USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 591 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 36 TYR OH : rot 120:sc= -0.0602 USER MOD Set 1.2: A 48 SER OG : rot 180:sc=-0.00724 USER MOD Set 1.3: A 49 HIS : no HD1:sc= -0.0822 X(o=-0.15,f=-0.51) USER MOD Set 2.1: A 14 THR OG1 : rot -172:sc= -0.355 USER MOD Set 2.2: A 16 GLN : amide:sc= -3.6! C(o=-4!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0458 USER MOD Single : A 5 SER OG : rot 27:sc= 0.993 USER MOD Single : A 6 SER OG : rot 35:sc= 0.872 USER MOD Single : A 11 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.62) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.2) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.74! C(o=-2.7!,f=-2.7!) USER MOD Single : A 27 TYR OH : rot 165:sc= -0.511 USER MOD Single : A 28 THR OG1 : rot 104:sc= 1.07 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0615 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -4.45! C(o=-4.5!,f=-6.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0444 X(o=-0.044,f=-0.088) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.0638 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.663 -24.955 14.386 1.00 0.00 N ATOM 2 CA GLY A 1 -0.669 -24.992 15.443 1.00 0.00 C ATOM 3 C GLY A 1 0.735 -25.197 14.912 1.00 0.00 C ATOM 4 O GLY A 1 1.609 -24.352 15.104 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.606 -24.813 14.801 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.449 -24.172 13.736 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.647 -25.854 13.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.708 -24.060 16.007 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.912 -25.796 16.138 1.00 0.00 H new ATOM 8 N SER A 2 0.954 -26.324 14.243 1.00 0.00 N ATOM 9 CA SER A 2 2.264 -26.641 13.687 1.00 0.00 C ATOM 10 C SER A 2 2.608 -25.700 12.536 1.00 0.00 C ATOM 11 O SER A 2 3.722 -25.181 12.456 1.00 0.00 O ATOM 12 CB SER A 2 2.299 -28.092 13.201 1.00 0.00 C ATOM 13 OG SER A 2 3.552 -28.405 12.618 1.00 0.00 O ATOM 0 H SER A 2 0.241 -27.033 14.073 1.00 0.00 H new ATOM 0 HA SER A 2 3.006 -26.511 14.475 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.106 -28.764 14.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.505 -28.254 12.472 1.00 0.00 H new ATOM 0 HG SER A 2 3.549 -29.338 12.317 1.00 0.00 H new ATOM 19 N SER A 3 1.644 -25.484 11.648 1.00 0.00 N ATOM 20 CA SER A 3 1.844 -24.609 10.499 1.00 0.00 C ATOM 21 C SER A 3 0.544 -23.907 10.117 1.00 0.00 C ATOM 22 O SER A 3 -0.545 -24.363 10.463 1.00 0.00 O ATOM 23 CB SER A 3 2.374 -25.409 9.308 1.00 0.00 C ATOM 24 OG SER A 3 2.551 -24.578 8.173 1.00 0.00 O ATOM 0 H SER A 3 0.716 -25.903 11.702 1.00 0.00 H new ATOM 0 HA SER A 3 2.578 -23.852 10.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.323 -25.875 9.573 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.679 -26.214 9.068 1.00 0.00 H new ATOM 0 HG SER A 3 2.892 -25.113 7.426 1.00 0.00 H new ATOM 30 N GLY A 4 0.668 -22.794 9.401 1.00 0.00 N ATOM 31 CA GLY A 4 -0.504 -22.047 8.983 1.00 0.00 C ATOM 32 C GLY A 4 -1.269 -22.740 7.873 1.00 0.00 C ATOM 33 O GLY A 4 -1.196 -23.960 7.729 1.00 0.00 O ATOM 0 H GLY A 4 1.559 -22.396 9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.163 -21.903 9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.198 -21.057 8.646 1.00 0.00 H new ATOM 37 N SER A 5 -2.006 -21.961 7.089 1.00 0.00 N ATOM 38 CA SER A 5 -2.793 -22.509 5.990 1.00 0.00 C ATOM 39 C SER A 5 -3.167 -21.416 4.992 1.00 0.00 C ATOM 40 O SER A 5 -2.885 -20.238 5.211 1.00 0.00 O ATOM 41 CB SER A 5 -4.058 -23.181 6.526 1.00 0.00 C ATOM 42 OG SER A 5 -3.792 -24.507 6.948 1.00 0.00 O ATOM 0 H SER A 5 -2.075 -20.949 7.194 1.00 0.00 H new ATOM 0 HA SER A 5 -2.185 -23.254 5.476 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.455 -22.603 7.361 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.825 -23.190 5.751 1.00 0.00 H new ATOM 0 HG SER A 5 -2.851 -24.584 7.210 1.00 0.00 H new ATOM 48 N SER A 6 -3.805 -21.817 3.897 1.00 0.00 N ATOM 49 CA SER A 6 -4.215 -20.874 2.863 1.00 0.00 C ATOM 50 C SER A 6 -5.462 -20.106 3.292 1.00 0.00 C ATOM 51 O SER A 6 -6.567 -20.646 3.290 1.00 0.00 O ATOM 52 CB SER A 6 -4.482 -21.610 1.549 1.00 0.00 C ATOM 53 OG SER A 6 -5.529 -22.554 1.696 1.00 0.00 O ATOM 0 H SER A 6 -4.049 -22.788 3.703 1.00 0.00 H new ATOM 0 HA SER A 6 -3.404 -20.161 2.713 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.743 -20.891 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.574 -22.117 1.222 1.00 0.00 H new ATOM 0 HG SER A 6 -6.200 -22.204 2.319 1.00 0.00 H new ATOM 59 N GLY A 7 -5.274 -18.842 3.659 1.00 0.00 N ATOM 60 CA GLY A 7 -6.391 -18.020 4.086 1.00 0.00 C ATOM 61 C GLY A 7 -6.395 -17.780 5.583 1.00 0.00 C ATOM 62 O GLY A 7 -5.730 -18.492 6.335 1.00 0.00 O ATOM 0 H GLY A 7 -4.368 -18.373 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.352 -17.062 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.325 -18.502 3.796 1.00 0.00 H new ATOM 66 N ARG A 8 -7.146 -16.772 6.016 1.00 0.00 N ATOM 67 CA ARG A 8 -7.232 -16.438 7.433 1.00 0.00 C ATOM 68 C ARG A 8 -8.318 -15.395 7.680 1.00 0.00 C ATOM 69 O ARG A 8 -8.719 -14.674 6.767 1.00 0.00 O ATOM 70 CB ARG A 8 -5.885 -15.918 7.938 1.00 0.00 C ATOM 71 CG ARG A 8 -5.659 -16.155 9.423 1.00 0.00 C ATOM 72 CD ARG A 8 -5.378 -17.620 9.716 1.00 0.00 C ATOM 73 NE ARG A 8 -4.508 -17.789 10.876 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.204 -17.538 10.860 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.622 -17.108 9.748 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.478 -17.716 11.956 1.00 0.00 N ATOM 0 H ARG A 8 -7.703 -16.173 5.407 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.492 -17.344 7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.085 -16.400 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.818 -14.849 7.735 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.822 -15.547 9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.538 -15.833 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.319 -18.142 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.914 -18.081 8.844 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.925 -18.118 11.747 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.176 -16.970 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.620 -16.916 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.921 -18.046 12.813 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.477 -17.523 11.941 1.00 0.00 H new ATOM 90 N ARG A 9 -8.789 -15.322 8.921 1.00 0.00 N ATOM 91 CA ARG A 9 -9.830 -14.369 9.288 1.00 0.00 C ATOM 92 C ARG A 9 -9.232 -13.161 10.004 1.00 0.00 C ATOM 93 O ARG A 9 -9.948 -12.392 10.644 1.00 0.00 O ATOM 94 CB ARG A 9 -10.873 -15.041 10.183 1.00 0.00 C ATOM 95 CG ARG A 9 -10.358 -15.380 11.571 1.00 0.00 C ATOM 96 CD ARG A 9 -9.750 -16.773 11.615 1.00 0.00 C ATOM 97 NE ARG A 9 -9.842 -17.368 12.946 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.548 -18.638 13.205 1.00 0.00 C ATOM 99 NH1 ARG A 9 -9.147 -19.441 12.230 1.00 0.00 N ATOM 100 NH2 ARG A 9 -9.656 -19.106 14.442 1.00 0.00 N ATOM 0 H ARG A 9 -8.466 -15.911 9.689 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.313 -14.026 8.373 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.737 -14.383 10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.219 -15.955 9.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.611 -14.646 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.175 -15.316 12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.259 -17.414 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.704 -16.722 11.312 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.149 -16.777 13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.063 -19.085 11.278 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -8.922 -20.415 12.432 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.965 -18.491 15.195 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -9.430 -20.081 14.640 1.00 0.00 H new ATOM 114 N GLU A 10 -7.917 -13.003 9.889 1.00 0.00 N ATOM 115 CA GLU A 10 -7.225 -11.889 10.527 1.00 0.00 C ATOM 116 C GLU A 10 -7.704 -10.555 9.962 1.00 0.00 C ATOM 117 O GLU A 10 -8.237 -10.493 8.855 1.00 0.00 O ATOM 118 CB GLU A 10 -5.713 -12.023 10.335 1.00 0.00 C ATOM 119 CG GLU A 10 -5.057 -12.982 11.315 1.00 0.00 C ATOM 120 CD GLU A 10 -4.649 -12.306 12.609 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.638 -11.573 12.603 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.342 -12.509 13.628 1.00 0.00 O ATOM 0 H GLU A 10 -7.311 -13.631 9.361 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.453 -11.915 11.593 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.513 -12.362 9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.254 -11.040 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.746 -13.797 11.537 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.178 -13.427 10.849 1.00 0.00 H new ATOM 129 N ASN A 11 -7.511 -9.489 10.732 1.00 0.00 N ATOM 130 CA ASN A 11 -7.924 -8.156 10.310 1.00 0.00 C ATOM 131 C ASN A 11 -7.267 -7.776 8.986 1.00 0.00 C ATOM 132 O ASN A 11 -6.504 -8.555 8.413 1.00 0.00 O ATOM 133 CB ASN A 11 -7.568 -7.125 11.383 1.00 0.00 C ATOM 134 CG ASN A 11 -7.707 -7.681 12.787 1.00 0.00 C ATOM 135 OD1 ASN A 11 -6.740 -8.171 13.371 1.00 0.00 O ATOM 136 ND2 ASN A 11 -8.914 -7.607 13.336 1.00 0.00 N ATOM 0 H ASN A 11 -7.071 -9.523 11.652 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.005 -8.166 10.169 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -6.544 -6.784 11.230 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.214 -6.254 11.274 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.068 -7.965 14.279 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.687 -7.193 12.815 1.00 0.00 H new ATOM 143 N HIS A 12 -7.567 -6.574 8.506 1.00 0.00 N ATOM 144 CA HIS A 12 -7.005 -6.090 7.250 1.00 0.00 C ATOM 145 C HIS A 12 -6.538 -4.643 7.385 1.00 0.00 C ATOM 146 O HIS A 12 -7.065 -3.886 8.200 1.00 0.00 O ATOM 147 CB HIS A 12 -8.036 -6.202 6.127 1.00 0.00 C ATOM 148 CG HIS A 12 -8.344 -7.615 5.736 1.00 0.00 C ATOM 149 ND1 HIS A 12 -7.656 -8.289 4.748 1.00 0.00 N ATOM 150 CD2 HIS A 12 -9.270 -8.482 6.206 1.00 0.00 C ATOM 151 CE1 HIS A 12 -8.148 -9.509 4.627 1.00 0.00 C ATOM 152 NE2 HIS A 12 -9.128 -9.652 5.501 1.00 0.00 N ATOM 0 H HIS A 12 -8.196 -5.917 8.967 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.143 -6.711 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.957 -5.711 6.440 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.669 -5.663 5.253 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.988 -8.290 6.990 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -7.807 -10.262 3.932 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.688 -10.494 5.631 1.00 0.00 H new ATOM 161 N GLN A 13 -5.548 -4.269 6.583 1.00 0.00 N ATOM 162 CA GLN A 13 -5.010 -2.913 6.615 1.00 0.00 C ATOM 163 C GLN A 13 -5.347 -2.164 5.330 1.00 0.00 C ATOM 164 O GLN A 13 -5.429 -2.757 4.255 1.00 0.00 O ATOM 165 CB GLN A 13 -3.494 -2.948 6.817 1.00 0.00 C ATOM 166 CG GLN A 13 -2.841 -1.577 6.758 1.00 0.00 C ATOM 167 CD GLN A 13 -3.195 -0.710 7.951 1.00 0.00 C ATOM 168 OE1 GLN A 13 -3.811 0.346 7.805 1.00 0.00 O ATOM 169 NE2 GLN A 13 -2.806 -1.153 9.141 1.00 0.00 N ATOM 0 H GLN A 13 -5.101 -4.884 5.903 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.469 -2.386 7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.275 -3.404 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.049 -3.587 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.759 -1.696 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.148 -1.072 5.842 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.298 -2.034 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.016 -0.612 9.980 1.00 0.00 H new ATOM 178 N THR A 14 -5.543 -0.854 5.449 1.00 0.00 N ATOM 179 CA THR A 14 -5.872 -0.023 4.298 1.00 0.00 C ATOM 180 C THR A 14 -4.647 0.731 3.795 1.00 0.00 C ATOM 181 O THR A 14 -3.759 1.081 4.573 1.00 0.00 O ATOM 182 CB THR A 14 -6.981 0.991 4.637 1.00 0.00 C ATOM 183 OG1 THR A 14 -7.434 1.639 3.443 1.00 0.00 O ATOM 184 CG2 THR A 14 -6.478 2.033 5.625 1.00 0.00 C ATOM 0 H THR A 14 -5.479 -0.346 6.331 1.00 0.00 H new ATOM 0 HA THR A 14 -6.228 -0.693 3.516 1.00 0.00 H new ATOM 0 HB THR A 14 -7.810 0.450 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.050 2.364 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.278 2.738 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.161 1.540 6.544 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.634 2.569 5.191 1.00 0.00 H new ATOM 192 N ILE A 15 -4.605 0.978 2.490 1.00 0.00 N ATOM 193 CA ILE A 15 -3.488 1.692 1.884 1.00 0.00 C ATOM 194 C ILE A 15 -3.398 3.121 2.411 1.00 0.00 C ATOM 195 O ILE A 15 -2.305 3.643 2.632 1.00 0.00 O ATOM 196 CB ILE A 15 -3.609 1.730 0.350 1.00 0.00 C ATOM 197 CG1 ILE A 15 -2.956 0.491 -0.266 1.00 0.00 C ATOM 198 CG2 ILE A 15 -2.976 2.998 -0.201 1.00 0.00 C ATOM 199 CD1 ILE A 15 -3.764 -0.775 -0.079 1.00 0.00 C ATOM 0 H ILE A 15 -5.331 0.694 1.832 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.583 1.149 2.155 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.666 1.731 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.805 0.662 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.970 0.352 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.070 3.009 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.482 3.868 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.921 3.026 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.241 -1.612 -0.541 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.893 -0.970 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.741 -0.655 -0.547 1.00 0.00 H new ATOM 211 N GLN A 16 -4.553 3.746 2.611 1.00 0.00 N ATOM 212 CA GLN A 16 -4.605 5.114 3.113 1.00 0.00 C ATOM 213 C GLN A 16 -3.802 5.250 4.402 1.00 0.00 C ATOM 214 O GLN A 16 -2.896 6.078 4.495 1.00 0.00 O ATOM 215 CB GLN A 16 -6.055 5.537 3.354 1.00 0.00 C ATOM 216 CG GLN A 16 -6.938 5.407 2.123 1.00 0.00 C ATOM 217 CD GLN A 16 -7.560 4.031 1.994 1.00 0.00 C ATOM 218 OE1 GLN A 16 -8.595 3.745 2.598 1.00 0.00 O ATOM 219 NE2 GLN A 16 -6.932 3.169 1.204 1.00 0.00 N ATOM 0 H GLN A 16 -5.466 3.327 2.433 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.164 5.768 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.473 4.930 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.071 6.572 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.728 6.156 2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.347 5.619 1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.077 3.448 0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.304 2.228 1.078 1.00 0.00 H new ATOM 228 N GLU A 17 -4.142 4.434 5.395 1.00 0.00 N ATOM 229 CA GLU A 17 -3.452 4.466 6.679 1.00 0.00 C ATOM 230 C GLU A 17 -2.060 3.851 6.565 1.00 0.00 C ATOM 231 O GLU A 17 -1.121 4.286 7.232 1.00 0.00 O ATOM 232 CB GLU A 17 -4.266 3.719 7.739 1.00 0.00 C ATOM 233 CG GLU A 17 -5.625 4.342 8.012 1.00 0.00 C ATOM 234 CD GLU A 17 -6.461 3.517 8.972 1.00 0.00 C ATOM 235 OE1 GLU A 17 -6.030 3.333 10.129 1.00 0.00 O ATOM 236 OE2 GLU A 17 -7.548 3.056 8.564 1.00 0.00 O ATOM 0 H GLU A 17 -4.890 3.743 5.335 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.346 5.508 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.407 2.687 7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.696 3.688 8.668 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.486 5.342 8.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.164 4.456 7.072 1.00 0.00 H new ATOM 243 N PHE A 18 -1.935 2.837 5.716 1.00 0.00 N ATOM 244 CA PHE A 18 -0.659 2.161 5.515 1.00 0.00 C ATOM 245 C PHE A 18 0.376 3.116 4.928 1.00 0.00 C ATOM 246 O PHE A 18 1.577 2.967 5.158 1.00 0.00 O ATOM 247 CB PHE A 18 -0.837 0.954 4.592 1.00 0.00 C ATOM 248 CG PHE A 18 0.389 0.627 3.788 1.00 0.00 C ATOM 249 CD1 PHE A 18 1.488 0.033 4.387 1.00 0.00 C ATOM 250 CD2 PHE A 18 0.444 0.916 2.434 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.618 -0.269 3.651 1.00 0.00 C ATOM 252 CE2 PHE A 18 1.571 0.616 1.693 1.00 0.00 C ATOM 253 CZ PHE A 18 2.660 0.024 2.302 1.00 0.00 C ATOM 0 H PHE A 18 -2.702 2.465 5.156 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.301 1.818 6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.111 0.086 5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.667 1.146 3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.461 -0.197 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.404 1.381 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.467 -0.734 4.130 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.600 0.844 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.542 -0.209 1.725 1.00 0.00 H new ATOM 263 N LEU A 19 -0.098 4.098 4.168 1.00 0.00 N ATOM 264 CA LEU A 19 0.786 5.078 3.547 1.00 0.00 C ATOM 265 C LEU A 19 1.063 6.240 4.496 1.00 0.00 C ATOM 266 O LEU A 19 2.201 6.692 4.622 1.00 0.00 O ATOM 267 CB LEU A 19 0.167 5.602 2.249 1.00 0.00 C ATOM 268 CG LEU A 19 0.076 4.600 1.097 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.680 5.203 -0.076 1.00 0.00 C ATOM 270 CD2 LEU A 19 1.466 4.156 0.666 1.00 0.00 C ATOM 0 H LEU A 19 -1.088 4.236 3.967 1.00 0.00 H new ATOM 0 HA LEU A 19 1.731 4.585 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.837 5.964 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.749 6.460 1.913 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.472 3.724 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.735 4.476 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.688 5.471 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.160 6.095 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.382 3.443 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.039 5.023 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.974 3.683 1.507 1.00 0.00 H new ATOM 282 N GLU A 20 0.016 6.717 5.162 1.00 0.00 N ATOM 283 CA GLU A 20 0.148 7.825 6.100 1.00 0.00 C ATOM 284 C GLU A 20 1.321 7.596 7.050 1.00 0.00 C ATOM 285 O GLU A 20 2.026 8.535 7.420 1.00 0.00 O ATOM 286 CB GLU A 20 -1.144 8.001 6.901 1.00 0.00 C ATOM 287 CG GLU A 20 -2.262 8.663 6.114 1.00 0.00 C ATOM 288 CD GLU A 20 -2.247 10.174 6.236 1.00 0.00 C ATOM 289 OE1 GLU A 20 -1.147 10.747 6.380 1.00 0.00 O ATOM 290 OE2 GLU A 20 -3.336 10.783 6.188 1.00 0.00 O ATOM 0 H GLU A 20 -0.932 6.353 5.069 1.00 0.00 H new ATOM 0 HA GLU A 20 0.338 8.732 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.483 7.024 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.933 8.598 7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.174 8.386 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.222 8.284 6.465 1.00 0.00 H new ATOM 297 N ARG A 21 1.523 6.342 7.440 1.00 0.00 N ATOM 298 CA ARG A 21 2.608 5.990 8.347 1.00 0.00 C ATOM 299 C ARG A 21 3.964 6.183 7.674 1.00 0.00 C ATOM 300 O ARG A 21 4.897 6.714 8.278 1.00 0.00 O ATOM 301 CB ARG A 21 2.461 4.540 8.814 1.00 0.00 C ATOM 302 CG ARG A 21 3.182 3.538 7.928 1.00 0.00 C ATOM 303 CD ARG A 21 3.087 2.128 8.489 1.00 0.00 C ATOM 304 NE ARG A 21 1.702 1.696 8.650 1.00 0.00 N ATOM 305 CZ ARG A 21 1.350 0.573 9.266 1.00 0.00 C ATOM 306 NH1 ARG A 21 2.277 -0.227 9.776 1.00 0.00 N ATOM 307 NH2 ARG A 21 0.068 0.247 9.373 1.00 0.00 N ATOM 0 H ARG A 21 0.949 5.553 7.142 1.00 0.00 H new ATOM 0 HA ARG A 21 2.553 6.651 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.844 4.454 9.831 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.402 4.284 8.850 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.753 3.562 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.230 3.823 7.833 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.607 1.438 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.594 2.086 9.453 1.00 0.00 H new ATOM 0 HE ARG A 21 0.964 2.289 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.264 0.019 9.696 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.003 -1.089 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.648 0.859 8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.201 -0.616 9.846 1.00 0.00 H new ATOM 321 N ILE A 22 4.065 5.749 6.423 1.00 0.00 N ATOM 322 CA ILE A 22 5.306 5.875 5.668 1.00 0.00 C ATOM 323 C ILE A 22 5.376 7.216 4.945 1.00 0.00 C ATOM 324 O ILE A 22 6.327 7.490 4.214 1.00 0.00 O ATOM 325 CB ILE A 22 5.456 4.740 4.638 1.00 0.00 C ATOM 326 CG1 ILE A 22 4.121 4.477 3.938 1.00 0.00 C ATOM 327 CG2 ILE A 22 5.964 3.475 5.313 1.00 0.00 C ATOM 328 CD1 ILE A 22 4.238 3.570 2.734 1.00 0.00 C ATOM 0 H ILE A 22 3.302 5.307 5.910 1.00 0.00 H new ATOM 0 HA ILE A 22 6.122 5.811 6.388 1.00 0.00 H new ATOM 0 HB ILE A 22 6.185 5.045 3.887 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.427 4.032 4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.690 5.428 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.065 2.682 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.934 3.671 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.257 3.164 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.253 3.428 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.906 4.022 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.639 2.605 3.043 1.00 0.00 H new ATOM 340 N HIS A 23 4.362 8.050 5.156 1.00 0.00 N ATOM 341 CA HIS A 23 4.309 9.364 4.526 1.00 0.00 C ATOM 342 C HIS A 23 4.317 9.239 3.006 1.00 0.00 C ATOM 343 O HIS A 23 5.009 9.987 2.314 1.00 0.00 O ATOM 344 CB HIS A 23 5.490 10.220 4.985 1.00 0.00 C ATOM 345 CG HIS A 23 5.201 11.031 6.211 1.00 0.00 C ATOM 346 ND1 HIS A 23 5.060 12.402 6.191 1.00 0.00 N ATOM 347 CD2 HIS A 23 5.025 10.655 7.500 1.00 0.00 C ATOM 348 CE1 HIS A 23 4.812 12.835 7.414 1.00 0.00 C ATOM 349 NE2 HIS A 23 4.785 11.794 8.227 1.00 0.00 N ATOM 0 H HIS A 23 3.566 7.839 5.758 1.00 0.00 H new ATOM 0 HA HIS A 23 3.380 9.847 4.828 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.344 9.571 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.779 10.890 4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.066 9.647 7.884 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.658 13.865 7.701 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.614 11.831 9.232 1.00 0.00 H new ATOM 358 N LEU A 24 3.545 8.288 2.492 1.00 0.00 N ATOM 359 CA LEU A 24 3.463 8.064 1.053 1.00 0.00 C ATOM 360 C LEU A 24 2.015 8.108 0.576 1.00 0.00 C ATOM 361 O LEU A 24 1.678 7.550 -0.468 1.00 0.00 O ATOM 362 CB LEU A 24 4.090 6.716 0.690 1.00 0.00 C ATOM 363 CG LEU A 24 5.616 6.691 0.591 1.00 0.00 C ATOM 364 CD1 LEU A 24 6.085 5.421 -0.102 1.00 0.00 C ATOM 365 CD2 LEU A 24 6.123 7.922 -0.148 1.00 0.00 C ATOM 0 H LEU A 24 2.967 7.660 3.050 1.00 0.00 H new ATOM 0 HA LEU A 24 4.015 8.861 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.782 5.982 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.678 6.392 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 24 6.027 6.703 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.173 5.421 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.753 4.552 0.467 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.665 5.378 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.211 7.887 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.704 7.941 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.818 8.820 0.389 1.00 0.00 H new ATOM 377 N GLN A 25 1.164 8.778 1.347 1.00 0.00 N ATOM 378 CA GLN A 25 -0.248 8.896 1.001 1.00 0.00 C ATOM 379 C GLN A 25 -0.425 9.630 -0.324 1.00 0.00 C ATOM 380 O GLN A 25 -1.502 9.608 -0.917 1.00 0.00 O ATOM 381 CB GLN A 25 -1.006 9.630 2.109 1.00 0.00 C ATOM 382 CG GLN A 25 -0.645 11.102 2.221 1.00 0.00 C ATOM 383 CD GLN A 25 0.812 11.320 2.578 1.00 0.00 C ATOM 384 OE1 GLN A 25 1.614 11.731 1.738 1.00 0.00 O ATOM 385 NE2 GLN A 25 1.163 11.046 3.829 1.00 0.00 N ATOM 0 H GLN A 25 1.427 9.247 2.214 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.655 7.891 0.895 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.077 9.540 1.926 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.803 9.141 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.861 11.598 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.275 11.570 2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.466 10.708 4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.130 11.174 4.127 1.00 0.00 H new ATOM 394 N GLU A 26 0.641 10.280 -0.781 1.00 0.00 N ATOM 395 CA GLU A 26 0.602 11.022 -2.036 1.00 0.00 C ATOM 396 C GLU A 26 0.443 10.075 -3.223 1.00 0.00 C ATOM 397 O GLU A 26 0.194 10.509 -4.348 1.00 0.00 O ATOM 398 CB GLU A 26 1.874 11.855 -2.202 1.00 0.00 C ATOM 399 CG GLU A 26 3.143 11.022 -2.269 1.00 0.00 C ATOM 400 CD GLU A 26 4.353 11.835 -2.687 1.00 0.00 C ATOM 401 OE1 GLU A 26 4.541 12.036 -3.905 1.00 0.00 O ATOM 402 OE2 GLU A 26 5.112 12.270 -1.796 1.00 0.00 O ATOM 0 H GLU A 26 1.541 10.308 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.259 11.689 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.792 12.451 -3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.952 12.554 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.331 10.573 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.999 10.203 -2.974 1.00 0.00 H new ATOM 409 N TYR A 27 0.589 8.781 -2.963 1.00 0.00 N ATOM 410 CA TYR A 27 0.465 7.773 -4.009 1.00 0.00 C ATOM 411 C TYR A 27 -0.835 6.989 -3.859 1.00 0.00 C ATOM 412 O TYR A 27 -1.140 6.107 -4.663 1.00 0.00 O ATOM 413 CB TYR A 27 1.658 6.816 -3.969 1.00 0.00 C ATOM 414 CG TYR A 27 2.968 7.466 -4.351 1.00 0.00 C ATOM 415 CD1 TYR A 27 3.368 7.541 -5.680 1.00 0.00 C ATOM 416 CD2 TYR A 27 3.807 8.007 -3.384 1.00 0.00 C ATOM 417 CE1 TYR A 27 4.565 8.133 -6.033 1.00 0.00 C ATOM 418 CE2 TYR A 27 5.005 8.602 -3.728 1.00 0.00 C ATOM 419 CZ TYR A 27 5.379 8.663 -5.054 1.00 0.00 C ATOM 420 OH TYR A 27 6.572 9.255 -5.403 1.00 0.00 O ATOM 0 H TYR A 27 0.793 8.405 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 27 0.451 8.285 -4.971 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.747 6.401 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.466 5.981 -4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.732 7.129 -6.450 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.517 7.961 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.862 8.181 -7.070 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.645 9.017 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 27 6.909 9.781 -4.648 1.00 0.00 H new ATOM 430 N THR A 28 -1.600 7.316 -2.821 1.00 0.00 N ATOM 431 CA THR A 28 -2.867 6.644 -2.563 1.00 0.00 C ATOM 432 C THR A 28 -3.686 6.505 -3.841 1.00 0.00 C ATOM 433 O THR A 28 -3.848 5.405 -4.369 1.00 0.00 O ATOM 434 CB THR A 28 -3.700 7.402 -1.513 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.970 7.500 -0.285 1.00 0.00 O ATOM 436 CG2 THR A 28 -5.026 6.698 -1.265 1.00 0.00 C ATOM 0 H THR A 28 -1.363 8.043 -2.146 1.00 0.00 H new ATOM 0 HA THR A 28 -2.627 5.652 -2.179 1.00 0.00 H new ATOM 0 HB THR A 28 -3.902 8.403 -1.895 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.611 8.407 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.598 7.251 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.592 6.651 -2.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.839 5.687 -0.902 1.00 0.00 H new ATOM 444 N SER A 29 -4.199 7.628 -4.335 1.00 0.00 N ATOM 445 CA SER A 29 -5.004 7.630 -5.551 1.00 0.00 C ATOM 446 C SER A 29 -4.385 6.728 -6.614 1.00 0.00 C ATOM 447 O SER A 29 -5.060 5.875 -7.192 1.00 0.00 O ATOM 448 CB SER A 29 -5.145 9.054 -6.092 1.00 0.00 C ATOM 449 OG SER A 29 -3.875 9.633 -6.339 1.00 0.00 O ATOM 0 H SER A 29 -4.071 8.547 -3.912 1.00 0.00 H new ATOM 0 HA SER A 29 -5.993 7.244 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.728 9.041 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.694 9.666 -5.376 1.00 0.00 H new ATOM 0 HG SER A 29 -3.992 10.542 -6.686 1.00 0.00 H new ATOM 455 N THR A 30 -3.095 6.923 -6.869 1.00 0.00 N ATOM 456 CA THR A 30 -2.383 6.130 -7.863 1.00 0.00 C ATOM 457 C THR A 30 -2.551 4.638 -7.599 1.00 0.00 C ATOM 458 O THR A 30 -2.587 3.833 -8.530 1.00 0.00 O ATOM 459 CB THR A 30 -0.881 6.471 -7.883 1.00 0.00 C ATOM 460 OG1 THR A 30 -0.686 7.796 -8.389 1.00 0.00 O ATOM 461 CG2 THR A 30 -0.112 5.477 -8.740 1.00 0.00 C ATOM 0 H THR A 30 -2.522 7.624 -6.400 1.00 0.00 H new ATOM 0 HA THR A 30 -2.816 6.375 -8.833 1.00 0.00 H new ATOM 0 HB THR A 30 -0.504 6.414 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.271 8.006 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.946 5.738 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.238 4.473 -8.335 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.492 5.507 -9.761 1.00 0.00 H new ATOM 469 N LEU A 31 -2.654 4.276 -6.325 1.00 0.00 N ATOM 470 CA LEU A 31 -2.819 2.879 -5.938 1.00 0.00 C ATOM 471 C LEU A 31 -4.280 2.453 -6.047 1.00 0.00 C ATOM 472 O LEU A 31 -4.593 1.419 -6.638 1.00 0.00 O ATOM 473 CB LEU A 31 -2.318 2.663 -4.509 1.00 0.00 C ATOM 474 CG LEU A 31 -0.810 2.802 -4.298 1.00 0.00 C ATOM 475 CD1 LEU A 31 -0.511 3.303 -2.894 1.00 0.00 C ATOM 476 CD2 LEU A 31 -0.111 1.475 -4.553 1.00 0.00 C ATOM 0 H LEU A 31 -2.626 4.930 -5.543 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.229 2.266 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.823 3.375 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.619 1.666 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.429 3.533 -5.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.567 3.396 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.979 4.276 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.906 2.597 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.961 1.593 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.496 0.723 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.297 1.157 -5.579 1.00 0.00 H new ATOM 488 N LEU A 32 -5.169 3.257 -5.475 1.00 0.00 N ATOM 489 CA LEU A 32 -6.598 2.965 -5.509 1.00 0.00 C ATOM 490 C LEU A 32 -7.109 2.914 -6.946 1.00 0.00 C ATOM 491 O LEU A 32 -7.612 1.886 -7.401 1.00 0.00 O ATOM 492 CB LEU A 32 -7.373 4.019 -4.717 1.00 0.00 C ATOM 493 CG LEU A 32 -6.862 4.308 -3.306 1.00 0.00 C ATOM 494 CD1 LEU A 32 -7.577 5.514 -2.716 1.00 0.00 C ATOM 495 CD2 LEU A 32 -7.043 3.089 -2.413 1.00 0.00 C ATOM 0 H LEU A 32 -4.926 4.116 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.755 1.988 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.363 4.950 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.413 3.700 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.798 4.535 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.200 5.705 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.396 6.387 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.648 5.316 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.674 3.313 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.101 2.831 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.485 2.249 -2.826 1.00 0.00 H new ATOM 507 N LEU A 33 -6.975 4.029 -7.655 1.00 0.00 N ATOM 508 CA LEU A 33 -7.421 4.111 -9.042 1.00 0.00 C ATOM 509 C LEU A 33 -6.987 2.879 -9.828 1.00 0.00 C ATOM 510 O LEU A 33 -7.700 2.414 -10.716 1.00 0.00 O ATOM 511 CB LEU A 33 -6.865 5.374 -9.703 1.00 0.00 C ATOM 512 CG LEU A 33 -7.738 6.625 -9.600 1.00 0.00 C ATOM 513 CD1 LEU A 33 -7.870 7.067 -8.151 1.00 0.00 C ATOM 514 CD2 LEU A 33 -7.162 7.748 -10.451 1.00 0.00 C ATOM 0 H LEU A 33 -6.562 4.888 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.510 4.155 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.894 5.595 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.692 5.162 -10.758 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.732 6.383 -9.976 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.495 7.959 -8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.327 6.268 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.883 7.291 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.796 8.631 -10.366 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.157 7.988 -10.104 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.120 7.430 -11.493 1.00 0.00 H new ATOM 526 N ASN A 34 -5.813 2.353 -9.493 1.00 0.00 N ATOM 527 CA ASN A 34 -5.284 1.172 -10.166 1.00 0.00 C ATOM 528 C ASN A 34 -6.016 -0.087 -9.712 1.00 0.00 C ATOM 529 O ASN A 34 -6.200 -1.025 -10.487 1.00 0.00 O ATOM 530 CB ASN A 34 -3.785 1.031 -9.892 1.00 0.00 C ATOM 531 CG ASN A 34 -2.939 1.753 -10.922 1.00 0.00 C ATOM 532 OD1 ASN A 34 -2.303 1.126 -11.769 1.00 0.00 O ATOM 533 ND2 ASN A 34 -2.926 3.079 -10.853 1.00 0.00 N ATOM 0 H ASN A 34 -5.210 2.726 -8.760 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.440 1.295 -11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.561 1.425 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.518 -0.026 -9.883 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.373 3.619 -11.519 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.469 3.558 -10.134 1.00 0.00 H new ATOM 540 N GLY A 35 -6.433 -0.100 -8.449 1.00 0.00 N ATOM 541 CA GLY A 35 -7.140 -1.248 -7.914 1.00 0.00 C ATOM 542 C GLY A 35 -6.711 -1.585 -6.499 1.00 0.00 C ATOM 543 O GLY A 35 -7.437 -2.259 -5.767 1.00 0.00 O ATOM 0 H GLY A 35 -6.294 0.664 -7.788 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.212 -1.050 -7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.967 -2.110 -8.558 1.00 0.00 H new ATOM 547 N TYR A 36 -5.529 -1.118 -6.114 1.00 0.00 N ATOM 548 CA TYR A 36 -5.003 -1.378 -4.780 1.00 0.00 C ATOM 549 C TYR A 36 -5.764 -0.576 -3.728 1.00 0.00 C ATOM 550 O TYR A 36 -5.454 0.587 -3.475 1.00 0.00 O ATOM 551 CB TYR A 36 -3.513 -1.033 -4.720 1.00 0.00 C ATOM 552 CG TYR A 36 -2.660 -1.875 -5.641 1.00 0.00 C ATOM 553 CD1 TYR A 36 -2.251 -3.150 -5.271 1.00 0.00 C ATOM 554 CD2 TYR A 36 -2.263 -1.395 -6.884 1.00 0.00 C ATOM 555 CE1 TYR A 36 -1.471 -3.922 -6.109 1.00 0.00 C ATOM 556 CE2 TYR A 36 -1.483 -2.161 -7.729 1.00 0.00 C ATOM 557 CZ TYR A 36 -1.090 -3.424 -7.337 1.00 0.00 C ATOM 558 OH TYR A 36 -0.313 -4.190 -8.176 1.00 0.00 O ATOM 0 H TYR A 36 -4.917 -0.557 -6.707 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.133 -2.439 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.381 0.018 -4.976 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.160 -1.158 -3.696 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.548 -3.545 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.569 -0.407 -7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.161 -4.911 -5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.183 -1.773 -8.691 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.792 -4.341 -9.018 1.00 0.00 H new ATOM 568 N GLU A 37 -6.762 -1.209 -3.119 1.00 0.00 N ATOM 569 CA GLU A 37 -7.568 -0.555 -2.095 1.00 0.00 C ATOM 570 C GLU A 37 -7.032 -0.866 -0.700 1.00 0.00 C ATOM 571 O GLU A 37 -6.929 0.019 0.150 1.00 0.00 O ATOM 572 CB GLU A 37 -9.028 -1.000 -2.203 1.00 0.00 C ATOM 573 CG GLU A 37 -9.749 -0.432 -3.414 1.00 0.00 C ATOM 574 CD GLU A 37 -11.223 -0.787 -3.435 1.00 0.00 C ATOM 575 OE1 GLU A 37 -11.996 -0.153 -2.685 1.00 0.00 O ATOM 576 OE2 GLU A 37 -11.605 -1.697 -4.200 1.00 0.00 O ATOM 0 H GLU A 37 -7.031 -2.173 -3.317 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.511 0.522 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.065 -2.089 -2.246 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.559 -0.698 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.640 0.653 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.276 -0.806 -4.322 1.00 0.00 H new ATOM 583 N THR A 38 -6.693 -2.131 -0.471 1.00 0.00 N ATOM 584 CA THR A 38 -6.170 -2.560 0.820 1.00 0.00 C ATOM 585 C THR A 38 -4.950 -3.458 0.648 1.00 0.00 C ATOM 586 O THR A 38 -4.764 -4.075 -0.402 1.00 0.00 O ATOM 587 CB THR A 38 -7.237 -3.313 1.636 1.00 0.00 C ATOM 588 OG1 THR A 38 -7.673 -4.474 0.919 1.00 0.00 O ATOM 589 CG2 THR A 38 -8.429 -2.415 1.929 1.00 0.00 C ATOM 0 H THR A 38 -6.771 -2.876 -1.163 1.00 0.00 H new ATOM 0 HA THR A 38 -5.881 -1.658 1.359 1.00 0.00 H new ATOM 0 HB THR A 38 -6.790 -3.617 2.583 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.350 -4.948 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.169 -2.969 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.099 -1.547 2.500 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.874 -2.084 0.991 1.00 0.00 H new ATOM 597 N LEU A 39 -4.121 -3.527 1.684 1.00 0.00 N ATOM 598 CA LEU A 39 -2.918 -4.351 1.647 1.00 0.00 C ATOM 599 C LEU A 39 -3.166 -5.642 0.874 1.00 0.00 C ATOM 600 O LEU A 39 -2.324 -6.077 0.087 1.00 0.00 O ATOM 601 CB LEU A 39 -2.456 -4.676 3.069 1.00 0.00 C ATOM 602 CG LEU A 39 -1.531 -3.650 3.725 1.00 0.00 C ATOM 603 CD1 LEU A 39 -2.267 -2.338 3.953 1.00 0.00 C ATOM 604 CD2 LEU A 39 -0.980 -4.190 5.036 1.00 0.00 C ATOM 0 H LEU A 39 -4.260 -3.022 2.560 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.137 -3.788 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.338 -4.795 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.945 -5.638 3.052 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.694 -3.461 3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.594 -1.620 4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.612 -1.943 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.124 -2.510 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.324 -3.447 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.804 -4.408 5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.416 -5.103 4.845 1.00 0.00 H new ATOM 616 N ASP A 40 -4.326 -6.249 1.100 1.00 0.00 N ATOM 617 CA ASP A 40 -4.686 -7.488 0.422 1.00 0.00 C ATOM 618 C ASP A 40 -4.210 -7.473 -1.027 1.00 0.00 C ATOM 619 O ASP A 40 -3.607 -8.435 -1.503 1.00 0.00 O ATOM 620 CB ASP A 40 -6.200 -7.701 0.472 1.00 0.00 C ATOM 621 CG ASP A 40 -6.630 -8.971 -0.236 1.00 0.00 C ATOM 622 OD1 ASP A 40 -6.738 -8.948 -1.479 1.00 0.00 O ATOM 623 OD2 ASP A 40 -6.859 -9.987 0.454 1.00 0.00 O ATOM 0 H ASP A 40 -5.033 -5.902 1.748 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.194 -8.312 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.524 -7.741 1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.699 -6.847 0.015 1.00 0.00 H new ATOM 628 N ASP A 41 -4.486 -6.376 -1.723 1.00 0.00 N ATOM 629 CA ASP A 41 -4.086 -6.235 -3.119 1.00 0.00 C ATOM 630 C ASP A 41 -2.585 -5.983 -3.231 1.00 0.00 C ATOM 631 O ASP A 41 -1.933 -6.459 -4.161 1.00 0.00 O ATOM 632 CB ASP A 41 -4.858 -5.092 -3.780 1.00 0.00 C ATOM 633 CG ASP A 41 -6.148 -5.562 -4.423 1.00 0.00 C ATOM 634 OD1 ASP A 41 -6.821 -6.433 -3.835 1.00 0.00 O ATOM 635 OD2 ASP A 41 -6.484 -5.058 -5.516 1.00 0.00 O ATOM 0 H ASP A 41 -4.985 -5.571 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.320 -7.167 -3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.084 -4.330 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.229 -4.621 -4.536 1.00 0.00 H new ATOM 640 N LEU A 42 -2.044 -5.230 -2.279 1.00 0.00 N ATOM 641 CA LEU A 42 -0.620 -4.914 -2.272 1.00 0.00 C ATOM 642 C LEU A 42 0.221 -6.186 -2.245 1.00 0.00 C ATOM 643 O LEU A 42 1.341 -6.214 -2.756 1.00 0.00 O ATOM 644 CB LEU A 42 -0.279 -4.038 -1.064 1.00 0.00 C ATOM 645 CG LEU A 42 -0.596 -2.549 -1.204 1.00 0.00 C ATOM 646 CD1 LEU A 42 -0.334 -1.822 0.106 1.00 0.00 C ATOM 647 CD2 LEU A 42 0.222 -1.933 -2.331 1.00 0.00 C ATOM 0 H LEU A 42 -2.569 -4.827 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.390 -4.368 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.816 -4.424 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.785 -4.144 -0.852 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.653 -2.444 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.565 -0.763 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.963 -2.245 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.714 -1.936 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.017 -0.873 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.284 -2.050 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.015 -2.435 -3.269 1.00 0.00 H new ATOM 659 N LYS A 43 -0.328 -7.239 -1.648 1.00 0.00 N ATOM 660 CA LYS A 43 0.369 -8.517 -1.558 1.00 0.00 C ATOM 661 C LYS A 43 0.698 -9.057 -2.946 1.00 0.00 C ATOM 662 O LYS A 43 1.457 -10.015 -3.085 1.00 0.00 O ATOM 663 CB LYS A 43 -0.482 -9.532 -0.792 1.00 0.00 C ATOM 664 CG LYS A 43 -1.491 -10.260 -1.663 1.00 0.00 C ATOM 665 CD LYS A 43 -2.642 -10.814 -0.840 1.00 0.00 C ATOM 666 CE LYS A 43 -2.217 -12.038 -0.043 1.00 0.00 C ATOM 667 NZ LYS A 43 -3.354 -12.973 0.186 1.00 0.00 N ATOM 0 H LYS A 43 -1.254 -7.232 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 43 1.303 -8.356 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.175 -10.264 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.011 -9.018 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.879 -9.578 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.996 -11.074 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.008 -10.045 -0.160 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.469 -11.077 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.420 -12.558 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.807 -11.722 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.024 -13.794 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.104 -12.484 0.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.729 -13.294 -0.729 1.00 0.00 H new ATOM 681 N ASP A 44 0.122 -8.435 -3.969 1.00 0.00 N ATOM 682 CA ASP A 44 0.356 -8.852 -5.347 1.00 0.00 C ATOM 683 C ASP A 44 1.222 -7.835 -6.082 1.00 0.00 C ATOM 684 O ASP A 44 1.706 -8.099 -7.184 1.00 0.00 O ATOM 685 CB ASP A 44 -0.974 -9.033 -6.080 1.00 0.00 C ATOM 686 CG ASP A 44 -0.846 -9.923 -7.300 1.00 0.00 C ATOM 687 OD1 ASP A 44 0.114 -9.732 -8.076 1.00 0.00 O ATOM 688 OD2 ASP A 44 -1.705 -10.812 -7.479 1.00 0.00 O ATOM 0 H ASP A 44 -0.510 -7.641 -3.870 1.00 0.00 H new ATOM 0 HA ASP A 44 0.884 -9.805 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.707 -9.462 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.354 -8.058 -6.384 1.00 0.00 H new ATOM 693 N ILE A 45 1.413 -6.673 -5.467 1.00 0.00 N ATOM 694 CA ILE A 45 2.221 -5.617 -6.064 1.00 0.00 C ATOM 695 C ILE A 45 3.708 -5.939 -5.965 1.00 0.00 C ATOM 696 O ILE A 45 4.152 -6.588 -5.018 1.00 0.00 O ATOM 697 CB ILE A 45 1.956 -4.257 -5.391 1.00 0.00 C ATOM 698 CG1 ILE A 45 2.548 -3.123 -6.232 1.00 0.00 C ATOM 699 CG2 ILE A 45 2.537 -4.240 -3.985 1.00 0.00 C ATOM 700 CD1 ILE A 45 1.817 -1.809 -6.074 1.00 0.00 C ATOM 0 H ILE A 45 1.019 -6.439 -4.556 1.00 0.00 H new ATOM 0 HA ILE A 45 1.934 -5.556 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 45 0.879 -4.107 -5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.593 -2.984 -5.955 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.532 -3.414 -7.282 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.342 -3.273 -3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.073 -5.027 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.613 -4.408 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.291 -1.052 -6.698 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.778 -1.932 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.855 -1.495 -5.031 1.00 0.00 H new ATOM 712 N LYS A 46 4.474 -5.481 -6.949 1.00 0.00 N ATOM 713 CA LYS A 46 5.913 -5.717 -6.973 1.00 0.00 C ATOM 714 C LYS A 46 6.672 -4.423 -7.249 1.00 0.00 C ATOM 715 O LYS A 46 6.073 -3.355 -7.369 1.00 0.00 O ATOM 716 CB LYS A 46 6.261 -6.762 -8.036 1.00 0.00 C ATOM 717 CG LYS A 46 5.510 -8.071 -7.871 1.00 0.00 C ATOM 718 CD LYS A 46 6.254 -9.030 -6.956 1.00 0.00 C ATOM 719 CE LYS A 46 7.286 -9.843 -7.723 1.00 0.00 C ATOM 720 NZ LYS A 46 6.712 -11.112 -8.251 1.00 0.00 N ATOM 0 H LYS A 46 4.122 -4.944 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 46 6.212 -6.090 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.045 -6.351 -9.022 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.332 -6.961 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.518 -7.874 -7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.367 -8.535 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.748 -8.469 -6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.543 -9.702 -6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.675 -9.249 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.128 -10.070 -7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.447 -11.637 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.364 -11.691 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.924 -10.895 -8.895 1.00 0.00 H new ATOM 734 N GLU A 47 7.994 -4.528 -7.348 1.00 0.00 N ATOM 735 CA GLU A 47 8.833 -3.365 -7.611 1.00 0.00 C ATOM 736 C GLU A 47 8.483 -2.733 -8.955 1.00 0.00 C ATOM 737 O GLU A 47 8.285 -1.522 -9.051 1.00 0.00 O ATOM 738 CB GLU A 47 10.311 -3.760 -7.590 1.00 0.00 C ATOM 739 CG GLU A 47 11.251 -2.590 -7.358 1.00 0.00 C ATOM 740 CD GLU A 47 12.711 -2.978 -7.494 1.00 0.00 C ATOM 741 OE1 GLU A 47 13.065 -3.607 -8.513 1.00 0.00 O ATOM 742 OE2 GLU A 47 13.499 -2.653 -6.581 1.00 0.00 O ATOM 0 H GLU A 47 8.506 -5.405 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 47 8.649 -2.632 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.469 -4.502 -6.808 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.564 -4.236 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.022 -1.798 -8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.079 -2.182 -6.362 1.00 0.00 H new ATOM 749 N SER A 48 8.411 -3.563 -9.991 1.00 0.00 N ATOM 750 CA SER A 48 8.089 -3.086 -11.331 1.00 0.00 C ATOM 751 C SER A 48 6.765 -2.329 -11.335 1.00 0.00 C ATOM 752 O SER A 48 6.638 -1.278 -11.965 1.00 0.00 O ATOM 753 CB SER A 48 8.022 -4.259 -12.311 1.00 0.00 C ATOM 754 OG SER A 48 7.010 -5.177 -11.938 1.00 0.00 O ATOM 0 H SER A 48 8.571 -4.568 -9.928 1.00 0.00 H new ATOM 0 HA SER A 48 8.878 -2.404 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.827 -3.886 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.986 -4.767 -12.341 1.00 0.00 H new ATOM 0 HG SER A 48 6.986 -5.916 -12.581 1.00 0.00 H new ATOM 760 N HIS A 49 5.778 -2.871 -10.627 1.00 0.00 N ATOM 761 CA HIS A 49 4.462 -2.247 -10.548 1.00 0.00 C ATOM 762 C HIS A 49 4.580 -0.778 -10.153 1.00 0.00 C ATOM 763 O HIS A 49 4.097 0.106 -10.861 1.00 0.00 O ATOM 764 CB HIS A 49 3.583 -2.990 -9.541 1.00 0.00 C ATOM 765 CG HIS A 49 3.027 -4.277 -10.067 1.00 0.00 C ATOM 766 ND1 HIS A 49 3.813 -5.370 -10.364 1.00 0.00 N ATOM 767 CD2 HIS A 49 1.754 -4.644 -10.345 1.00 0.00 C ATOM 768 CE1 HIS A 49 3.048 -6.353 -10.805 1.00 0.00 C ATOM 769 NE2 HIS A 49 1.794 -5.938 -10.803 1.00 0.00 N ATOM 0 H HIS A 49 5.865 -3.740 -10.100 1.00 0.00 H new ATOM 0 HA HIS A 49 4.000 -2.303 -11.534 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.167 -3.196 -8.644 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.758 -2.342 -9.243 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.871 -4.033 -10.228 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.390 -7.330 -11.114 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.987 -6.489 -11.094 1.00 0.00 H new ATOM 778 N LEU A 50 5.223 -0.526 -9.018 1.00 0.00 N ATOM 779 CA LEU A 50 5.403 0.836 -8.528 1.00 0.00 C ATOM 780 C LEU A 50 5.968 1.738 -9.621 1.00 0.00 C ATOM 781 O LEU A 50 5.459 2.833 -9.860 1.00 0.00 O ATOM 782 CB LEU A 50 6.333 0.843 -7.313 1.00 0.00 C ATOM 783 CG LEU A 50 5.909 -0.038 -6.138 1.00 0.00 C ATOM 784 CD1 LEU A 50 7.067 -0.235 -5.173 1.00 0.00 C ATOM 785 CD2 LEU A 50 4.712 0.569 -5.421 1.00 0.00 C ATOM 0 H LEU A 50 5.628 -1.246 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 50 4.427 1.222 -8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.325 0.528 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.425 1.869 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 50 5.618 -1.014 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.746 -0.865 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.896 -0.715 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.390 0.733 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.424 -0.072 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.976 1.557 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.877 0.657 -6.117 1.00 0.00 H new ATOM 797 N ILE A 51 7.022 1.269 -10.281 1.00 0.00 N ATOM 798 CA ILE A 51 7.653 2.032 -11.351 1.00 0.00 C ATOM 799 C ILE A 51 6.634 2.450 -12.404 1.00 0.00 C ATOM 800 O ILE A 51 6.590 3.609 -12.814 1.00 0.00 O ATOM 801 CB ILE A 51 8.776 1.225 -12.030 1.00 0.00 C ATOM 802 CG1 ILE A 51 9.828 0.806 -11.001 1.00 0.00 C ATOM 803 CG2 ILE A 51 9.413 2.040 -13.146 1.00 0.00 C ATOM 804 CD1 ILE A 51 10.861 -0.153 -11.550 1.00 0.00 C ATOM 0 H ILE A 51 7.456 0.365 -10.094 1.00 0.00 H new ATOM 0 HA ILE A 51 8.082 2.923 -10.893 1.00 0.00 H new ATOM 0 HB ILE A 51 8.343 0.324 -12.466 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.333 1.696 -10.627 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.328 0.342 -10.151 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.205 1.457 -13.616 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.657 2.292 -13.890 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.834 2.956 -12.732 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.575 -0.407 -10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.367 -1.060 -11.899 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.387 0.316 -12.382 1.00 0.00 H new ATOM 816 N GLU A 52 5.814 1.497 -12.838 1.00 0.00 N ATOM 817 CA GLU A 52 4.793 1.767 -13.843 1.00 0.00 C ATOM 818 C GLU A 52 3.708 2.683 -13.284 1.00 0.00 C ATOM 819 O GLU A 52 3.008 3.365 -14.034 1.00 0.00 O ATOM 820 CB GLU A 52 4.170 0.459 -14.334 1.00 0.00 C ATOM 821 CG GLU A 52 5.041 -0.296 -15.324 1.00 0.00 C ATOM 822 CD GLU A 52 4.248 -1.270 -16.174 1.00 0.00 C ATOM 823 OE1 GLU A 52 3.603 -2.172 -15.599 1.00 0.00 O ATOM 824 OE2 GLU A 52 4.273 -1.131 -17.415 1.00 0.00 O ATOM 0 H GLU A 52 5.837 0.532 -12.509 1.00 0.00 H new ATOM 0 HA GLU A 52 5.271 2.270 -14.683 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.970 -0.183 -13.476 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.209 0.677 -14.800 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.549 0.417 -15.973 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.814 -0.839 -14.781 1.00 0.00 H new ATOM 831 N LEU A 53 3.572 2.691 -11.963 1.00 0.00 N ATOM 832 CA LEU A 53 2.572 3.521 -11.301 1.00 0.00 C ATOM 833 C LEU A 53 3.090 4.942 -11.100 1.00 0.00 C ATOM 834 O LEU A 53 2.552 5.701 -10.295 1.00 0.00 O ATOM 835 CB LEU A 53 2.185 2.911 -9.953 1.00 0.00 C ATOM 836 CG LEU A 53 1.435 1.580 -10.009 1.00 0.00 C ATOM 837 CD1 LEU A 53 1.224 1.026 -8.608 1.00 0.00 C ATOM 838 CD2 LEU A 53 0.102 1.748 -10.724 1.00 0.00 C ATOM 0 H LEU A 53 4.142 2.132 -11.329 1.00 0.00 H new ATOM 0 HA LEU A 53 1.690 3.563 -11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.093 2.769 -9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.568 3.631 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 53 2.039 0.868 -10.572 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.689 0.078 -8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.191 0.867 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.641 1.735 -8.020 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.418 0.790 -10.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.509 2.476 -10.189 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.276 2.099 -11.741 1.00 0.00 H new ATOM 850 N ASN A 54 4.137 5.295 -11.839 1.00 0.00 N ATOM 851 CA ASN A 54 4.727 6.625 -11.742 1.00 0.00 C ATOM 852 C ASN A 54 5.545 6.766 -10.463 1.00 0.00 C ATOM 853 O ASN A 54 5.740 7.871 -9.957 1.00 0.00 O ATOM 854 CB ASN A 54 3.633 7.694 -11.782 1.00 0.00 C ATOM 855 CG ASN A 54 4.159 9.042 -12.236 1.00 0.00 C ATOM 856 OD1 ASN A 54 4.717 9.168 -13.326 1.00 0.00 O ATOM 857 ND2 ASN A 54 3.984 10.058 -11.399 1.00 0.00 N ATOM 0 H ASN A 54 4.594 4.679 -12.511 1.00 0.00 H new ATOM 0 HA ASN A 54 5.393 6.763 -12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.838 7.372 -12.455 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.191 7.795 -10.791 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.318 10.989 -11.650 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.516 9.908 -10.505 1.00 0.00 H new ATOM 864 N ILE A 55 6.023 5.639 -9.945 1.00 0.00 N ATOM 865 CA ILE A 55 6.821 5.637 -8.726 1.00 0.00 C ATOM 866 C ILE A 55 8.295 5.394 -9.035 1.00 0.00 C ATOM 867 O ILE A 55 9.029 4.842 -8.215 1.00 0.00 O ATOM 868 CB ILE A 55 6.333 4.564 -7.735 1.00 0.00 C ATOM 869 CG1 ILE A 55 4.806 4.586 -7.637 1.00 0.00 C ATOM 870 CG2 ILE A 55 6.960 4.783 -6.366 1.00 0.00 C ATOM 871 CD1 ILE A 55 4.246 3.550 -6.687 1.00 0.00 C ATOM 0 H ILE A 55 5.871 4.716 -10.351 1.00 0.00 H new ATOM 0 HA ILE A 55 6.704 6.620 -8.271 1.00 0.00 H new ATOM 0 HB ILE A 55 6.641 3.585 -8.102 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.485 5.576 -7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.384 4.423 -8.629 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.605 4.017 -5.677 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.045 4.722 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.679 5.767 -5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.159 3.624 -6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.536 2.554 -7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.639 3.725 -5.685 1.00 0.00 H new ATOM 883 N ALA A 56 8.722 5.812 -10.222 1.00 0.00 N ATOM 884 CA ALA A 56 10.109 5.644 -10.638 1.00 0.00 C ATOM 885 C ALA A 56 11.064 5.883 -9.473 1.00 0.00 C ATOM 886 O ALA A 56 12.177 5.359 -9.454 1.00 0.00 O ATOM 887 CB ALA A 56 10.432 6.585 -11.789 1.00 0.00 C ATOM 0 H ALA A 56 8.127 6.270 -10.913 1.00 0.00 H new ATOM 0 HA ALA A 56 10.239 4.616 -10.976 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.471 6.449 -12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.778 6.365 -12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.279 7.616 -11.470 1.00 0.00 H new ATOM 893 N ASP A 57 10.621 6.677 -8.505 1.00 0.00 N ATOM 894 CA ASP A 57 11.437 6.985 -7.336 1.00 0.00 C ATOM 895 C ASP A 57 11.509 5.788 -6.393 1.00 0.00 C ATOM 896 O ASP A 57 10.493 5.219 -5.994 1.00 0.00 O ATOM 897 CB ASP A 57 10.870 8.199 -6.597 1.00 0.00 C ATOM 898 CG ASP A 57 11.410 9.509 -7.136 1.00 0.00 C ATOM 899 OD1 ASP A 57 12.646 9.630 -7.273 1.00 0.00 O ATOM 900 OD2 ASP A 57 10.597 10.412 -7.422 1.00 0.00 O ATOM 0 H ASP A 57 9.702 7.119 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 57 12.446 7.216 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.783 8.196 -6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.109 8.120 -5.537 1.00 0.00 H new ATOM 905 N PRO A 58 12.738 5.395 -6.028 1.00 0.00 N ATOM 906 CA PRO A 58 12.972 4.262 -5.128 1.00 0.00 C ATOM 907 C PRO A 58 12.536 4.558 -3.697 1.00 0.00 C ATOM 908 O PRO A 58 12.029 3.680 -3.000 1.00 0.00 O ATOM 909 CB PRO A 58 14.489 4.064 -5.194 1.00 0.00 C ATOM 910 CG PRO A 58 15.029 5.399 -5.573 1.00 0.00 C ATOM 911 CD PRO A 58 13.994 6.027 -6.465 1.00 0.00 C ATOM 0 HA PRO A 58 12.400 3.383 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.887 3.734 -4.235 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.758 3.305 -5.929 1.00 0.00 H new ATOM 0 HG2 PRO A 58 15.207 6.013 -4.690 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.983 5.301 -6.091 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.962 7.110 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.198 5.830 -7.518 1.00 0.00 H new ATOM 919 N GLU A 59 12.736 5.800 -3.267 1.00 0.00 N ATOM 920 CA GLU A 59 12.362 6.210 -1.919 1.00 0.00 C ATOM 921 C GLU A 59 10.946 5.752 -1.583 1.00 0.00 C ATOM 922 O GLU A 59 10.665 5.339 -0.458 1.00 0.00 O ATOM 923 CB GLU A 59 12.466 7.730 -1.777 1.00 0.00 C ATOM 924 CG GLU A 59 13.890 8.253 -1.856 1.00 0.00 C ATOM 925 CD GLU A 59 14.060 9.590 -1.161 1.00 0.00 C ATOM 926 OE1 GLU A 59 13.557 9.737 -0.027 1.00 0.00 O ATOM 927 OE2 GLU A 59 14.695 10.489 -1.751 1.00 0.00 O ATOM 0 H GLU A 59 13.155 6.539 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 59 13.052 5.739 -1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.871 8.201 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.031 8.028 -0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 59 14.566 7.525 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.179 8.352 -2.902 1.00 0.00 H new ATOM 934 N ASP A 60 10.057 5.829 -2.568 1.00 0.00 N ATOM 935 CA ASP A 60 8.669 5.423 -2.379 1.00 0.00 C ATOM 936 C ASP A 60 8.519 3.913 -2.538 1.00 0.00 C ATOM 937 O ASP A 60 7.885 3.252 -1.715 1.00 0.00 O ATOM 938 CB ASP A 60 7.763 6.146 -3.376 1.00 0.00 C ATOM 939 CG ASP A 60 8.100 7.619 -3.501 1.00 0.00 C ATOM 940 OD1 ASP A 60 7.741 8.390 -2.586 1.00 0.00 O ATOM 941 OD2 ASP A 60 8.723 8.001 -4.514 1.00 0.00 O ATOM 0 H ASP A 60 10.273 6.169 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 60 8.371 5.695 -1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.852 5.672 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.724 6.039 -3.063 1.00 0.00 H new ATOM 946 N ARG A 61 9.105 3.374 -3.602 1.00 0.00 N ATOM 947 CA ARG A 61 9.033 1.943 -3.870 1.00 0.00 C ATOM 948 C ARG A 61 9.481 1.139 -2.653 1.00 0.00 C ATOM 949 O ARG A 61 8.750 0.279 -2.162 1.00 0.00 O ATOM 950 CB ARG A 61 9.901 1.585 -5.078 1.00 0.00 C ATOM 951 CG ARG A 61 9.349 2.098 -6.398 1.00 0.00 C ATOM 952 CD ARG A 61 9.720 1.179 -7.552 1.00 0.00 C ATOM 953 NE ARG A 61 11.167 1.050 -7.704 1.00 0.00 N ATOM 954 CZ ARG A 61 11.912 1.902 -8.399 1.00 0.00 C ATOM 955 NH1 ARG A 61 11.350 2.941 -9.001 1.00 0.00 N ATOM 956 NH2 ARG A 61 13.223 1.717 -8.492 1.00 0.00 N ATOM 0 H ARG A 61 9.635 3.907 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 61 7.995 1.691 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.901 1.992 -4.929 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.003 0.501 -5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.264 2.181 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.735 3.099 -6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.283 0.194 -7.386 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.291 1.566 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 61 11.631 0.262 -7.252 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.343 3.088 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.925 3.594 -9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.660 0.920 -8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.794 2.372 -9.026 1.00 0.00 H new ATOM 970 N ALA A 62 10.686 1.424 -2.172 1.00 0.00 N ATOM 971 CA ALA A 62 11.231 0.729 -1.012 1.00 0.00 C ATOM 972 C ALA A 62 10.330 0.906 0.206 1.00 0.00 C ATOM 973 O ALA A 62 9.928 -0.070 0.839 1.00 0.00 O ATOM 974 CB ALA A 62 12.636 1.227 -0.709 1.00 0.00 C ATOM 0 H ALA A 62 11.304 2.132 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 62 11.278 -0.335 -1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.030 0.699 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.281 1.043 -1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 62 12.606 2.296 -0.501 1.00 0.00 H new ATOM 980 N ARG A 63 10.018 2.157 0.528 1.00 0.00 N ATOM 981 CA ARG A 63 9.167 2.461 1.672 1.00 0.00 C ATOM 982 C ARG A 63 7.823 1.747 1.555 1.00 0.00 C ATOM 983 O ARG A 63 7.189 1.425 2.561 1.00 0.00 O ATOM 984 CB ARG A 63 8.946 3.971 1.783 1.00 0.00 C ATOM 985 CG ARG A 63 10.037 4.690 2.559 1.00 0.00 C ATOM 986 CD ARG A 63 9.782 6.188 2.620 1.00 0.00 C ATOM 987 NE ARG A 63 10.998 6.939 2.920 1.00 0.00 N ATOM 988 CZ ARG A 63 11.542 7.006 4.130 1.00 0.00 C ATOM 989 NH1 ARG A 63 10.980 6.369 5.148 1.00 0.00 N ATOM 990 NH2 ARG A 63 12.650 7.709 4.323 1.00 0.00 N ATOM 0 H ARG A 63 10.342 2.976 0.013 1.00 0.00 H new ATOM 0 HA ARG A 63 9.670 2.107 2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.885 4.395 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.986 4.155 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 63 10.091 4.288 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.003 4.503 2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.374 6.525 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.030 6.397 3.381 1.00 0.00 H new ATOM 0 HE ARG A 63 11.455 7.440 2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.129 5.826 5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.399 6.422 6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.086 8.199 3.542 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.066 7.759 5.253 1.00 0.00 H new ATOM 1004 N LEU A 64 7.395 1.503 0.322 1.00 0.00 N ATOM 1005 CA LEU A 64 6.126 0.827 0.073 1.00 0.00 C ATOM 1006 C LEU A 64 6.272 -0.683 0.234 1.00 0.00 C ATOM 1007 O LEU A 64 5.455 -1.330 0.889 1.00 0.00 O ATOM 1008 CB LEU A 64 5.619 1.154 -1.333 1.00 0.00 C ATOM 1009 CG LEU A 64 4.100 1.181 -1.509 1.00 0.00 C ATOM 1010 CD1 LEU A 64 3.724 1.914 -2.787 1.00 0.00 C ATOM 1011 CD2 LEU A 64 3.539 -0.234 -1.518 1.00 0.00 C ATOM 0 H LEU A 64 7.907 1.763 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 64 5.403 1.184 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.016 2.127 -1.624 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.032 0.421 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 64 3.665 1.717 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.639 1.923 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.093 2.939 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.170 1.406 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.457 -0.196 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.981 -0.795 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.777 -0.726 -0.575 1.00 0.00 H new ATOM 1023 N LEU A 65 7.319 -1.238 -0.366 1.00 0.00 N ATOM 1024 CA LEU A 65 7.575 -2.672 -0.288 1.00 0.00 C ATOM 1025 C LEU A 65 7.965 -3.079 1.130 1.00 0.00 C ATOM 1026 O LEU A 65 7.251 -3.834 1.789 1.00 0.00 O ATOM 1027 CB LEU A 65 8.681 -3.067 -1.267 1.00 0.00 C ATOM 1028 CG LEU A 65 8.477 -2.638 -2.720 1.00 0.00 C ATOM 1029 CD1 LEU A 65 9.816 -2.399 -3.400 1.00 0.00 C ATOM 1030 CD2 LEU A 65 7.671 -3.684 -3.477 1.00 0.00 C ATOM 0 H LEU A 65 8.005 -0.717 -0.912 1.00 0.00 H new ATOM 0 HA LEU A 65 6.657 -3.195 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.621 -2.643 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.791 -4.151 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 65 7.918 -1.702 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.650 -2.094 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.357 -1.613 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.402 -3.318 -3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.536 -3.362 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.203 -4.635 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.697 -3.805 -3.004 1.00 0.00 H new ATOM 1042 N SER A 66 9.103 -2.571 1.593 1.00 0.00 N ATOM 1043 CA SER A 66 9.590 -2.883 2.932 1.00 0.00 C ATOM 1044 C SER A 66 8.464 -2.778 3.957 1.00 0.00 C ATOM 1045 O SER A 66 8.344 -3.616 4.850 1.00 0.00 O ATOM 1046 CB SER A 66 10.732 -1.940 3.315 1.00 0.00 C ATOM 1047 OG SER A 66 11.558 -2.518 4.311 1.00 0.00 O ATOM 0 H SER A 66 9.705 -1.942 1.061 1.00 0.00 H new ATOM 0 HA SER A 66 9.961 -3.908 2.928 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.329 -1.709 2.432 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.323 -0.998 3.679 1.00 0.00 H new ATOM 0 HG SER A 66 12.281 -1.897 4.537 1.00 0.00 H new ATOM 1053 N ALA A 67 7.643 -1.742 3.821 1.00 0.00 N ATOM 1054 CA ALA A 67 6.526 -1.528 4.732 1.00 0.00 C ATOM 1055 C ALA A 67 5.509 -2.660 4.630 1.00 0.00 C ATOM 1056 O ALA A 67 5.156 -3.282 5.631 1.00 0.00 O ATOM 1057 CB ALA A 67 5.860 -0.190 4.446 1.00 0.00 C ATOM 0 H ALA A 67 7.731 -1.038 3.088 1.00 0.00 H new ATOM 0 HA ALA A 67 6.917 -1.517 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.027 -0.044 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.585 0.613 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.490 -0.180 3.421 1.00 0.00 H new ATOM 1063 N ALA A 68 5.040 -2.920 3.414 1.00 0.00 N ATOM 1064 CA ALA A 68 4.064 -3.977 3.181 1.00 0.00 C ATOM 1065 C ALA A 68 4.551 -5.307 3.747 1.00 0.00 C ATOM 1066 O ALA A 68 3.806 -6.012 4.428 1.00 0.00 O ATOM 1067 CB ALA A 68 3.773 -4.109 1.694 1.00 0.00 C ATOM 0 H ALA A 68 5.321 -2.413 2.575 1.00 0.00 H new ATOM 0 HA ALA A 68 3.143 -3.707 3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.042 -4.902 1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.374 -3.167 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.694 -4.352 1.163 1.00 0.00 H new ATOM 1073 N GLU A 69 5.804 -5.645 3.459 1.00 0.00 N ATOM 1074 CA GLU A 69 6.388 -6.892 3.938 1.00 0.00 C ATOM 1075 C GLU A 69 6.127 -7.077 5.430 1.00 0.00 C ATOM 1076 O GLU A 69 5.619 -8.113 5.859 1.00 0.00 O ATOM 1077 CB GLU A 69 7.894 -6.913 3.667 1.00 0.00 C ATOM 1078 CG GLU A 69 8.246 -6.936 2.189 1.00 0.00 C ATOM 1079 CD GLU A 69 9.738 -7.051 1.947 1.00 0.00 C ATOM 1080 OE1 GLU A 69 10.514 -6.466 2.731 1.00 0.00 O ATOM 1081 OE2 GLU A 69 10.130 -7.726 0.972 1.00 0.00 O ATOM 0 H GLU A 69 6.434 -5.073 2.897 1.00 0.00 H new ATOM 0 HA GLU A 69 5.917 -7.714 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.350 -6.036 4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.329 -7.788 4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.739 -7.774 1.711 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.874 -6.027 1.716 1.00 0.00 H new ATOM 1088 N SER A 70 6.477 -6.064 6.217 1.00 0.00 N ATOM 1089 CA SER A 70 6.285 -6.116 7.661 1.00 0.00 C ATOM 1090 C SER A 70 4.830 -6.418 8.005 1.00 0.00 C ATOM 1091 O SER A 70 4.543 -7.245 8.872 1.00 0.00 O ATOM 1092 CB SER A 70 6.707 -4.792 8.301 1.00 0.00 C ATOM 1093 OG SER A 70 7.058 -4.973 9.663 1.00 0.00 O ATOM 0 H SER A 70 6.895 -5.197 5.878 1.00 0.00 H new ATOM 0 HA SER A 70 6.908 -6.918 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.554 -4.375 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.893 -4.072 8.225 1.00 0.00 H new ATOM 0 HG SER A 70 7.326 -4.113 10.049 1.00 0.00 H new ATOM 1099 N LEU A 71 3.914 -5.743 7.319 1.00 0.00 N ATOM 1100 CA LEU A 71 2.487 -5.938 7.551 1.00 0.00 C ATOM 1101 C LEU A 71 2.063 -7.355 7.176 1.00 0.00 C ATOM 1102 O LEU A 71 1.632 -8.131 8.030 1.00 0.00 O ATOM 1103 CB LEU A 71 1.676 -4.922 6.745 1.00 0.00 C ATOM 1104 CG LEU A 71 2.157 -3.472 6.815 1.00 0.00 C ATOM 1105 CD1 LEU A 71 1.685 -2.693 5.598 1.00 0.00 C ATOM 1106 CD2 LEU A 71 1.671 -2.810 8.096 1.00 0.00 C ATOM 0 H LEU A 71 4.134 -5.056 6.598 1.00 0.00 H new ATOM 0 HA LEU A 71 2.293 -5.789 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.676 -5.234 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.642 -4.958 7.088 1.00 0.00 H new ATOM 0 HG LEU A 71 3.247 -3.471 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.037 -1.664 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.083 -3.154 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.596 -2.702 5.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.023 -1.779 8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 71 0.581 -2.823 8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.060 -3.354 8.957 1.00 0.00 H new ATOM 1118 N LEU A 72 2.191 -7.686 5.896 1.00 0.00 N ATOM 1119 CA LEU A 72 1.823 -9.011 5.409 1.00 0.00 C ATOM 1120 C LEU A 72 2.785 -10.071 5.935 1.00 0.00 C ATOM 1121 O LEU A 72 2.402 -10.934 6.724 1.00 0.00 O ATOM 1122 CB LEU A 72 1.814 -9.029 3.879 1.00 0.00 C ATOM 1123 CG LEU A 72 0.906 -8.002 3.202 1.00 0.00 C ATOM 1124 CD1 LEU A 72 1.388 -7.712 1.789 1.00 0.00 C ATOM 1125 CD2 LEU A 72 -0.535 -8.493 3.185 1.00 0.00 C ATOM 0 H LEU A 72 2.546 -7.056 5.177 1.00 0.00 H new ATOM 0 HA LEU A 72 0.822 -9.241 5.775 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.834 -8.871 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.514 -10.023 3.549 1.00 0.00 H new ATOM 0 HG LEU A 72 0.947 -7.076 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.729 -6.979 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.403 -7.317 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.377 -8.632 1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.167 -7.749 2.699 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.593 -9.433 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.878 -8.649 4.208 1.00 0.00 H new ATOM 1137 N SER A 73 4.037 -9.998 5.494 1.00 0.00 N ATOM 1138 CA SER A 73 5.054 -10.953 5.919 1.00 0.00 C ATOM 1139 C SER A 73 5.543 -10.634 7.329 1.00 0.00 C ATOM 1140 O SER A 73 6.600 -10.032 7.511 1.00 0.00 O ATOM 1141 CB SER A 73 6.233 -10.942 4.944 1.00 0.00 C ATOM 1142 OG SER A 73 6.938 -12.171 4.982 1.00 0.00 O ATOM 0 H SER A 73 4.371 -9.288 4.843 1.00 0.00 H new ATOM 0 HA SER A 73 4.605 -11.946 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.871 -10.758 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.908 -10.124 5.194 1.00 0.00 H new ATOM 0 HG SER A 73 7.686 -12.139 4.349 1.00 0.00 H new ATOM 1148 N GLY A 74 4.763 -11.044 8.325 1.00 0.00 N ATOM 1149 CA GLY A 74 5.131 -10.793 9.706 1.00 0.00 C ATOM 1150 C GLY A 74 4.797 -11.959 10.616 1.00 0.00 C ATOM 1151 O GLY A 74 3.734 -12.005 11.236 1.00 0.00 O ATOM 0 H GLY A 74 3.883 -11.545 8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.200 -10.587 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.615 -9.900 10.060 1.00 0.00 H new ATOM 1155 N PRO A 75 5.718 -12.930 10.704 1.00 0.00 N ATOM 1156 CA PRO A 75 5.537 -14.119 11.541 1.00 0.00 C ATOM 1157 C PRO A 75 5.595 -13.795 13.030 1.00 0.00 C ATOM 1158 O PRO A 75 5.923 -12.674 13.418 1.00 0.00 O ATOM 1159 CB PRO A 75 6.712 -15.015 11.142 1.00 0.00 C ATOM 1160 CG PRO A 75 7.753 -14.075 10.640 1.00 0.00 C ATOM 1161 CD PRO A 75 7.007 -12.940 9.992 1.00 0.00 C ATOM 0 HA PRO A 75 4.561 -14.580 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.076 -15.592 11.992 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.421 -15.730 10.373 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.380 -13.715 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.412 -14.568 9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.536 -11.994 10.106 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.874 -13.105 8.923 1.00 0.00 H new ATOM 1169 N SER A 76 5.276 -14.783 13.859 1.00 0.00 N ATOM 1170 CA SER A 76 5.289 -14.601 15.306 1.00 0.00 C ATOM 1171 C SER A 76 6.294 -15.542 15.963 1.00 0.00 C ATOM 1172 O SER A 76 6.033 -16.734 16.123 1.00 0.00 O ATOM 1173 CB SER A 76 3.893 -14.844 15.884 1.00 0.00 C ATOM 1174 OG SER A 76 3.743 -14.205 17.140 1.00 0.00 O ATOM 0 H SER A 76 5.005 -15.718 13.554 1.00 0.00 H new ATOM 0 HA SER A 76 5.588 -13.574 15.516 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.139 -14.472 15.191 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.723 -15.915 15.995 1.00 0.00 H new ATOM 0 HG SER A 76 2.842 -14.374 17.487 1.00 0.00 H new ATOM 1180 N SER A 77 7.446 -14.996 16.340 1.00 0.00 N ATOM 1181 CA SER A 77 8.494 -15.786 16.976 1.00 0.00 C ATOM 1182 C SER A 77 8.221 -15.950 18.468 1.00 0.00 C ATOM 1183 O SER A 77 8.258 -17.058 19.000 1.00 0.00 O ATOM 1184 CB SER A 77 9.858 -15.127 16.765 1.00 0.00 C ATOM 1185 OG SER A 77 9.879 -13.815 17.301 1.00 0.00 O ATOM 0 H SER A 77 7.677 -14.010 16.216 1.00 0.00 H new ATOM 0 HA SER A 77 8.501 -16.774 16.515 1.00 0.00 H new ATOM 0 HB2 SER A 77 10.633 -15.729 17.239 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.088 -15.092 15.700 1.00 0.00 H new ATOM 0 HG SER A 77 10.762 -13.416 17.155 1.00 0.00 H new ATOM 1191 N GLY A 78 7.945 -14.835 19.139 1.00 0.00 N ATOM 1192 CA GLY A 78 7.670 -14.875 20.563 1.00 0.00 C ATOM 1193 C GLY A 78 6.267 -14.406 20.896 1.00 0.00 C ATOM 1194 O GLY A 78 5.870 -13.302 20.525 1.00 0.00 O ATOM 0 H GLY A 78 7.907 -13.905 18.721 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.806 -15.893 20.928 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.393 -14.250 21.087 1.00 0.00 H new TER 1198 GLY A 78