USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 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 53 LYS NZ :NH3+ -172:sc=-0.00338 (180deg=-0.0758) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 48 MET CE :methyl 156:sc= -0.0363 (180deg=-0.446) USER MOD Set 2.2: A 51 GLN : amide:sc= -0.545 K(o=-0.58,f=-4.4!) USER MOD Set 3.1: A 1 MET CE :methyl 168:sc= 0 (180deg=-0.18) USER MOD Set 3.2: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 62 THR OG1 : rot -178:sc= 0 USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0431 (180deg=-0.289) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.032) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= 0.198 K(o=0.2,f=-5.3!) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.16) USER MOD Single : A 49 ASN : amide:sc= 0.889 K(o=0.89,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 70:sc= 0.512 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0.053 (180deg=0.0411) USER MOD Single : A 75 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 80 HIS : no HE2:sc= 0.77 K(o=0.77,f=-2.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -126:sc= 0.514 (180deg=-1.71!) USER MOD Single : A 87 GLN : amide:sc= -0.103 K(o=-0.1,f=-0.97) USER MOD Single : A 88 HIS : no HE2:sc= 0.684 K(o=0.68,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.783 -4.591 9.387 1.00 -0.46 N ATOM 2 CA MET A 1 -14.822 -3.631 8.873 1.00 0.04 C ATOM 3 C MET A 1 -13.393 -4.128 9.107 1.00 0.62 C ATOM 4 O MET A 1 -13.181 -5.043 9.904 1.00 -0.50 O ATOM 5 CB MET A 1 -15.085 -2.245 9.484 1.00 -0.15 C ATOM 6 CG MET A 1 -14.897 -2.173 11.010 1.00 -0.05 C ATOM 7 SD MET A 1 -13.201 -2.114 11.660 1.00 0.74 S ATOM 8 CE MET A 1 -12.630 -0.525 11.008 1.00 -0.13 C ATOM 0 H1 MET A 1 -16.522 -4.091 9.921 1.00 -0.46 H new ATOM 0 H2 MET A 1 -16.217 -5.106 8.595 1.00 -0.46 H new ATOM 0 H3 MET A 1 -15.299 -5.265 10.014 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.942 -3.531 7.794 1.00 0.04 H new ATOM 0 HB2 MET A 1 -14.418 -1.522 9.014 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -16.104 -1.943 9.242 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -15.423 -1.289 11.370 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -15.393 -3.039 11.449 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -11.693 -0.249 11.491 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -12.473 -0.608 9.933 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -13.380 0.241 11.207 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.421 -3.519 8.416 1.00 -0.46 N ATOM 19 CA PHE A 2 -11.000 -3.809 8.575 1.00 0.04 C ATOM 20 C PHE A 2 -10.236 -2.495 8.741 1.00 0.62 C ATOM 21 O PHE A 2 -10.628 -1.471 8.180 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.441 -4.609 7.387 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.437 -5.410 6.573 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -12.139 -6.487 7.147 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -11.712 -5.027 5.248 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -13.145 -7.142 6.414 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -12.751 -5.647 4.538 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.453 -6.720 5.110 1.00 -0.15 C ATOM 0 H PHE A 2 -12.609 -2.798 7.719 1.00 -0.46 H new ATOM 0 HA PHE A 2 -10.873 -4.427 9.464 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -9.936 -3.913 6.717 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.683 -5.294 7.766 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -11.905 -6.810 8.151 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -11.123 -4.255 4.776 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -13.681 -7.970 6.854 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -13.011 -5.298 3.550 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -14.228 -7.220 4.549 1.00 -0.15 H new ATOM 38 N THR A 3 -9.140 -2.542 9.506 1.00 -0.46 N ATOM 39 CA THR A 3 -8.314 -1.394 9.849 1.00 0.04 C ATOM 40 C THR A 3 -7.036 -1.441 9.008 1.00 0.62 C ATOM 41 O THR A 3 -6.054 -2.064 9.407 1.00 -0.50 O ATOM 42 CB THR A 3 -8.028 -1.429 11.361 1.00 0.17 C ATOM 43 OG1 THR A 3 -9.246 -1.499 12.078 1.00 -0.55 O ATOM 44 CG2 THR A 3 -7.279 -0.179 11.827 1.00 -0.19 C ATOM 0 H THR A 3 -8.798 -3.412 9.914 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.820 -0.454 9.629 1.00 0.04 H new ATOM 0 HB THR A 3 -7.410 -2.306 11.551 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.059 -1.523 13.040 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -7.097 -0.243 12.900 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -6.327 -0.108 11.301 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.879 0.706 11.613 1.00 -0.19 H new ATOM 52 N ILE A 4 -7.053 -0.792 7.837 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.908 -0.731 6.942 1.00 0.04 C ATOM 54 C ILE A 4 -4.938 0.307 7.507 1.00 0.62 C ATOM 55 O ILE A 4 -5.221 1.504 7.471 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.333 -0.388 5.497 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -7.139 -1.496 4.794 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -5.082 -0.159 4.631 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.531 -1.747 5.376 1.00 -0.09 C ATOM 0 H ILE A 4 -7.872 -0.293 7.488 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.423 -1.705 6.886 1.00 0.04 H new ATOM 0 HB ILE A 4 -6.963 0.496 5.591 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -7.243 -1.237 3.740 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.569 -2.424 4.839 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.384 0.083 3.612 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.501 0.666 5.043 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.474 -1.063 4.624 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -9.021 -2.543 4.816 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -8.441 -2.041 6.422 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -9.125 -0.836 5.306 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.795 -0.157 8.021 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.726 0.705 8.506 1.00 0.04 C ATOM 73 C ASN A 5 -2.033 1.351 7.305 1.00 0.62 C ATOM 74 O ASN A 5 -1.600 0.642 6.397 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.722 -0.113 9.331 1.00 -0.09 C ATOM 76 CG ASN A 5 -2.329 -0.709 10.602 1.00 0.68 C ATOM 77 OD1 ASN A 5 -3.451 -0.385 10.989 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -1.578 -1.593 11.261 1.00 -0.87 N ATOM 0 H ASN A 5 -3.589 -1.152 8.111 1.00 -0.46 H new ATOM 0 HA ASN A 5 -3.139 1.482 9.149 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -1.325 -0.919 8.713 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -0.880 0.524 9.603 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -1.930 -2.024 12.116 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -0.652 -1.838 10.910 1.00 -0.87 H new ATOM 85 N ALA A 6 -1.945 2.686 7.293 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.315 3.438 6.219 1.00 0.04 C ATOM 87 C ALA A 6 -0.781 4.772 6.743 1.00 0.62 C ATOM 88 O ALA A 6 -1.138 5.211 7.836 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.330 3.665 5.094 1.00 -0.10 C ATOM 0 H ALA A 6 -2.315 3.274 8.040 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.472 2.869 5.827 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -1.860 4.228 4.288 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -2.672 2.703 4.713 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.182 4.226 5.480 1.00 -0.10 H new ATOM 95 N GLU A 7 0.073 5.414 5.939 1.00 -0.46 N ATOM 96 CA GLU A 7 0.588 6.755 6.179 1.00 0.04 C ATOM 97 C GLU A 7 0.688 7.488 4.843 1.00 0.62 C ATOM 98 O GLU A 7 0.545 6.878 3.785 1.00 -0.50 O ATOM 99 CB GLU A 7 1.960 6.692 6.868 1.00 -0.18 C ATOM 100 CG GLU A 7 1.877 6.130 8.292 1.00 -0.40 C ATOM 101 CD GLU A 7 3.215 6.246 9.014 1.00 0.71 C ATOM 102 OE1 GLU A 7 3.600 7.398 9.312 1.00 -0.72 O ATOM 103 OE2 GLU A 7 3.829 5.185 9.258 1.00 -0.72 O ATOM 0 H GLU A 7 0.432 4.998 5.080 1.00 -0.46 H new ATOM 0 HA GLU A 7 -0.089 7.295 6.841 1.00 0.04 H new ATOM 0 HB2 GLU A 7 2.633 6.072 6.275 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.393 7.692 6.900 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 1.111 6.666 8.853 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 1.571 5.084 8.255 1.00 -0.40 H new ATOM 110 N VAL A 8 0.942 8.801 4.896 1.00 -0.46 N ATOM 111 CA VAL A 8 1.154 9.625 3.713 1.00 0.04 C ATOM 112 C VAL A 8 2.401 9.160 2.951 1.00 0.62 C ATOM 113 O VAL A 8 3.308 8.564 3.532 1.00 -0.50 O ATOM 114 CB VAL A 8 1.235 11.114 4.092 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.080 11.584 4.728 1.00 -0.09 C ATOM 116 CG2 VAL A 8 2.410 11.427 5.031 1.00 -0.09 C ATOM 0 H VAL A 8 1.006 9.320 5.772 1.00 -0.46 H new ATOM 0 HA VAL A 8 0.299 9.507 3.047 1.00 0.04 H new ATOM 0 HB VAL A 8 1.407 11.659 3.164 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.001 12.639 4.989 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -0.897 11.445 4.020 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.277 11.002 5.628 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 2.416 12.492 5.264 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 2.302 10.855 5.952 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 3.347 11.157 4.544 1.00 -0.09 H new ATOM 126 N ARG A 9 2.438 9.430 1.641 1.00 -0.46 N ATOM 127 CA ARG A 9 3.533 9.026 0.772 1.00 0.04 C ATOM 128 C ARG A 9 4.765 9.902 0.997 1.00 0.62 C ATOM 129 O ARG A 9 5.015 10.840 0.243 1.00 -0.50 O ATOM 130 CB ARG A 9 3.067 9.027 -0.691 1.00 -0.08 C ATOM 131 CG ARG A 9 2.105 7.856 -0.933 1.00 -0.10 C ATOM 132 CD ARG A 9 2.489 7.005 -2.150 1.00 -0.23 C ATOM 133 NE ARG A 9 2.101 7.639 -3.415 1.00 -0.32 N ATOM 134 CZ ARG A 9 0.879 7.559 -3.970 1.00 0.76 C ATOM 135 NH1 ARG A 9 -0.125 6.936 -3.336 1.00 -0.62 N ATOM 136 NH2 ARG A 9 0.660 8.112 -5.169 1.00 -0.62 N ATOM 0 H ARG A 9 1.699 9.940 1.157 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.832 8.008 1.021 1.00 0.04 H new ATOM 0 HB2 ARG A 9 2.572 9.970 -0.924 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 3.927 8.946 -1.356 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 2.083 7.222 -0.046 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 1.096 8.245 -1.072 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 3.566 6.834 -2.147 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 2.011 6.028 -2.074 1.00 -0.23 H new ATOM 0 HE ARG A 9 2.810 8.180 -3.910 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 0.033 6.515 -2.420 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 -1.047 6.883 -3.769 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 1.418 8.590 -5.656 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 -0.265 8.055 -5.596 1.00 -0.62 H new ATOM 386 N LYS A 25 5.716 -3.760 -0.380 1.00 -0.46 N ATOM 387 CA LYS A 25 4.827 -2.636 -0.112 1.00 0.04 C ATOM 388 C LYS A 25 4.508 -1.938 -1.438 1.00 0.62 C ATOM 389 O LYS A 25 5.203 -2.163 -2.429 1.00 -0.50 O ATOM 390 CB LYS A 25 5.491 -1.651 0.858 1.00 -0.10 C ATOM 391 CG LYS A 25 6.036 -2.301 2.137 1.00 -0.16 C ATOM 392 CD LYS A 25 6.367 -1.206 3.157 1.00 -0.18 C ATOM 393 CE LYS A 25 7.140 -1.746 4.367 1.00 -0.04 C ATOM 394 NZ LYS A 25 8.528 -2.101 4.022 1.00 -0.14 N ATOM 0 HA LYS A 25 3.907 -2.996 0.348 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.309 -1.146 0.343 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 4.766 -0.885 1.133 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 5.300 -2.990 2.551 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 6.928 -2.885 1.911 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 6.956 -0.427 2.672 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 5.443 -0.740 3.499 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 7.144 -0.997 5.159 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 6.629 -2.624 4.761 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 9.044 -2.365 4.886 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 8.527 -2.904 3.361 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 8.994 -1.285 3.576 1.00 -0.14 H new ATOM 408 N PHE A 26 3.460 -1.103 -1.468 1.00 -0.46 N ATOM 409 CA PHE A 26 2.999 -0.461 -2.698 1.00 0.04 C ATOM 410 C PHE A 26 2.168 0.795 -2.383 1.00 0.62 C ATOM 411 O PHE A 26 1.657 0.920 -1.270 1.00 -0.50 O ATOM 412 CB PHE A 26 2.218 -1.483 -3.544 1.00 -0.10 C ATOM 413 CG PHE A 26 0.795 -1.748 -3.090 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.550 -2.473 -1.910 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.287 -1.275 -3.854 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.767 -2.753 -1.518 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.606 -1.529 -3.445 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.846 -2.272 -2.277 1.00 -0.15 C ATOM 0 H PHE A 26 2.913 -0.857 -0.643 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.857 -0.125 -3.280 1.00 0.04 H new ATOM 0 HB2 PHE A 26 2.193 -1.133 -4.576 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.765 -2.426 -3.541 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.377 -2.814 -1.305 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.103 -0.714 -4.759 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -0.952 -3.340 -0.630 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.435 -1.154 -4.027 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.860 -2.473 -1.963 1.00 -0.15 H new ATOM 428 N PRO A 27 2.028 1.738 -3.334 1.00 -0.23 N ATOM 429 CA PRO A 27 1.273 2.968 -3.139 1.00 0.04 C ATOM 430 C PRO A 27 -0.219 2.747 -3.414 1.00 0.53 C ATOM 431 O PRO A 27 -0.589 1.858 -4.182 1.00 -0.50 O ATOM 432 CB PRO A 27 1.871 3.949 -4.149 1.00 -0.12 C ATOM 433 CG PRO A 27 2.236 3.045 -5.323 1.00 -0.12 C ATOM 434 CD PRO A 27 2.682 1.754 -4.636 1.00 -0.01 C ATOM 0 HA PRO A 27 1.340 3.334 -2.114 1.00 0.04 H new ATOM 0 HB2 PRO A 27 1.155 4.718 -4.438 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.745 4.462 -3.746 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.385 2.878 -5.984 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 3.032 3.475 -5.931 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.398 0.882 -5.225 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.766 1.726 -4.527 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.077 3.578 -2.810 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.515 3.575 -3.056 1.00 0.04 C ATOM 444 C ALA A 28 -3.094 4.961 -2.752 1.00 0.62 C ATOM 445 O ALA A 28 -2.438 5.782 -2.117 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.185 2.470 -2.238 1.00 -0.10 C ATOM 0 H ALA A 28 -0.783 4.278 -2.129 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.713 3.361 -4.106 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.258 2.476 -2.429 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -2.771 1.503 -2.525 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.004 2.642 -1.177 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.298 5.253 -3.254 1.00 -0.46 N ATOM 453 CA ILE A 29 -4.881 6.592 -3.217 1.00 0.04 C ATOM 454 C ILE A 29 -6.309 6.507 -2.672 1.00 0.62 C ATOM 455 O ILE A 29 -7.005 5.523 -2.901 1.00 -0.50 O ATOM 456 CB ILE A 29 -4.809 7.220 -4.625 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.341 7.395 -5.068 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.517 8.579 -4.667 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.190 7.892 -6.510 1.00 -0.09 C ATOM 0 H ILE A 29 -4.898 4.559 -3.700 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.320 7.243 -2.547 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.316 6.541 -5.310 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -2.849 8.099 -4.397 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -2.823 6.441 -4.965 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.448 8.994 -5.672 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.566 8.451 -4.398 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.041 9.259 -3.960 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.132 7.992 -6.752 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.652 7.178 -7.191 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.679 8.861 -6.614 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.731 7.545 -1.942 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.070 7.717 -1.396 1.00 0.04 C ATOM 473 C ILE A 30 -8.803 8.725 -2.283 1.00 0.62 C ATOM 474 O ILE A 30 -8.180 9.677 -2.745 1.00 -0.50 O ATOM 475 CB ILE A 30 -7.991 8.230 0.057 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -6.960 7.455 0.900 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.372 8.183 0.728 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -6.811 8.035 2.311 1.00 -0.09 C ATOM 0 H ILE A 30 -6.114 8.322 -1.708 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.605 6.767 -1.382 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.655 9.266 0.007 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -7.262 6.410 0.969 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -5.993 7.475 0.397 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.292 8.549 1.752 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.068 8.810 0.172 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -9.737 7.156 0.738 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.074 7.455 2.867 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.483 9.072 2.245 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -7.771 7.990 2.826 1.00 -0.09 H new ATOM 490 N TYR A 31 -10.108 8.525 -2.514 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.943 9.401 -3.330 1.00 0.04 C ATOM 492 C TYR A 31 -12.125 9.943 -2.524 1.00 0.62 C ATOM 493 O TYR A 31 -12.581 9.318 -1.568 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.413 8.654 -4.583 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.376 8.646 -5.688 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.292 7.751 -5.633 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.432 9.618 -6.705 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.271 7.828 -6.596 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.418 9.681 -7.677 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.340 8.780 -7.626 1.00 0.46 C ATOM 501 OH TYR A 31 -7.355 8.846 -8.568 1.00 -0.53 O ATOM 0 H TYR A 31 -10.618 7.731 -2.128 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.349 10.259 -3.644 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.660 7.627 -4.316 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.328 9.116 -4.954 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.244 7.006 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.255 10.316 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.430 7.152 -6.544 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.467 10.421 -8.462 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.561 9.560 -9.207 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.608 11.125 -2.933 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.687 11.850 -2.284 1.00 0.04 C ATOM 513 C GLY A 32 -13.125 12.827 -1.250 1.00 0.62 C ATOM 514 O GLY A 32 -12.127 13.500 -1.503 1.00 -0.50 O ATOM 0 H GLY A 32 -12.240 11.610 -3.751 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.269 12.393 -3.029 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -14.366 11.148 -1.800 1.00 0.04 H new ATOM 518 N GLY A 33 -13.778 12.902 -0.086 1.00 -0.46 N ATOM 519 CA GLY A 33 -13.378 13.750 1.024 1.00 0.04 C ATOM 520 C GLY A 33 -13.920 15.158 0.808 1.00 0.62 C ATOM 521 O GLY A 33 -15.077 15.422 1.129 1.00 -0.50 O ATOM 0 H GLY A 33 -14.619 12.358 0.108 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -13.757 13.343 1.962 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -12.291 13.775 1.103 1.00 0.04 H new ATOM 525 N LYS A 34 -13.087 16.044 0.250 1.00 -0.46 N ATOM 526 CA LYS A 34 -13.493 17.375 -0.175 1.00 0.04 C ATOM 527 C LYS A 34 -13.871 17.287 -1.655 1.00 0.62 C ATOM 528 O LYS A 34 -15.041 17.092 -1.978 1.00 -0.50 O ATOM 529 CB LYS A 34 -12.368 18.380 0.126 1.00 -0.10 C ATOM 530 CG LYS A 34 -12.736 19.806 -0.308 1.00 -0.16 C ATOM 531 CD LYS A 34 -11.572 20.765 -0.033 1.00 -0.18 C ATOM 532 CE LYS A 34 -11.918 22.177 -0.522 1.00 -0.04 C ATOM 533 NZ LYS A 34 -10.800 23.114 -0.309 1.00 -0.14 N ATOM 0 H LYS A 34 -12.100 15.847 0.082 1.00 -0.46 H new ATOM 0 HA LYS A 34 -14.363 17.739 0.372 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -12.151 18.371 1.194 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -11.458 18.069 -0.387 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -12.982 19.818 -1.370 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -13.624 20.139 0.229 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -11.354 20.786 1.035 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -10.672 20.409 -0.535 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -12.169 22.144 -1.582 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -12.802 22.538 0.004 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -11.069 24.059 -0.651 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -10.577 23.164 0.706 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -9.964 22.782 -0.831 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.878 17.408 -2.545 1.00 -0.46 N ATOM 548 CA GLU A 35 -13.032 17.293 -3.988 1.00 0.04 C ATOM 549 C GLU A 35 -11.639 17.085 -4.596 1.00 0.62 C ATOM 550 O GLU A 35 -11.260 17.747 -5.560 1.00 -0.50 O ATOM 551 CB GLU A 35 -13.740 18.548 -4.533 1.00 -0.18 C ATOM 552 CG GLU A 35 -14.300 18.338 -5.946 1.00 -0.40 C ATOM 553 CD GLU A 35 -14.998 19.600 -6.443 1.00 0.71 C ATOM 554 OE1 GLU A 35 -14.275 20.486 -6.949 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -16.238 19.663 -6.296 1.00 -0.72 O ATOM 0 H GLU A 35 -11.916 17.595 -2.264 1.00 -0.46 H new ATOM 0 HA GLU A 35 -13.655 16.441 -4.259 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -14.552 18.824 -3.861 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -13.038 19.382 -4.544 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -13.492 18.072 -6.627 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -15.003 17.505 -5.944 1.00 -0.40 H new ATOM 562 N ALA A 36 -10.858 16.176 -3.998 1.00 -0.46 N ATOM 563 CA ALA A 36 -9.481 15.903 -4.386 1.00 0.04 C ATOM 564 C ALA A 36 -9.019 14.618 -3.693 1.00 0.62 C ATOM 565 O ALA A 36 -9.395 14.393 -2.544 1.00 -0.50 O ATOM 566 CB ALA A 36 -8.574 17.068 -3.976 1.00 -0.10 C ATOM 0 H ALA A 36 -11.178 15.603 -3.217 1.00 -0.46 H new ATOM 0 HA ALA A 36 -9.424 15.784 -5.468 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -7.547 16.851 -4.272 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -8.909 17.981 -4.469 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -8.620 17.202 -2.895 1.00 -0.10 H new ATOM 572 N PRO A 37 -8.213 13.775 -4.358 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.727 12.529 -3.790 1.00 0.04 C ATOM 574 C PRO A 37 -6.537 12.762 -2.852 1.00 0.53 C ATOM 575 O PRO A 37 -5.847 13.774 -2.965 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.323 11.686 -5.000 1.00 -0.12 C ATOM 577 CG PRO A 37 -6.849 12.733 -6.007 1.00 -0.12 C ATOM 578 CD PRO A 37 -7.798 13.903 -5.746 1.00 -0.01 C ATOM 0 HA PRO A 37 -8.484 12.038 -3.178 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -6.532 10.978 -4.752 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.161 11.106 -5.386 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -5.808 13.011 -5.842 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -6.924 12.372 -7.033 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.299 14.857 -5.919 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -8.657 13.867 -6.416 1.00 -0.01 H new ATOM 586 N LEU A 38 -6.306 11.822 -1.922 1.00 -0.46 N ATOM 587 CA LEU A 38 -5.209 11.858 -0.956 1.00 0.04 C ATOM 588 C LEU A 38 -4.314 10.632 -1.169 1.00 0.62 C ATOM 589 O LEU A 38 -4.800 9.504 -1.161 1.00 -0.50 O ATOM 590 CB LEU A 38 -5.740 11.855 0.490 1.00 -0.06 C ATOM 591 CG LEU A 38 -6.446 13.127 0.994 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -5.553 14.369 0.894 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -7.799 13.389 0.325 1.00 -0.11 C ATOM 0 H LEU A 38 -6.896 10.996 -1.823 1.00 -0.46 H new ATOM 0 HA LEU A 38 -4.641 12.776 -1.110 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -6.436 11.022 0.590 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.901 11.651 1.155 1.00 -0.06 H new ATOM 0 HG LEU A 38 -6.647 12.930 2.047 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -6.097 15.239 1.262 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -4.656 14.221 1.495 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -5.270 14.531 -0.146 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -8.235 14.301 0.731 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -7.658 13.502 -0.750 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -8.468 12.550 0.517 1.00 -0.11 H new ATOM 605 N ALA A 39 -3.007 10.854 -1.352 1.00 -0.46 N ATOM 606 CA ALA A 39 -2.023 9.811 -1.620 1.00 0.04 C ATOM 607 C ALA A 39 -1.507 9.193 -0.318 1.00 0.62 C ATOM 608 O ALA A 39 -1.063 9.921 0.570 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.871 10.430 -2.417 1.00 -0.10 C ATOM 0 H ALA A 39 -2.599 11.788 -1.316 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.487 9.010 -2.195 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.123 9.666 -2.628 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.253 10.833 -3.355 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 -0.416 11.232 -1.836 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.539 7.855 -0.218 1.00 -0.46 N ATOM 616 CA ILE A 40 -1.020 7.095 0.919 1.00 0.04 C ATOM 617 C ILE A 40 -0.178 5.902 0.443 1.00 0.62 C ATOM 618 O ILE A 40 -0.121 5.612 -0.752 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.161 6.695 1.883 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.322 5.908 1.245 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.744 7.946 2.555 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -2.996 4.434 0.987 1.00 -0.09 C ATOM 0 H ILE A 40 -1.937 7.262 -0.946 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.347 7.733 1.492 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.689 6.023 2.599 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -4.193 5.970 1.897 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -3.596 6.381 0.302 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.547 7.655 3.232 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -1.961 8.455 3.118 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.138 8.618 1.793 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -3.859 3.944 0.537 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -2.145 4.363 0.310 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -2.752 3.945 1.930 1.00 -0.09 H new ATOM 634 N GLU A 41 0.500 5.227 1.379 1.00 -0.46 N ATOM 635 CA GLU A 41 1.287 4.023 1.131 1.00 0.04 C ATOM 636 C GLU A 41 1.010 2.999 2.230 1.00 0.62 C ATOM 637 O GLU A 41 0.626 3.369 3.340 1.00 -0.50 O ATOM 638 CB GLU A 41 2.781 4.360 0.991 1.00 -0.18 C ATOM 639 CG GLU A 41 3.417 5.002 2.239 1.00 -0.40 C ATOM 640 CD GLU A 41 4.224 4.022 3.091 1.00 0.71 C ATOM 641 OE1 GLU A 41 3.816 2.843 3.177 1.00 -0.72 O ATOM 642 OE2 GLU A 41 5.250 4.474 3.645 1.00 -0.72 O ATOM 0 H GLU A 41 0.514 5.516 2.357 1.00 -0.46 H new ATOM 0 HA GLU A 41 0.989 3.579 0.181 1.00 0.04 H new ATOM 0 HB2 GLU A 41 3.325 3.446 0.753 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 2.909 5.037 0.146 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 4.068 5.818 1.925 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 2.630 5.440 2.852 1.00 -0.40 H new ATOM 649 N LEU A 42 1.165 1.711 1.893 1.00 -0.46 N ATOM 650 CA LEU A 42 0.822 0.603 2.773 1.00 0.04 C ATOM 651 C LEU A 42 1.464 -0.706 2.297 1.00 0.62 C ATOM 652 O LEU A 42 1.999 -0.789 1.190 1.00 -0.50 O ATOM 653 CB LEU A 42 -0.708 0.499 2.936 1.00 -0.06 C ATOM 654 CG LEU A 42 -1.541 0.722 1.658 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -1.221 -0.291 0.557 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.027 0.610 2.002 1.00 -0.11 C ATOM 0 H LEU A 42 1.536 1.414 0.991 1.00 -0.46 H new ATOM 0 HA LEU A 42 1.235 0.799 3.762 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -0.945 -0.488 3.332 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.024 1.227 3.683 1.00 -0.06 H new ATOM 0 HG LEU A 42 -1.291 1.714 1.281 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -1.838 -0.085 -0.318 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -0.168 -0.213 0.286 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -1.429 -1.298 0.918 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -3.622 0.767 1.102 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.233 -0.381 2.405 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.287 1.365 2.744 1.00 -0.11 H new ATOM 668 N ASP A 43 1.425 -1.726 3.163 1.00 -0.46 N ATOM 669 CA ASP A 43 2.017 -3.034 2.917 1.00 0.04 C ATOM 670 C ASP A 43 1.180 -3.841 1.930 1.00 0.62 C ATOM 671 O ASP A 43 -0.036 -3.678 1.870 1.00 -0.50 O ATOM 672 CB ASP A 43 2.138 -3.810 4.235 1.00 -0.40 C ATOM 673 CG ASP A 43 3.021 -3.086 5.242 1.00 0.71 C ATOM 674 OD1 ASP A 43 4.249 -3.315 5.188 1.00 -0.72 O ATOM 675 OD2 ASP A 43 2.453 -2.315 6.046 1.00 -0.72 O ATOM 0 H ASP A 43 0.969 -1.657 4.073 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.007 -2.879 2.487 1.00 0.04 H new ATOM 0 HB2 ASP A 43 1.146 -3.957 4.662 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 2.550 -4.800 4.037 1.00 -0.40 H new ATOM 680 N HIS A 44 1.834 -4.749 1.196 1.00 -0.46 N ATOM 681 CA HIS A 44 1.195 -5.718 0.317 1.00 0.04 C ATOM 682 C HIS A 44 1.014 -7.025 1.103 1.00 0.62 C ATOM 683 O HIS A 44 1.512 -8.076 0.704 1.00 -0.50 O ATOM 684 CB HIS A 44 2.078 -5.869 -0.934 1.00 -0.10 C ATOM 685 CG HIS A 44 1.520 -6.704 -2.059 1.00 -0.03 C ATOM 686 ND1 HIS A 44 0.693 -7.798 -1.937 1.00 -0.15 N ATOM 687 CD2 HIS A 44 1.863 -6.596 -3.380 1.00 0.20 C ATOM 688 CE1 HIS A 44 0.537 -8.328 -3.162 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.231 -7.631 -4.076 1.00 -0.50 N ATOM 0 H HIS A 44 2.851 -4.827 1.202 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.206 -5.405 -0.017 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.291 -4.873 -1.323 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.030 -6.302 -0.628 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 0.275 -8.144 -1.073 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 2.508 -5.844 -3.809 1.00 0.20 H new ATOM 0 HE1 HIS A 44 -0.065 -9.197 -3.382 1.00 0.24 H new ATOM 697 N ASP A 45 0.310 -6.954 2.240 1.00 -0.46 N ATOM 698 CA ASP A 45 0.202 -8.061 3.181 1.00 0.04 C ATOM 699 C ASP A 45 -1.113 -7.957 3.954 1.00 0.62 C ATOM 700 O ASP A 45 -2.048 -8.705 3.675 1.00 -0.50 O ATOM 701 CB ASP A 45 1.437 -8.057 4.097 1.00 -0.40 C ATOM 702 CG ASP A 45 1.401 -9.118 5.195 1.00 0.71 C ATOM 703 OD1 ASP A 45 0.590 -10.062 5.084 1.00 -0.72 O ATOM 704 OD2 ASP A 45 2.195 -8.957 6.148 1.00 -0.72 O ATOM 0 H ASP A 45 -0.201 -6.120 2.529 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.182 -9.017 2.657 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.328 -8.209 3.488 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 1.531 -7.074 4.559 1.00 -0.40 H new ATOM 709 N LYS A 46 -1.198 -7.029 4.916 1.00 -0.46 N ATOM 710 CA LYS A 46 -2.409 -6.785 5.689 1.00 0.04 C ATOM 711 C LYS A 46 -3.586 -6.529 4.747 1.00 0.62 C ATOM 712 O LYS A 46 -4.585 -7.243 4.804 1.00 -0.50 O ATOM 713 CB LYS A 46 -2.189 -5.610 6.653 1.00 -0.10 C ATOM 714 CG LYS A 46 -1.691 -6.023 8.050 1.00 -0.16 C ATOM 715 CD LYS A 46 -0.366 -6.806 8.097 1.00 -0.18 C ATOM 716 CE LYS A 46 -0.575 -8.326 8.162 1.00 -0.04 C ATOM 717 NZ LYS A 46 0.678 -9.036 8.465 1.00 -0.14 N ATOM 0 H LYS A 46 -0.419 -6.425 5.177 1.00 -0.46 H new ATOM 0 HA LYS A 46 -2.645 -7.666 6.286 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -1.468 -4.923 6.211 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -3.126 -5.063 6.761 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -1.578 -5.122 8.653 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -2.464 -6.629 8.524 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 0.226 -6.563 7.215 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 0.210 -6.486 8.965 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -1.318 -8.559 8.924 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -0.973 -8.680 7.211 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 0.501 -10.061 8.484 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 1.385 -8.820 7.733 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 1.035 -8.729 9.392 1.00 -0.14 H new ATOM 731 N VAL A 47 -3.452 -5.543 3.853 1.00 -0.46 N ATOM 732 CA VAL A 47 -4.492 -5.233 2.884 1.00 0.04 C ATOM 733 C VAL A 47 -4.714 -6.389 1.900 1.00 0.62 C ATOM 734 O VAL A 47 -5.826 -6.543 1.407 1.00 -0.50 O ATOM 735 CB VAL A 47 -4.196 -3.898 2.181 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -3.144 -4.052 1.081 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -5.470 -3.295 1.577 1.00 -0.09 C ATOM 0 H VAL A 47 -2.627 -4.947 3.786 1.00 -0.46 H new ATOM 0 HA VAL A 47 -5.434 -5.112 3.418 1.00 0.04 H new ATOM 0 HB VAL A 47 -3.805 -3.227 2.945 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -2.965 -3.085 0.611 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -2.215 -4.422 1.515 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -3.501 -4.759 0.332 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -5.229 -2.352 1.087 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -5.889 -3.987 0.846 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -6.199 -3.117 2.368 1.00 -0.09 H new ATOM 747 N MET A 48 -3.682 -7.204 1.620 1.00 -0.46 N ATOM 748 CA MET A 48 -3.780 -8.348 0.718 1.00 0.04 C ATOM 749 C MET A 48 -4.728 -9.408 1.290 1.00 0.62 C ATOM 750 O MET A 48 -5.574 -9.937 0.571 1.00 -0.50 O ATOM 751 CB MET A 48 -2.382 -8.899 0.393 1.00 -0.15 C ATOM 752 CG MET A 48 -2.382 -9.823 -0.835 1.00 -0.05 C ATOM 753 SD MET A 48 -2.943 -11.529 -0.559 1.00 0.74 S ATOM 754 CE MET A 48 -4.200 -11.690 -1.855 1.00 -0.13 C ATOM 0 H MET A 48 -2.752 -7.080 2.020 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.214 -8.025 -0.228 1.00 0.04 H new ATOM 0 HB2 MET A 48 -1.700 -8.067 0.217 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -2.002 -9.447 1.255 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -3.015 -9.374 -1.601 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -1.370 -9.857 -1.238 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -4.331 -12.743 -2.106 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -5.145 -11.282 -1.498 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -3.881 -11.142 -2.742 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.621 -9.695 2.592 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.566 -10.571 3.273 1.00 0.04 C ATOM 766 C ASN A 49 -6.984 -9.990 3.218 1.00 0.62 C ATOM 767 O ASN A 49 -7.937 -10.723 2.960 1.00 -0.50 O ATOM 768 CB ASN A 49 -5.125 -10.821 4.722 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.963 -11.809 4.807 1.00 0.68 C ATOM 770 OD1 ASN A 49 -4.174 -12.993 5.053 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -2.732 -11.334 4.614 1.00 -0.87 N ATOM 0 H ASN A 49 -3.883 -9.328 3.193 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.579 -11.530 2.756 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.831 -9.876 5.179 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.969 -11.204 5.296 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -1.929 -11.961 4.669 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -2.593 -10.344 4.411 1.00 -0.87 H new ATOM 778 N MET A 50 -7.123 -8.679 3.454 1.00 -0.46 N ATOM 779 CA MET A 50 -8.415 -8.003 3.523 1.00 0.04 C ATOM 780 C MET A 50 -9.139 -7.997 2.171 1.00 0.62 C ATOM 781 O MET A 50 -10.342 -8.254 2.128 1.00 -0.50 O ATOM 782 CB MET A 50 -8.231 -6.576 4.052 1.00 -0.15 C ATOM 783 CG MET A 50 -7.743 -6.568 5.505 1.00 -0.05 C ATOM 784 SD MET A 50 -7.107 -4.965 6.060 1.00 0.74 S ATOM 785 CE MET A 50 -6.492 -5.403 7.705 1.00 -0.13 C ATOM 0 H MET A 50 -6.330 -8.055 3.603 1.00 -0.46 H new ATOM 0 HA MET A 50 -9.046 -8.562 4.214 1.00 0.04 H new ATOM 0 HB2 MET A 50 -7.515 -6.045 3.425 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -9.176 -6.038 3.983 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -8.565 -6.866 6.155 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.959 -7.317 5.618 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -6.067 -4.520 8.181 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -7.314 -5.782 8.312 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -5.724 -6.171 7.614 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.429 -7.689 1.075 1.00 -0.46 N ATOM 796 CA GLN A 51 -9.033 -7.574 -0.249 1.00 0.04 C ATOM 797 C GLN A 51 -9.689 -8.880 -0.699 1.00 0.62 C ATOM 798 O GLN A 51 -10.864 -8.861 -1.061 1.00 -0.50 O ATOM 799 CB GLN A 51 -8.106 -6.915 -1.288 1.00 -0.10 C ATOM 800 CG GLN A 51 -6.709 -7.524 -1.451 1.00 -0.10 C ATOM 801 CD GLN A 51 -6.568 -8.575 -2.548 1.00 0.68 C ATOM 802 OE1 GLN A 51 -7.530 -9.228 -2.937 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -5.348 -8.740 -3.063 1.00 -0.87 N ATOM 0 H GLN A 51 -7.424 -7.514 1.088 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.856 -6.865 -0.162 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -8.605 -6.945 -2.257 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.990 -5.864 -1.022 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -6.003 -6.718 -1.653 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.416 -7.974 -0.502 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -4.568 -8.181 -2.717 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -5.195 -9.426 -3.803 1.00 -0.87 H new ATOM 812 N ALA A 52 -8.958 -9.999 -0.626 1.00 -0.46 N ATOM 813 CA ALA A 52 -9.438 -11.348 -0.908 1.00 0.04 C ATOM 814 C ALA A 52 -10.050 -11.505 -2.310 1.00 0.62 C ATOM 815 O ALA A 52 -9.390 -12.016 -3.214 1.00 -0.50 O ATOM 816 CB ALA A 52 -10.380 -11.820 0.208 1.00 -0.10 C ATOM 0 H ALA A 52 -7.974 -9.983 -0.357 1.00 -0.46 H new ATOM 0 HA ALA A 52 -8.568 -12.004 -0.919 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -10.731 -12.828 -0.014 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -9.846 -11.823 1.158 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.233 -11.145 0.274 1.00 -0.10 H new ATOM 822 N LYS A 53 -11.317 -11.101 -2.479 1.00 -0.46 N ATOM 823 CA LYS A 53 -12.080 -11.238 -3.711 1.00 0.04 C ATOM 824 C LYS A 53 -12.987 -10.007 -3.883 1.00 0.62 C ATOM 825 O LYS A 53 -12.511 -8.970 -4.341 1.00 -0.50 O ATOM 826 CB LYS A 53 -12.821 -12.590 -3.679 1.00 -0.10 C ATOM 827 CG LYS A 53 -13.506 -12.972 -4.999 1.00 -0.16 C ATOM 828 CD LYS A 53 -12.484 -13.466 -6.036 1.00 -0.18 C ATOM 829 CE LYS A 53 -13.141 -13.877 -7.359 1.00 -0.04 C ATOM 830 NZ LYS A 53 -14.063 -15.017 -7.199 1.00 -0.14 N ATOM 0 H LYS A 53 -11.850 -10.656 -1.732 1.00 -0.46 H new ATOM 0 HA LYS A 53 -11.442 -11.258 -4.594 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -12.111 -13.373 -3.413 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -13.572 -12.560 -2.890 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -14.246 -13.751 -4.815 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -14.042 -12.110 -5.396 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -11.754 -12.679 -6.226 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -11.937 -14.315 -5.626 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -13.686 -13.027 -7.770 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -12.367 -14.138 -8.080 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -14.377 -15.344 -8.135 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -13.574 -15.792 -6.708 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -14.889 -14.720 -6.641 1.00 -0.14 H new ATOM 844 N ALA A 54 -14.279 -10.108 -3.537 1.00 -0.46 N ATOM 845 CA ALA A 54 -15.261 -9.025 -3.625 1.00 0.04 C ATOM 846 C ALA A 54 -15.702 -8.543 -2.236 1.00 0.62 C ATOM 847 O ALA A 54 -16.213 -7.429 -2.103 1.00 -0.50 O ATOM 848 CB ALA A 54 -16.471 -9.512 -4.430 1.00 -0.10 C ATOM 0 H ALA A 54 -14.679 -10.975 -3.177 1.00 -0.46 H new ATOM 0 HA ALA A 54 -14.797 -8.176 -4.127 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -17.207 -8.711 -4.500 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -16.150 -9.799 -5.431 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.917 -10.373 -3.931 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.502 -9.384 -1.212 1.00 -0.46 N ATOM 855 CA GLU A 55 -15.836 -9.155 0.189 1.00 0.04 C ATOM 856 C GLU A 55 -15.422 -7.763 0.679 1.00 0.62 C ATOM 857 O GLU A 55 -16.164 -7.127 1.426 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.155 -10.264 1.004 1.00 -0.18 C ATOM 859 CG GLU A 55 -15.512 -10.222 2.491 1.00 -0.40 C ATOM 860 CD GLU A 55 -14.906 -11.420 3.214 1.00 0.71 C ATOM 861 OE1 GLU A 55 -13.691 -11.354 3.504 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -15.657 -12.395 3.432 1.00 -0.72 O ATOM 0 H GLU A 55 -15.075 -10.299 -1.356 1.00 -0.46 H new ATOM 0 HA GLU A 55 -16.918 -9.188 0.316 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -15.440 -11.234 0.595 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.074 -10.176 0.893 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.144 -9.297 2.934 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.595 -10.225 2.612 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.242 -7.303 0.244 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.609 -6.051 0.633 1.00 0.04 C ATOM 871 C PHE A 56 -14.600 -4.888 0.744 1.00 0.62 C ATOM 872 O PHE A 56 -14.880 -4.401 1.837 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.503 -5.738 -0.382 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.528 -4.638 0.003 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -10.731 -4.782 1.155 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -11.233 -3.613 -0.919 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -9.588 -3.984 1.330 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -10.107 -2.793 -0.728 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.262 -3.008 0.374 1.00 -0.15 C ATOM 0 H PHE A 56 -13.678 -7.828 -0.425 1.00 -0.46 H new ATOM 0 HA PHE A 56 -13.189 -6.171 1.632 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.935 -6.651 -0.562 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.973 -5.464 -1.326 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -11.000 -5.509 1.907 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.874 -3.457 -1.774 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -8.961 -4.121 2.199 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.892 -1.999 -1.427 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.361 -2.422 0.486 1.00 -0.15 H new ATOM 889 N TYR A 57 -15.135 -4.457 -0.401 1.00 -0.46 N ATOM 890 CA TYR A 57 -16.057 -3.337 -0.514 1.00 0.04 C ATOM 891 C TYR A 57 -17.490 -3.716 -0.128 1.00 0.62 C ATOM 892 O TYR A 57 -18.340 -2.834 -0.026 1.00 -0.50 O ATOM 893 CB TYR A 57 -15.983 -2.763 -1.937 1.00 -0.10 C ATOM 894 CG TYR A 57 -16.019 -3.795 -3.051 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -17.239 -4.368 -3.454 1.00 0.00 C ATOM 896 CD2 TYR A 57 -14.818 -4.213 -3.658 1.00 0.00 C ATOM 897 CE1 TYR A 57 -17.260 -5.334 -4.476 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -14.839 -5.183 -4.674 1.00 -0.26 C ATOM 899 CZ TYR A 57 -16.061 -5.733 -5.094 1.00 0.46 C ATOM 900 OH TYR A 57 -16.077 -6.655 -6.100 1.00 -0.53 O ATOM 0 H TYR A 57 -14.929 -4.895 -1.299 1.00 -0.46 H new ATOM 0 HA TYR A 57 -15.754 -2.569 0.198 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -16.814 -2.071 -2.077 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -15.065 -2.182 -2.030 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -18.160 -4.066 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.878 -3.786 -3.341 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -18.198 -5.770 -4.787 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -13.916 -5.506 -5.132 1.00 -0.26 H new ATOM 0 HH TYR A 57 -15.162 -6.813 -6.413 1.00 -0.53 H new ATOM 910 N SER A 58 -17.777 -5.005 0.097 1.00 -0.46 N ATOM 911 CA SER A 58 -19.107 -5.439 0.490 1.00 0.04 C ATOM 912 C SER A 58 -19.433 -4.924 1.894 1.00 0.62 C ATOM 913 O SER A 58 -20.419 -4.208 2.068 1.00 -0.50 O ATOM 914 CB SER A 58 -19.232 -6.965 0.393 1.00 0.02 C ATOM 915 OG SER A 58 -18.862 -7.410 -0.897 1.00 -0.55 O ATOM 0 H SER A 58 -17.098 -5.761 0.011 1.00 -0.46 H new ATOM 0 HA SER A 58 -19.839 -5.015 -0.198 1.00 0.04 H new ATOM 0 HB2 SER A 58 -18.597 -7.436 1.143 1.00 0.02 H new ATOM 0 HB3 SER A 58 -20.257 -7.266 0.608 1.00 0.02 H new ATOM 0 HG SER A 58 -17.897 -7.290 -1.020 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.602 -5.280 2.885 1.00 -0.46 N ATOM 922 CA GLU A 59 -18.870 -5.028 4.299 1.00 0.04 C ATOM 923 C GLU A 59 -18.169 -3.782 4.859 1.00 0.62 C ATOM 924 O GLU A 59 -18.116 -3.630 6.077 1.00 -0.50 O ATOM 925 CB GLU A 59 -18.536 -6.288 5.114 1.00 -0.18 C ATOM 926 CG GLU A 59 -17.039 -6.628 5.121 1.00 -0.40 C ATOM 927 CD GLU A 59 -16.756 -7.846 5.995 1.00 0.71 C ATOM 928 OE1 GLU A 59 -16.989 -7.736 7.219 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -16.311 -8.867 5.427 1.00 -0.72 O ATOM 0 H GLU A 59 -17.715 -5.757 2.719 1.00 -0.46 H new ATOM 0 HA GLU A 59 -19.933 -4.804 4.389 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -18.875 -6.148 6.141 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -19.091 -7.133 4.707 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -16.702 -6.821 4.103 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -16.471 -5.773 5.488 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.655 -2.889 3.998 1.00 -0.46 N ATOM 937 CA VAL A 60 -16.973 -1.643 4.363 1.00 0.04 C ATOM 938 C VAL A 60 -15.576 -1.890 4.945 1.00 0.62 C ATOM 939 O VAL A 60 -15.239 -3.008 5.329 1.00 -0.50 O ATOM 940 CB VAL A 60 -17.865 -0.718 5.235 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.470 -0.639 6.721 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -17.860 0.718 4.692 1.00 -0.09 C ATOM 0 H VAL A 60 -17.707 -3.024 2.988 1.00 -0.46 H new ATOM 0 HA VAL A 60 -16.802 -1.089 3.440 1.00 0.04 H new ATOM 0 HB VAL A 60 -18.851 -1.180 5.176 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -18.152 0.031 7.244 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -17.526 -1.633 7.166 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -16.452 -0.259 6.807 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -18.492 1.347 5.320 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -16.841 1.106 4.699 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -18.243 0.722 3.672 1.00 -0.09 H new ATOM 952 N LEU A 61 -14.755 -0.831 4.994 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.425 -0.855 5.584 1.00 0.04 C ATOM 954 C LEU A 61 -12.979 0.566 5.942 1.00 0.62 C ATOM 955 O LEU A 61 -13.698 1.525 5.668 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.439 -1.569 4.648 1.00 -0.06 C ATOM 957 CG LEU A 61 -12.388 -0.973 3.231 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -10.939 -0.800 2.776 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -13.120 -1.870 2.227 1.00 -0.11 C ATOM 0 H LEU A 61 -15.010 0.081 4.615 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.448 -1.425 6.513 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.442 -1.528 5.086 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -12.714 -2.622 4.580 1.00 -0.06 H new ATOM 0 HG LEU A 61 -12.882 -0.002 3.267 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -10.921 -0.377 1.771 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -10.420 -0.130 3.461 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -10.441 -1.770 2.771 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -13.067 -1.423 1.234 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -12.650 -2.853 2.208 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -14.164 -1.972 2.524 1.00 -0.11 H new ATOM 971 N THR A 62 -11.810 0.695 6.585 1.00 -0.46 N ATOM 972 CA THR A 62 -11.315 1.956 7.122 1.00 0.04 C ATOM 973 C THR A 62 -9.815 2.089 6.870 1.00 0.62 C ATOM 974 O THR A 62 -9.045 1.204 7.237 1.00 -0.50 O ATOM 975 CB THR A 62 -11.622 2.012 8.625 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.017 1.925 8.830 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.118 3.303 9.277 1.00 -0.19 C ATOM 0 H THR A 62 -11.178 -0.089 6.745 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.812 2.788 6.622 1.00 0.04 H new ATOM 0 HB THR A 62 -11.104 1.171 9.086 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.212 1.992 9.788 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.360 3.293 10.340 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.038 3.376 9.152 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.597 4.160 8.804 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.409 3.222 6.287 1.00 -0.46 N ATOM 986 CA ILE A 63 -8.019 3.633 6.172 1.00 0.04 C ATOM 987 C ILE A 63 -7.656 4.440 7.417 1.00 0.62 C ATOM 988 O ILE A 63 -8.239 5.495 7.659 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.819 4.460 4.886 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -7.793 3.542 3.651 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.548 5.322 4.935 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -6.427 2.886 3.420 1.00 -0.09 C ATOM 0 H ILE A 63 -10.060 3.890 5.874 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.365 2.764 6.105 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.668 5.139 4.811 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -8.548 2.765 3.767 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -8.065 4.121 2.769 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -6.454 5.884 4.006 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -6.611 6.015 5.774 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.677 4.679 5.060 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -6.473 2.251 2.535 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -5.672 3.659 3.273 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -6.163 2.281 4.287 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.662 3.961 8.172 1.00 -0.46 N ATOM 1005 CA VAL A 64 -5.971 4.761 9.168 1.00 0.04 C ATOM 1006 C VAL A 64 -4.893 5.541 8.424 1.00 0.62 C ATOM 1007 O VAL A 64 -3.924 4.938 7.968 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.358 3.864 10.257 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.613 4.709 11.300 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.446 3.048 10.960 1.00 -0.09 C ATOM 0 H VAL A 64 -6.319 3.003 8.103 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.657 5.439 9.676 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.655 3.187 9.772 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.187 4.055 12.061 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.814 5.267 10.812 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.309 5.406 11.768 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -5.992 2.420 11.727 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.165 3.723 11.423 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -6.957 2.419 10.231 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.066 6.862 8.300 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.060 7.766 7.756 1.00 0.04 C ATOM 1022 C VAL A 65 -3.626 8.698 8.887 1.00 0.62 C ATOM 1023 O VAL A 65 -4.197 9.769 9.080 1.00 -0.50 O ATOM 1024 CB VAL A 65 -4.572 8.462 6.478 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -5.940 9.142 6.620 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -3.538 9.455 5.930 1.00 -0.09 C ATOM 0 H VAL A 65 -5.925 7.335 8.581 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.172 7.235 7.413 1.00 0.04 H new ATOM 0 HB VAL A 65 -4.716 7.652 5.763 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -6.217 9.604 5.672 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -6.689 8.399 6.894 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -5.887 9.907 7.394 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -3.930 9.928 5.030 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -3.333 10.218 6.681 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -2.616 8.925 5.690 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.631 8.242 9.661 1.00 -0.46 N ATOM 1037 CA ASP A 66 -2.132 8.900 10.861 1.00 0.04 C ATOM 1038 C ASP A 66 -3.283 9.199 11.828 1.00 0.62 C ATOM 1039 O ASP A 66 -3.714 10.342 11.973 1.00 -0.50 O ATOM 1040 CB ASP A 66 -1.305 10.142 10.494 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.706 10.831 11.720 1.00 0.71 C ATOM 1042 OD1 ASP A 66 -0.337 10.104 12.669 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 -0.627 12.078 11.686 1.00 -0.72 O ATOM 0 H ASP A 66 -2.139 7.373 9.455 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.455 8.227 11.387 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.502 9.852 9.816 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -1.937 10.849 9.957 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.799 8.147 12.475 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.856 8.251 13.468 1.00 0.04 C ATOM 1050 C GLY A 67 -6.245 8.295 12.827 1.00 0.62 C ATOM 1051 O GLY A 67 -7.115 7.512 13.207 1.00 -0.50 O ATOM 0 H GLY A 67 -3.484 7.190 12.316 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.798 7.402 14.149 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.704 9.150 14.066 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.461 9.218 11.882 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.763 9.460 11.272 1.00 0.04 C ATOM 1057 C LYS A 68 -8.312 8.207 10.587 1.00 0.62 C ATOM 1058 O LYS A 68 -7.758 7.747 9.590 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.682 10.622 10.275 1.00 -0.10 C ATOM 1060 CG LYS A 68 -7.611 11.974 10.992 1.00 -0.16 C ATOM 1061 CD LYS A 68 -7.621 13.114 9.968 1.00 -0.18 C ATOM 1062 CE LYS A 68 -7.797 14.465 10.669 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -7.803 15.579 9.703 1.00 -0.14 N ATOM 0 H LYS A 68 -5.724 9.822 11.519 1.00 -0.46 H new ATOM 0 HA LYS A 68 -8.454 9.727 12.072 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.804 10.499 9.642 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -8.553 10.602 9.620 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -8.456 12.078 11.672 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -6.706 12.026 11.597 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -6.689 13.110 9.402 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -8.429 12.961 9.253 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -8.731 14.465 11.232 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -6.991 14.610 11.388 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -7.924 16.478 10.211 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -6.902 15.593 9.184 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -8.587 15.452 9.032 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.425 7.693 11.126 1.00 -0.46 N ATOM 1078 CA GLU A 69 -10.185 6.574 10.593 1.00 0.04 C ATOM 1079 C GLU A 69 -11.081 7.060 9.452 1.00 0.62 C ATOM 1080 O GLU A 69 -12.258 7.354 9.657 1.00 -0.50 O ATOM 1081 CB GLU A 69 -11.024 5.955 11.720 1.00 -0.18 C ATOM 1082 CG GLU A 69 -10.148 5.182 12.711 1.00 -0.40 C ATOM 1083 CD GLU A 69 -11.012 4.450 13.733 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -11.529 3.371 13.365 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -11.155 4.987 14.852 1.00 -0.72 O ATOM 0 H GLU A 69 -9.831 8.068 11.983 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.509 5.815 10.199 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.565 6.741 12.247 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.771 5.285 11.294 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.526 4.466 12.173 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.474 5.869 13.222 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.520 7.127 8.242 1.00 -0.46 N ATOM 1093 CA ILE A 70 -11.240 7.509 7.040 1.00 0.04 C ATOM 1094 C ILE A 70 -11.960 6.271 6.498 1.00 0.62 C ATOM 1095 O ILE A 70 -11.333 5.389 5.914 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.264 8.132 6.023 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.483 9.324 6.611 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -11.007 8.564 4.753 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -10.350 10.490 7.098 1.00 -0.09 C ATOM 0 H ILE A 70 -9.537 6.913 8.075 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.991 8.270 7.252 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.538 7.359 5.770 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -8.879 8.967 7.445 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.793 9.696 5.854 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.299 9.001 4.048 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.484 7.696 4.297 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.767 9.302 5.009 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -9.710 11.279 7.494 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -10.935 10.881 6.266 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -11.022 10.141 7.882 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.280 6.203 6.716 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.127 5.098 6.284 1.00 0.04 C ATOM 1113 C LYS A 71 -14.283 5.117 4.762 1.00 0.62 C ATOM 1114 O LYS A 71 -14.628 6.149 4.187 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.487 5.180 6.988 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.334 4.911 8.493 1.00 -0.16 C ATOM 1117 CD LYS A 71 -16.676 4.957 9.236 1.00 -0.18 C ATOM 1118 CE LYS A 71 -17.215 6.387 9.370 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -18.444 6.425 10.184 1.00 -0.14 N ATOM 0 H LYS A 71 -13.794 6.933 7.209 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.659 4.153 6.559 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.924 6.166 6.832 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -16.173 4.454 6.551 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -14.874 3.934 8.640 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -14.658 5.649 8.924 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -17.405 4.344 8.705 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -16.555 4.521 10.228 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -16.455 7.022 9.825 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -17.420 6.794 8.380 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -18.783 7.406 10.255 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -19.176 5.838 9.736 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -18.241 6.059 11.136 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.001 3.977 4.119 1.00 -0.46 N ATOM 1134 CA VAL A 72 -13.922 3.830 2.671 1.00 0.04 C ATOM 1135 C VAL A 72 -14.539 2.502 2.219 1.00 0.62 C ATOM 1136 O VAL A 72 -14.852 1.634 3.033 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.454 3.942 2.204 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.911 5.365 2.359 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.531 2.968 2.946 1.00 -0.09 C ATOM 0 H VAL A 72 -13.816 3.105 4.615 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.495 4.635 2.211 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.461 3.678 1.147 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.876 5.399 2.019 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.512 6.051 1.761 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.958 5.660 3.407 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.510 3.085 2.582 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.562 3.180 4.015 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -11.864 1.945 2.769 1.00 -0.09 H new ATOM 1149 N LYS A 73 -14.682 2.350 0.899 1.00 -0.46 N ATOM 1150 CA LYS A 73 -14.884 1.077 0.226 1.00 0.04 C ATOM 1151 C LYS A 73 -13.803 0.961 -0.852 1.00 0.62 C ATOM 1152 O LYS A 73 -12.624 0.864 -0.516 1.00 -0.50 O ATOM 1153 CB LYS A 73 -16.319 0.968 -0.318 1.00 -0.10 C ATOM 1154 CG LYS A 73 -17.325 0.733 0.812 1.00 -0.16 C ATOM 1155 CD LYS A 73 -18.699 0.356 0.240 1.00 -0.18 C ATOM 1156 CE LYS A 73 -19.600 -0.245 1.327 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -20.728 -0.995 0.744 1.00 -0.14 N ATOM 0 H LYS A 73 -14.659 3.140 0.254 1.00 -0.46 H new ATOM 0 HA LYS A 73 -14.783 0.236 0.912 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -16.577 1.881 -0.854 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -16.377 0.150 -1.036 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -16.967 -0.062 1.466 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -17.413 1.632 1.421 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -19.175 1.240 -0.185 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -18.575 -0.361 -0.572 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -19.012 -0.907 1.963 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -19.983 0.552 1.965 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -21.388 -1.271 1.499 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -21.223 -0.396 0.053 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -20.369 -1.848 0.269 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.186 0.992 -2.134 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.267 0.945 -3.259 1.00 0.04 C ATOM 1173 C ALA A 74 -13.990 1.395 -4.525 1.00 0.62 C ATOM 1174 O ALA A 74 -15.129 0.998 -4.761 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.728 -0.474 -3.453 1.00 -0.10 C ATOM 0 H ALA A 74 -15.165 1.052 -2.415 1.00 -0.46 H new ATOM 0 HA ALA A 74 -12.429 1.612 -3.056 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.042 -0.490 -4.300 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.201 -0.789 -2.553 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.557 -1.155 -3.645 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.307 2.210 -5.335 1.00 -0.46 N ATOM 1182 CA GLN A 75 -13.743 2.612 -6.663 1.00 0.04 C ATOM 1183 C GLN A 75 -13.177 1.602 -7.658 1.00 0.62 C ATOM 1184 O GLN A 75 -13.930 0.977 -8.402 1.00 -0.50 O ATOM 1185 CB GLN A 75 -13.259 4.046 -6.955 1.00 -0.10 C ATOM 1186 CG GLN A 75 -14.321 4.925 -7.633 1.00 -0.10 C ATOM 1187 CD GLN A 75 -14.438 4.698 -9.140 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -14.179 5.610 -9.921 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -14.848 3.501 -9.564 1.00 -0.87 N ATOM 0 H GLN A 75 -12.410 2.617 -5.071 1.00 -0.46 H new ATOM 0 HA GLN A 75 -14.830 2.620 -6.742 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -12.953 4.515 -6.020 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -12.376 4.000 -7.592 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.289 4.732 -7.170 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -14.083 5.973 -7.450 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -15.055 2.764 -8.889 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -14.954 3.323 -10.563 1.00 -0.87 H new ATOM 1198 N ASP A 76 -11.847 1.446 -7.642 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.088 0.597 -8.546 1.00 0.04 C ATOM 1200 C ASP A 76 -9.982 -0.100 -7.752 1.00 0.62 C ATOM 1201 O ASP A 76 -8.810 0.258 -7.851 1.00 -0.50 O ATOM 1202 CB ASP A 76 -10.517 1.442 -9.696 1.00 -0.40 C ATOM 1203 CG ASP A 76 -11.612 2.120 -10.517 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -12.260 1.398 -11.306 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -11.782 3.344 -10.335 1.00 -0.72 O ATOM 0 H ASP A 76 -11.254 1.931 -6.969 1.00 -0.46 H new ATOM 0 HA ASP A 76 -11.731 -0.165 -8.987 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -9.849 2.201 -9.289 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -9.918 0.806 -10.348 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.361 -1.112 -6.964 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.410 -1.969 -6.270 1.00 0.04 C ATOM 1212 C VAL A 77 -8.696 -2.849 -7.302 1.00 0.62 C ATOM 1213 O VAL A 77 -9.240 -3.857 -7.750 1.00 -0.50 O ATOM 1214 CB VAL A 77 -10.099 -2.746 -5.126 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -11.275 -3.641 -5.545 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -9.084 -3.572 -4.330 1.00 -0.09 C ATOM 0 H VAL A 77 -11.337 -1.355 -6.793 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.642 -1.376 -5.773 1.00 0.04 H new ATOM 0 HB VAL A 77 -10.532 -1.964 -4.503 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -11.684 -4.139 -4.666 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -12.049 -3.031 -6.010 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -10.927 -4.389 -6.257 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -9.597 -4.108 -3.532 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -8.597 -4.287 -4.993 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -8.334 -2.909 -3.898 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.478 -2.455 -7.700 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.698 -3.167 -8.704 1.00 0.04 C ATOM 1228 C GLN A 78 -5.949 -4.317 -8.026 1.00 0.62 C ATOM 1229 O GLN A 78 -4.724 -4.301 -7.898 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.782 -2.182 -9.453 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.253 -2.764 -10.772 1.00 -0.10 C ATOM 1232 CD GLN A 78 -6.362 -2.976 -11.798 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -6.663 -4.110 -12.165 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -6.976 -1.887 -12.265 1.00 -0.87 N ATOM 0 H GLN A 78 -7.010 -1.628 -7.328 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.343 -3.610 -9.463 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -6.331 -1.263 -9.659 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -4.941 -1.914 -8.814 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -4.501 -2.093 -11.187 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -4.758 -3.715 -10.574 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -6.697 -0.963 -11.935 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -7.725 -1.979 -12.952 1.00 -0.87 H new ATOM 1243 N ARG A 79 -6.730 -5.311 -7.585 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.276 -6.530 -6.937 1.00 0.04 C ATOM 1245 C ARG A 79 -6.442 -7.711 -7.883 1.00 0.62 C ATOM 1246 O ARG A 79 -7.399 -7.761 -8.658 1.00 -0.50 O ATOM 1247 CB ARG A 79 -7.036 -6.753 -5.619 1.00 -0.08 C ATOM 1248 CG ARG A 79 -8.559 -6.924 -5.746 1.00 -0.10 C ATOM 1249 CD ARG A 79 -9.009 -8.382 -5.905 1.00 -0.23 C ATOM 1250 NE ARG A 79 -10.449 -8.455 -6.165 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -11.044 -8.223 -7.345 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -10.322 -7.945 -8.441 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -12.381 -8.265 -7.415 1.00 -0.62 N ATOM 0 H ARG A 79 -7.745 -5.277 -7.679 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.218 -6.435 -6.694 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -6.629 -7.639 -5.132 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -6.838 -5.908 -4.960 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -9.037 -6.501 -4.863 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -8.909 -6.350 -6.604 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -8.463 -8.849 -6.724 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -8.769 -8.942 -5.001 1.00 -0.23 H new ATOM 0 HE ARG A 79 -11.052 -8.704 -5.381 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -9.304 -7.907 -8.385 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -10.791 -7.771 -9.330 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -12.929 -8.471 -6.580 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -12.851 -8.091 -8.303 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.514 -8.670 -7.787 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.569 -9.935 -8.496 1.00 0.04 C ATOM 1269 C HIS A 80 -5.862 -11.026 -7.459 1.00 0.62 C ATOM 1270 O HIS A 80 -5.055 -11.207 -6.548 1.00 -0.50 O ATOM 1271 CB HIS A 80 -4.226 -10.169 -9.199 1.00 -0.10 C ATOM 1272 CG HIS A 80 -4.263 -11.239 -10.262 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.911 -12.451 -10.182 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -3.667 -11.170 -11.492 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -4.704 -13.096 -11.343 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -3.948 -12.358 -12.172 1.00 -0.50 N ATOM 0 H HIS A 80 -4.687 -8.577 -7.197 1.00 -0.46 H new ATOM 0 HA HIS A 80 -6.348 -9.943 -9.258 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -3.898 -9.234 -9.652 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.480 -10.440 -8.452 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -5.449 -12.796 -9.387 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -3.083 -10.344 -11.870 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -5.093 -14.076 -11.578 1.00 0.24 H new ATOM 1284 N PRO A 81 -6.993 -11.744 -7.554 1.00 -0.23 N ATOM 1285 CA PRO A 81 -7.311 -12.838 -6.649 1.00 0.04 C ATOM 1286 C PRO A 81 -6.543 -14.102 -7.057 1.00 0.53 C ATOM 1287 O PRO A 81 -5.852 -14.113 -8.076 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.825 -13.019 -6.776 1.00 -0.12 C ATOM 1289 CG PRO A 81 -9.089 -12.650 -8.235 1.00 -0.12 C ATOM 1290 CD PRO A 81 -8.065 -11.549 -8.517 1.00 -0.01 C ATOM 0 HA PRO A 81 -7.024 -12.636 -5.617 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -9.130 -14.042 -6.556 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.369 -12.370 -6.090 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.951 -13.505 -8.896 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -10.109 -12.296 -8.381 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -7.690 -11.617 -9.538 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.513 -10.562 -8.407 1.00 -0.01 H new ATOM 1298 N TYR A 82 -6.672 -15.165 -6.253 1.00 -0.46 N ATOM 1299 CA TYR A 82 -6.026 -16.461 -6.442 1.00 0.04 C ATOM 1300 C TYR A 82 -4.527 -16.371 -6.137 1.00 0.62 C ATOM 1301 O TYR A 82 -4.081 -16.873 -5.107 1.00 -0.50 O ATOM 1302 CB TYR A 82 -6.322 -17.070 -7.825 1.00 -0.10 C ATOM 1303 CG TYR A 82 -7.784 -17.022 -8.232 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -8.743 -17.752 -7.505 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -8.193 -16.226 -9.320 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -10.102 -17.678 -7.856 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -9.553 -16.149 -9.667 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -10.508 -16.874 -8.935 1.00 0.46 C ATOM 1309 OH TYR A 82 -11.829 -16.795 -9.270 1.00 -0.53 O ATOM 0 H TYR A 82 -7.256 -15.139 -5.417 1.00 -0.46 H new ATOM 0 HA TYR A 82 -6.460 -17.156 -5.723 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -5.731 -16.543 -8.574 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -5.990 -18.108 -7.830 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -8.434 -18.371 -6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.460 -15.674 -9.889 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.835 -18.240 -7.296 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -9.864 -15.532 -10.497 1.00 -0.26 H new ATOM 0 HH TYR A 82 -11.936 -16.195 -10.038 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.758 -15.716 -7.016 1.00 -0.46 N ATOM 1320 CA LYS A 83 -2.353 -15.412 -6.781 1.00 0.04 C ATOM 1321 C LYS A 83 -2.252 -14.122 -5.957 1.00 0.62 C ATOM 1322 O LYS A 83 -3.037 -13.201 -6.183 1.00 -0.50 O ATOM 1323 CB LYS A 83 -1.581 -15.312 -8.108 1.00 -0.10 C ATOM 1324 CG LYS A 83 -2.142 -14.270 -9.088 1.00 -0.16 C ATOM 1325 CD LYS A 83 -1.203 -14.034 -10.278 1.00 -0.18 C ATOM 1326 CE LYS A 83 -1.058 -15.272 -11.171 1.00 -0.04 C ATOM 1327 NZ LYS A 83 -0.277 -14.972 -12.386 1.00 -0.14 N ATOM 0 H LYS A 83 -4.103 -15.382 -7.916 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.892 -16.222 -6.216 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -0.541 -15.068 -7.892 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -1.586 -16.289 -8.592 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -3.113 -14.603 -9.454 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -2.304 -13.329 -8.562 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -1.580 -13.203 -10.874 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 -0.221 -13.741 -9.908 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 -0.571 -16.071 -10.612 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -2.046 -15.637 -11.453 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 -0.197 -15.830 -12.968 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 -0.756 -14.227 -12.931 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 0.674 -14.647 -12.116 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.315 -14.027 -5.000 1.00 -0.23 N ATOM 1342 CA PRO A 84 -1.167 -12.855 -4.154 1.00 0.04 C ATOM 1343 C PRO A 84 -0.463 -11.733 -4.922 1.00 0.53 C ATOM 1344 O PRO A 84 0.764 -11.656 -4.913 1.00 -0.50 O ATOM 1345 CB PRO A 84 -0.360 -13.338 -2.944 1.00 -0.12 C ATOM 1346 CG PRO A 84 0.509 -14.453 -3.526 1.00 -0.12 C ATOM 1347 CD PRO A 84 -0.400 -15.079 -4.585 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.121 -12.435 -3.836 1.00 0.04 H new ATOM 0 HB2 PRO A 84 0.244 -12.537 -2.518 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -1.008 -13.706 -2.149 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 1.428 -14.062 -3.963 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 0.800 -15.177 -2.765 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.181 -15.446 -5.431 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -0.944 -15.931 -4.178 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.235 -10.859 -5.585 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.686 -9.714 -6.300 1.00 0.04 C ATOM 1357 C LYS A 85 -1.638 -8.514 -6.241 1.00 0.62 C ATOM 1358 O LYS A 85 -2.843 -8.656 -6.444 1.00 -0.50 O ATOM 1359 CB LYS A 85 -0.336 -10.107 -7.745 1.00 -0.10 C ATOM 1360 CG LYS A 85 0.620 -9.123 -8.442 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.016 -8.938 -7.816 1.00 -0.18 C ATOM 1362 CE LYS A 85 2.968 -10.141 -7.927 1.00 -0.04 C ATOM 1363 NZ LYS A 85 2.625 -11.254 -7.023 1.00 -0.14 N ATOM 0 H LYS A 85 -2.251 -10.932 -5.636 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.236 -9.405 -5.808 1.00 0.04 H new ATOM 0 HB2 LYS A 85 0.117 -11.099 -7.742 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -1.256 -10.178 -8.325 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 0.752 -9.453 -9.473 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 0.134 -8.148 -8.479 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 2.493 -8.078 -8.286 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 1.890 -8.695 -6.761 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 2.962 -10.504 -8.955 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 3.984 -9.810 -7.712 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 3.455 -11.503 -6.448 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 1.845 -10.966 -6.398 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 2.332 -12.079 -7.584 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.067 -7.335 -5.965 1.00 -0.46 N ATOM 1378 CA LEU A 86 -1.721 -6.034 -5.960 1.00 0.04 C ATOM 1379 C LEU A 86 -0.930 -5.083 -6.855 1.00 0.62 C ATOM 1380 O LEU A 86 0.262 -5.288 -7.084 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.763 -5.484 -4.525 1.00 -0.06 C ATOM 1382 CG LEU A 86 -2.983 -6.003 -3.752 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -2.685 -6.038 -2.252 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -4.183 -5.084 -4.009 1.00 -0.11 C ATOM 0 H LEU A 86 -0.078 -7.267 -5.726 1.00 -0.46 H new ATOM 0 HA LEU A 86 -2.741 -6.129 -6.333 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -0.851 -5.769 -4.000 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.787 -4.395 -4.554 1.00 -0.06 H new ATOM 0 HG LEU A 86 -3.212 -7.013 -4.093 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -3.559 -6.408 -1.716 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -1.838 -6.698 -2.065 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -2.445 -5.033 -1.905 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -5.049 -5.454 -3.459 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -3.946 -4.074 -3.675 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -4.409 -5.070 -5.075 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.607 -4.040 -7.351 1.00 -0.46 N ATOM 1397 CA GLN A 87 -1.019 -2.977 -8.155 1.00 0.04 C ATOM 1398 C GLN A 87 -1.339 -1.620 -7.530 1.00 0.62 C ATOM 1399 O GLN A 87 -0.437 -0.810 -7.328 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.557 -3.050 -9.591 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.046 -4.276 -10.360 1.00 -0.10 C ATOM 1402 CD GLN A 87 0.458 -4.227 -10.638 1.00 0.68 C ATOM 1403 OE1 GLN A 87 1.079 -3.167 -10.593 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 1.052 -5.383 -10.940 1.00 -0.87 N ATOM 0 H GLN A 87 -2.607 -3.915 -7.196 1.00 -0.46 H new ATOM 0 HA GLN A 87 0.063 -3.102 -8.184 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.646 -3.073 -9.564 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -1.270 -2.146 -10.127 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -1.275 -5.176 -9.790 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -1.582 -4.353 -11.306 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 0.507 -6.244 -10.968 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 2.051 -5.405 -11.142 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.622 -1.368 -7.245 1.00 -0.46 N ATOM 1414 CA HIS A 88 -3.107 -0.090 -6.748 1.00 0.04 C ATOM 1415 C HIS A 88 -4.487 -0.284 -6.118 1.00 0.62 C ATOM 1416 O HIS A 88 -5.157 -1.277 -6.397 1.00 -0.50 O ATOM 1417 CB HIS A 88 -3.173 0.909 -7.911 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.418 2.327 -7.471 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.614 3.004 -7.515 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.477 3.175 -6.945 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.395 4.237 -7.034 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -3.108 4.390 -6.672 1.00 -0.50 N ATOM 0 H HIS A 88 -3.359 -2.064 -7.358 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.431 0.302 -5.988 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.238 0.867 -8.469 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.966 0.607 -8.595 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.504 2.636 -7.851 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.436 2.944 -6.773 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -5.150 5.004 -6.949 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.916 0.666 -5.277 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.275 0.724 -4.756 1.00 0.04 C ATOM 1432 C ILE A 89 -6.721 2.186 -4.749 1.00 0.62 C ATOM 1433 O ILE A 89 -5.957 3.064 -4.349 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.378 0.085 -3.353 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.817 -1.351 -3.340 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -7.847 0.106 -2.894 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -5.925 -2.047 -1.981 1.00 -0.09 C ATOM 0 H ILE A 89 -4.318 1.420 -4.940 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.938 0.143 -5.397 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.773 0.667 -2.658 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -6.348 -1.945 -4.084 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -4.770 -1.324 -3.641 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -7.925 -0.344 -1.904 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -8.201 1.136 -2.853 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.457 -0.459 -3.599 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -5.510 -3.052 -2.053 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -5.370 -1.478 -1.235 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.972 -2.108 -1.685 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.958 2.430 -5.199 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.589 3.740 -5.264 1.00 0.04 C ATOM 1451 C ASP A 90 -9.726 3.762 -4.237 1.00 0.62 C ATOM 1452 O ASP A 90 -10.880 3.517 -4.578 1.00 -0.50 O ATOM 1453 CB ASP A 90 -9.079 3.990 -6.699 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.926 4.047 -7.702 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -7.384 2.963 -8.020 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.595 5.170 -8.132 1.00 -0.72 O ATOM 0 H ASP A 90 -8.566 1.685 -5.540 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.893 4.543 -5.021 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.771 3.199 -6.988 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.635 4.927 -6.733 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.387 4.016 -2.967 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.296 3.924 -1.829 1.00 0.04 C ATOM 1463 C PHE A 91 -11.288 5.093 -1.800 1.00 0.62 C ATOM 1464 O PHE A 91 -11.028 6.106 -1.153 1.00 -0.50 O ATOM 1465 CB PHE A 91 -9.485 3.900 -0.525 1.00 -0.10 C ATOM 1466 CG PHE A 91 -8.580 2.703 -0.316 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.082 1.561 0.332 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.198 2.813 -0.562 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -8.206 0.550 0.761 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.327 1.786 -0.161 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -6.831 0.651 0.495 1.00 -0.15 C ATOM 0 H PHE A 91 -8.444 4.299 -2.700 1.00 -0.46 H new ATOM 0 HA PHE A 91 -10.870 3.003 -1.929 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -8.873 4.801 -0.487 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.182 3.952 0.312 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.144 1.461 0.501 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -6.807 3.688 -1.060 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -8.591 -0.306 1.296 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.268 1.869 -0.358 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -6.162 -0.143 0.794 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.448 4.953 -2.451 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.508 5.957 -2.370 1.00 0.04 C ATOM 1483 C VAL A 92 -14.111 5.984 -0.963 1.00 0.62 C ATOM 1484 O VAL A 92 -14.278 4.933 -0.347 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.572 5.709 -3.453 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.391 4.435 -3.205 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -15.518 6.908 -3.591 1.00 -0.09 C ATOM 0 H VAL A 92 -12.674 4.152 -3.040 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.080 6.942 -2.559 1.00 0.04 H new ATOM 0 HB VAL A 92 -14.021 5.573 -4.384 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.125 4.314 -4.002 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -14.726 3.572 -3.190 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -15.905 4.514 -2.247 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -16.258 6.701 -4.364 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -16.025 7.083 -2.642 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -14.945 7.794 -3.865 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.448 7.183 -0.470 1.00 -0.46 N ATOM 1498 CA ARG A 93 -15.177 7.390 0.779 1.00 0.04 C ATOM 1499 C ARG A 93 -16.434 6.518 0.852 1.00 0.62 C ATOM 1500 O ARG A 93 -17.144 6.358 -0.139 1.00 -0.50 O ATOM 1501 CB ARG A 93 -15.586 8.864 0.893 1.00 -0.08 C ATOM 1502 CG ARG A 93 -14.467 9.766 1.421 1.00 -0.10 C ATOM 1503 CD ARG A 93 -14.310 9.674 2.943 1.00 -0.23 C ATOM 1504 NE ARG A 93 -13.452 10.764 3.432 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -13.586 11.414 4.602 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -14.500 11.039 5.509 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -12.788 12.457 4.869 1.00 -0.62 N ATOM 0 H ARG A 93 -14.213 8.055 -0.944 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.518 7.110 1.600 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -15.900 9.223 -0.087 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -16.449 8.944 1.554 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -13.526 9.490 0.944 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -14.675 10.799 1.142 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -15.288 9.729 3.421 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.877 8.711 3.214 1.00 -0.23 H new ATOM 0 HE ARG A 93 -12.683 11.054 2.827 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -15.112 10.246 5.318 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -14.583 11.547 6.389 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -12.088 12.751 4.188 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -12.881 12.957 5.753 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.716 5.983 2.045 1.00 -0.46 N ATOM 1522 CA ALA A 94 -17.924 5.220 2.318 1.00 0.04 C ATOM 1523 C ALA A 94 -19.122 6.162 2.429 1.00 0.62 C ATOM 1524 O ALA A 94 -19.009 7.266 2.959 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.744 4.410 3.605 1.00 -0.10 C ATOM 0 H ALA A 94 -16.100 6.073 2.853 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.110 4.527 1.497 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.651 3.840 3.806 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -16.903 3.726 3.490 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.549 5.087 4.437 1.00 -0.10 H new