1667 C ARG A 104 -11.889 3.146 16.600 1.00 0.00 C ATOM 1668 O ARG A 104 -12.819 3.204 15.796 1.00 0.00 O ATOM 1669 CB ARG A 104 -13.499 2.877 18.486 1.00 0.00 C ATOM 1670 CG ARG A 104 -13.755 3.082 19.981 1.00 0.00 C ATOM 1671 CD ARG A 104 -14.515 1.894 20.574 1.00 0.00 C ATOM 1672 NE ARG A 104 -15.910 2.286 20.878 1.00 0.00 N ATOM 1673 CZ ARG A 104 -16.805 1.481 21.466 1.00 0.00 C ATOM 1674 NH1 ARG A 104 -16.458 0.235 21.816 1.00 0.00 N ATOM 1675 NH2 ARG A 104 -18.048 1.922 21.703 1.00 0.00 N ATOM 0 H ARG A 104 -12.851 5.250 18.819 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.362 2.929 18.680 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -14.278 3.375 17.908 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -13.554 1.815 18.246 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -12.806 3.208 20.502 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -14.327 3.997 20.134 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -14.508 1.060 19.872 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.019 1.551 21.482 1.00 0.00 H new ATOM 0 HE ARG A 104 -16.208 3.228 20.624 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.512 -0.101 21.635 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.140 -0.378 22.264 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -18.312 2.870 21.436 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -18.730 1.309 22.151 1.00 0.00 H new ATOM 1689 N ASP A 105 -10.638 2.850 16.279 1.00 0.00 N ATOM 1690 CA ASP A 105 -10.266 2.562 14.905 1.00 0.00 C ATOM 1691 C ASP A 105 -10.892 1.232 14.480 1.00 0.00 C ATOM 1692 O ASP A 105 -10.527 0.177 14.996 1.00 0.00 O ATOM 1693 CB ASP A 105 -8.748 2.437 14.760 1.00 0.00 C ATOM 1694 CG ASP A 105 -8.038 1.771 15.941 1.00 0.00 C ATOM 1695 OD1 ASP A 105 -8.401 2.112 17.087 1.00 0.00 O ATOM 1696 OD2 ASP A 105 -7.148 0.936 15.670 1.00 0.00 O ATOM 0 H ASP A 105 -9.869 2.804 16.948 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.622 3.381 14.281 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -8.530 1.868 13.856 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -8.328 3.433 14.618 1.00 0.00 H new ATOM 1701 N ASP A 106 -11.823 1.326 13.542 1.00 0.00 N ATOM 1702 CA ASP A 106 -12.504 0.144 13.042 1.00 0.00 C ATOM 1703 C ASP A 106 -11.695 -0.454 11.888 1.00 0.00 C ATOM 1704 O ASP A 106 -11.933 -0.131 10.726 1.00 0.00 O ATOM 1705 CB ASP A 106 -13.896 0.492 12.512 1.00 0.00 C ATOM 1706 CG ASP A 106 -15.055 0.089 13.427 1.00 0.00 C ATOM 1707 OD1 ASP A 106 -15.103 -1.106 13.789 1.00 0.00 O ATOM 1708 OD2 ASP A 106 -15.866 0.986 13.742 1.00 0.00 O ATOM 0 H ASP A 106 -12.122 2.203 13.115 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.599 -0.564 13.865 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.945 1.567 12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -14.031 0.009 11.544 1.00 0.00 H new ATOM 1713 N ILE A 107 -10.757 -1.317 12.250 1.00 0.00 N ATOM 1714 CA ILE A 107 -9.912 -1.963 11.260 1.00 0.00 C ATOM 1715 C ILE A 107 -10.645 -3.177 10.686 1.00 0.00 C ATOM 1716 O ILE A 107 -10.845 -4.172 11.381 1.00 0.00 O ATOM 1717 CB ILE A 107 -8.544 -2.297 11.859 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -7.800 -1.024 12.269 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -7.721 -3.158 10.899 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -6.873 -1.290 13.457 1.00 0.00 C ATOM 0 H ILE A 107 -10.564 -1.584 13.215 1.00 0.00 H new ATOM 0 HA ILE A 107 -9.713 -1.287 10.428 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.701 -2.884 12.764 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -7.219 -0.651 11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.518 -0.247 12.530 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.754 -3.381 11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.252 -4.089 10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -7.571 -2.618 9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.356 -0.370 13.728 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -7.461 -1.640 14.306 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -6.141 -2.050 13.184 1.00 0.00 H new ATOM 1732 N ILE A 108 -11.024 -3.056 9.422 1.00 0.00 N ATOM 1733 CA ILE A 108 -11.730 -4.131 8.746 1.00 0.00 C ATOM 1734 C ILE A 108 -10.854 -5.385 8.739 1.00 0.00 C ATOM 1735 O ILE A 108 -11.320 -6.475 9.070 1.00 0.00 O ATOM 1736 CB ILE A 108 -12.177 -3.686 7.353 1.00 0.00 C ATOM 1737 CG1 ILE A 108 -13.295 -2.644 7.442 1.00 0.00 C ATOM 1738 CG2 ILE A 108 -12.581 -4.888 6.496 1.00 0.00 C ATOM 1739 CD1 ILE A 108 -13.301 -1.739 6.208 1.00 0.00 C ATOM 0 H ILE A 108 -10.855 -2.230 8.848 1.00 0.00 H new ATOM 0 HA ILE A 108 -12.644 -4.383 9.283 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.330 -3.209 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.258 -3.146 7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -13.163 -2.040 8.340 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.895 -4.543 5.511 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.731 -5.562 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.406 -5.416 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -14.105 -1.008 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -12.345 -1.220 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -13.457 -2.343 5.314 1.00 0.00 H new ATOM 1751 N GLY A 109 -9.600 -5.190 8.359 1.00 0.00 N ATOM 1752 CA GLY A 109 -8.654 -6.292 8.305 1.00 0.00 C ATOM 1753 C GLY A 109 -7.239 -5.787 8.017 1.00 0.00 C ATOM 1754 O GLY A 109 -7.041 -4.601 7.756 1.00 0.00 O ATOM 0 H GLY A 109 -9.217 -4.285 8.085 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.665 -6.832 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.956 -6.998 7.531 1.00 0.00 H new ATOM 1758 N GLU A 110 -6.292 -6.711 8.074 1.00 0.00 N ATOM 1759 CA GLU A 110 -4.901 -6.374 7.823 1.00 0.00 C ATOM 1760 C GLU A 110 -4.338 -7.245 6.698 1.00 0.00 C ATOM 1761 O GLU A 110 -4.853 -8.330 6.432 1.00 0.00 O ATOM 1762 CB GLU A 110 -4.064 -6.515 9.097 1.00 0.00 C ATOM 1763 CG GLU A 110 -4.495 -5.494 10.152 1.00 0.00 C ATOM 1764 CD GLU A 110 -3.782 -5.746 11.482 1.00 0.00 C ATOM 1765 OE1 GLU A 110 -2.542 -5.902 11.440 1.00 0.00 O ATOM 1766 OE2 GLU A 110 -4.492 -5.776 12.510 1.00 0.00 O ATOM 0 H GLU A 110 -6.460 -7.693 8.290 1.00 0.00 H new ATOM 0 HA GLU A 110 -4.851 -5.332 7.508 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.171 -7.523 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.009 -6.376 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.272 -4.487 9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.574 -5.549 10.297 1.00 0.00 H new ATOM 1773 N VAL A 111 -3.289 -6.737 6.068 1.00 0.00 N ATOM 1774 CA VAL A 111 -2.651 -7.455 4.978 1.00 0.00 C ATOM 1775 C VAL A 111 -1.138 -7.245 5.051 1.00 0.00 C ATOM 1776 O VAL A 111 -0.671 -6.248 5.600 1.00 0.00 O ATOM 1777 CB VAL A 111 -3.251 -7.017 3.640 1.00 0.00 C ATOM 1778 CG1 VAL A 111 -2.241 -7.188 2.504 1.00 0.00 C ATOM 1779 CG2 VAL A 111 -4.545 -7.778 3.344 1.00 0.00 C ATOM 0 H VAL A 111 -2.865 -5.837 6.292 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.836 -8.526 5.067 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.496 -5.957 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.693 -6.870 1.565 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.359 -6.581 2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.951 -8.236 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.951 -7.448 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.337 -8.847 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -5.271 -7.582 4.133 1.00 0.00 H new ATOM 1789 N LEU A 112 -0.412 -8.202 4.491 1.00 0.00 N ATOM 1790 CA LEU A 112 1.040 -8.135 4.486 1.00 0.00 C ATOM 1791 C LEU A 112 1.570 -8.739 3.185 1.00 0.00 C ATOM 1792 O LEU A 112 0.989 -9.684 2.654 1.00 0.00 O ATOM 1793 CB LEU A 112 1.610 -8.789 5.746 1.00 0.00 C ATOM 1794 CG LEU A 112 3.136 -8.853 5.836 1.00 0.00 C ATOM 1795 CD1 LEU A 112 3.703 -7.572 6.453 1.00 0.00 C ATOM 1796 CD2 LEU A 112 3.589 -10.103 6.593 1.00 0.00 C ATOM 0 H LEU A 112 -0.802 -9.028 4.038 1.00 0.00 H new ATOM 0 HA LEU A 112 1.374 -7.098 4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.237 -8.245 6.614 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.219 -9.804 5.813 1.00 0.00 H new ATOM 0 HG LEU A 112 3.535 -8.927 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.789 -7.643 6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.425 -6.717 5.836 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.299 -7.442 7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.678 -10.124 6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.180 -10.085 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.232 -10.992 6.073 1.00 0.00 H new ATOM 1808 N ILE A 113 2.667 -8.169 2.709 1.00 0.00 N ATOM 1809 CA ILE A 113 3.282 -8.640 1.479 1.00 0.00 C ATOM 1810 C ILE A 113 4.802 -8.515 1.594 1.00 0.00 C ATOM 1811 O ILE A 113 5.357 -7.435 1.395 1.00 0.00 O ATOM 1812 CB ILE A 113 2.694 -7.908 0.271 1.00 0.00 C ATOM 1813 CG1 ILE A 113 2.568 -8.846 -0.931 1.00 0.00 C ATOM 1814 CG2 ILE A 113 3.509 -6.656 -0.061 1.00 0.00 C ATOM 1815 CD1 ILE A 113 1.352 -9.763 -0.786 1.00 0.00 C ATOM 0 H ILE A 113 3.146 -7.385 3.153 1.00 0.00 H new ATOM 0 HA ILE A 113 3.059 -9.695 1.322 1.00 0.00 H new ATOM 0 HB ILE A 113 1.687 -7.578 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.479 -8.260 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.472 -9.447 -1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.070 -6.154 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 113 3.503 -5.980 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.536 -6.941 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.286 -10.419 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.456 -10.365 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.447 -9.159 -0.718 1.00 0.00 H new ATOM 1827 N PRO A 114 5.450 -9.664 1.924 1.00 0.00 N ATOM 1828 CA PRO A 114 6.896 -9.693 2.068 1.00 0.00 C ATOM 1829 C PRO A 114 7.584 -9.657 0.702 1.00 0.00 C ATOM 1830 O PRO A 114 7.379 -10.545 -0.125 1.00 0.00 O ATOM 1831 CB PRO A 114 7.188 -10.966 2.846 1.00 0.00 C ATOM 1832 CG PRO A 114 5.948 -11.834 2.706 1.00 0.00 C ATOM 1833 CD PRO A 114 4.826 -10.961 2.168 1.00 0.00 C ATOM 0 HA PRO A 114 7.284 -8.821 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 114 8.067 -11.474 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.394 -10.745 3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 114 6.140 -12.668 2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.671 -12.261 3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 114 4.405 -11.377 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 114 4.009 -10.879 2.885 1.00 0.00 H new ATOM 1841 N LEU A 115 8.386 -8.621 0.506 1.00 0.00 N ATOM 1842 CA LEU A 115 9.105 -8.457 -0.746 1.00 0.00 C ATOM 1843 C LEU A 115 10.276 -9.440 -0.789 1.00 0.00 C ATOM 1844 O LEU A 115 11.017 -9.486 -1.769 1.00 0.00 O ATOM 1845 CB LEU A 115 9.520 -6.997 -0.938 1.00 0.00 C ATOM 1846 CG LEU A 115 8.452 -5.948 -0.620 1.00 0.00 C ATOM 1847 CD1 LEU A 115 8.839 -4.582 -1.189 1.00 0.00 C ATOM 1848 CD2 LEU A 115 7.075 -6.403 -1.107 1.00 0.00 C ATOM 0 H LEU A 115 8.554 -7.886 1.193 1.00 0.00 H new ATOM 0 HA LEU A 115 8.458 -8.694 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.390 -6.802 -0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 115 9.836 -6.863 -1.973 1.00 0.00 H new ATOM 0 HG LEU A 115 8.391 -5.840 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.063 -3.855 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.785 -4.261 -0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.945 -4.655 -2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.334 -5.640 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.103 -6.557 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.805 -7.337 -0.614 1.00 0.00 H new ATOM 1860 N SER A 116 10.407 -10.202 0.287 1.00 0.00 N ATOM 1861 CA SER A 116 11.476 -11.182 0.385 1.00 0.00 C ATOM 1862 C SER A 116 11.224 -12.330 -0.595 1.00 0.00 C ATOM 1863 O SER A 116 10.441 -13.234 -0.310 1.00 0.00 O ATOM 1864 CB SER A 116 11.601 -11.720 1.812 1.00 0.00 C ATOM 1865 OG SER A 116 12.690 -12.630 1.945 1.00 0.00 O ATOM 0 H SER A 116 9.791 -10.161 1.099 1.00 0.00 H new ATOM 0 HA SER A 116 12.415 -10.692 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 116 11.737 -10.888 2.503 1.00 0.00 H new ATOM 0 HB3 SER A 116 10.674 -12.220 2.094 1.00 0.00 H new ATOM 0 HG SER A 116 13.528 -12.128 2.023 1.00 0.00 H new ATOM 1871 N GLY A 117 11.904 -12.256 -1.730 1.00 0.00 N ATOM 1872 CA GLY A 117 11.764 -13.278 -2.754 1.00 0.00 C ATOM 1873 C GLY A 117 11.155 -12.695 -4.031 1.00 0.00 C ATOM 1874 O GLY A 117 11.400 -13.199 -5.126 1.00 0.00 O ATOM 0 H GLY A 117 12.553 -11.505 -1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 117 12.739 -13.711 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 117 11.134 -14.086 -2.382 1.00 0.00 H new ATOM 1878 N ILE A 118 10.372 -11.641 -3.847 1.00 0.00 N ATOM 1879 CA ILE A 118 9.726 -10.985 -4.971 1.00 0.00 C ATOM 1880 C ILE A 118 10.787 -10.572 -5.994 1.00 0.00 C ATOM 1881 O ILE A 118 11.912 -10.239 -5.626 1.00 0.00 O ATOM 1882 CB ILE A 118 8.856 -9.824 -4.485 1.00 0.00 C ATOM 1883 CG1 ILE A 118 7.522 -10.332 -3.935 1.00 0.00 C ATOM 1884 CG2 ILE A 118 8.662 -8.784 -5.590 1.00 0.00 C ATOM 1885 CD1 ILE A 118 6.511 -10.549 -5.062 1.00 0.00 C ATOM 0 H ILE A 118 10.171 -11.226 -2.937 1.00 0.00 H new ATOM 0 HA ILE A 118 9.047 -11.673 -5.475 1.00 0.00 H new ATOM 0 HB ILE A 118 9.375 -9.328 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.679 -11.267 -3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.124 -9.615 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.040 -7.970 -5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.632 -8.390 -5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 118 8.175 -9.250 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.572 -10.910 -4.644 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.338 -9.607 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.902 -11.285 -5.765 1.00 0.00 H new ATOM 1897 N GLU A 119 10.390 -10.608 -7.257 1.00 0.00 N ATOM 1898 CA GLU A 119 11.292 -10.242 -8.336 1.00 0.00 C ATOM 1899 C GLU A 119 10.717 -9.071 -9.135 1.00 0.00 C ATOM 1900 O GLU A 119 9.886 -9.268 -10.020 1.00 0.00 O ATOM 1901 CB GLU A 119 11.574 -11.440 -9.245 1.00 0.00 C ATOM 1902 CG GLU A 119 12.793 -12.225 -8.755 1.00 0.00 C ATOM 1903 CD GLU A 119 13.081 -13.418 -9.669 1.00 0.00 C ATOM 1904 OE1 GLU A 119 12.981 -13.226 -10.900 1.00 0.00 O ATOM 1905 OE2 GLU A 119 13.394 -14.494 -9.116 1.00 0.00 O ATOM 0 H GLU A 119 9.456 -10.885 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 119 12.240 -9.928 -7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.702 -12.094 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 119 11.745 -11.095 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.663 -11.569 -8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.619 -12.575 -7.738 1.00 0.00 H new ATOM 1912 N LEU A 120 11.182 -7.878 -8.794 1.00 0.00 N ATOM 1913 CA LEU A 120 10.724 -6.676 -9.468 1.00 0.00 C ATOM 1914 C LEU A 120 11.657 -6.367 -10.641 1.00 0.00 C ATOM 1915 O LEU A 120 11.326 -5.558 -11.506 1.00 0.00 O ATOM 1916 CB LEU A 120 10.585 -5.523 -8.472 1.00 0.00 C ATOM 1917 CG LEU A 120 9.548 -5.714 -7.364 1.00 0.00 C ATOM 1918 CD1 LEU A 120 9.930 -4.922 -6.112 1.00 0.00 C ATOM 1919 CD2 LEU A 120 8.144 -5.360 -7.860 1.00 0.00 C ATOM 0 H LEU A 120 11.871 -7.719 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 120 9.728 -6.829 -9.884 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.556 -5.352 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 120 10.333 -4.619 -9.026 1.00 0.00 H new ATOM 0 HG LEU A 120 9.536 -6.768 -7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.176 -5.076 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 120 10.898 -5.264 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 120 9.988 -3.861 -6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 120 7.426 -5.505 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 120 8.124 -4.319 -8.182 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.881 -6.004 -8.699 1.00 0.00 H new ATOM 1931 N SER A 121 12.806 -7.027 -10.631 1.00 0.00 N ATOM 1932 CA SER A 121 13.789 -6.833 -11.683 1.00 0.00 C ATOM 1933 C SER A 121 13.089 -6.701 -13.036 1.00 0.00 C ATOM 1934 O SER A 121 13.151 -5.649 -13.671 1.00 0.00 O ATOM 1935 CB SER A 121 14.795 -7.986 -11.716 1.00 0.00 C ATOM 1936 OG SER A 121 14.223 -9.178 -12.249 1.00 0.00 O ATOM 0 H SER A 121 13.078 -7.696 -9.911 1.00 0.00 H new ATOM 0 HA SER A 121 14.337 -5.914 -11.474 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.658 -7.698 -12.317 1.00 0.00 H new ATOM 0 HB3 SER A 121 15.159 -8.178 -10.707 1.00 0.00 H new ATOM 0 HG SER A 121 14.897 -9.890 -12.255 1.00 0.00 H new ATOM 1942 N GLU A 122 12.439 -7.783 -13.438 1.00 0.00 N ATOM 1943 CA GLU A 122 11.727 -7.801 -14.705 1.00 0.00 C ATOM 1944 C GLU A 122 11.057 -6.449 -14.957 1.00 0.00 C ATOM 1945 O GLU A 122 11.087 -5.935 -16.074 1.00 0.00 O ATOM 1946 CB GLU A 122 10.703 -8.937 -14.742 1.00 0.00 C ATOM 1947 CG GLU A 122 11.331 -10.225 -15.279 1.00 0.00 C ATOM 1948 CD GLU A 122 10.475 -10.830 -16.393 1.00 0.00 C ATOM 1949 OE1 GLU A 122 9.304 -11.154 -16.097 1.00 0.00 O ATOM 1950 OE2 GLU A 122 11.010 -10.954 -17.516 1.00 0.00 O ATOM 0 H GLU A 122 12.390 -8.654 -12.909 1.00 0.00 H new ATOM 0 HA GLU A 122 12.448 -7.980 -15.502 1.00 0.00 H new ATOM 0 HB2 GLU A 122 10.310 -9.110 -13.740 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.859 -8.650 -15.370 1.00 0.00 H new ATOM 0 HG2 GLU A 122 12.331 -10.015 -15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 122 11.441 -10.945 -14.468 1.00 0.00 H new ATOM 1957 N GLY A 123 10.466 -5.911 -13.899 1.00 0.00 N ATOM 1958 CA GLY A 123 9.790 -4.629 -13.991 1.00 0.00 C ATOM 1959 C GLY A 123 8.711 -4.500 -12.914 1.00 0.00 C ATOM 1960 O GLY A 123 8.924 -4.891 -11.767 1.00 0.00 O ATOM 0 H GLY A 123 10.442 -6.340 -12.974 1.00 0.00 H new ATOM 0 HA2 GLY A 123 10.515 -3.823 -13.883 1.00 0.00 H new ATOM 0 HA3 GLY A 123 9.339 -4.522 -14.977 1.00 0.00 H new ATOM 1964 N LYS A 124 7.576 -3.950 -13.321 1.00 0.00 N ATOM 1965 CA LYS A 124 6.464 -3.764 -12.405 1.00 0.00 C ATOM 1966 C LYS A 124 5.528 -4.972 -12.494 1.00 0.00 C ATOM 1967 O LYS A 124 5.252 -5.468 -13.585 1.00 0.00 O ATOM 1968 CB LYS A 124 5.769 -2.427 -12.670 1.00 0.00 C ATOM 1969 CG LYS A 124 4.551 -2.253 -11.761 1.00 0.00 C ATOM 1970 CD LYS A 124 3.715 -1.044 -12.189 1.00 0.00 C ATOM 1971 CE LYS A 124 3.402 -0.143 -10.993 1.00 0.00 C ATOM 1972 NZ LYS A 124 1.961 0.193 -10.961 1.00 0.00 N ATOM 0 H LYS A 124 7.403 -3.627 -14.273 1.00 0.00 H new ATOM 0 HA LYS A 124 6.822 -3.712 -11.377 1.00 0.00 H new ATOM 0 HB2 LYS A 124 6.471 -1.609 -12.505 1.00 0.00 H new ATOM 0 HB3 LYS A 124 5.459 -2.375 -13.714 1.00 0.00 H new ATOM 0 HG2 LYS A 124 3.938 -3.153 -11.793 1.00 0.00 H new ATOM 0 HG3 LYS A 124 4.878 -2.126 -10.729 1.00 0.00 H new ATOM 0 HD2 LYS A 124 4.254 -0.475 -12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 124 2.786 -1.383 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 124 3.685 -0.645 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS A 124 3.993 0.771 -11.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 1.672 0.387 -9.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 1.788 1.035 -11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 1.410 -0.607 -11.333 1.00 0.00 H new ATOM 1986 N MET A 125 5.067 -5.409 -11.332 1.00 0.00 N ATOM 1987 CA MET A 125 4.168 -6.549 -11.265 1.00 0.00 C ATOM 1988 C MET A 125 2.939 -6.229 -10.412 1.00 0.00 C ATOM 1989 O MET A 125 3.059 -5.630 -9.344 1.00 0.00 O ATOM 1990 CB MET A 125 4.908 -7.748 -10.666 1.00 0.00 C ATOM 1991 CG MET A 125 5.105 -7.573 -9.159 1.00 0.00 C ATOM 1992 SD MET A 125 5.891 -9.021 -8.474 1.00 0.00 S ATOM 1993 CE MET A 125 7.605 -8.591 -8.723 1.00 0.00 C ATOM 0 H MET A 125 5.299 -4.995 -10.429 1.00 0.00 H new ATOM 0 HA MET A 125 3.834 -6.785 -12.275 1.00 0.00 H new ATOM 0 HB2 MET A 125 4.345 -8.661 -10.859 1.00 0.00 H new ATOM 0 HB3 MET A 125 5.877 -7.862 -11.152 1.00 0.00 H new ATOM 0 HG2 MET A 125 5.715 -6.691 -8.964 1.00 0.00 H new ATOM 0 HG3 MET A 125 4.142 -7.408 -8.675 1.00 0.00 H new ATOM 0 HE1 MET A 125 8.213 -9.496 -8.707 1.00 0.00 H new ATOM 0 HE2 MET A 125 7.719 -8.094 -9.686 1.00 0.00 H new ATOM 0 HE3 MET A 125 7.931 -7.921 -7.928 1.00 0.00 H new ATOM 2003 N LEU A 126 1.785 -6.643 -10.915 1.00 0.00 N ATOM 2004 CA LEU A 126 0.535 -6.408 -10.213 1.00 0.00 C ATOM 2005 C LEU A 126 0.314 -7.522 -9.188 1.00 0.00 C ATOM 2006 O LEU A 126 0.595 -8.688 -9.462 1.00 0.00 O ATOM 2007 CB LEU A 126 -0.616 -6.249 -11.207 1.00 0.00 C ATOM 2008 CG LEU A 126 -1.619 -5.135 -10.900 1.00 0.00 C ATOM 2009 CD1 LEU A 126 -1.934 -5.078 -9.403 1.00 0.00 C ATOM 2010 CD2 LEU A 126 -1.125 -3.789 -11.433 1.00 0.00 C ATOM 0 H LEU A 126 1.690 -7.140 -11.801 1.00 0.00 H new ATOM 0 HA LEU A 126 0.579 -5.470 -9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.194 -6.068 -12.195 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -1.157 -7.194 -11.260 1.00 0.00 H new ATOM 0 HG LEU A 126 -2.551 -5.363 -11.417 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.649 -4.278 -9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.360 -6.029 -9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -1.017 -4.886 -8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -1.857 -3.015 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.173 -3.540 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -0.993 -3.852 -12.513 1.00 0.00 H new ATOM 2022 N MET A 127 -0.189 -7.125 -8.028 1.00 0.00 N ATOM 2023 CA MET A 127 -0.451 -8.075 -6.961 1.00 0.00 C ATOM 2024 C MET A 127 -1.743 -7.725 -6.221 1.00 0.00 C ATOM 2025 O MET A 127 -2.178 -6.574 -6.233 1.00 0.00 O ATOM 2026 CB MET A 127 0.719 -8.072 -5.975 1.00 0.00 C ATOM 2027 CG MET A 127 2.013 -8.516 -6.660 1.00 0.00 C ATOM 2028 SD MET A 127 2.816 -9.780 -5.689 1.00 0.00 S ATOM 2029 CE MET A 127 2.815 -8.989 -4.089 1.00 0.00 C ATOM 0 H MET A 127 -0.422 -6.158 -7.804 1.00 0.00 H new ATOM 0 HA MET A 127 -0.563 -9.066 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 127 0.847 -7.072 -5.560 1.00 0.00 H new ATOM 0 HB3 MET A 127 0.498 -8.737 -5.141 1.00 0.00 H new ATOM 0 HG2 MET A 127 1.794 -8.897 -7.658 1.00 0.00 H new ATOM 0 HG3 MET A 127 2.680 -7.663 -6.784 1.00 0.00 H new ATOM 0 HE1 MET A 127 3.697 -9.299 -3.529 1.00 0.00 H new ATOM 0 HE2 MET A 127 2.829 -7.907 -4.218 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.918 -9.277 -3.541 1.00 0.00 H new ATOM 2039 N ASN A 128 -2.321 -8.738 -5.593 1.00 0.00 N ATOM 2040 CA ASN A 128 -3.555 -8.552 -4.848 1.00 0.00 C ATOM 2041 C ASN A 128 -3.428 -9.229 -3.482 1.00 0.00 C ATOM 2042 O ASN A 128 -2.614 -10.134 -3.307 1.00 0.00 O ATOM 2043 CB ASN A 128 -4.741 -9.183 -5.580 1.00 0.00 C ATOM 2044 CG ASN A 128 -4.310 -10.439 -6.340 1.00 0.00 C ATOM 2045 OD1 ASN A 128 -4.059 -10.418 -7.534 1.00 0.00 O ATOM 2046 ND2 ASN A 128 -4.240 -11.531 -5.585 1.00 0.00 N ATOM 0 H ASN A 128 -1.958 -9.691 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 128 -3.726 -7.481 -4.741 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -5.522 -9.437 -4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -5.169 -8.461 -6.276 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -3.963 -12.421 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -4.464 -11.479 -4.591 1.00 0.00 H new ATOM 2053 N ARG A 129 -4.246 -8.764 -2.549 1.00 0.00 N ATOM 2054 CA ARG A 129 -4.236 -9.314 -1.203 1.00 0.00 C ATOM 2055 C ARG A 129 -5.664 -9.442 -0.671 1.00 0.00 C ATOM 2056 O ARG A 129 -6.525 -8.623 -0.990 1.00 0.00 O ATOM 2057 CB ARG A 129 -3.423 -8.431 -0.254 1.00 0.00 C ATOM 2058 CG ARG A 129 -1.960 -8.879 -0.206 1.00 0.00 C ATOM 2059 CD ARG A 129 -1.829 -10.250 0.460 1.00 0.00 C ATOM 2060 NE ARG A 129 -0.973 -11.133 -0.363 1.00 0.00 N ATOM 2061 CZ ARG A 129 -0.463 -12.296 0.064 1.00 0.00 C ATOM 2062 NH1 ARG A 129 -0.721 -12.725 1.307 1.00 0.00 N ATOM 2063 NH2 ARG A 129 0.304 -13.032 -0.753 1.00 0.00 N ATOM 0 H ARG A 129 -4.920 -8.013 -2.698 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.773 -10.300 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -3.479 -7.393 -0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -3.853 -8.474 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -1.555 -8.922 -1.217 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -1.369 -8.146 0.343 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -1.401 -10.140 1.456 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -2.815 -10.699 0.585 1.00 0.00 H new ATOM 0 HE ARG A 129 -0.758 -10.838 -1.315 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.306 -12.166 1.928 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.333 -13.610 1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.499 -12.707 -1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 129 0.692 -13.917 -0.428 1.00 0.00 H new ATOM 2077 N GLU A 130 -5.873 -10.476 0.130 1.00 0.00 N ATOM 2078 CA GLU A 130 -7.182 -10.723 0.709 1.00 0.00 C ATOM 2079 C GLU A 130 -7.247 -10.163 2.131 1.00 0.00 C ATOM 2080 O GLU A 130 -6.276 -10.249 2.882 1.00 0.00 O ATOM 2081 CB GLU A 130 -7.518 -12.215 0.691 1.00 0.00 C ATOM 2082 CG GLU A 130 -6.965 -12.916 1.934 1.00 0.00 C ATOM 2083 CD GLU A 130 -6.720 -14.402 1.662 1.00 0.00 C ATOM 2084 OE1 GLU A 130 -7.710 -15.161 1.725 1.00 0.00 O ATOM 2085 OE2 GLU A 130 -5.547 -14.744 1.397 1.00 0.00 O ATOM 0 H GLU A 130 -5.157 -11.153 0.392 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.928 -10.210 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.599 -12.348 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.102 -12.674 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.033 -12.440 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.666 -12.805 2.761 1.00 0.00 H new ATOM 2092 N ILE A 131 -8.401 -9.601 2.460 1.00 0.00 N ATOM 2093 CA ILE A 131 -8.606 -9.027 3.779 1.00 0.00 C ATOM 2094 C ILE A 131 -9.421 -10.000 4.633 1.00 0.00 C ATOM 2095 O ILE A 131 -10.570 -10.300 4.313 1.00 0.00 O ATOM 2096 CB ILE A 131 -9.231 -7.635 3.666 1.00 0.00 C ATOM 2097 CG1 ILE A 131 -8.249 -6.641 3.043 1.00 0.00 C ATOM 2098 CG2 ILE A 131 -9.748 -7.155 5.024 1.00 0.00 C ATOM 2099 CD1 ILE A 131 -8.660 -6.288 1.612 1.00 0.00 C ATOM 0 H ILE A 131 -9.204 -9.531 1.835 1.00 0.00 H new ATOM 0 HA ILE A 131 -7.651 -8.882 4.284 1.00 0.00 H new ATOM 0 HB ILE A 131 -10.090 -7.700 2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -8.210 -5.735 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -7.246 -7.067 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -10.187 -6.163 4.916 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -10.504 -7.849 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -8.921 -7.110 5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -7.945 -5.580 1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -8.674 -7.193 1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -9.654 -5.840 1.619 1.00 0.00 H new ATOM 2111 N ILE A 132 -8.794 -10.466 5.703 1.00 0.00 N ATOM 2112 CA ILE A 132 -9.447 -11.399 6.605 1.00 0.00 C ATOM 2113 C ILE A 132 -9.413 -10.835 8.027 1.00 0.00 C ATOM 2114 O ILE A 132 -9.017 -9.689 8.235 1.00 0.00 O ATOM 2115 CB ILE A 132 -8.822 -12.790 6.481 1.00 0.00 C ATOM 2116 CG1 ILE A 132 -7.300 -12.699 6.363 1.00 0.00 C ATOM 2117 CG2 ILE A 132 -9.442 -13.568 5.319 1.00 0.00 C ATOM 2118 CD1 ILE A 132 -6.676 -12.206 7.670 1.00 0.00 C ATOM 0 H ILE A 132 -7.841 -10.215 5.965 1.00 0.00 H new ATOM 0 HA ILE A 132 -10.496 -11.520 6.334 1.00 0.00 H new ATOM 0 HB ILE A 132 -9.041 -13.345 7.393 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -6.893 -13.677 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -7.035 -12.022 5.551 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -8.980 -14.553 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.513 -13.680 5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -9.275 -13.026 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -5.593 -12.151 7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -7.067 -11.217 7.910 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -6.923 -12.898 8.475 1.00 0.00 H new ATOM 2130 N SER A 133 -9.835 -11.665 8.969 1.00 0.00 N ATOM 2131 CA SER A 133 -9.858 -11.264 10.365 1.00 0.00 C ATOM 2132 C SER A 133 -8.501 -11.542 11.013 1.00 0.00 C ATOM 2133 O SER A 133 -8.371 -12.463 11.819 1.00 0.00 O ATOM 2134 CB SER A 133 -10.969 -11.988 11.129 1.00 0.00 C ATOM 2135 OG SER A 133 -10.919 -11.719 12.527 1.00 0.00 O ATOM 0 H SER A 133 -10.164 -12.614 8.793 1.00 0.00 H new ATOM 0 HA SER A 133 -10.062 -10.194 10.409 1.00 0.00 H new ATOM 0 HB2 SER A 133 -11.938 -11.682 10.736 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.882 -13.062 10.963 1.00 0.00 H new ATOM 0 HG SER A 133 -11.645 -12.198 12.978 1.00 0.00 H new ATOM 2141 N GLY A 134 -7.523 -10.731 10.637 1.00 0.00 N ATOM 2142 CA GLY A 134 -6.180 -10.879 11.171 1.00 0.00 C ATOM 2143 C GLY A 134 -5.571 -12.220 10.758 1.00 0.00 C ATOM 2144 O GLY A 134 -6.292 -13.189 10.526 1.00 0.00 O ATOM 0 H GLY A 134 -7.634 -9.969 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -5.551 -10.064 10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -6.207 -10.807 12.258 1.00 0.00 H new ATOM 2148 N PRO A 135 -4.213 -12.235 10.679 1.00 0.00 N ATOM 2149 CA PRO A 135 -3.498 -13.441 10.298 1.00 0.00 C ATOM 2150 C PRO A 135 -3.476 -14.450 11.448 1.00 0.00 C ATOM 2151 O PRO A 135 -3.920 -15.587 11.290 1.00 0.00 O ATOM 2152 CB PRO A 135 -2.111 -12.967 9.897 1.00 0.00 C ATOM 2153 CG PRO A 135 -1.952 -11.583 10.506 1.00 0.00 C ATOM 2154 CD PRO A 135 -3.326 -11.107 10.947 1.00 0.00 C ATOM 0 HA PRO A 135 -3.976 -13.971 9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -1.344 -13.647 10.267 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -2.009 -12.931 8.812 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.269 -11.616 11.355 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -1.524 -10.893 9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -3.332 -10.841 12.004 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.635 -10.220 10.393 1.00 0.00 H new ATOM 2162 N SER A 136 -2.954 -13.999 12.579 1.00 0.00 N ATOM 2163 CA SER A 136 -2.868 -14.848 13.755 1.00 0.00 C ATOM 2164 C SER A 136 -3.010 -14.003 15.023 1.00 0.00 C ATOM 2165 O SER A 136 -2.023 -13.484 15.541 1.00 0.00 O ATOM 2166 CB SER A 136 -1.549 -15.623 13.779 1.00 0.00 C ATOM 2167 OG SER A 136 -0.432 -14.768 14.002 1.00 0.00 O ATOM 0 H SER A 136 -2.586 -13.056 12.706 1.00 0.00 H new ATOM 0 HA SER A 136 -3.683 -15.571 13.715 1.00 0.00 H new ATOM 0 HB2 SER A 136 -1.588 -16.380 14.562 1.00 0.00 H new ATOM 0 HB3 SER A 136 -1.420 -16.149 12.833 1.00 0.00 H new ATOM 0 HG SER A 136 -0.738 -13.929 14.405 1.00 0.00 H new ATOM 2173 N SER A 137 -4.247 -13.891 15.486 1.00 0.00 N ATOM 2174 CA SER A 137 -4.530 -13.118 16.683 1.00 0.00 C ATOM 2175 C SER A 137 -5.517 -13.876 17.573 1.00 0.00 C ATOM 2176 O SER A 137 -6.233 -14.759 17.102 1.00 0.00 O ATOM 2177 CB SER A 137 -5.087 -11.738 16.328 1.00 0.00 C ATOM 2178 OG SER A 137 -6.112 -11.814 15.340 1.00 0.00 O ATOM 0 H SER A 137 -5.064 -14.323 15.054 1.00 0.00 H new ATOM 0 HA SER A 137 -3.596 -12.974 17.227 1.00 0.00 H new ATOM 0 HB2 SER A 137 -5.484 -11.265 17.226 1.00 0.00 H new ATOM 0 HB3 SER A 137 -4.279 -11.103 15.964 1.00 0.00 H new ATOM 0 HG SER A 137 -6.443 -10.913 15.142 1.00 0.00 H new ATOM 2184 N GLY A 138 -5.524 -13.503 18.845 1.00 0.00 N ATOM 2185 CA GLY A 138 -6.412 -14.136 19.805 1.00 0.00 C ATOM 2186 C GLY A 138 -5.623 -14.713 20.983 1.00 0.00 C ATOM 2187 O GLY A 138 -6.111 -14.731 22.112 1.00 0.00 O ATOM 0 H GLY A 138 -4.929 -12.771 19.232 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -7.137 -13.409 20.170 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -6.976 -14.931 19.316 1.00 0.00 H new TER 2191 GLY A 138