USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 hydrogens (34 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 37 ASN : amide:sc= 0.761 K(o=1.5,f=0.55) USER MOD Set 1.2: A 74 SER OG : rot -150:sc= 0.727 USER MOD Set 2.1: A 41 THR OG1 : rot 72:sc= 0.135 USER MOD Set 2.2: A 75 CYS SG : rot -62:sc= -3.53! USER MOD Set 3.1: A 27 THR OG1 : rot 180:sc= 0.117 USER MOD Set 3.2: A 40 HIS : no HD1:sc= 0.644 K(o=0.76,f=-6!) USER MOD Set 4.1: A 33 ASN : amide:sc= 0 X(o=0.75,f=1) USER MOD Set 4.2: A 34 ASN : amide:sc= 0.753 K(o=0.75,f=0) USER MOD Set 5.1: A 3 ASN : amide:sc= 1.15 K(o=1.8,f=-2) USER MOD Set 5.2: A 7 LYS NZ :NH3+ -179:sc= 0.613 (180deg=0.602) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.015 (180deg=-0.277) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.26 (180deg=1.05) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 11 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.7!) USER MOD Single : A 12 LYS NZ :NH3+ -168:sc= 1.17 (180deg=0.849) USER MOD Single : A 14 TYR OH : rot -174:sc= 1.26 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.00335 USER MOD Single : A 50 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.21) USER MOD Single : A 54 LYS NZ :NH3+ -137:sc= 1.22 (180deg=-0.801) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -138:sc= 1.16 (180deg=-0.59) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.265 X(o=0.26,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.066) USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.19) USER MOD Single : A 76 SER OG : rot 180:sc= 0.09 USER MOD Single : A 79 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.02) USER MOD Single : A 80 HIS :FLIP no HD1:sc= -0.023 F(o=-0.57,f=-0.023) USER MOD Single : A 81 MET CE :methyl -164:sc= -0.402 (180deg=-1) USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 2.05 (180deg=1.91) USER MOD Single : A 87 SER OG : rot 180:sc= 0.0653 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.856 USER MOD Single : A 89 GLN : amide:sc= -0.787 X(o=-0.79,f=-0.33) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 99 HIS : no HD1:sc= -0.287 X(o=-0.29,f=0.051) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 ACO O2B : rot 157:sc= -0.722 USER MOD Single : A 103 ACO OAP : rot 180:sc= -0.0318 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.643 0.561 -2.025 1.00 6.95 N ATOM 2 CA MET A 1 24.210 0.241 -0.694 1.00 6.01 C ATOM 3 C MET A 1 23.151 -0.394 0.198 1.00 5.28 C ATOM 4 O MET A 1 21.969 -0.415 -0.146 1.00 5.28 O ATOM 5 CB MET A 1 24.750 1.510 -0.026 1.00 5.80 C ATOM 6 CG MET A 1 26.039 2.031 -0.643 1.00 6.10 C ATOM 7 SD MET A 1 26.418 3.720 -0.131 1.00 6.20 S ATOM 8 CE MET A 1 25.210 4.636 -1.084 1.00 6.73 C ATOM 0 H1 MET A 1 24.365 0.403 -2.757 1.00 6.95 H new ATOM 0 H2 MET A 1 22.823 -0.051 -2.209 1.00 6.95 H new ATOM 0 H3 MET A 1 23.343 1.557 -2.044 1.00 6.95 H new ATOM 0 HA MET A 1 25.028 -0.466 -0.833 1.00 6.01 H new ATOM 0 HB2 MET A 1 23.991 2.290 -0.083 1.00 5.80 H new ATOM 0 HB3 MET A 1 24.921 1.308 1.031 1.00 5.80 H new ATOM 0 HG2 MET A 1 26.863 1.376 -0.361 1.00 6.10 H new ATOM 0 HG3 MET A 1 25.959 1.994 -1.729 1.00 6.10 H new ATOM 0 HE1 MET A 1 25.497 5.687 -1.121 1.00 6.73 H new ATOM 0 HE2 MET A 1 25.166 4.236 -2.097 1.00 6.73 H new ATOM 0 HE3 MET A 1 24.230 4.543 -0.615 1.00 6.73 H new ATOM 20 N SER A 2 23.576 -0.913 1.339 1.00 5.03 N ATOM 21 CA SER A 2 22.666 -1.551 2.276 1.00 4.69 C ATOM 22 C SER A 2 21.888 -0.511 3.085 1.00 3.60 C ATOM 23 O SER A 2 22.229 -0.210 4.232 1.00 3.51 O ATOM 24 CB SER A 2 23.444 -2.478 3.212 1.00 5.46 C ATOM 25 OG SER A 2 24.246 -3.393 2.475 1.00 6.47 O ATOM 0 H SER A 2 24.551 -0.904 1.639 1.00 5.03 H new ATOM 0 HA SER A 2 21.947 -2.140 1.706 1.00 4.69 H new ATOM 0 HB2 SER A 2 24.077 -1.885 3.873 1.00 5.46 H new ATOM 0 HB3 SER A 2 22.748 -3.028 3.846 1.00 5.46 H new ATOM 0 HG SER A 2 24.735 -3.973 3.096 1.00 6.47 H new ATOM 31 N ASN A 3 20.854 0.047 2.473 1.00 3.10 N ATOM 32 CA ASN A 3 20.019 1.042 3.128 1.00 2.27 C ATOM 33 C ASN A 3 18.558 0.804 2.770 1.00 2.15 C ATOM 34 O ASN A 3 18.254 0.234 1.722 1.00 2.83 O ATOM 35 CB ASN A 3 20.435 2.464 2.729 1.00 2.40 C ATOM 36 CG ASN A 3 19.673 3.532 3.499 1.00 2.63 C ATOM 37 OD1 ASN A 3 19.289 3.334 4.652 1.00 2.70 O ATOM 38 ND2 ASN A 3 19.452 4.673 2.869 1.00 3.35 N ATOM 0 H ASN A 3 20.572 -0.174 1.518 1.00 3.10 H new ATOM 0 HA ASN A 3 20.149 0.943 4.206 1.00 2.27 H new ATOM 0 HB2 ASN A 3 21.504 2.589 2.903 1.00 2.40 H new ATOM 0 HB3 ASN A 3 20.267 2.602 1.661 1.00 2.40 H new ATOM 0 HD21 ASN A 3 18.948 5.425 3.338 1.00 3.35 H new ATOM 0 HD22 ASN A 3 19.785 4.801 1.914 1.00 3.35 H new ATOM 45 N LEU A 4 17.664 1.232 3.647 1.00 1.64 N ATOM 46 CA LEU A 4 16.236 1.067 3.435 1.00 1.54 C ATOM 47 C LEU A 4 15.539 2.426 3.478 1.00 1.65 C ATOM 48 O LEU A 4 15.615 3.188 2.511 1.00 2.49 O ATOM 49 CB LEU A 4 15.639 0.104 4.475 1.00 1.47 C ATOM 50 CG LEU A 4 16.460 -0.095 5.755 1.00 1.63 C ATOM 51 CD1 LEU A 4 15.541 -0.332 6.942 1.00 2.06 C ATOM 52 CD2 LEU A 4 17.420 -1.266 5.598 1.00 2.10 C ATOM 0 H LEU A 4 17.906 1.700 4.520 1.00 1.64 H new ATOM 0 HA LEU A 4 16.076 0.630 2.449 1.00 1.54 H new ATOM 0 HB2 LEU A 4 14.651 0.469 4.754 1.00 1.47 H new ATOM 0 HB3 LEU A 4 15.498 -0.868 4.002 1.00 1.47 H new ATOM 0 HG LEU A 4 17.040 0.811 5.933 1.00 1.63 H new ATOM 0 HD11 LEU A 4 16.139 -0.471 7.843 1.00 2.06 H new ATOM 0 HD12 LEU A 4 14.885 0.529 7.072 1.00 2.06 H new ATOM 0 HD13 LEU A 4 14.939 -1.223 6.764 1.00 2.06 H new ATOM 0 HD21 LEU A 4 17.994 -1.392 6.516 1.00 2.10 H new ATOM 0 HD22 LEU A 4 16.854 -2.176 5.396 1.00 2.10 H new ATOM 0 HD23 LEU A 4 18.100 -1.070 4.769 1.00 2.10 H new ATOM 64 N GLU A 5 14.895 2.730 4.609 1.00 1.13 N ATOM 65 CA GLU A 5 14.175 3.994 4.810 1.00 1.19 C ATOM 66 C GLU A 5 12.941 4.096 3.916 1.00 1.05 C ATOM 67 O GLU A 5 12.978 3.753 2.733 1.00 1.01 O ATOM 68 CB GLU A 5 15.086 5.199 4.563 1.00 1.48 C ATOM 69 CG GLU A 5 16.335 5.212 5.426 1.00 1.61 C ATOM 70 CD GLU A 5 17.279 6.325 5.040 1.00 2.22 C ATOM 71 OE1 GLU A 5 17.569 6.474 3.834 1.00 2.91 O ATOM 72 OE2 GLU A 5 17.726 7.063 5.938 1.00 2.57 O ATOM 0 H GLU A 5 14.857 2.105 5.414 1.00 1.13 H new ATOM 0 HA GLU A 5 13.848 4.002 5.850 1.00 1.19 H new ATOM 0 HB2 GLU A 5 15.381 5.210 3.514 1.00 1.48 H new ATOM 0 HB3 GLU A 5 14.521 6.113 4.745 1.00 1.48 H new ATOM 0 HG2 GLU A 5 16.051 5.324 6.472 1.00 1.61 H new ATOM 0 HG3 GLU A 5 16.848 4.254 5.336 1.00 1.61 H new ATOM 79 N ILE A 6 11.849 4.575 4.488 1.00 1.00 N ATOM 80 CA ILE A 6 10.611 4.739 3.745 1.00 0.88 C ATOM 81 C ILE A 6 10.640 6.056 2.985 1.00 0.86 C ATOM 82 O ILE A 6 10.115 7.071 3.454 1.00 0.90 O ATOM 83 CB ILE A 6 9.369 4.714 4.661 1.00 0.86 C ATOM 84 CG1 ILE A 6 9.514 3.633 5.733 1.00 0.94 C ATOM 85 CG2 ILE A 6 8.110 4.481 3.836 1.00 0.79 C ATOM 86 CD1 ILE A 6 8.411 3.659 6.766 1.00 0.92 C ATOM 0 H ILE A 6 11.795 4.858 5.467 1.00 1.00 H new ATOM 0 HA ILE A 6 10.535 3.899 3.055 1.00 0.88 H new ATOM 0 HB ILE A 6 9.285 5.680 5.158 1.00 0.86 H new ATOM 0 HG12 ILE A 6 9.528 2.655 5.252 1.00 0.94 H new ATOM 0 HG13 ILE A 6 10.474 3.756 6.234 1.00 0.94 H new ATOM 0 HG21 ILE A 6 7.241 4.466 4.494 1.00 0.79 H new ATOM 0 HG22 ILE A 6 7.999 5.284 3.107 1.00 0.79 H new ATOM 0 HG23 ILE A 6 8.188 3.527 3.315 1.00 0.79 H new ATOM 0 HD11 ILE A 6 8.577 2.866 7.495 1.00 0.92 H new ATOM 0 HD12 ILE A 6 8.410 4.624 7.273 1.00 0.92 H new ATOM 0 HD13 ILE A 6 7.450 3.506 6.276 1.00 0.92 H new ATOM 98 N LYS A 7 11.287 6.042 1.833 1.00 0.86 N ATOM 99 CA LYS A 7 11.396 7.230 1.006 1.00 0.89 C ATOM 100 C LYS A 7 10.044 7.538 0.371 1.00 0.79 C ATOM 101 O LYS A 7 9.419 6.663 -0.229 1.00 0.74 O ATOM 102 CB LYS A 7 12.458 7.031 -0.081 1.00 0.99 C ATOM 103 CG LYS A 7 13.727 6.334 0.398 1.00 1.10 C ATOM 104 CD LYS A 7 14.759 7.322 0.917 1.00 1.61 C ATOM 105 CE LYS A 7 16.174 6.890 0.563 1.00 1.77 C ATOM 106 NZ LYS A 7 16.654 5.773 1.420 1.00 2.23 N ATOM 0 H LYS A 7 11.747 5.217 1.448 1.00 0.86 H new ATOM 0 HA LYS A 7 11.698 8.070 1.632 1.00 0.89 H new ATOM 0 HB2 LYS A 7 12.024 6.450 -0.894 1.00 0.99 H new ATOM 0 HB3 LYS A 7 12.726 8.004 -0.493 1.00 0.99 H new ATOM 0 HG2 LYS A 7 13.475 5.625 1.187 1.00 1.10 H new ATOM 0 HG3 LYS A 7 14.156 5.759 -0.422 1.00 1.10 H new ATOM 0 HD2 LYS A 7 14.563 8.308 0.497 1.00 1.61 H new ATOM 0 HD3 LYS A 7 14.665 7.412 1.999 1.00 1.61 H new ATOM 0 HE2 LYS A 7 16.207 6.583 -0.482 1.00 1.77 H new ATOM 0 HE3 LYS A 7 16.848 7.740 0.667 1.00 1.77 H new ATOM 0 HZ1 LYS A 7 17.628 5.525 1.153 1.00 2.23 H new ATOM 0 HZ2 LYS A 7 16.632 6.067 2.417 1.00 2.23 H new ATOM 0 HZ3 LYS A 7 16.038 4.946 1.289 1.00 2.23 H new ATOM 120 N GLN A 8 9.586 8.767 0.517 1.00 0.81 N ATOM 121 CA GLN A 8 8.306 9.162 -0.050 1.00 0.78 C ATOM 122 C GLN A 8 8.508 10.113 -1.220 1.00 0.90 C ATOM 123 O GLN A 8 9.134 11.166 -1.087 1.00 1.15 O ATOM 124 CB GLN A 8 7.410 9.802 1.012 1.00 0.93 C ATOM 125 CG GLN A 8 8.086 10.915 1.791 1.00 1.29 C ATOM 126 CD GLN A 8 7.243 11.423 2.947 1.00 1.76 C ATOM 127 OE1 GLN A 8 6.013 11.424 2.882 1.00 2.52 O ATOM 128 NE2 GLN A 8 7.896 11.848 4.017 1.00 1.94 N ATOM 0 H GLN A 8 10.076 9.507 1.020 1.00 0.81 H new ATOM 0 HA GLN A 8 7.809 8.264 -0.416 1.00 0.78 H new ATOM 0 HB2 GLN A 8 6.517 10.199 0.530 1.00 0.93 H new ATOM 0 HB3 GLN A 8 7.080 9.031 1.709 1.00 0.93 H new ATOM 0 HG2 GLN A 8 9.041 10.555 2.175 1.00 1.29 H new ATOM 0 HG3 GLN A 8 8.305 11.743 1.116 1.00 1.29 H new ATOM 0 HE21 GLN A 8 8.916 11.831 4.032 1.00 1.94 H new ATOM 0 HE22 GLN A 8 7.379 12.192 4.826 1.00 1.94 H new ATOM 137 N GLY A 9 7.995 9.717 -2.367 1.00 0.87 N ATOM 138 CA GLY A 9 8.110 10.526 -3.559 1.00 1.04 C ATOM 139 C GLY A 9 7.034 10.193 -4.567 1.00 0.71 C ATOM 140 O GLY A 9 6.646 9.034 -4.682 1.00 0.83 O ATOM 0 H GLY A 9 7.494 8.838 -2.497 1.00 0.87 H new ATOM 0 HA2 GLY A 9 8.044 11.580 -3.291 1.00 1.04 H new ATOM 0 HA3 GLY A 9 9.091 10.373 -4.010 1.00 1.04 H new ATOM 144 N GLU A 10 6.566 11.214 -5.293 1.00 1.04 N ATOM 145 CA GLU A 10 5.519 11.082 -6.321 1.00 0.82 C ATOM 146 C GLU A 10 4.366 10.169 -5.885 1.00 0.70 C ATOM 147 O GLU A 10 3.948 9.278 -6.632 1.00 0.72 O ATOM 148 CB GLU A 10 6.110 10.613 -7.667 1.00 0.79 C ATOM 149 CG GLU A 10 6.943 9.342 -7.593 1.00 1.82 C ATOM 150 CD GLU A 10 7.290 8.786 -8.955 1.00 2.48 C ATOM 151 OE1 GLU A 10 7.934 9.502 -9.750 1.00 3.19 O ATOM 152 OE2 GLU A 10 6.922 7.624 -9.236 1.00 2.65 O ATOM 0 H GLU A 10 6.906 12.169 -5.184 1.00 1.04 H new ATOM 0 HA GLU A 10 5.098 12.078 -6.456 1.00 0.82 H new ATOM 0 HB2 GLU A 10 5.293 10.454 -8.370 1.00 0.79 H new ATOM 0 HB3 GLU A 10 6.729 11.413 -8.074 1.00 0.79 H new ATOM 0 HG2 GLU A 10 7.863 9.548 -7.045 1.00 1.82 H new ATOM 0 HG3 GLU A 10 6.396 8.588 -7.027 1.00 1.82 H new ATOM 159 N ASN A 11 3.849 10.413 -4.675 1.00 0.63 N ATOM 160 CA ASN A 11 2.736 9.637 -4.111 1.00 0.59 C ATOM 161 C ASN A 11 3.083 8.157 -4.057 1.00 0.47 C ATOM 162 O ASN A 11 2.231 7.290 -4.261 1.00 0.44 O ATOM 163 CB ASN A 11 1.454 9.840 -4.927 1.00 0.71 C ATOM 164 CG ASN A 11 0.744 11.139 -4.601 1.00 0.73 C ATOM 165 OD1 ASN A 11 0.846 11.662 -3.489 1.00 1.10 O ATOM 166 ND2 ASN A 11 0.028 11.674 -5.573 1.00 1.38 N ATOM 0 H ASN A 11 4.189 11.152 -4.060 1.00 0.63 H new ATOM 0 HA ASN A 11 2.564 9.997 -3.097 1.00 0.59 H new ATOM 0 HB2 ASN A 11 1.699 9.823 -5.989 1.00 0.71 H new ATOM 0 HB3 ASN A 11 0.777 9.006 -4.743 1.00 0.71 H new ATOM 0 HD21 ASN A 11 -0.467 12.552 -5.418 1.00 1.38 H new ATOM 0 HD22 ASN A 11 -0.030 11.209 -6.479 1.00 1.38 H new ATOM 173 N LYS A 12 4.339 7.878 -3.763 1.00 0.45 N ATOM 174 CA LYS A 12 4.821 6.516 -3.696 1.00 0.43 C ATOM 175 C LYS A 12 5.816 6.341 -2.559 1.00 0.46 C ATOM 176 O LYS A 12 6.767 7.113 -2.423 1.00 0.55 O ATOM 177 CB LYS A 12 5.475 6.150 -5.032 1.00 0.50 C ATOM 178 CG LYS A 12 6.437 4.972 -4.962 1.00 0.65 C ATOM 179 CD LYS A 12 7.206 4.805 -6.262 1.00 0.59 C ATOM 180 CE LYS A 12 8.247 5.901 -6.440 1.00 0.73 C ATOM 181 NZ LYS A 12 8.720 5.996 -7.843 1.00 0.94 N ATOM 0 H LYS A 12 5.047 8.585 -3.566 1.00 0.45 H new ATOM 0 HA LYS A 12 3.977 5.853 -3.503 1.00 0.43 H new ATOM 0 HB2 LYS A 12 4.692 5.921 -5.755 1.00 0.50 H new ATOM 0 HB3 LYS A 12 6.013 7.020 -5.409 1.00 0.50 H new ATOM 0 HG2 LYS A 12 7.137 5.121 -4.140 1.00 0.65 H new ATOM 0 HG3 LYS A 12 5.882 4.059 -4.746 1.00 0.65 H new ATOM 0 HD2 LYS A 12 7.696 3.831 -6.273 1.00 0.59 H new ATOM 0 HD3 LYS A 12 6.511 4.822 -7.102 1.00 0.59 H new ATOM 0 HE2 LYS A 12 7.822 6.857 -6.135 1.00 0.73 H new ATOM 0 HE3 LYS A 12 9.095 5.705 -5.784 1.00 0.73 H new ATOM 0 HZ1 LYS A 12 9.563 6.604 -7.885 1.00 0.94 H new ATOM 0 HZ2 LYS A 12 8.960 5.047 -8.193 1.00 0.94 H new ATOM 0 HZ3 LYS A 12 7.969 6.404 -8.436 1.00 0.94 H new ATOM 195 N PHE A 13 5.583 5.335 -1.736 1.00 0.46 N ATOM 196 CA PHE A 13 6.479 5.028 -0.641 1.00 0.50 C ATOM 197 C PHE A 13 7.399 3.908 -1.090 1.00 0.50 C ATOM 198 O PHE A 13 6.950 2.782 -1.310 1.00 0.46 O ATOM 199 CB PHE A 13 5.706 4.604 0.613 1.00 0.51 C ATOM 200 CG PHE A 13 4.948 5.717 1.273 1.00 0.53 C ATOM 201 CD1 PHE A 13 5.615 6.714 1.966 1.00 0.63 C ATOM 202 CD2 PHE A 13 3.566 5.760 1.212 1.00 0.54 C ATOM 203 CE1 PHE A 13 4.917 7.735 2.581 1.00 0.69 C ATOM 204 CE2 PHE A 13 2.863 6.777 1.827 1.00 0.59 C ATOM 205 CZ PHE A 13 3.540 7.767 2.512 1.00 0.65 C ATOM 0 H PHE A 13 4.776 4.715 -1.808 1.00 0.46 H new ATOM 0 HA PHE A 13 7.052 5.918 -0.381 1.00 0.50 H new ATOM 0 HB2 PHE A 13 5.007 3.812 0.345 1.00 0.51 H new ATOM 0 HB3 PHE A 13 6.407 4.180 1.332 1.00 0.51 H new ATOM 0 HD1 PHE A 13 6.693 6.693 2.026 1.00 0.63 H new ATOM 0 HD2 PHE A 13 3.031 4.989 0.677 1.00 0.54 H new ATOM 0 HE1 PHE A 13 5.449 8.508 3.116 1.00 0.69 H new ATOM 0 HE2 PHE A 13 1.785 6.798 1.772 1.00 0.59 H new ATOM 0 HZ PHE A 13 2.992 8.564 2.992 1.00 0.65 H new ATOM 215 N TYR A 14 8.667 4.222 -1.270 1.00 0.60 N ATOM 216 CA TYR A 14 9.625 3.233 -1.719 1.00 0.64 C ATOM 217 C TYR A 14 10.779 3.099 -0.740 1.00 0.69 C ATOM 218 O TYR A 14 11.493 4.058 -0.451 1.00 0.75 O ATOM 219 CB TYR A 14 10.133 3.563 -3.135 1.00 0.67 C ATOM 220 CG TYR A 14 10.759 4.938 -3.292 1.00 0.78 C ATOM 221 CD1 TYR A 14 9.973 6.082 -3.383 1.00 0.79 C ATOM 222 CD2 TYR A 14 12.139 5.085 -3.362 1.00 0.93 C ATOM 223 CE1 TYR A 14 10.545 7.331 -3.531 1.00 0.92 C ATOM 224 CE2 TYR A 14 12.718 6.329 -3.511 1.00 1.04 C ATOM 225 CZ TYR A 14 11.916 7.450 -3.595 1.00 1.03 C ATOM 226 OH TYR A 14 12.489 8.695 -3.745 1.00 1.16 O ATOM 0 H TYR A 14 9.056 5.152 -1.113 1.00 0.60 H new ATOM 0 HA TYR A 14 9.116 2.270 -1.761 1.00 0.64 H new ATOM 0 HB2 TYR A 14 10.867 2.812 -3.425 1.00 0.67 H new ATOM 0 HB3 TYR A 14 9.299 3.479 -3.832 1.00 0.67 H new ATOM 0 HD1 TYR A 14 8.898 5.992 -3.337 1.00 0.79 H new ATOM 0 HD2 TYR A 14 12.770 4.210 -3.299 1.00 0.93 H new ATOM 0 HE1 TYR A 14 9.920 8.210 -3.596 1.00 0.92 H new ATOM 0 HE2 TYR A 14 13.793 6.425 -3.562 1.00 1.04 H new ATOM 0 HH TYR A 14 13.456 8.597 -3.868 1.00 1.16 H new ATOM 236 N ILE A 15 10.932 1.905 -0.206 1.00 0.71 N ATOM 237 CA ILE A 15 12.003 1.618 0.721 1.00 0.78 C ATOM 238 C ILE A 15 13.200 1.107 -0.060 1.00 0.92 C ATOM 239 O ILE A 15 13.140 0.033 -0.649 1.00 0.92 O ATOM 240 CB ILE A 15 11.586 0.567 1.775 1.00 0.73 C ATOM 241 CG1 ILE A 15 10.599 1.175 2.770 1.00 0.67 C ATOM 242 CG2 ILE A 15 12.808 0.023 2.503 1.00 0.80 C ATOM 243 CD1 ILE A 15 10.188 0.226 3.877 1.00 0.71 C ATOM 0 H ILE A 15 10.321 1.112 -0.402 1.00 0.71 H new ATOM 0 HA ILE A 15 12.252 2.536 1.253 1.00 0.78 H new ATOM 0 HB ILE A 15 11.097 -0.260 1.261 1.00 0.73 H new ATOM 0 HG12 ILE A 15 11.046 2.065 3.214 1.00 0.67 H new ATOM 0 HG13 ILE A 15 9.708 1.500 2.232 1.00 0.67 H new ATOM 0 HG21 ILE A 15 12.493 -0.715 3.241 1.00 0.80 H new ATOM 0 HG22 ILE A 15 13.481 -0.446 1.785 1.00 0.80 H new ATOM 0 HG23 ILE A 15 13.326 0.840 3.005 1.00 0.80 H new ATOM 0 HD11 ILE A 15 9.487 0.727 4.544 1.00 0.71 H new ATOM 0 HD12 ILE A 15 9.712 -0.654 3.444 1.00 0.71 H new ATOM 0 HD13 ILE A 15 11.070 -0.079 4.440 1.00 0.71 H new ATOM 255 N GLY A 16 14.268 1.883 -0.087 1.00 1.09 N ATOM 256 CA GLY A 16 15.453 1.473 -0.810 1.00 1.26 C ATOM 257 C GLY A 16 16.536 2.521 -0.769 1.00 1.42 C ATOM 258 O GLY A 16 16.323 3.626 -0.268 1.00 1.52 O ATOM 0 H GLY A 16 14.338 2.789 0.377 1.00 1.09 H new ATOM 0 HA2 GLY A 16 15.833 0.544 -0.385 1.00 1.26 H new ATOM 0 HA3 GLY A 16 15.190 1.265 -1.847 1.00 1.26 H new ATOM 262 N ASP A 17 17.696 2.182 -1.307 1.00 1.55 N ATOM 263 CA ASP A 17 18.830 3.095 -1.318 1.00 1.74 C ATOM 264 C ASP A 17 18.787 4.012 -2.538 1.00 1.66 C ATOM 265 O ASP A 17 19.487 5.024 -2.599 1.00 1.78 O ATOM 266 CB ASP A 17 20.139 2.302 -1.297 1.00 1.95 C ATOM 267 CG ASP A 17 21.362 3.190 -1.175 1.00 2.20 C ATOM 268 OD1 ASP A 17 21.309 4.193 -0.429 1.00 2.62 O ATOM 269 OD2 ASP A 17 22.383 2.884 -1.825 1.00 2.14 O ATOM 0 H ASP A 17 17.879 1.278 -1.744 1.00 1.55 H new ATOM 0 HA ASP A 17 18.775 3.719 -0.426 1.00 1.74 H new ATOM 0 HB2 ASP A 17 20.120 1.601 -0.463 1.00 1.95 H new ATOM 0 HB3 ASP A 17 20.215 1.710 -2.209 1.00 1.95 H new ATOM 274 N ASP A 18 17.949 3.669 -3.503 1.00 1.53 N ATOM 275 CA ASP A 18 17.828 4.469 -4.714 1.00 1.48 C ATOM 276 C ASP A 18 16.464 4.265 -5.356 1.00 1.37 C ATOM 277 O ASP A 18 15.798 3.265 -5.092 1.00 1.29 O ATOM 278 CB ASP A 18 18.935 4.102 -5.710 1.00 1.53 C ATOM 279 CG ASP A 18 18.951 5.019 -6.912 1.00 1.47 C ATOM 280 OD1 ASP A 18 19.514 6.126 -6.810 1.00 1.60 O ATOM 281 OD2 ASP A 18 18.386 4.649 -7.957 1.00 1.41 O ATOM 0 H ASP A 18 17.345 2.847 -3.473 1.00 1.53 H new ATOM 0 HA ASP A 18 17.932 5.519 -4.441 1.00 1.48 H new ATOM 0 HB2 ASP A 18 19.902 4.147 -5.208 1.00 1.53 H new ATOM 0 HB3 ASP A 18 18.796 3.073 -6.042 1.00 1.53 H new ATOM 286 N GLU A 19 16.053 5.213 -6.192 1.00 1.41 N ATOM 287 CA GLU A 19 14.773 5.129 -6.887 1.00 1.38 C ATOM 288 C GLU A 19 14.755 3.934 -7.835 1.00 1.34 C ATOM 289 O GLU A 19 13.699 3.380 -8.131 1.00 1.34 O ATOM 290 CB GLU A 19 14.498 6.415 -7.673 1.00 1.49 C ATOM 291 CG GLU A 19 14.045 7.586 -6.812 1.00 1.76 C ATOM 292 CD GLU A 19 15.154 8.146 -5.948 1.00 2.08 C ATOM 293 OE1 GLU A 19 16.316 8.167 -6.402 1.00 2.43 O ATOM 294 OE2 GLU A 19 14.871 8.571 -4.810 1.00 2.72 O ATOM 0 H GLU A 19 16.591 6.053 -6.405 1.00 1.41 H new ATOM 0 HA GLU A 19 13.992 5.000 -6.138 1.00 1.38 H new ATOM 0 HB2 GLU A 19 15.403 6.701 -8.209 1.00 1.49 H new ATOM 0 HB3 GLU A 19 13.734 6.213 -8.423 1.00 1.49 H new ATOM 0 HG2 GLU A 19 13.659 8.376 -7.456 1.00 1.76 H new ATOM 0 HG3 GLU A 19 13.222 7.264 -6.174 1.00 1.76 H new ATOM 301 N ASN A 20 15.929 3.541 -8.316 1.00 1.37 N ATOM 302 CA ASN A 20 16.039 2.406 -9.219 1.00 1.39 C ATOM 303 C ASN A 20 16.429 1.155 -8.446 1.00 1.40 C ATOM 304 O ASN A 20 16.647 0.090 -9.025 1.00 1.52 O ATOM 305 CB ASN A 20 17.079 2.683 -10.303 1.00 1.48 C ATOM 306 CG ASN A 20 16.495 2.619 -11.698 1.00 2.08 C ATOM 307 OD1 ASN A 20 16.000 3.617 -12.219 1.00 2.92 O ATOM 308 ND2 ASN A 20 16.545 1.448 -12.315 1.00 2.15 N ATOM 0 H ASN A 20 16.816 3.993 -8.095 1.00 1.37 H new ATOM 0 HA ASN A 20 15.069 2.249 -9.691 1.00 1.39 H new ATOM 0 HB2 ASN A 20 17.515 3.669 -10.140 1.00 1.48 H new ATOM 0 HB3 ASN A 20 17.889 1.958 -10.218 1.00 1.48 H new ATOM 0 HD21 ASN A 20 16.164 1.351 -13.256 1.00 2.15 H new ATOM 0 HD22 ASN A 20 16.964 0.643 -11.849 1.00 2.15 H new ATOM 315 N ASN A 21 16.510 1.291 -7.133 1.00 1.36 N ATOM 316 CA ASN A 21 16.884 0.181 -6.270 1.00 1.38 C ATOM 317 C ASN A 21 15.983 0.140 -5.042 1.00 1.25 C ATOM 318 O ASN A 21 16.457 0.197 -3.905 1.00 1.23 O ATOM 319 CB ASN A 21 18.347 0.314 -5.837 1.00 1.54 C ATOM 320 CG ASN A 21 18.987 -1.024 -5.507 1.00 1.92 C ATOM 321 OD1 ASN A 21 18.315 -1.975 -5.103 1.00 2.21 O ATOM 322 ND2 ASN A 21 20.296 -1.103 -5.677 1.00 2.45 N ATOM 0 H ASN A 21 16.321 2.163 -6.639 1.00 1.36 H new ATOM 0 HA ASN A 21 16.763 -0.747 -6.829 1.00 1.38 H new ATOM 0 HB2 ASN A 21 18.914 0.797 -6.633 1.00 1.54 H new ATOM 0 HB3 ASN A 21 18.405 0.965 -4.964 1.00 1.54 H new ATOM 0 HD21 ASN A 21 20.785 -1.974 -5.472 1.00 2.45 H new ATOM 0 HD22 ASN A 21 20.816 -0.293 -6.013 1.00 2.45 H new ATOM 329 N ALA A 22 14.683 0.080 -5.275 1.00 1.19 N ATOM 330 CA ALA A 22 13.726 0.023 -4.186 1.00 1.09 C ATOM 331 C ALA A 22 13.445 -1.422 -3.806 1.00 1.06 C ATOM 332 O ALA A 22 13.119 -2.245 -4.661 1.00 1.14 O ATOM 333 CB ALA A 22 12.437 0.736 -4.564 1.00 1.04 C ATOM 0 H ALA A 22 14.268 0.070 -6.207 1.00 1.19 H new ATOM 0 HA ALA A 22 14.155 0.532 -3.323 1.00 1.09 H new ATOM 0 HB1 ALA A 22 11.734 0.681 -3.733 1.00 1.04 H new ATOM 0 HB2 ALA A 22 12.652 1.781 -4.789 1.00 1.04 H new ATOM 0 HB3 ALA A 22 12.001 0.258 -5.441 1.00 1.04 H new ATOM 339 N LEU A 23 13.583 -1.722 -2.526 1.00 0.99 N ATOM 340 CA LEU A 23 13.340 -3.063 -2.018 1.00 0.99 C ATOM 341 C LEU A 23 11.840 -3.313 -1.958 1.00 0.87 C ATOM 342 O LEU A 23 11.379 -4.452 -1.966 1.00 0.95 O ATOM 343 CB LEU A 23 13.954 -3.227 -0.622 1.00 1.05 C ATOM 344 CG LEU A 23 15.344 -2.613 -0.434 1.00 1.25 C ATOM 345 CD1 LEU A 23 15.733 -2.625 1.038 1.00 1.39 C ATOM 346 CD2 LEU A 23 16.378 -3.352 -1.271 1.00 1.37 C ATOM 0 H LEU A 23 13.865 -1.049 -1.813 1.00 0.99 H new ATOM 0 HA LEU A 23 13.806 -3.787 -2.686 1.00 0.99 H new ATOM 0 HB2 LEU A 23 13.278 -2.781 0.107 1.00 1.05 H new ATOM 0 HB3 LEU A 23 14.013 -4.291 -0.393 1.00 1.05 H new ATOM 0 HG LEU A 23 15.313 -1.578 -0.774 1.00 1.25 H new ATOM 0 HD11 LEU A 23 16.723 -2.185 1.156 1.00 1.39 H new ATOM 0 HD12 LEU A 23 15.008 -2.046 1.611 1.00 1.39 H new ATOM 0 HD13 LEU A 23 15.746 -3.652 1.403 1.00 1.39 H new ATOM 0 HD21 LEU A 23 17.358 -2.899 -1.122 1.00 1.37 H new ATOM 0 HD22 LEU A 23 16.412 -4.398 -0.967 1.00 1.37 H new ATOM 0 HD23 LEU A 23 16.106 -3.289 -2.325 1.00 1.37 H new ATOM 358 N ALA A 24 11.086 -2.226 -1.886 1.00 0.77 N ATOM 359 CA ALA A 24 9.634 -2.293 -1.841 1.00 0.66 C ATOM 360 C ALA A 24 9.037 -0.936 -2.168 1.00 0.60 C ATOM 361 O ALA A 24 9.513 0.085 -1.676 1.00 0.67 O ATOM 362 CB ALA A 24 9.166 -2.761 -0.474 1.00 0.71 C ATOM 0 H ALA A 24 11.461 -1.278 -1.857 1.00 0.77 H new ATOM 0 HA ALA A 24 9.295 -3.013 -2.586 1.00 0.66 H new ATOM 0 HB1 ALA A 24 8.077 -2.805 -0.458 1.00 0.71 H new ATOM 0 HB2 ALA A 24 9.573 -3.751 -0.270 1.00 0.71 H new ATOM 0 HB3 ALA A 24 9.512 -2.062 0.288 1.00 0.71 H new ATOM 368 N GLU A 25 8.005 -0.917 -2.999 1.00 0.54 N ATOM 369 CA GLU A 25 7.368 0.334 -3.376 1.00 0.52 C ATOM 370 C GLU A 25 5.851 0.187 -3.454 1.00 0.43 C ATOM 371 O GLU A 25 5.328 -0.760 -4.050 1.00 0.45 O ATOM 372 CB GLU A 25 7.919 0.842 -4.715 1.00 0.65 C ATOM 373 CG GLU A 25 7.603 -0.063 -5.895 1.00 0.84 C ATOM 374 CD GLU A 25 7.754 0.636 -7.228 1.00 0.87 C ATOM 375 OE1 GLU A 25 6.826 1.368 -7.621 1.00 1.02 O ATOM 376 OE2 GLU A 25 8.795 0.444 -7.896 1.00 1.33 O ATOM 0 H GLU A 25 7.594 -1.749 -3.422 1.00 0.54 H new ATOM 0 HA GLU A 25 7.598 1.065 -2.600 1.00 0.52 H new ATOM 0 HB2 GLU A 25 7.512 1.834 -4.911 1.00 0.65 H new ATOM 0 HB3 GLU A 25 9.000 0.952 -4.633 1.00 0.65 H new ATOM 0 HG2 GLU A 25 8.262 -0.930 -5.868 1.00 0.84 H new ATOM 0 HG3 GLU A 25 6.583 -0.435 -5.799 1.00 0.84 H new ATOM 383 N ILE A 26 5.153 1.117 -2.829 1.00 0.40 N ATOM 384 CA ILE A 26 3.702 1.126 -2.847 1.00 0.33 C ATOM 385 C ILE A 26 3.225 2.453 -3.426 1.00 0.33 C ATOM 386 O ILE A 26 3.678 3.522 -3.009 1.00 0.38 O ATOM 387 CB ILE A 26 3.096 0.895 -1.437 1.00 0.34 C ATOM 388 CG1 ILE A 26 1.565 0.854 -1.502 1.00 0.30 C ATOM 389 CG2 ILE A 26 3.553 1.969 -0.459 1.00 0.41 C ATOM 390 CD1 ILE A 26 0.911 0.421 -0.206 1.00 0.34 C ATOM 0 H ILE A 26 5.571 1.881 -2.299 1.00 0.40 H new ATOM 0 HA ILE A 26 3.360 0.301 -3.471 1.00 0.33 H new ATOM 0 HB ILE A 26 3.455 -0.069 -1.077 1.00 0.34 H new ATOM 0 HG12 ILE A 26 1.195 1.843 -1.772 1.00 0.30 H new ATOM 0 HG13 ILE A 26 1.262 0.172 -2.297 1.00 0.30 H new ATOM 0 HG21 ILE A 26 3.112 1.781 0.520 1.00 0.41 H new ATOM 0 HG22 ILE A 26 4.640 1.949 -0.378 1.00 0.41 H new ATOM 0 HG23 ILE A 26 3.234 2.948 -0.818 1.00 0.41 H new ATOM 0 HD11 ILE A 26 -0.172 0.416 -0.329 1.00 0.34 H new ATOM 0 HD12 ILE A 26 1.251 -0.581 0.056 1.00 0.34 H new ATOM 0 HD13 ILE A 26 1.183 1.116 0.589 1.00 0.34 H new ATOM 402 N THR A 27 2.341 2.392 -4.407 1.00 0.33 N ATOM 403 CA THR A 27 1.849 3.600 -5.042 1.00 0.35 C ATOM 404 C THR A 27 0.360 3.788 -4.801 1.00 0.37 C ATOM 405 O THR A 27 -0.421 2.840 -4.888 1.00 0.41 O ATOM 406 CB THR A 27 2.128 3.590 -6.560 1.00 0.40 C ATOM 407 OG1 THR A 27 1.438 2.499 -7.191 1.00 0.60 O ATOM 408 CG2 THR A 27 3.617 3.465 -6.834 1.00 0.51 C ATOM 0 H THR A 27 1.952 1.525 -4.778 1.00 0.33 H new ATOM 0 HA THR A 27 2.385 4.435 -4.590 1.00 0.35 H new ATOM 0 HB THR A 27 1.768 4.533 -6.971 1.00 0.40 H new ATOM 0 HG1 THR A 27 1.624 2.507 -8.153 1.00 0.60 H new ATOM 0 HG21 THR A 27 3.790 3.460 -7.910 1.00 0.51 H new ATOM 0 HG22 THR A 27 4.141 4.309 -6.386 1.00 0.51 H new ATOM 0 HG23 THR A 27 3.990 2.536 -6.402 1.00 0.51 H new ATOM 416 N TYR A 28 -0.027 5.014 -4.494 1.00 0.39 N ATOM 417 CA TYR A 28 -1.422 5.339 -4.250 1.00 0.45 C ATOM 418 C TYR A 28 -1.771 6.622 -4.986 1.00 0.48 C ATOM 419 O TYR A 28 -0.999 7.581 -4.979 1.00 0.68 O ATOM 420 CB TYR A 28 -1.712 5.473 -2.744 1.00 0.48 C ATOM 421 CG TYR A 28 -0.911 6.548 -2.040 1.00 0.49 C ATOM 422 CD1 TYR A 28 0.419 6.342 -1.693 1.00 0.51 C ATOM 423 CD2 TYR A 28 -1.488 7.771 -1.720 1.00 0.59 C ATOM 424 CE1 TYR A 28 1.147 7.321 -1.049 1.00 0.60 C ATOM 425 CE2 TYR A 28 -0.764 8.755 -1.075 1.00 0.66 C ATOM 426 CZ TYR A 28 0.553 8.524 -0.743 1.00 0.65 C ATOM 427 OH TYR A 28 1.280 9.500 -0.100 1.00 0.76 O ATOM 0 H TYR A 28 0.610 5.806 -4.407 1.00 0.39 H new ATOM 0 HA TYR A 28 -2.045 4.526 -4.624 1.00 0.45 H new ATOM 0 HB2 TYR A 28 -2.773 5.682 -2.609 1.00 0.48 H new ATOM 0 HB3 TYR A 28 -1.512 4.516 -2.263 1.00 0.48 H new ATOM 0 HD1 TYR A 28 0.890 5.400 -1.931 1.00 0.51 H new ATOM 0 HD2 TYR A 28 -2.520 7.955 -1.980 1.00 0.59 H new ATOM 0 HE1 TYR A 28 2.179 7.144 -0.786 1.00 0.60 H new ATOM 0 HE2 TYR A 28 -1.228 9.700 -0.832 1.00 0.66 H new ATOM 0 HH TYR A 28 0.715 10.288 0.042 1.00 0.76 H new ATOM 437 N ARG A 29 -2.918 6.634 -5.640 1.00 0.42 N ATOM 438 CA ARG A 29 -3.336 7.803 -6.392 1.00 0.48 C ATOM 439 C ARG A 29 -4.629 8.385 -5.841 1.00 0.48 C ATOM 440 O ARG A 29 -5.526 7.651 -5.419 1.00 0.49 O ATOM 441 CB ARG A 29 -3.502 7.451 -7.870 1.00 0.56 C ATOM 442 CG ARG A 29 -2.198 7.057 -8.545 1.00 0.93 C ATOM 443 CD ARG A 29 -2.390 6.786 -10.028 1.00 1.22 C ATOM 444 NE ARG A 29 -3.078 5.518 -10.274 1.00 1.83 N ATOM 445 CZ ARG A 29 -4.331 5.415 -10.719 1.00 2.81 C ATOM 446 NH1 ARG A 29 -5.051 6.507 -10.960 1.00 3.23 N ATOM 447 NH2 ARG A 29 -4.861 4.218 -10.930 1.00 3.63 N ATOM 0 H ARG A 29 -3.573 5.853 -5.666 1.00 0.42 H new ATOM 0 HA ARG A 29 -2.558 8.560 -6.291 1.00 0.48 H new ATOM 0 HB2 ARG A 29 -4.214 6.631 -7.963 1.00 0.56 H new ATOM 0 HB3 ARG A 29 -3.930 8.305 -8.394 1.00 0.56 H new ATOM 0 HG2 ARG A 29 -1.465 7.853 -8.413 1.00 0.93 H new ATOM 0 HG3 ARG A 29 -1.793 6.168 -8.062 1.00 0.93 H new ATOM 0 HD2 ARG A 29 -2.962 7.600 -10.473 1.00 1.22 H new ATOM 0 HD3 ARG A 29 -1.418 6.772 -10.522 1.00 1.22 H new ATOM 0 HE ARG A 29 -2.565 4.655 -10.093 1.00 1.83 H new ATOM 0 HH11 ARG A 29 -4.645 7.430 -10.805 1.00 3.23 H new ATOM 0 HH12 ARG A 29 -6.009 6.422 -11.300 1.00 3.23 H new ATOM 0 HH21 ARG A 29 -4.311 3.378 -10.752 1.00 3.63 H new ATOM 0 HH22 ARG A 29 -5.819 4.137 -11.270 1.00 3.63 H new ATOM 461 N PHE A 30 -4.710 9.707 -5.845 1.00 0.56 N ATOM 462 CA PHE A 30 -5.884 10.414 -5.357 1.00 0.60 C ATOM 463 C PHE A 30 -6.936 10.490 -6.456 1.00 0.68 C ATOM 464 O PHE A 30 -6.815 11.288 -7.389 1.00 0.83 O ATOM 465 CB PHE A 30 -5.501 11.826 -4.902 1.00 0.66 C ATOM 466 CG PHE A 30 -4.606 11.867 -3.693 1.00 0.66 C ATOM 467 CD1 PHE A 30 -3.256 11.562 -3.794 1.00 0.70 C ATOM 468 CD2 PHE A 30 -5.116 12.222 -2.455 1.00 0.72 C ATOM 469 CE1 PHE A 30 -2.436 11.607 -2.683 1.00 0.77 C ATOM 470 CE2 PHE A 30 -4.301 12.270 -1.341 1.00 0.80 C ATOM 471 CZ PHE A 30 -2.958 11.963 -1.455 1.00 0.82 C ATOM 0 H PHE A 30 -3.967 10.318 -6.185 1.00 0.56 H new ATOM 0 HA PHE A 30 -6.294 9.870 -4.506 1.00 0.60 H new ATOM 0 HB2 PHE A 30 -5.003 12.338 -5.726 1.00 0.66 H new ATOM 0 HB3 PHE A 30 -6.412 12.384 -4.684 1.00 0.66 H new ATOM 0 HD1 PHE A 30 -2.841 11.286 -4.752 1.00 0.70 H new ATOM 0 HD2 PHE A 30 -6.164 12.464 -2.360 1.00 0.72 H new ATOM 0 HE1 PHE A 30 -1.388 11.364 -2.775 1.00 0.77 H new ATOM 0 HE2 PHE A 30 -4.713 12.547 -0.382 1.00 0.80 H new ATOM 0 HZ PHE A 30 -2.318 12.001 -0.586 1.00 0.82 H new ATOM 481 N VAL A 31 -7.953 9.647 -6.362 1.00 0.62 N ATOM 482 CA VAL A 31 -9.010 9.623 -7.368 1.00 0.70 C ATOM 483 C VAL A 31 -10.133 10.596 -7.025 1.00 0.73 C ATOM 484 O VAL A 31 -10.786 11.143 -7.915 1.00 0.83 O ATOM 485 CB VAL A 31 -9.594 8.204 -7.558 1.00 0.72 C ATOM 486 CG1 VAL A 31 -8.605 7.310 -8.294 1.00 0.84 C ATOM 487 CG2 VAL A 31 -9.978 7.590 -6.220 1.00 0.67 C ATOM 0 H VAL A 31 -8.071 8.973 -5.605 1.00 0.62 H new ATOM 0 HA VAL A 31 -8.548 9.935 -8.305 1.00 0.70 H new ATOM 0 HB VAL A 31 -10.497 8.289 -8.163 1.00 0.72 H new ATOM 0 HG11 VAL A 31 -9.035 6.316 -8.417 1.00 0.84 H new ATOM 0 HG12 VAL A 31 -8.389 7.736 -9.274 1.00 0.84 H new ATOM 0 HG13 VAL A 31 -7.682 7.237 -7.718 1.00 0.84 H new ATOM 0 HG21 VAL A 31 -10.386 6.592 -6.381 1.00 0.67 H new ATOM 0 HG22 VAL A 31 -9.095 7.523 -5.584 1.00 0.67 H new ATOM 0 HG23 VAL A 31 -10.728 8.215 -5.735 1.00 0.67 H new ATOM 497 N ASP A 32 -10.343 10.826 -5.735 1.00 0.72 N ATOM 498 CA ASP A 32 -11.392 11.737 -5.286 1.00 0.84 C ATOM 499 C ASP A 32 -10.948 12.475 -4.027 1.00 0.97 C ATOM 500 O ASP A 32 -11.744 12.723 -3.124 1.00 1.74 O ATOM 501 CB ASP A 32 -12.697 10.967 -5.035 1.00 0.84 C ATOM 502 CG ASP A 32 -13.898 11.881 -4.860 1.00 0.97 C ATOM 503 OD1 ASP A 32 -13.869 13.021 -5.370 1.00 1.16 O ATOM 504 OD2 ASP A 32 -14.882 11.462 -4.205 1.00 1.16 O ATOM 0 H ASP A 32 -9.804 10.397 -4.983 1.00 0.72 H new ATOM 0 HA ASP A 32 -11.576 12.474 -6.068 1.00 0.84 H new ATOM 0 HB2 ASP A 32 -12.880 10.290 -5.870 1.00 0.84 H new ATOM 0 HB3 ASP A 32 -12.583 10.350 -4.144 1.00 0.84 H new ATOM 509 N ASN A 33 -9.661 12.821 -3.989 1.00 0.89 N ATOM 510 CA ASN A 33 -9.049 13.542 -2.863 1.00 0.95 C ATOM 511 C ASN A 33 -9.087 12.739 -1.564 1.00 0.84 C ATOM 512 O ASN A 33 -8.065 12.218 -1.124 1.00 1.07 O ATOM 513 CB ASN A 33 -9.715 14.904 -2.653 1.00 1.09 C ATOM 514 CG ASN A 33 -8.978 15.749 -1.629 1.00 1.82 C ATOM 515 OD1 ASN A 33 -9.267 15.695 -0.434 1.00 2.09 O ATOM 516 ND2 ASN A 33 -8.019 16.536 -2.090 1.00 2.72 N ATOM 0 H ASN A 33 -9.006 12.609 -4.742 1.00 0.89 H new ATOM 0 HA ASN A 33 -8.002 13.693 -3.128 1.00 0.95 H new ATOM 0 HB2 ASN A 33 -9.754 15.438 -3.602 1.00 1.09 H new ATOM 0 HB3 ASN A 33 -10.745 14.757 -2.327 1.00 1.09 H new ATOM 0 HD21 ASN A 33 -7.490 17.126 -1.447 1.00 2.72 H new ATOM 0 HD22 ASN A 33 -7.809 16.553 -3.088 1.00 2.72 H new ATOM 523 N ASN A 34 -10.268 12.620 -0.961 1.00 0.73 N ATOM 524 CA ASN A 34 -10.416 11.887 0.292 1.00 0.86 C ATOM 525 C ASN A 34 -10.492 10.387 0.041 1.00 0.88 C ATOM 526 O ASN A 34 -10.855 9.619 0.924 1.00 1.22 O ATOM 527 CB ASN A 34 -11.657 12.356 1.057 1.00 1.01 C ATOM 528 CG ASN A 34 -11.433 13.673 1.776 1.00 1.35 C ATOM 529 OD1 ASN A 34 -11.699 14.744 1.230 1.00 1.84 O ATOM 530 ND2 ASN A 34 -10.941 13.604 3.004 1.00 1.83 N ATOM 0 H ASN A 34 -11.134 13.021 -1.320 1.00 0.73 H new ATOM 0 HA ASN A 34 -9.535 12.092 0.900 1.00 0.86 H new ATOM 0 HB2 ASN A 34 -12.490 12.462 0.362 1.00 1.01 H new ATOM 0 HB3 ASN A 34 -11.942 11.594 1.782 1.00 1.01 H new ATOM 0 HD21 ASN A 34 -10.769 14.459 3.533 1.00 1.83 H new ATOM 0 HD22 ASN A 34 -10.734 12.696 3.420 1.00 1.83 H new ATOM 537 N GLU A 35 -10.155 9.980 -1.172 1.00 0.64 N ATOM 538 CA GLU A 35 -10.160 8.577 -1.553 1.00 0.62 C ATOM 539 C GLU A 35 -8.870 8.247 -2.294 1.00 0.57 C ATOM 540 O GLU A 35 -8.622 8.765 -3.387 1.00 0.59 O ATOM 541 CB GLU A 35 -11.379 8.255 -2.425 1.00 0.68 C ATOM 542 CG GLU A 35 -12.559 7.704 -1.637 1.00 1.01 C ATOM 543 CD GLU A 35 -13.894 7.933 -2.319 1.00 1.41 C ATOM 544 OE1 GLU A 35 -14.035 7.530 -3.493 1.00 1.47 O ATOM 545 OE2 GLU A 35 -14.801 8.521 -1.697 1.00 2.25 O ATOM 0 H GLU A 35 -9.870 10.613 -1.920 1.00 0.64 H new ATOM 0 HA GLU A 35 -10.222 7.966 -0.653 1.00 0.62 H new ATOM 0 HB2 GLU A 35 -11.691 9.159 -2.948 1.00 0.68 H new ATOM 0 HB3 GLU A 35 -11.090 7.530 -3.186 1.00 0.68 H new ATOM 0 HG2 GLU A 35 -12.416 6.634 -1.482 1.00 1.01 H new ATOM 0 HG3 GLU A 35 -12.578 8.169 -0.651 1.00 1.01 H new ATOM 552 N ILE A 36 -8.044 7.409 -1.685 1.00 0.52 N ATOM 553 CA ILE A 36 -6.776 7.021 -2.283 1.00 0.48 C ATOM 554 C ILE A 36 -6.791 5.559 -2.693 1.00 0.46 C ATOM 555 O ILE A 36 -7.031 4.671 -1.873 1.00 0.53 O ATOM 556 CB ILE A 36 -5.586 7.271 -1.332 1.00 0.47 C ATOM 557 CG1 ILE A 36 -5.920 6.828 0.098 1.00 0.48 C ATOM 558 CG2 ILE A 36 -5.190 8.741 -1.364 1.00 0.51 C ATOM 559 CD1 ILE A 36 -4.729 6.841 1.034 1.00 0.51 C ATOM 0 H ILE A 36 -8.230 6.985 -0.776 1.00 0.52 H new ATOM 0 HA ILE A 36 -6.647 7.645 -3.167 1.00 0.48 H new ATOM 0 HB ILE A 36 -4.741 6.674 -1.674 1.00 0.47 H new ATOM 0 HG12 ILE A 36 -6.694 7.482 0.500 1.00 0.48 H new ATOM 0 HG13 ILE A 36 -6.337 5.821 0.069 1.00 0.48 H new ATOM 0 HG21 ILE A 36 -4.350 8.906 -0.690 1.00 0.51 H new ATOM 0 HG22 ILE A 36 -4.901 9.018 -2.378 1.00 0.51 H new ATOM 0 HG23 ILE A 36 -6.035 9.352 -1.047 1.00 0.51 H new ATOM 0 HD11 ILE A 36 -5.042 6.516 2.026 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.962 6.165 0.656 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -4.324 7.851 1.094 1.00 0.51 H new ATOM 571 N ASN A 37 -6.530 5.315 -3.965 1.00 0.44 N ATOM 572 CA ASN A 37 -6.520 3.960 -4.489 1.00 0.46 C ATOM 573 C ASN A 37 -5.094 3.489 -4.721 1.00 0.42 C ATOM 574 O ASN A 37 -4.329 4.125 -5.452 1.00 0.50 O ATOM 575 CB ASN A 37 -7.311 3.880 -5.800 1.00 0.54 C ATOM 576 CG ASN A 37 -7.487 2.453 -6.295 1.00 0.86 C ATOM 577 OD1 ASN A 37 -8.483 1.797 -5.992 1.00 1.82 O ATOM 578 ND2 ASN A 37 -6.529 1.963 -7.068 1.00 0.98 N ATOM 0 H ASN A 37 -6.322 6.037 -4.655 1.00 0.44 H new ATOM 0 HA ASN A 37 -6.993 3.311 -3.752 1.00 0.46 H new ATOM 0 HB2 ASN A 37 -8.292 4.333 -5.656 1.00 0.54 H new ATOM 0 HB3 ASN A 37 -6.799 4.464 -6.564 1.00 0.54 H new ATOM 0 HD21 ASN A 37 -6.603 1.013 -7.432 1.00 0.98 H new ATOM 0 HD22 ASN A 37 -5.717 2.536 -7.299 1.00 0.98 H new ATOM 585 N ILE A 38 -4.734 2.386 -4.085 1.00 0.36 N ATOM 586 CA ILE A 38 -3.406 1.823 -4.240 1.00 0.33 C ATOM 587 C ILE A 38 -3.302 1.146 -5.601 1.00 0.41 C ATOM 588 O ILE A 38 -4.008 0.170 -5.880 1.00 0.53 O ATOM 589 CB ILE A 38 -3.075 0.822 -3.111 1.00 0.36 C ATOM 590 CG1 ILE A 38 -3.089 1.535 -1.758 1.00 0.47 C ATOM 591 CG2 ILE A 38 -1.717 0.172 -3.351 1.00 0.37 C ATOM 592 CD1 ILE A 38 -3.120 0.591 -0.576 1.00 0.69 C ATOM 0 H ILE A 38 -5.344 1.864 -3.457 1.00 0.36 H new ATOM 0 HA ILE A 38 -2.679 2.632 -4.176 1.00 0.33 H new ATOM 0 HB ILE A 38 -3.834 0.040 -3.107 1.00 0.36 H new ATOM 0 HG12 ILE A 38 -2.206 2.170 -1.682 1.00 0.47 H new ATOM 0 HG13 ILE A 38 -3.958 2.191 -1.711 1.00 0.47 H new ATOM 0 HG21 ILE A 38 -1.502 -0.530 -2.545 1.00 0.37 H new ATOM 0 HG22 ILE A 38 -1.732 -0.361 -4.302 1.00 0.37 H new ATOM 0 HG23 ILE A 38 -0.945 0.941 -3.378 1.00 0.37 H new ATOM 0 HD11 ILE A 38 -3.128 1.167 0.349 1.00 0.69 H new ATOM 0 HD12 ILE A 38 -4.017 -0.027 -0.627 1.00 0.69 H new ATOM 0 HD13 ILE A 38 -2.237 -0.048 -0.598 1.00 0.69 H new ATOM 604 N ASP A 39 -2.434 1.687 -6.447 1.00 0.52 N ATOM 605 CA ASP A 39 -2.247 1.175 -7.798 1.00 0.73 C ATOM 606 C ASP A 39 -1.465 -0.129 -7.789 1.00 0.50 C ATOM 607 O ASP A 39 -1.959 -1.158 -8.253 1.00 0.64 O ATOM 608 CB ASP A 39 -1.535 2.211 -8.666 1.00 1.08 C ATOM 609 CG ASP A 39 -2.082 2.259 -10.078 1.00 1.73 C ATOM 610 OD1 ASP A 39 -3.315 2.175 -10.246 1.00 2.47 O ATOM 611 OD2 ASP A 39 -1.283 2.407 -11.021 1.00 2.16 O ATOM 0 H ASP A 39 -1.844 2.487 -6.218 1.00 0.52 H new ATOM 0 HA ASP A 39 -3.232 0.976 -8.220 1.00 0.73 H new ATOM 0 HB2 ASP A 39 -1.635 3.195 -8.207 1.00 1.08 H new ATOM 0 HB3 ASP A 39 -0.470 1.982 -8.700 1.00 1.08 H new ATOM 616 N HIS A 40 -0.243 -0.093 -7.269 1.00 0.37 N ATOM 617 CA HIS A 40 0.575 -1.295 -7.205 1.00 0.44 C ATOM 618 C HIS A 40 1.417 -1.328 -5.934 1.00 0.39 C ATOM 619 O HIS A 40 1.637 -0.300 -5.291 1.00 0.42 O ATOM 620 CB HIS A 40 1.457 -1.448 -8.460 1.00 0.72 C ATOM 621 CG HIS A 40 2.594 -0.468 -8.597 1.00 0.72 C ATOM 622 ND1 HIS A 40 2.702 0.410 -9.654 1.00 1.59 N ATOM 623 CD2 HIS A 40 3.696 -0.265 -7.833 1.00 0.92 C ATOM 624 CE1 HIS A 40 3.818 1.106 -9.536 1.00 2.12 C ATOM 625 NE2 HIS A 40 4.436 0.715 -8.440 1.00 1.64 N ATOM 0 H HIS A 40 0.198 0.745 -6.890 1.00 0.37 H new ATOM 0 HA HIS A 40 -0.104 -2.147 -7.175 1.00 0.44 H new ATOM 0 HB2 HIS A 40 1.871 -2.456 -8.467 1.00 0.72 H new ATOM 0 HB3 HIS A 40 0.820 -1.359 -9.340 1.00 0.72 H new ATOM 0 HD2 HIS A 40 3.944 -0.780 -6.917 1.00 0.92 H new ATOM 0 HE1 HIS A 40 4.165 1.866 -10.221 1.00 2.12 H new ATOM 0 HE2 HIS A 40 5.324 1.083 -8.098 1.00 1.64 H new ATOM 634 N THR A 41 1.863 -2.522 -5.576 1.00 0.41 N ATOM 635 CA THR A 41 2.687 -2.735 -4.397 1.00 0.45 C ATOM 636 C THR A 41 3.680 -3.854 -4.680 1.00 0.54 C ATOM 637 O THR A 41 3.304 -5.022 -4.722 1.00 0.73 O ATOM 638 CB THR A 41 1.828 -3.121 -3.175 1.00 0.48 C ATOM 639 OG1 THR A 41 0.631 -2.330 -3.139 1.00 0.48 O ATOM 640 CG2 THR A 41 2.604 -2.928 -1.883 1.00 0.55 C ATOM 0 H THR A 41 1.662 -3.375 -6.098 1.00 0.41 H new ATOM 0 HA THR A 41 3.209 -1.806 -4.170 1.00 0.45 H new ATOM 0 HB THR A 41 1.563 -4.174 -3.270 1.00 0.48 H new ATOM 0 HG1 THR A 41 0.025 -2.620 -3.853 1.00 0.48 H new ATOM 0 HG21 THR A 41 1.976 -3.207 -1.037 1.00 0.55 H new ATOM 0 HG22 THR A 41 3.495 -3.556 -1.897 1.00 0.55 H new ATOM 0 HG23 THR A 41 2.898 -1.883 -1.788 1.00 0.55 H new ATOM 648 N GLY A 42 4.935 -3.499 -4.893 1.00 0.55 N ATOM 649 CA GLY A 42 5.936 -4.496 -5.194 1.00 0.66 C ATOM 650 C GLY A 42 7.007 -4.583 -4.132 1.00 0.64 C ATOM 651 O GLY A 42 7.400 -3.570 -3.556 1.00 0.70 O ATOM 0 H GLY A 42 5.278 -2.539 -4.863 1.00 0.55 H new ATOM 0 HA2 GLY A 42 5.455 -5.468 -5.300 1.00 0.66 H new ATOM 0 HA3 GLY A 42 6.399 -4.263 -6.153 1.00 0.66 H new ATOM 655 N VAL A 43 7.471 -5.799 -3.873 1.00 0.67 N ATOM 656 CA VAL A 43 8.508 -6.044 -2.879 1.00 0.71 C ATOM 657 C VAL A 43 9.549 -7.004 -3.446 1.00 0.74 C ATOM 658 O VAL A 43 9.206 -8.088 -3.915 1.00 0.82 O ATOM 659 CB VAL A 43 7.928 -6.647 -1.575 1.00 0.79 C ATOM 660 CG1 VAL A 43 9.042 -6.970 -0.587 1.00 0.93 C ATOM 661 CG2 VAL A 43 6.910 -5.707 -0.943 1.00 0.80 C ATOM 0 H VAL A 43 7.140 -6.641 -4.345 1.00 0.67 H new ATOM 0 HA VAL A 43 8.964 -5.083 -2.639 1.00 0.71 H new ATOM 0 HB VAL A 43 7.418 -7.575 -1.834 1.00 0.79 H new ATOM 0 HG11 VAL A 43 8.612 -7.392 0.321 1.00 0.93 H new ATOM 0 HG12 VAL A 43 9.727 -7.691 -1.034 1.00 0.93 H new ATOM 0 HG13 VAL A 43 9.586 -6.058 -0.341 1.00 0.93 H new ATOM 0 HG21 VAL A 43 6.519 -6.155 -0.030 1.00 0.80 H new ATOM 0 HG22 VAL A 43 7.390 -4.758 -0.705 1.00 0.80 H new ATOM 0 HG23 VAL A 43 6.091 -5.534 -1.642 1.00 0.80 H new ATOM 671 N SER A 44 10.809 -6.595 -3.422 1.00 0.82 N ATOM 672 CA SER A 44 11.892 -7.425 -3.915 1.00 0.90 C ATOM 673 C SER A 44 12.362 -8.358 -2.809 1.00 1.01 C ATOM 674 O SER A 44 13.176 -7.988 -1.958 1.00 1.32 O ATOM 675 CB SER A 44 13.047 -6.557 -4.388 1.00 1.27 C ATOM 676 OG SER A 44 12.593 -5.267 -4.763 1.00 1.83 O ATOM 0 H SER A 44 11.105 -5.687 -3.063 1.00 0.82 H new ATOM 0 HA SER A 44 11.533 -8.016 -4.758 1.00 0.90 H new ATOM 0 HB2 SER A 44 13.789 -6.469 -3.594 1.00 1.27 H new ATOM 0 HB3 SER A 44 13.541 -7.033 -5.235 1.00 1.27 H new ATOM 0 HG SER A 44 13.354 -4.727 -5.062 1.00 1.83 H new ATOM 682 N ASP A 45 11.842 -9.564 -2.826 1.00 1.10 N ATOM 683 CA ASP A 45 12.169 -10.554 -1.814 1.00 1.45 C ATOM 684 C ASP A 45 12.131 -11.955 -2.406 1.00 1.27 C ATOM 685 O ASP A 45 11.066 -12.463 -2.766 1.00 1.73 O ATOM 686 CB ASP A 45 11.184 -10.440 -0.647 1.00 2.05 C ATOM 687 CG ASP A 45 11.493 -11.382 0.501 1.00 2.57 C ATOM 688 OD1 ASP A 45 12.554 -12.037 0.457 1.00 3.12 O ATOM 689 OD2 ASP A 45 10.689 -11.475 1.452 1.00 2.90 O ATOM 0 H ASP A 45 11.184 -9.889 -3.535 1.00 1.10 H new ATOM 0 HA ASP A 45 13.179 -10.367 -1.448 1.00 1.45 H new ATOM 0 HB2 ASP A 45 11.189 -9.415 -0.277 1.00 2.05 H new ATOM 0 HB3 ASP A 45 10.177 -10.642 -1.011 1.00 2.05 H new ATOM 694 N GLU A 46 13.299 -12.566 -2.514 1.00 1.36 N ATOM 695 CA GLU A 46 13.408 -13.912 -3.055 1.00 1.66 C ATOM 696 C GLU A 46 13.398 -14.942 -1.932 1.00 1.96 C ATOM 697 O GLU A 46 13.448 -16.147 -2.177 1.00 2.52 O ATOM 698 CB GLU A 46 14.682 -14.064 -3.892 1.00 2.19 C ATOM 699 CG GLU A 46 14.528 -13.619 -5.342 1.00 2.65 C ATOM 700 CD GLU A 46 14.256 -12.134 -5.485 1.00 3.34 C ATOM 701 OE1 GLU A 46 15.156 -11.328 -5.170 1.00 3.80 O ATOM 702 OE2 GLU A 46 13.145 -11.769 -5.926 1.00 3.79 O ATOM 0 H GLU A 46 14.187 -12.151 -2.234 1.00 1.36 H new ATOM 0 HA GLU A 46 12.547 -14.084 -3.701 1.00 1.66 H new ATOM 0 HB2 GLU A 46 15.481 -13.485 -3.428 1.00 2.19 H new ATOM 0 HB3 GLU A 46 14.994 -15.108 -3.874 1.00 2.19 H new ATOM 0 HG2 GLU A 46 15.436 -13.870 -5.891 1.00 2.65 H new ATOM 0 HG3 GLU A 46 13.713 -14.177 -5.802 1.00 2.65 H new ATOM 709 N LEU A 47 13.334 -14.461 -0.698 1.00 2.08 N ATOM 710 CA LEU A 47 13.317 -15.337 0.461 1.00 2.74 C ATOM 711 C LEU A 47 11.884 -15.561 0.921 1.00 2.84 C ATOM 712 O LEU A 47 11.444 -16.699 1.089 1.00 3.61 O ATOM 713 CB LEU A 47 14.153 -14.745 1.599 1.00 3.16 C ATOM 714 CG LEU A 47 15.670 -14.746 1.377 1.00 3.70 C ATOM 715 CD1 LEU A 47 16.090 -13.556 0.527 1.00 4.35 C ATOM 716 CD2 LEU A 47 16.396 -14.730 2.715 1.00 4.47 C ATOM 0 H LEU A 47 13.293 -13.466 -0.476 1.00 2.08 H new ATOM 0 HA LEU A 47 13.754 -16.295 0.179 1.00 2.74 H new ATOM 0 HB2 LEU A 47 13.829 -13.718 1.767 1.00 3.16 H new ATOM 0 HB3 LEU A 47 13.937 -15.301 2.511 1.00 3.16 H new ATOM 0 HG LEU A 47 15.942 -15.657 0.843 1.00 3.70 H new ATOM 0 HD11 LEU A 47 17.170 -13.576 0.382 1.00 4.35 H new ATOM 0 HD12 LEU A 47 15.593 -13.607 -0.442 1.00 4.35 H new ATOM 0 HD13 LEU A 47 15.809 -12.631 1.031 1.00 4.35 H new ATOM 0 HD21 LEU A 47 17.473 -14.731 2.545 1.00 4.47 H new ATOM 0 HD22 LEU A 47 16.117 -13.834 3.270 1.00 4.47 H new ATOM 0 HD23 LEU A 47 16.119 -15.614 3.290 1.00 4.47 H new ATOM 728 N GLY A 48 11.156 -14.470 1.116 1.00 2.46 N ATOM 729 CA GLY A 48 9.776 -14.566 1.543 1.00 3.19 C ATOM 730 C GLY A 48 9.606 -14.262 3.015 1.00 3.20 C ATOM 731 O GLY A 48 9.300 -15.155 3.807 1.00 3.86 O ATOM 0 H GLY A 48 11.498 -13.518 0.985 1.00 2.46 H new ATOM 0 HA2 GLY A 48 9.169 -13.874 0.959 1.00 3.19 H new ATOM 0 HA3 GLY A 48 9.403 -15.569 1.336 1.00 3.19 H new ATOM 735 N GLY A 49 9.822 -13.006 3.387 1.00 2.85 N ATOM 736 CA GLY A 49 9.674 -12.609 4.775 1.00 3.05 C ATOM 737 C GLY A 49 10.074 -11.167 5.038 1.00 2.17 C ATOM 738 O GLY A 49 10.201 -10.761 6.195 1.00 2.73 O ATOM 0 H GLY A 49 10.097 -12.256 2.753 1.00 2.85 H new ATOM 0 HA2 GLY A 49 8.636 -12.751 5.077 1.00 3.05 H new ATOM 0 HA3 GLY A 49 10.280 -13.266 5.399 1.00 3.05 H new ATOM 742 N GLN A 50 10.272 -10.390 3.976 1.00 1.42 N ATOM 743 CA GLN A 50 10.657 -8.986 4.107 1.00 1.52 C ATOM 744 C GLN A 50 9.579 -8.188 4.842 1.00 1.37 C ATOM 745 O GLN A 50 8.398 -8.240 4.488 1.00 2.20 O ATOM 746 CB GLN A 50 10.916 -8.368 2.731 1.00 2.43 C ATOM 747 CG GLN A 50 12.184 -7.531 2.668 1.00 2.96 C ATOM 748 CD GLN A 50 13.435 -8.352 2.897 1.00 3.04 C ATOM 749 OE1 GLN A 50 13.961 -8.970 1.975 1.00 3.39 O ATOM 750 NE2 GLN A 50 13.926 -8.364 4.124 1.00 3.44 N ATOM 0 H GLN A 50 10.172 -10.709 3.012 1.00 1.42 H new ATOM 0 HA GLN A 50 11.576 -8.946 4.692 1.00 1.52 H new ATOM 0 HB2 GLN A 50 10.980 -9.165 1.990 1.00 2.43 H new ATOM 0 HB3 GLN A 50 10.065 -7.745 2.456 1.00 2.43 H new ATOM 0 HG2 GLN A 50 12.246 -7.045 1.694 1.00 2.96 H new ATOM 0 HG3 GLN A 50 12.131 -6.740 3.416 1.00 2.96 H new ATOM 0 HE21 GLN A 50 13.461 -7.838 4.864 1.00 3.44 H new ATOM 0 HE22 GLN A 50 14.769 -8.899 4.331 1.00 3.44 H new ATOM 759 N GLY A 51 9.996 -7.432 5.851 1.00 1.01 N ATOM 760 CA GLY A 51 9.058 -6.649 6.637 1.00 1.11 C ATOM 761 C GLY A 51 8.818 -5.264 6.072 1.00 0.88 C ATOM 762 O GLY A 51 7.996 -4.508 6.592 1.00 0.86 O ATOM 0 H GLY A 51 10.970 -7.347 6.140 1.00 1.01 H new ATOM 0 HA2 GLY A 51 8.108 -7.181 6.694 1.00 1.11 H new ATOM 0 HA3 GLY A 51 9.434 -6.559 7.656 1.00 1.11 H new ATOM 766 N VAL A 52 9.523 -4.933 4.996 1.00 0.80 N ATOM 767 CA VAL A 52 9.389 -3.625 4.354 1.00 0.68 C ATOM 768 C VAL A 52 7.961 -3.370 3.874 1.00 0.58 C ATOM 769 O VAL A 52 7.496 -2.231 3.869 1.00 0.56 O ATOM 770 CB VAL A 52 10.361 -3.478 3.167 1.00 0.70 C ATOM 771 CG1 VAL A 52 11.786 -3.362 3.673 1.00 0.91 C ATOM 772 CG2 VAL A 52 10.230 -4.650 2.208 1.00 1.14 C ATOM 0 H VAL A 52 10.196 -5.553 4.546 1.00 0.80 H new ATOM 0 HA VAL A 52 9.638 -2.883 5.112 1.00 0.68 H new ATOM 0 HB VAL A 52 10.105 -2.569 2.623 1.00 0.70 H new ATOM 0 HG11 VAL A 52 12.465 -3.259 2.827 1.00 0.91 H new ATOM 0 HG12 VAL A 52 11.873 -2.487 4.317 1.00 0.91 H new ATOM 0 HG13 VAL A 52 12.045 -4.257 4.239 1.00 0.91 H new ATOM 0 HG21 VAL A 52 10.927 -4.522 1.379 1.00 1.14 H new ATOM 0 HG22 VAL A 52 10.458 -5.577 2.734 1.00 1.14 H new ATOM 0 HG23 VAL A 52 9.211 -4.692 1.822 1.00 1.14 H new ATOM 782 N GLY A 53 7.264 -4.437 3.498 1.00 0.59 N ATOM 783 CA GLY A 53 5.899 -4.307 3.025 1.00 0.58 C ATOM 784 C GLY A 53 4.961 -3.780 4.095 1.00 0.51 C ATOM 785 O GLY A 53 4.001 -3.068 3.796 1.00 0.50 O ATOM 0 H GLY A 53 7.622 -5.392 3.513 1.00 0.59 H new ATOM 0 HA2 GLY A 53 5.878 -3.637 2.166 1.00 0.58 H new ATOM 0 HA3 GLY A 53 5.543 -5.278 2.681 1.00 0.58 H new ATOM 789 N LYS A 54 5.254 -4.113 5.346 1.00 0.52 N ATOM 790 CA LYS A 54 4.431 -3.674 6.464 1.00 0.50 C ATOM 791 C LYS A 54 4.646 -2.190 6.726 1.00 0.48 C ATOM 792 O LYS A 54 3.692 -1.451 6.960 1.00 0.48 O ATOM 793 CB LYS A 54 4.742 -4.480 7.733 1.00 0.59 C ATOM 794 CG LYS A 54 4.433 -5.969 7.625 1.00 0.75 C ATOM 795 CD LYS A 54 5.592 -6.734 7.006 1.00 1.08 C ATOM 796 CE LYS A 54 5.511 -8.225 7.289 1.00 1.49 C ATOM 797 NZ LYS A 54 5.802 -8.543 8.714 1.00 2.02 N ATOM 0 H LYS A 54 6.055 -4.686 5.611 1.00 0.52 H new ATOM 0 HA LYS A 54 3.388 -3.844 6.199 1.00 0.50 H new ATOM 0 HB2 LYS A 54 5.797 -4.357 7.977 1.00 0.59 H new ATOM 0 HB3 LYS A 54 4.172 -4.062 8.563 1.00 0.59 H new ATOM 0 HG2 LYS A 54 4.218 -6.370 8.616 1.00 0.75 H new ATOM 0 HG3 LYS A 54 3.537 -6.113 7.022 1.00 0.75 H new ATOM 0 HD2 LYS A 54 5.599 -6.570 5.928 1.00 1.08 H new ATOM 0 HD3 LYS A 54 6.532 -6.343 7.394 1.00 1.08 H new ATOM 0 HE2 LYS A 54 4.516 -8.588 7.033 1.00 1.49 H new ATOM 0 HE3 LYS A 54 6.217 -8.754 6.649 1.00 1.49 H new ATOM 0 HZ1 LYS A 54 6.421 -9.377 8.764 1.00 2.02 H new ATOM 0 HZ2 LYS A 54 6.277 -7.733 9.161 1.00 2.02 H new ATOM 0 HZ3 LYS A 54 4.912 -8.742 9.214 1.00 2.02 H new ATOM 811 N LYS A 55 5.903 -1.755 6.653 1.00 0.51 N ATOM 812 CA LYS A 55 6.244 -0.355 6.888 1.00 0.54 C ATOM 813 C LYS A 55 5.599 0.545 5.835 1.00 0.47 C ATOM 814 O LYS A 55 5.189 1.671 6.128 1.00 0.48 O ATOM 815 CB LYS A 55 7.763 -0.162 6.882 1.00 0.65 C ATOM 816 CG LYS A 55 8.485 -0.935 7.977 1.00 1.28 C ATOM 817 CD LYS A 55 9.698 -0.174 8.493 1.00 1.72 C ATOM 818 CE LYS A 55 9.291 0.914 9.476 1.00 2.30 C ATOM 819 NZ LYS A 55 10.454 1.718 9.929 1.00 2.57 N ATOM 0 H LYS A 55 6.700 -2.352 6.433 1.00 0.51 H new ATOM 0 HA LYS A 55 5.858 -0.075 7.868 1.00 0.54 H new ATOM 0 HB2 LYS A 55 8.155 -0.471 5.913 1.00 0.65 H new ATOM 0 HB3 LYS A 55 7.985 0.899 6.992 1.00 0.65 H new ATOM 0 HG2 LYS A 55 7.798 -1.127 8.801 1.00 1.28 H new ATOM 0 HG3 LYS A 55 8.800 -1.905 7.592 1.00 1.28 H new ATOM 0 HD2 LYS A 55 10.385 -0.867 8.978 1.00 1.72 H new ATOM 0 HD3 LYS A 55 10.234 0.272 7.655 1.00 1.72 H new ATOM 0 HE2 LYS A 55 8.557 1.570 9.007 1.00 2.30 H new ATOM 0 HE3 LYS A 55 8.806 0.459 10.340 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 10.133 2.447 10.597 1.00 2.57 H new ATOM 0 HZ2 LYS A 55 11.143 1.097 10.399 1.00 2.57 H new ATOM 0 HZ3 LYS A 55 10.902 2.173 9.108 1.00 2.57 H new ATOM 833 N LEU A 56 5.502 0.030 4.614 1.00 0.46 N ATOM 834 CA LEU A 56 4.903 0.771 3.512 1.00 0.45 C ATOM 835 C LEU A 56 3.431 1.037 3.786 1.00 0.38 C ATOM 836 O LEU A 56 2.972 2.179 3.726 1.00 0.37 O ATOM 837 CB LEU A 56 5.040 -0.006 2.202 1.00 0.54 C ATOM 838 CG LEU A 56 6.458 -0.117 1.644 1.00 0.65 C ATOM 839 CD1 LEU A 56 6.422 -0.764 0.270 1.00 0.86 C ATOM 840 CD2 LEU A 56 7.117 1.252 1.573 1.00 0.85 C ATOM 0 H LEU A 56 5.832 -0.902 4.363 1.00 0.46 H new ATOM 0 HA LEU A 56 5.430 1.721 3.422 1.00 0.45 H new ATOM 0 HB2 LEU A 56 4.649 -1.012 2.355 1.00 0.54 H new ATOM 0 HB3 LEU A 56 4.410 0.470 1.451 1.00 0.54 H new ATOM 0 HG LEU A 56 7.050 -0.741 2.313 1.00 0.65 H new ATOM 0 HD11 LEU A 56 7.436 -0.840 -0.123 1.00 0.86 H new ATOM 0 HD12 LEU A 56 5.987 -1.760 0.348 1.00 0.86 H new ATOM 0 HD13 LEU A 56 5.817 -0.156 -0.403 1.00 0.86 H new ATOM 0 HD21 LEU A 56 8.126 1.150 1.173 1.00 0.85 H new ATOM 0 HD22 LEU A 56 6.533 1.904 0.923 1.00 0.85 H new ATOM 0 HD23 LEU A 56 7.165 1.685 2.572 1.00 0.85 H new ATOM 852 N LEU A 57 2.699 -0.026 4.097 1.00 0.37 N ATOM 853 CA LEU A 57 1.273 0.083 4.372 1.00 0.36 C ATOM 854 C LEU A 57 1.026 0.909 5.630 1.00 0.34 C ATOM 855 O LEU A 57 0.071 1.684 5.695 1.00 0.37 O ATOM 856 CB LEU A 57 0.653 -1.308 4.517 1.00 0.43 C ATOM 857 CG LEU A 57 -0.872 -1.357 4.381 1.00 0.72 C ATOM 858 CD1 LEU A 57 -1.304 -0.899 2.995 1.00 1.29 C ATOM 859 CD2 LEU A 57 -1.377 -2.761 4.655 1.00 0.71 C ATOM 0 H LEU A 57 3.070 -0.974 4.165 1.00 0.37 H new ATOM 0 HA LEU A 57 0.800 0.592 3.532 1.00 0.36 H new ATOM 0 HB2 LEU A 57 1.091 -1.964 3.765 1.00 0.43 H new ATOM 0 HB3 LEU A 57 0.929 -1.712 5.491 1.00 0.43 H new ATOM 0 HG LEU A 57 -1.306 -0.678 5.115 1.00 0.72 H new ATOM 0 HD11 LEU A 57 -2.391 -0.942 2.920 1.00 1.29 H new ATOM 0 HD12 LEU A 57 -0.969 0.125 2.829 1.00 1.29 H new ATOM 0 HD13 LEU A 57 -0.862 -1.552 2.242 1.00 1.29 H new ATOM 0 HD21 LEU A 57 -2.462 -2.783 4.555 1.00 0.71 H new ATOM 0 HD22 LEU A 57 -0.933 -3.453 3.940 1.00 0.71 H new ATOM 0 HD23 LEU A 57 -1.099 -3.056 5.667 1.00 0.71 H new ATOM 871 N LYS A 58 1.900 0.746 6.618 1.00 0.36 N ATOM 872 CA LYS A 58 1.791 1.480 7.874 1.00 0.42 C ATOM 873 C LYS A 58 1.840 2.984 7.618 1.00 0.41 C ATOM 874 O LYS A 58 1.101 3.750 8.234 1.00 0.44 O ATOM 875 CB LYS A 58 2.921 1.076 8.826 1.00 0.50 C ATOM 876 CG LYS A 58 2.453 0.714 10.232 1.00 0.74 C ATOM 877 CD LYS A 58 1.806 1.894 10.948 1.00 1.10 C ATOM 878 CE LYS A 58 2.801 3.013 11.209 1.00 1.13 C ATOM 879 NZ LYS A 58 2.209 4.104 12.030 1.00 1.39 N ATOM 0 H LYS A 58 2.695 0.109 6.572 1.00 0.36 H new ATOM 0 HA LYS A 58 0.835 1.233 8.335 1.00 0.42 H new ATOM 0 HB2 LYS A 58 3.452 0.224 8.401 1.00 0.50 H new ATOM 0 HB3 LYS A 58 3.636 1.896 8.893 1.00 0.50 H new ATOM 0 HG2 LYS A 58 1.740 -0.109 10.175 1.00 0.74 H new ATOM 0 HG3 LYS A 58 3.303 0.359 10.815 1.00 0.74 H new ATOM 0 HD2 LYS A 58 0.980 2.275 10.347 1.00 1.10 H new ATOM 0 HD3 LYS A 58 1.382 1.557 11.894 1.00 1.10 H new ATOM 0 HE2 LYS A 58 3.676 2.609 11.719 1.00 1.13 H new ATOM 0 HE3 LYS A 58 3.146 3.421 10.259 1.00 1.13 H new ATOM 0 HZ1 LYS A 58 2.504 5.025 11.648 1.00 1.39 H new ATOM 0 HZ2 LYS A 58 1.172 4.034 12.004 1.00 1.39 H new ATOM 0 HZ3 LYS A 58 2.537 4.016 13.013 1.00 1.39 H new ATOM 893 N ALA A 59 2.702 3.395 6.691 1.00 0.43 N ATOM 894 CA ALA A 59 2.847 4.805 6.349 1.00 0.48 C ATOM 895 C ALA A 59 1.566 5.340 5.720 1.00 0.44 C ATOM 896 O ALA A 59 1.123 6.449 6.029 1.00 0.47 O ATOM 897 CB ALA A 59 4.025 5.002 5.406 1.00 0.56 C ATOM 0 H ALA A 59 3.311 2.769 6.163 1.00 0.43 H new ATOM 0 HA ALA A 59 3.037 5.364 7.265 1.00 0.48 H new ATOM 0 HB1 ALA A 59 4.121 6.059 5.159 1.00 0.56 H new ATOM 0 HB2 ALA A 59 4.939 4.658 5.889 1.00 0.56 H new ATOM 0 HB3 ALA A 59 3.860 4.430 4.493 1.00 0.56 H new ATOM 903 N VAL A 60 0.969 4.537 4.845 1.00 0.39 N ATOM 904 CA VAL A 60 -0.268 4.917 4.174 1.00 0.38 C ATOM 905 C VAL A 60 -1.406 5.040 5.183 1.00 0.37 C ATOM 906 O VAL A 60 -2.119 6.043 5.208 1.00 0.40 O ATOM 907 CB VAL A 60 -0.661 3.896 3.083 1.00 0.38 C ATOM 908 CG1 VAL A 60 -1.940 4.325 2.375 1.00 0.44 C ATOM 909 CG2 VAL A 60 0.468 3.724 2.080 1.00 0.41 C ATOM 0 H VAL A 60 1.323 3.617 4.584 1.00 0.39 H new ATOM 0 HA VAL A 60 -0.094 5.882 3.697 1.00 0.38 H new ATOM 0 HB VAL A 60 -0.843 2.937 3.567 1.00 0.38 H new ATOM 0 HG11 VAL A 60 -2.197 3.591 1.611 1.00 0.44 H new ATOM 0 HG12 VAL A 60 -2.751 4.394 3.100 1.00 0.44 H new ATOM 0 HG13 VAL A 60 -1.788 5.298 1.907 1.00 0.44 H new ATOM 0 HG21 VAL A 60 0.172 3.001 1.320 1.00 0.41 H new ATOM 0 HG22 VAL A 60 0.683 4.682 1.606 1.00 0.41 H new ATOM 0 HG23 VAL A 60 1.360 3.365 2.594 1.00 0.41 H new ATOM 919 N VAL A 61 -1.552 4.023 6.026 1.00 0.36 N ATOM 920 CA VAL A 61 -2.597 4.004 7.044 1.00 0.40 C ATOM 921 C VAL A 61 -2.442 5.178 8.012 1.00 0.44 C ATOM 922 O VAL A 61 -3.415 5.858 8.338 1.00 0.49 O ATOM 923 CB VAL A 61 -2.585 2.674 7.831 1.00 0.43 C ATOM 924 CG1 VAL A 61 -3.597 2.697 8.971 1.00 0.53 C ATOM 925 CG2 VAL A 61 -2.860 1.501 6.898 1.00 0.43 C ATOM 0 H VAL A 61 -0.955 3.196 6.024 1.00 0.36 H new ATOM 0 HA VAL A 61 -3.553 4.097 6.529 1.00 0.40 H new ATOM 0 HB VAL A 61 -1.593 2.551 8.266 1.00 0.43 H new ATOM 0 HG11 VAL A 61 -3.565 1.748 9.506 1.00 0.53 H new ATOM 0 HG12 VAL A 61 -3.354 3.508 9.657 1.00 0.53 H new ATOM 0 HG13 VAL A 61 -4.597 2.852 8.566 1.00 0.53 H new ATOM 0 HG21 VAL A 61 -2.848 0.572 7.468 1.00 0.43 H new ATOM 0 HG22 VAL A 61 -3.837 1.628 6.432 1.00 0.43 H new ATOM 0 HG23 VAL A 61 -2.092 1.463 6.126 1.00 0.43 H new ATOM 935 N GLU A 62 -1.213 5.419 8.451 1.00 0.47 N ATOM 936 CA GLU A 62 -0.931 6.511 9.375 1.00 0.54 C ATOM 937 C GLU A 62 -1.293 7.856 8.750 1.00 0.55 C ATOM 938 O GLU A 62 -1.944 8.695 9.379 1.00 0.61 O ATOM 939 CB GLU A 62 0.545 6.499 9.771 1.00 0.61 C ATOM 940 CG GLU A 62 0.888 7.472 10.886 1.00 1.05 C ATOM 941 CD GLU A 62 2.370 7.518 11.180 1.00 1.17 C ATOM 942 OE1 GLU A 62 3.024 6.454 11.128 1.00 1.76 O ATOM 943 OE2 GLU A 62 2.888 8.616 11.470 1.00 1.53 O ATOM 0 H GLU A 62 -0.395 4.873 8.182 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.540 6.370 10.268 1.00 0.54 H new ATOM 0 HB2 GLU A 62 0.820 5.491 10.083 1.00 0.61 H new ATOM 0 HB3 GLU A 62 1.149 6.737 8.895 1.00 0.61 H new ATOM 0 HG2 GLU A 62 0.544 8.469 10.612 1.00 1.05 H new ATOM 0 HG3 GLU A 62 0.350 7.187 11.790 1.00 1.05 H new ATOM 950 N HIS A 63 -0.885 8.049 7.503 1.00 0.54 N ATOM 951 CA HIS A 63 -1.155 9.291 6.792 1.00 0.61 C ATOM 952 C HIS A 63 -2.648 9.449 6.520 1.00 0.61 C ATOM 953 O HIS A 63 -3.192 10.554 6.609 1.00 0.69 O ATOM 954 CB HIS A 63 -0.377 9.331 5.475 1.00 0.67 C ATOM 955 CG HIS A 63 -0.140 10.719 4.968 1.00 0.78 C ATOM 956 ND1 HIS A 63 0.803 11.559 5.509 1.00 0.85 N ATOM 957 CD2 HIS A 63 -0.743 11.418 3.976 1.00 0.97 C ATOM 958 CE1 HIS A 63 0.771 12.717 4.879 1.00 0.97 C ATOM 959 NE2 HIS A 63 -0.157 12.660 3.940 1.00 1.04 N ATOM 0 H HIS A 63 -0.364 7.359 6.962 1.00 0.54 H new ATOM 0 HA HIS A 63 -0.829 10.118 7.422 1.00 0.61 H new ATOM 0 HB2 HIS A 63 0.583 8.834 5.613 1.00 0.67 H new ATOM 0 HB3 HIS A 63 -0.924 8.765 4.721 1.00 0.67 H new ATOM 0 HD2 HIS A 63 -1.536 11.065 3.334 1.00 0.97 H new ATOM 0 HE1 HIS A 63 1.398 13.569 5.094 1.00 0.97 H new ATOM 0 HE2 HIS A 63 -0.398 13.413 3.296 1.00 1.04 H new ATOM 968 N ALA A 64 -3.303 8.340 6.194 1.00 0.56 N ATOM 969 CA ALA A 64 -4.732 8.342 5.905 1.00 0.62 C ATOM 970 C ALA A 64 -5.547 8.654 7.152 1.00 0.70 C ATOM 971 O ALA A 64 -6.621 9.241 7.067 1.00 0.85 O ATOM 972 CB ALA A 64 -5.163 7.005 5.320 1.00 0.61 C ATOM 0 H ALA A 64 -2.863 7.422 6.123 1.00 0.56 H new ATOM 0 HA ALA A 64 -4.919 9.125 5.170 1.00 0.62 H new ATOM 0 HB1 ALA A 64 -6.233 7.027 5.111 1.00 0.61 H new ATOM 0 HB2 ALA A 64 -4.617 6.819 4.395 1.00 0.61 H new ATOM 0 HB3 ALA A 64 -4.949 6.210 6.034 1.00 0.61 H new ATOM 978 N ARG A 65 -5.033 8.262 8.308 1.00 0.69 N ATOM 979 CA ARG A 65 -5.718 8.510 9.570 1.00 0.82 C ATOM 980 C ARG A 65 -5.730 10.003 9.899 1.00 0.85 C ATOM 981 O ARG A 65 -6.755 10.554 10.300 1.00 0.96 O ATOM 982 CB ARG A 65 -5.038 7.728 10.695 1.00 0.89 C ATOM 983 CG ARG A 65 -5.818 7.707 12.001 1.00 1.36 C ATOM 984 CD ARG A 65 -7.120 6.930 11.867 1.00 1.44 C ATOM 985 NE ARG A 65 -7.706 6.611 13.165 1.00 2.20 N ATOM 986 CZ ARG A 65 -8.787 5.850 13.326 1.00 2.25 C ATOM 987 NH1 ARG A 65 -9.404 5.342 12.269 1.00 1.87 N ATOM 988 NH2 ARG A 65 -9.250 5.606 14.544 1.00 3.12 N ATOM 0 H ARG A 65 -4.144 7.771 8.400 1.00 0.69 H new ATOM 0 HA ARG A 65 -6.750 8.174 9.474 1.00 0.82 H new ATOM 0 HB2 ARG A 65 -4.878 6.702 10.364 1.00 0.89 H new ATOM 0 HB3 ARG A 65 -4.054 8.160 10.879 1.00 0.89 H new ATOM 0 HG2 ARG A 65 -5.206 7.259 12.783 1.00 1.36 H new ATOM 0 HG3 ARG A 65 -6.035 8.729 12.312 1.00 1.36 H new ATOM 0 HD2 ARG A 65 -7.831 7.514 11.282 1.00 1.44 H new ATOM 0 HD3 ARG A 65 -6.936 6.007 11.316 1.00 1.44 H new ATOM 0 HE ARG A 65 -7.261 6.994 13.999 1.00 2.20 H new ATOM 0 HH11 ARG A 65 -9.051 5.534 11.331 1.00 1.87 H new ATOM 0 HH12 ARG A 65 -10.232 4.759 12.393 1.00 1.87 H new ATOM 0 HH21 ARG A 65 -8.778 6.001 15.358 1.00 3.12 H new ATOM 0 HH22 ARG A 65 -10.078 5.023 14.668 1.00 3.12 H new ATOM 1002 N GLU A 66 -4.594 10.654 9.697 1.00 0.79 N ATOM 1003 CA GLU A 66 -4.463 12.076 9.991 1.00 0.88 C ATOM 1004 C GLU A 66 -5.176 12.944 8.959 1.00 0.89 C ATOM 1005 O GLU A 66 -5.748 13.979 9.294 1.00 1.00 O ATOM 1006 CB GLU A 66 -2.989 12.471 10.030 1.00 0.90 C ATOM 1007 CG GLU A 66 -2.177 11.739 11.084 1.00 1.05 C ATOM 1008 CD GLU A 66 -0.761 12.266 11.186 1.00 1.33 C ATOM 1009 OE1 GLU A 66 -0.461 13.302 10.562 1.00 1.82 O ATOM 1010 OE2 GLU A 66 0.060 11.649 11.895 1.00 1.38 O ATOM 0 H GLU A 66 -3.747 10.220 9.330 1.00 0.79 H new ATOM 0 HA GLU A 66 -4.928 12.244 10.962 1.00 0.88 H new ATOM 0 HB2 GLU A 66 -2.548 12.282 9.051 1.00 0.90 H new ATOM 0 HB3 GLU A 66 -2.916 13.543 10.211 1.00 0.90 H new ATOM 0 HG2 GLU A 66 -2.669 11.837 12.052 1.00 1.05 H new ATOM 0 HG3 GLU A 66 -2.150 10.676 10.846 1.00 1.05 H new ATOM 1017 N ASN A 67 -5.151 12.518 7.704 1.00 0.82 N ATOM 1018 CA ASN A 67 -5.761 13.294 6.626 1.00 0.87 C ATOM 1019 C ASN A 67 -7.184 12.855 6.332 1.00 0.89 C ATOM 1020 O ASN A 67 -7.825 13.401 5.435 1.00 0.97 O ATOM 1021 CB ASN A 67 -4.923 13.184 5.352 1.00 0.86 C ATOM 1022 CG ASN A 67 -3.687 14.053 5.398 1.00 0.93 C ATOM 1023 OD1 ASN A 67 -3.690 15.181 4.912 1.00 1.40 O ATOM 1024 ND2 ASN A 67 -2.623 13.539 5.991 1.00 1.09 N ATOM 0 H ASN A 67 -4.718 11.644 7.405 1.00 0.82 H new ATOM 0 HA ASN A 67 -5.794 14.330 6.962 1.00 0.87 H new ATOM 0 HB2 ASN A 67 -4.628 12.145 5.203 1.00 0.86 H new ATOM 0 HB3 ASN A 67 -5.532 13.469 4.494 1.00 0.86 H new ATOM 0 HD21 ASN A 67 -1.763 14.084 6.057 1.00 1.09 H new ATOM 0 HD22 ASN A 67 -2.662 12.598 6.382 1.00 1.09 H new ATOM 1031 N ASN A 68 -7.670 11.879 7.091 1.00 0.88 N ATOM 1032 CA ASN A 68 -9.018 11.344 6.903 1.00 0.94 C ATOM 1033 C ASN A 68 -9.202 10.905 5.455 1.00 0.87 C ATOM 1034 O ASN A 68 -9.996 11.473 4.702 1.00 0.94 O ATOM 1035 CB ASN A 68 -10.087 12.375 7.289 1.00 1.10 C ATOM 1036 CG ASN A 68 -11.457 11.740 7.462 1.00 1.54 C ATOM 1037 OD1 ASN A 68 -12.238 11.641 6.515 1.00 1.99 O ATOM 1038 ND2 ASN A 68 -11.760 11.305 8.674 1.00 2.18 N ATOM 0 H ASN A 68 -7.148 11.438 7.848 1.00 0.88 H new ATOM 0 HA ASN A 68 -9.138 10.482 7.559 1.00 0.94 H new ATOM 0 HB2 ASN A 68 -9.797 12.868 8.217 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -10.140 13.147 6.521 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -12.666 10.870 8.848 1.00 2.18 H new ATOM 0 HD22 ASN A 68 -11.087 11.404 9.434 1.00 2.18 H new ATOM 1045 N LEU A 69 -8.436 9.903 5.063 1.00 0.78 N ATOM 1046 CA LEU A 69 -8.490 9.396 3.706 1.00 0.73 C ATOM 1047 C LEU A 69 -9.068 7.990 3.667 1.00 0.70 C ATOM 1048 O LEU A 69 -8.770 7.151 4.521 1.00 0.70 O ATOM 1049 CB LEU A 69 -7.095 9.401 3.076 1.00 0.66 C ATOM 1050 CG LEU A 69 -6.400 10.765 3.012 1.00 0.71 C ATOM 1051 CD1 LEU A 69 -5.000 10.622 2.435 1.00 0.68 C ATOM 1052 CD2 LEU A 69 -7.219 11.751 2.187 1.00 0.77 C ATOM 0 H LEU A 69 -7.768 9.424 5.667 1.00 0.78 H new ATOM 0 HA LEU A 69 -9.144 10.053 3.132 1.00 0.73 H new ATOM 0 HB2 LEU A 69 -6.460 8.716 3.638 1.00 0.66 H new ATOM 0 HB3 LEU A 69 -7.172 9.005 2.063 1.00 0.66 H new ATOM 0 HG LEU A 69 -6.319 11.155 4.027 1.00 0.71 H new ATOM 0 HD11 LEU A 69 -4.521 11.600 2.397 1.00 0.68 H new ATOM 0 HD12 LEU A 69 -4.413 9.955 3.066 1.00 0.68 H new ATOM 0 HD13 LEU A 69 -5.062 10.209 1.428 1.00 0.68 H new ATOM 0 HD21 LEU A 69 -6.707 12.713 2.155 1.00 0.77 H new ATOM 0 HD22 LEU A 69 -7.336 11.368 1.173 1.00 0.77 H new ATOM 0 HD23 LEU A 69 -8.201 11.878 2.642 1.00 0.77 H new ATOM 1064 N LYS A 70 -9.914 7.757 2.683 1.00 0.72 N ATOM 1065 CA LYS A 70 -10.530 6.462 2.479 1.00 0.70 C ATOM 1066 C LYS A 70 -9.589 5.591 1.664 1.00 0.62 C ATOM 1067 O LYS A 70 -9.168 5.978 0.572 1.00 0.60 O ATOM 1068 CB LYS A 70 -11.870 6.633 1.766 1.00 0.76 C ATOM 1069 CG LYS A 70 -12.997 7.064 2.697 1.00 0.80 C ATOM 1070 CD LYS A 70 -14.164 7.662 1.930 1.00 1.70 C ATOM 1071 CE LYS A 70 -13.939 9.137 1.631 1.00 1.93 C ATOM 1072 NZ LYS A 70 -14.985 9.686 0.732 1.00 3.05 N ATOM 0 H LYS A 70 -10.194 8.462 2.001 1.00 0.72 H new ATOM 0 HA LYS A 70 -10.716 5.980 3.439 1.00 0.70 H new ATOM 0 HB2 LYS A 70 -11.760 7.373 0.973 1.00 0.76 H new ATOM 0 HB3 LYS A 70 -12.142 5.692 1.288 1.00 0.76 H new ATOM 0 HG2 LYS A 70 -13.342 6.205 3.272 1.00 0.80 H new ATOM 0 HG3 LYS A 70 -12.619 7.795 3.412 1.00 0.80 H new ATOM 0 HD2 LYS A 70 -14.304 7.118 0.996 1.00 1.70 H new ATOM 0 HD3 LYS A 70 -15.080 7.543 2.509 1.00 1.70 H new ATOM 0 HE2 LYS A 70 -13.931 9.699 2.565 1.00 1.93 H new ATOM 0 HE3 LYS A 70 -12.960 9.269 1.171 1.00 1.93 H new ATOM 0 HZ1 LYS A 70 -14.750 10.668 0.485 1.00 3.05 H new ATOM 0 HZ2 LYS A 70 -15.034 9.113 -0.135 1.00 3.05 H new ATOM 0 HZ3 LYS A 70 -15.906 9.662 1.215 1.00 3.05 H new ATOM 1086 N ILE A 71 -9.248 4.427 2.193 1.00 0.62 N ATOM 1087 CA ILE A 71 -8.319 3.542 1.512 1.00 0.57 C ATOM 1088 C ILE A 71 -9.031 2.481 0.681 1.00 0.56 C ATOM 1089 O ILE A 71 -9.976 1.829 1.139 1.00 0.62 O ATOM 1090 CB ILE A 71 -7.359 2.847 2.505 1.00 0.59 C ATOM 1091 CG1 ILE A 71 -6.786 3.862 3.502 1.00 0.60 C ATOM 1092 CG2 ILE A 71 -6.233 2.146 1.751 1.00 0.64 C ATOM 1093 CD1 ILE A 71 -5.827 3.256 4.508 1.00 0.86 C ATOM 0 H ILE A 71 -9.598 4.076 3.084 1.00 0.62 H new ATOM 0 HA ILE A 71 -7.743 4.178 0.841 1.00 0.57 H new ATOM 0 HB ILE A 71 -7.922 2.099 3.063 1.00 0.59 H new ATOM 0 HG12 ILE A 71 -6.270 4.648 2.950 1.00 0.60 H new ATOM 0 HG13 ILE A 71 -7.609 4.336 4.038 1.00 0.60 H new ATOM 0 HG21 ILE A 71 -5.565 1.661 2.463 1.00 0.64 H new ATOM 0 HG22 ILE A 71 -6.655 1.397 1.081 1.00 0.64 H new ATOM 0 HG23 ILE A 71 -5.673 2.879 1.169 1.00 0.64 H new ATOM 0 HD11 ILE A 71 -5.464 4.034 5.179 1.00 0.86 H new ATOM 0 HD12 ILE A 71 -6.343 2.490 5.087 1.00 0.86 H new ATOM 0 HD13 ILE A 71 -4.984 2.807 3.983 1.00 0.86 H new ATOM 1105 N ILE A 72 -8.569 2.342 -0.552 1.00 0.53 N ATOM 1106 CA ILE A 72 -9.077 1.354 -1.489 1.00 0.54 C ATOM 1107 C ILE A 72 -7.887 0.771 -2.247 1.00 0.50 C ATOM 1108 O ILE A 72 -7.047 1.518 -2.748 1.00 0.75 O ATOM 1109 CB ILE A 72 -10.102 1.956 -2.483 1.00 0.58 C ATOM 1110 CG1 ILE A 72 -9.809 3.438 -2.744 1.00 0.59 C ATOM 1111 CG2 ILE A 72 -11.519 1.786 -1.949 1.00 0.65 C ATOM 1112 CD1 ILE A 72 -10.716 4.071 -3.781 1.00 0.99 C ATOM 0 H ILE A 72 -7.821 2.920 -0.934 1.00 0.53 H new ATOM 0 HA ILE A 72 -9.605 0.579 -0.932 1.00 0.54 H new ATOM 0 HB ILE A 72 -10.013 1.420 -3.428 1.00 0.58 H new ATOM 0 HG12 ILE A 72 -9.905 3.988 -1.808 1.00 0.59 H new ATOM 0 HG13 ILE A 72 -8.774 3.542 -3.069 1.00 0.59 H new ATOM 0 HG21 ILE A 72 -12.229 2.213 -2.657 1.00 0.65 H new ATOM 0 HG22 ILE A 72 -11.733 0.725 -1.816 1.00 0.65 H new ATOM 0 HG23 ILE A 72 -11.610 2.297 -0.991 1.00 0.65 H new ATOM 0 HD11 ILE A 72 -10.446 5.119 -3.909 1.00 0.99 H new ATOM 0 HD12 ILE A 72 -10.603 3.548 -4.731 1.00 0.99 H new ATOM 0 HD13 ILE A 72 -11.752 4.001 -3.449 1.00 0.99 H new ATOM 1124 N ALA A 73 -7.789 -0.548 -2.316 1.00 0.44 N ATOM 1125 CA ALA A 73 -6.652 -1.173 -2.980 1.00 0.43 C ATOM 1126 C ALA A 73 -7.073 -2.072 -4.132 1.00 0.43 C ATOM 1127 O ALA A 73 -8.119 -2.715 -4.085 1.00 0.47 O ATOM 1128 CB ALA A 73 -5.833 -1.967 -1.973 1.00 0.50 C ATOM 0 H ALA A 73 -8.471 -1.199 -1.927 1.00 0.44 H new ATOM 0 HA ALA A 73 -6.045 -0.372 -3.401 1.00 0.43 H new ATOM 0 HB1 ALA A 73 -4.986 -2.431 -2.478 1.00 0.50 H new ATOM 0 HB2 ALA A 73 -5.469 -1.299 -1.192 1.00 0.50 H new ATOM 0 HB3 ALA A 73 -6.457 -2.741 -1.526 1.00 0.50 H new ATOM 1134 N SER A 74 -6.246 -2.097 -5.170 1.00 0.48 N ATOM 1135 CA SER A 74 -6.493 -2.927 -6.339 1.00 0.53 C ATOM 1136 C SER A 74 -5.440 -4.034 -6.429 1.00 0.46 C ATOM 1137 O SER A 74 -5.539 -4.947 -7.253 1.00 0.55 O ATOM 1138 CB SER A 74 -6.464 -2.059 -7.597 1.00 0.69 C ATOM 1139 OG SER A 74 -7.113 -0.814 -7.369 1.00 0.94 O ATOM 0 H SER A 74 -5.390 -1.545 -5.224 1.00 0.48 H new ATOM 0 HA SER A 74 -7.475 -3.392 -6.251 1.00 0.53 H new ATOM 0 HB2 SER A 74 -5.432 -1.885 -7.900 1.00 0.69 H new ATOM 0 HB3 SER A 74 -6.953 -2.584 -8.417 1.00 0.69 H new ATOM 0 HG SER A 74 -7.506 -0.492 -8.207 1.00 0.94 H new ATOM 1145 N CYS A 75 -4.432 -3.943 -5.568 1.00 0.45 N ATOM 1146 CA CYS A 75 -3.355 -4.922 -5.532 1.00 0.48 C ATOM 1147 C CYS A 75 -3.682 -6.039 -4.552 1.00 0.45 C ATOM 1148 O CYS A 75 -4.149 -5.782 -3.442 1.00 0.41 O ATOM 1149 CB CYS A 75 -2.046 -4.245 -5.131 1.00 0.59 C ATOM 1150 SG CYS A 75 -2.019 -2.469 -5.453 1.00 1.31 S ATOM 0 H CYS A 75 -4.340 -3.194 -4.881 1.00 0.45 H new ATOM 0 HA CYS A 75 -3.245 -5.353 -6.527 1.00 0.48 H new ATOM 0 HB2 CYS A 75 -1.870 -4.415 -4.069 1.00 0.59 H new ATOM 0 HB3 CYS A 75 -1.224 -4.716 -5.670 1.00 0.59 H new ATOM 0 HG CYS A 75 -2.144 -2.257 -6.730 1.00 1.31 H new ATOM 1156 N SER A 76 -3.420 -7.269 -4.970 1.00 0.57 N ATOM 1157 CA SER A 76 -3.686 -8.449 -4.156 1.00 0.64 C ATOM 1158 C SER A 76 -2.998 -8.376 -2.790 1.00 0.61 C ATOM 1159 O SER A 76 -3.624 -8.623 -1.763 1.00 0.61 O ATOM 1160 CB SER A 76 -3.220 -9.689 -4.913 1.00 0.82 C ATOM 1161 OG SER A 76 -3.262 -9.460 -6.314 1.00 1.12 O ATOM 0 H SER A 76 -3.017 -7.478 -5.883 1.00 0.57 H new ATOM 0 HA SER A 76 -4.759 -8.500 -3.970 1.00 0.64 H new ATOM 0 HB2 SER A 76 -2.205 -9.947 -4.611 1.00 0.82 H new ATOM 0 HB3 SER A 76 -3.854 -10.538 -4.658 1.00 0.82 H new ATOM 0 HG SER A 76 -2.959 -10.263 -6.786 1.00 1.12 H new ATOM 1167 N PHE A 77 -1.717 -8.021 -2.788 1.00 0.63 N ATOM 1168 CA PHE A 77 -0.945 -7.934 -1.552 1.00 0.62 C ATOM 1169 C PHE A 77 -1.506 -6.878 -0.609 1.00 0.55 C ATOM 1170 O PHE A 77 -1.811 -7.170 0.547 1.00 0.58 O ATOM 1171 CB PHE A 77 0.522 -7.625 -1.854 1.00 0.68 C ATOM 1172 CG PHE A 77 1.404 -7.679 -0.638 1.00 0.74 C ATOM 1173 CD1 PHE A 77 1.642 -8.881 0.005 1.00 0.83 C ATOM 1174 CD2 PHE A 77 1.994 -6.528 -0.138 1.00 0.77 C ATOM 1175 CE1 PHE A 77 2.450 -8.937 1.121 1.00 0.93 C ATOM 1176 CE2 PHE A 77 2.804 -6.578 0.981 1.00 0.87 C ATOM 1177 CZ PHE A 77 3.032 -7.786 1.612 1.00 0.95 C ATOM 0 H PHE A 77 -1.190 -7.788 -3.630 1.00 0.63 H new ATOM 0 HA PHE A 77 -1.017 -8.904 -1.059 1.00 0.62 H new ATOM 0 HB2 PHE A 77 0.891 -8.336 -2.594 1.00 0.68 H new ATOM 0 HB3 PHE A 77 0.593 -6.634 -2.302 1.00 0.68 H new ATOM 0 HD1 PHE A 77 1.189 -9.786 -0.372 1.00 0.83 H new ATOM 0 HD2 PHE A 77 1.819 -5.582 -0.628 1.00 0.77 H new ATOM 0 HE1 PHE A 77 2.628 -9.883 1.611 1.00 0.93 H new ATOM 0 HE2 PHE A 77 3.258 -5.675 1.361 1.00 0.87 H new ATOM 0 HZ PHE A 77 3.664 -7.829 2.487 1.00 0.95 H new ATOM 1187 N ALA A 78 -1.641 -5.654 -1.107 1.00 0.50 N ATOM 1188 CA ALA A 78 -2.153 -4.553 -0.302 1.00 0.46 C ATOM 1189 C ALA A 78 -3.551 -4.862 0.224 1.00 0.44 C ATOM 1190 O ALA A 78 -3.837 -4.654 1.401 1.00 0.45 O ATOM 1191 CB ALA A 78 -2.155 -3.263 -1.107 1.00 0.47 C ATOM 0 H ALA A 78 -1.402 -5.400 -2.066 1.00 0.50 H new ATOM 0 HA ALA A 78 -1.493 -4.425 0.556 1.00 0.46 H new ATOM 0 HB1 ALA A 78 -2.540 -2.450 -0.491 1.00 0.47 H new ATOM 0 HB2 ALA A 78 -1.138 -3.029 -1.422 1.00 0.47 H new ATOM 0 HB3 ALA A 78 -2.788 -3.384 -1.986 1.00 0.47 H new ATOM 1197 N LYS A 79 -4.409 -5.380 -0.649 1.00 0.44 N ATOM 1198 CA LYS A 79 -5.773 -5.729 -0.269 1.00 0.47 C ATOM 1199 C LYS A 79 -5.761 -6.804 0.814 1.00 0.52 C ATOM 1200 O LYS A 79 -6.453 -6.689 1.823 1.00 0.55 O ATOM 1201 CB LYS A 79 -6.549 -6.215 -1.494 1.00 0.51 C ATOM 1202 CG LYS A 79 -8.020 -6.488 -1.226 1.00 0.63 C ATOM 1203 CD LYS A 79 -8.761 -6.827 -2.509 1.00 0.87 C ATOM 1204 CE LYS A 79 -10.228 -7.127 -2.246 1.00 1.11 C ATOM 1205 NZ LYS A 79 -10.414 -8.416 -1.527 1.00 1.27 N ATOM 0 H LYS A 79 -4.183 -5.568 -1.626 1.00 0.44 H new ATOM 0 HA LYS A 79 -6.266 -4.842 0.129 1.00 0.47 H new ATOM 0 HB2 LYS A 79 -6.467 -5.468 -2.283 1.00 0.51 H new ATOM 0 HB3 LYS A 79 -6.083 -7.127 -1.868 1.00 0.51 H new ATOM 0 HG2 LYS A 79 -8.116 -7.312 -0.519 1.00 0.63 H new ATOM 0 HG3 LYS A 79 -8.475 -5.614 -0.760 1.00 0.63 H new ATOM 0 HD2 LYS A 79 -8.679 -5.995 -3.208 1.00 0.87 H new ATOM 0 HD3 LYS A 79 -8.292 -7.689 -2.984 1.00 0.87 H new ATOM 0 HE2 LYS A 79 -10.664 -6.318 -1.659 1.00 1.11 H new ATOM 0 HE3 LYS A 79 -10.767 -7.159 -3.193 1.00 1.11 H new ATOM 0 HZ1 LYS A 79 -11.342 -8.818 -1.770 1.00 1.27 H new ATOM 0 HZ2 LYS A 79 -9.664 -9.081 -1.806 1.00 1.27 H new ATOM 0 HZ3 LYS A 79 -10.366 -8.251 -0.501 1.00 1.27 H new ATOM 1219 N HIS A 80 -4.951 -7.836 0.603 1.00 0.56 N ATOM 1220 CA HIS A 80 -4.829 -8.927 1.560 1.00 0.64 C ATOM 1221 C HIS A 80 -4.336 -8.405 2.903 1.00 0.60 C ATOM 1222 O HIS A 80 -4.850 -8.788 3.948 1.00 0.60 O ATOM 1223 CB HIS A 80 -3.860 -9.997 1.039 1.00 0.77 C ATOM 1224 CG HIS A 80 -3.728 -11.196 1.934 1.00 0.90 C ATOM 1225 ND1 HIS A 80 -2.869 -11.457 2.951 1.00 1.09 N flip ATOM 1226 CD2 HIS A 80 -4.542 -12.303 1.833 1.00 0.99 C flip ATOM 1227 CE1 HIS A 80 -3.183 -12.701 3.436 1.00 1.21 C flip ATOM 1228 NE2 HIS A 80 -4.195 -13.188 2.747 1.00 1.13 N flip ATOM 0 H HIS A 80 -4.367 -7.939 -0.227 1.00 0.56 H new ATOM 0 HA HIS A 80 -5.815 -9.374 1.690 1.00 0.64 H new ATOM 0 HB2 HIS A 80 -4.195 -10.327 0.056 1.00 0.77 H new ATOM 0 HB3 HIS A 80 -2.876 -9.547 0.906 1.00 0.77 H new ATOM 0 HD2 HIS A 80 -5.340 -12.427 1.116 1.00 0.99 H new ATOM 0 HE1 HIS A 80 -2.681 -13.201 4.251 1.00 1.21 H new ATOM 0 HE2 HIS A 80 -4.636 -14.096 2.895 1.00 1.13 H new ATOM 1237 N MET A 81 -3.347 -7.525 2.859 1.00 0.58 N ATOM 1238 CA MET A 81 -2.763 -6.955 4.067 1.00 0.59 C ATOM 1239 C MET A 81 -3.771 -6.098 4.827 1.00 0.54 C ATOM 1240 O MET A 81 -3.896 -6.210 6.049 1.00 0.58 O ATOM 1241 CB MET A 81 -1.535 -6.121 3.709 1.00 0.64 C ATOM 1242 CG MET A 81 -0.283 -6.948 3.467 1.00 1.25 C ATOM 1243 SD MET A 81 0.350 -7.707 4.975 1.00 1.51 S ATOM 1244 CE MET A 81 0.703 -6.249 5.954 1.00 1.09 C ATOM 0 H MET A 81 -2.928 -7.187 1.993 1.00 0.58 H new ATOM 0 HA MET A 81 -2.468 -7.779 4.716 1.00 0.59 H new ATOM 0 HB2 MET A 81 -1.752 -5.537 2.815 1.00 0.64 H new ATOM 0 HB3 MET A 81 -1.341 -5.412 4.514 1.00 0.64 H new ATOM 0 HG2 MET A 81 -0.502 -7.727 2.737 1.00 1.25 H new ATOM 0 HG3 MET A 81 0.489 -6.313 3.033 1.00 1.25 H new ATOM 0 HE1 MET A 81 1.354 -6.518 6.786 1.00 1.09 H new ATOM 0 HE2 MET A 81 1.199 -5.504 5.332 1.00 1.09 H new ATOM 0 HE3 MET A 81 -0.229 -5.836 6.341 1.00 1.09 H new ATOM 1254 N LEU A 82 -4.496 -5.257 4.100 1.00 0.50 N ATOM 1255 CA LEU A 82 -5.492 -4.377 4.706 1.00 0.51 C ATOM 1256 C LEU A 82 -6.639 -5.182 5.307 1.00 0.56 C ATOM 1257 O LEU A 82 -7.165 -4.839 6.365 1.00 0.58 O ATOM 1258 CB LEU A 82 -6.023 -3.388 3.668 1.00 0.53 C ATOM 1259 CG LEU A 82 -5.037 -2.288 3.263 1.00 0.52 C ATOM 1260 CD1 LEU A 82 -5.426 -1.687 1.923 1.00 0.58 C ATOM 1261 CD2 LEU A 82 -4.974 -1.210 4.337 1.00 0.49 C ATOM 0 H LEU A 82 -4.414 -5.164 3.088 1.00 0.50 H new ATOM 0 HA LEU A 82 -5.011 -3.821 5.511 1.00 0.51 H new ATOM 0 HB2 LEU A 82 -6.314 -3.942 2.775 1.00 0.53 H new ATOM 0 HB3 LEU A 82 -6.925 -2.920 4.061 1.00 0.53 H new ATOM 0 HG LEU A 82 -4.047 -2.732 3.162 1.00 0.52 H new ATOM 0 HD11 LEU A 82 -4.713 -0.908 1.653 1.00 0.58 H new ATOM 0 HD12 LEU A 82 -5.419 -2.465 1.160 1.00 0.58 H new ATOM 0 HD13 LEU A 82 -6.425 -1.257 1.994 1.00 0.58 H new ATOM 0 HD21 LEU A 82 -4.269 -0.436 4.034 1.00 0.49 H new ATOM 0 HD22 LEU A 82 -5.962 -0.770 4.469 1.00 0.49 H new ATOM 0 HD23 LEU A 82 -4.645 -1.652 5.278 1.00 0.49 H new ATOM 1273 N GLU A 83 -7.012 -6.262 4.634 1.00 0.62 N ATOM 1274 CA GLU A 83 -8.087 -7.126 5.106 1.00 0.70 C ATOM 1275 C GLU A 83 -7.589 -8.059 6.204 1.00 0.68 C ATOM 1276 O GLU A 83 -8.375 -8.677 6.922 1.00 0.72 O ATOM 1277 CB GLU A 83 -8.657 -7.939 3.950 1.00 0.85 C ATOM 1278 CG GLU A 83 -9.387 -7.095 2.923 1.00 1.15 C ATOM 1279 CD GLU A 83 -10.294 -7.923 2.050 1.00 1.25 C ATOM 1280 OE1 GLU A 83 -9.810 -8.501 1.058 1.00 1.46 O ATOM 1281 OE2 GLU A 83 -11.500 -8.010 2.358 1.00 1.45 O ATOM 0 H GLU A 83 -6.585 -6.562 3.757 1.00 0.62 H new ATOM 0 HA GLU A 83 -8.874 -6.495 5.519 1.00 0.70 H new ATOM 0 HB2 GLU A 83 -7.846 -8.476 3.458 1.00 0.85 H new ATOM 0 HB3 GLU A 83 -9.342 -8.689 4.346 1.00 0.85 H new ATOM 0 HG2 GLU A 83 -9.974 -6.331 3.433 1.00 1.15 H new ATOM 0 HG3 GLU A 83 -8.660 -6.575 2.299 1.00 1.15 H new ATOM 1288 N LYS A 84 -6.276 -8.176 6.310 1.00 0.67 N ATOM 1289 CA LYS A 84 -5.662 -9.018 7.318 1.00 0.69 C ATOM 1290 C LYS A 84 -5.623 -8.285 8.652 1.00 0.68 C ATOM 1291 O LYS A 84 -6.095 -8.790 9.670 1.00 0.67 O ATOM 1292 CB LYS A 84 -4.248 -9.398 6.880 1.00 0.76 C ATOM 1293 CG LYS A 84 -3.489 -10.241 7.889 1.00 0.99 C ATOM 1294 CD LYS A 84 -1.989 -10.061 7.740 1.00 1.43 C ATOM 1295 CE LYS A 84 -1.535 -8.721 8.300 1.00 1.94 C ATOM 1296 NZ LYS A 84 -1.240 -8.802 9.754 1.00 2.33 N ATOM 0 H LYS A 84 -5.612 -7.694 5.704 1.00 0.67 H new ATOM 0 HA LYS A 84 -6.251 -9.927 7.436 1.00 0.69 H new ATOM 0 HB2 LYS A 84 -4.306 -9.943 5.938 1.00 0.76 H new ATOM 0 HB3 LYS A 84 -3.682 -8.487 6.686 1.00 0.76 H new ATOM 0 HG2 LYS A 84 -3.792 -9.964 8.899 1.00 0.99 H new ATOM 0 HG3 LYS A 84 -3.747 -11.292 7.755 1.00 0.99 H new ATOM 0 HD2 LYS A 84 -1.470 -10.868 8.257 1.00 1.43 H new ATOM 0 HD3 LYS A 84 -1.715 -10.129 6.687 1.00 1.43 H new ATOM 0 HE2 LYS A 84 -0.645 -8.387 7.767 1.00 1.94 H new ATOM 0 HE3 LYS A 84 -2.309 -7.974 8.127 1.00 1.94 H new ATOM 0 HZ1 LYS A 84 -1.099 -7.844 10.134 1.00 2.33 H new ATOM 0 HZ2 LYS A 84 -2.037 -9.255 10.245 1.00 2.33 H new ATOM 0 HZ3 LYS A 84 -0.377 -9.363 9.902 1.00 2.33 H new ATOM 1310 N GLU A 85 -5.075 -7.078 8.627 1.00 0.84 N ATOM 1311 CA GLU A 85 -4.965 -6.264 9.825 1.00 0.96 C ATOM 1312 C GLU A 85 -6.292 -5.583 10.130 1.00 0.93 C ATOM 1313 O GLU A 85 -6.733 -4.706 9.385 1.00 0.86 O ATOM 1314 CB GLU A 85 -3.873 -5.214 9.645 1.00 1.07 C ATOM 1315 CG GLU A 85 -3.144 -4.867 10.930 1.00 1.07 C ATOM 1316 CD GLU A 85 -2.429 -6.061 11.519 1.00 1.29 C ATOM 1317 OE1 GLU A 85 -1.372 -6.452 10.988 1.00 1.49 O ATOM 1318 OE2 GLU A 85 -2.916 -6.609 12.527 1.00 1.60 O ATOM 0 H GLU A 85 -4.699 -6.641 7.785 1.00 0.84 H new ATOM 0 HA GLU A 85 -4.704 -6.912 10.662 1.00 0.96 H new ATOM 0 HB2 GLU A 85 -3.150 -5.576 8.914 1.00 1.07 H new ATOM 0 HB3 GLU A 85 -4.317 -4.308 9.233 1.00 1.07 H new ATOM 0 HG2 GLU A 85 -2.423 -4.074 10.734 1.00 1.07 H new ATOM 0 HG3 GLU A 85 -3.857 -4.477 11.657 1.00 1.07 H new ATOM 1325 N ASP A 86 -6.923 -5.987 11.223 1.00 1.07 N ATOM 1326 CA ASP A 86 -8.207 -5.415 11.623 1.00 1.10 C ATOM 1327 C ASP A 86 -8.070 -3.923 11.916 1.00 1.02 C ATOM 1328 O ASP A 86 -8.987 -3.143 11.671 1.00 0.99 O ATOM 1329 CB ASP A 86 -8.756 -6.141 12.853 1.00 1.36 C ATOM 1330 CG ASP A 86 -10.171 -5.713 13.191 1.00 1.96 C ATOM 1331 OD1 ASP A 86 -11.081 -5.929 12.363 1.00 2.66 O ATOM 1332 OD2 ASP A 86 -10.382 -5.148 14.284 1.00 2.27 O ATOM 0 H ASP A 86 -6.569 -6.709 11.851 1.00 1.07 H new ATOM 0 HA ASP A 86 -8.905 -5.543 10.796 1.00 1.10 H new ATOM 0 HB2 ASP A 86 -8.737 -7.216 12.676 1.00 1.36 H new ATOM 0 HB3 ASP A 86 -8.107 -5.947 13.707 1.00 1.36 H new ATOM 1337 N SER A 87 -6.906 -3.534 12.415 1.00 1.05 N ATOM 1338 CA SER A 87 -6.628 -2.144 12.748 1.00 1.08 C ATOM 1339 C SER A 87 -6.637 -1.253 11.501 1.00 0.93 C ATOM 1340 O SER A 87 -6.910 -0.055 11.582 1.00 0.97 O ATOM 1341 CB SER A 87 -5.273 -2.064 13.446 1.00 1.27 C ATOM 1342 OG SER A 87 -4.750 -3.367 13.669 1.00 1.46 O ATOM 0 H SER A 87 -6.130 -4.170 12.600 1.00 1.05 H new ATOM 0 HA SER A 87 -7.412 -1.780 13.412 1.00 1.08 H new ATOM 0 HB2 SER A 87 -4.578 -1.486 12.838 1.00 1.27 H new ATOM 0 HB3 SER A 87 -5.377 -1.540 14.396 1.00 1.27 H new ATOM 0 HG SER A 87 -3.880 -3.298 14.116 1.00 1.46 H new ATOM 1348 N TYR A 88 -6.354 -1.843 10.345 1.00 0.91 N ATOM 1349 CA TYR A 88 -6.316 -1.088 9.096 1.00 0.88 C ATOM 1350 C TYR A 88 -7.691 -1.051 8.436 1.00 0.89 C ATOM 1351 O TYR A 88 -7.960 -0.200 7.589 1.00 0.80 O ATOM 1352 CB TYR A 88 -5.303 -1.704 8.124 1.00 0.93 C ATOM 1353 CG TYR A 88 -3.862 -1.678 8.603 1.00 0.89 C ATOM 1354 CD1 TYR A 88 -3.479 -0.956 9.730 1.00 0.93 C ATOM 1355 CD2 TYR A 88 -2.879 -2.381 7.915 1.00 0.95 C ATOM 1356 CE1 TYR A 88 -2.164 -0.939 10.155 1.00 0.94 C ATOM 1357 CE2 TYR A 88 -1.563 -2.366 8.334 1.00 0.97 C ATOM 1358 CZ TYR A 88 -1.212 -1.645 9.453 1.00 0.93 C ATOM 1359 OH TYR A 88 0.098 -1.631 9.870 1.00 1.00 O ATOM 0 H TYR A 88 -6.148 -2.837 10.246 1.00 0.91 H new ATOM 0 HA TYR A 88 -6.012 -0.069 9.336 1.00 0.88 H new ATOM 0 HB2 TYR A 88 -5.588 -2.738 7.932 1.00 0.93 H new ATOM 0 HB3 TYR A 88 -5.365 -1.174 7.173 1.00 0.93 H new ATOM 0 HD1 TYR A 88 -4.222 -0.400 10.282 1.00 0.93 H new ATOM 0 HD2 TYR A 88 -3.150 -2.949 7.037 1.00 0.95 H new ATOM 0 HE1 TYR A 88 -1.884 -0.375 11.033 1.00 0.94 H new ATOM 0 HE2 TYR A 88 -0.813 -2.917 7.786 1.00 0.97 H new ATOM 0 HH TYR A 88 0.640 -2.180 9.265 1.00 1.00 H new ATOM 1369 N GLN A 89 -8.568 -1.953 8.851 1.00 1.08 N ATOM 1370 CA GLN A 89 -9.907 -2.044 8.276 1.00 1.18 C ATOM 1371 C GLN A 89 -10.823 -0.912 8.740 1.00 1.16 C ATOM 1372 O GLN A 89 -11.969 -0.817 8.297 1.00 1.26 O ATOM 1373 CB GLN A 89 -10.530 -3.395 8.611 1.00 1.43 C ATOM 1374 CG GLN A 89 -10.249 -4.456 7.561 1.00 1.61 C ATOM 1375 CD GLN A 89 -10.292 -5.860 8.125 1.00 1.98 C ATOM 1376 OE1 GLN A 89 -11.340 -6.504 8.152 1.00 2.42 O ATOM 1377 NE2 GLN A 89 -9.147 -6.346 8.570 1.00 2.33 N ATOM 0 H GLN A 89 -8.378 -2.635 9.585 1.00 1.08 H new ATOM 0 HA GLN A 89 -9.800 -1.946 7.196 1.00 1.18 H new ATOM 0 HB2 GLN A 89 -10.150 -3.735 9.574 1.00 1.43 H new ATOM 0 HB3 GLN A 89 -11.608 -3.275 8.719 1.00 1.43 H new ATOM 0 HG2 GLN A 89 -10.980 -4.369 6.757 1.00 1.61 H new ATOM 0 HG3 GLN A 89 -9.268 -4.275 7.121 1.00 1.61 H new ATOM 0 HE21 GLN A 89 -8.301 -5.777 8.529 1.00 2.33 H new ATOM 0 HE22 GLN A 89 -9.109 -7.290 8.955 1.00 2.33 H new ATOM 1386 N ASP A 90 -10.328 -0.058 9.627 1.00 1.11 N ATOM 1387 CA ASP A 90 -11.126 1.064 10.106 1.00 1.17 C ATOM 1388 C ASP A 90 -11.076 2.201 9.093 1.00 1.09 C ATOM 1389 O ASP A 90 -12.012 2.988 8.978 1.00 1.33 O ATOM 1390 CB ASP A 90 -10.639 1.558 11.470 1.00 1.18 C ATOM 1391 CG ASP A 90 -11.667 2.443 12.152 1.00 1.69 C ATOM 1392 OD1 ASP A 90 -12.754 1.937 12.505 1.00 2.44 O ATOM 1393 OD2 ASP A 90 -11.399 3.649 12.346 1.00 2.03 O ATOM 0 H ASP A 90 -9.391 -0.118 10.025 1.00 1.11 H new ATOM 0 HA ASP A 90 -12.154 0.721 10.223 1.00 1.17 H new ATOM 0 HB2 ASP A 90 -10.416 0.702 12.108 1.00 1.18 H new ATOM 0 HB3 ASP A 90 -9.709 2.112 11.344 1.00 1.18 H new ATOM 1398 N VAL A 91 -9.975 2.270 8.352 1.00 0.83 N ATOM 1399 CA VAL A 91 -9.797 3.303 7.335 1.00 0.79 C ATOM 1400 C VAL A 91 -9.935 2.718 5.931 1.00 0.73 C ATOM 1401 O VAL A 91 -10.120 3.448 4.954 1.00 0.76 O ATOM 1402 CB VAL A 91 -8.430 4.014 7.459 1.00 0.78 C ATOM 1403 CG1 VAL A 91 -8.491 5.115 8.506 1.00 0.87 C ATOM 1404 CG2 VAL A 91 -7.331 3.021 7.797 1.00 0.78 C ATOM 0 H VAL A 91 -9.191 1.623 8.436 1.00 0.83 H new ATOM 0 HA VAL A 91 -10.583 4.040 7.502 1.00 0.79 H new ATOM 0 HB VAL A 91 -8.197 4.466 6.495 1.00 0.78 H new ATOM 0 HG11 VAL A 91 -7.519 5.603 8.578 1.00 0.87 H new ATOM 0 HG12 VAL A 91 -9.245 5.848 8.219 1.00 0.87 H new ATOM 0 HG13 VAL A 91 -8.753 4.684 9.472 1.00 0.87 H new ATOM 0 HG21 VAL A 91 -6.379 3.546 7.879 1.00 0.78 H new ATOM 0 HG22 VAL A 91 -7.560 2.534 8.745 1.00 0.78 H new ATOM 0 HG23 VAL A 91 -7.265 2.270 7.010 1.00 0.78 H new ATOM 1414 N TYR A 92 -9.838 1.398 5.840 1.00 0.72 N ATOM 1415 CA TYR A 92 -9.961 0.710 4.566 1.00 0.71 C ATOM 1416 C TYR A 92 -11.365 0.149 4.403 1.00 0.80 C ATOM 1417 O TYR A 92 -11.875 -0.541 5.280 1.00 0.98 O ATOM 1418 CB TYR A 92 -8.927 -0.419 4.459 1.00 0.76 C ATOM 1419 CG TYR A 92 -9.149 -1.342 3.277 1.00 0.81 C ATOM 1420 CD1 TYR A 92 -8.828 -0.935 1.991 1.00 0.82 C ATOM 1421 CD2 TYR A 92 -9.689 -2.612 3.448 1.00 0.93 C ATOM 1422 CE1 TYR A 92 -9.034 -1.765 0.906 1.00 0.93 C ATOM 1423 CE2 TYR A 92 -9.901 -3.448 2.366 1.00 1.02 C ATOM 1424 CZ TYR A 92 -9.572 -3.019 1.097 1.00 1.02 C ATOM 1425 OH TYR A 92 -9.787 -3.843 0.015 1.00 1.14 O ATOM 0 H TYR A 92 -9.674 0.783 6.637 1.00 0.72 H new ATOM 0 HA TYR A 92 -9.773 1.429 3.769 1.00 0.71 H new ATOM 0 HB2 TYR A 92 -7.931 0.019 4.384 1.00 0.76 H new ATOM 0 HB3 TYR A 92 -8.949 -1.007 5.376 1.00 0.76 H new ATOM 0 HD1 TYR A 92 -8.410 0.048 1.835 1.00 0.82 H new ATOM 0 HD2 TYR A 92 -9.947 -2.951 4.440 1.00 0.93 H new ATOM 0 HE1 TYR A 92 -8.774 -1.432 -0.088 1.00 0.93 H new ATOM 0 HE2 TYR A 92 -10.322 -4.431 2.514 1.00 1.02 H new ATOM 0 HH TYR A 92 -10.170 -4.692 0.321 1.00 1.14 H new ATOM 1435 N LEU A 93 -11.986 0.456 3.280 1.00 0.74 N ATOM 1436 CA LEU A 93 -13.330 -0.030 2.997 1.00 0.84 C ATOM 1437 C LEU A 93 -13.309 -0.972 1.802 1.00 1.05 C ATOM 1438 O LEU A 93 -13.999 -1.996 1.788 1.00 1.14 O ATOM 1439 CB LEU A 93 -14.274 1.144 2.722 1.00 0.87 C ATOM 1440 CG LEU A 93 -13.702 2.228 1.811 1.00 0.85 C ATOM 1441 CD1 LEU A 93 -14.709 2.610 0.739 1.00 1.02 C ATOM 1442 CD2 LEU A 93 -13.316 3.446 2.631 1.00 1.42 C ATOM 0 H LEU A 93 -11.584 1.040 2.546 1.00 0.74 H new ATOM 0 HA LEU A 93 -13.692 -0.575 3.869 1.00 0.84 H new ATOM 0 HB2 LEU A 93 -15.189 0.758 2.273 1.00 0.87 H new ATOM 0 HB3 LEU A 93 -14.552 1.598 3.673 1.00 0.87 H new ATOM 0 HG LEU A 93 -12.811 1.837 1.320 1.00 0.85 H new ATOM 0 HD11 LEU A 93 -14.284 3.384 0.100 1.00 1.02 H new ATOM 0 HD12 LEU A 93 -14.950 1.734 0.137 1.00 1.02 H new ATOM 0 HD13 LEU A 93 -15.617 2.987 1.210 1.00 1.02 H new ATOM 0 HD21 LEU A 93 -12.909 4.214 1.973 1.00 1.42 H new ATOM 0 HD22 LEU A 93 -14.197 3.835 3.141 1.00 1.42 H new ATOM 0 HD23 LEU A 93 -12.564 3.165 3.369 1.00 1.42 H new ATOM 1454 N GLY A 94 -12.501 -0.624 0.809 1.00 1.78 N ATOM 1455 CA GLY A 94 -12.397 -1.438 -0.380 1.00 2.31 C ATOM 1456 C GLY A 94 -13.604 -1.279 -1.277 1.00 3.01 C ATOM 1457 O GLY A 94 -14.154 -0.183 -1.408 1.00 3.64 O ATOM 0 H GLY A 94 -11.915 0.211 0.809 1.00 1.78 H new ATOM 0 HA2 GLY A 94 -11.497 -1.164 -0.930 1.00 2.31 H new ATOM 0 HA3 GLY A 94 -12.291 -2.485 -0.096 1.00 2.31 H new ATOM 1461 N LEU A 95 -14.024 -2.370 -1.884 1.00 3.25 N ATOM 1462 CA LEU A 95 -15.174 -2.352 -2.771 1.00 3.98 C ATOM 1463 C LEU A 95 -16.440 -2.668 -1.987 1.00 3.60 C ATOM 1464 O LEU A 95 -16.467 -3.605 -1.186 1.00 3.99 O ATOM 1465 CB LEU A 95 -14.989 -3.355 -3.915 1.00 4.97 C ATOM 1466 CG LEU A 95 -13.968 -2.956 -4.985 1.00 5.52 C ATOM 1467 CD1 LEU A 95 -12.550 -3.251 -4.525 1.00 5.76 C ATOM 1468 CD2 LEU A 95 -14.263 -3.673 -6.291 1.00 6.50 C ATOM 0 H LEU A 95 -13.585 -3.285 -1.780 1.00 3.25 H new ATOM 0 HA LEU A 95 -15.266 -1.356 -3.203 1.00 3.98 H new ATOM 0 HB2 LEU A 95 -14.688 -4.313 -3.490 1.00 4.97 H new ATOM 0 HB3 LEU A 95 -15.954 -3.510 -4.398 1.00 4.97 H new ATOM 0 HG LEU A 95 -14.052 -1.882 -5.149 1.00 5.52 H new ATOM 0 HD11 LEU A 95 -11.846 -2.958 -5.304 1.00 5.76 H new ATOM 0 HD12 LEU A 95 -12.338 -2.690 -3.615 1.00 5.76 H new ATOM 0 HD13 LEU A 95 -12.447 -4.318 -4.325 1.00 5.76 H new ATOM 0 HD21 LEU A 95 -13.529 -3.379 -7.041 1.00 6.50 H new ATOM 0 HD22 LEU A 95 -14.210 -4.750 -6.134 1.00 6.50 H new ATOM 0 HD23 LEU A 95 -15.262 -3.405 -6.636 1.00 6.50 H new ATOM 1480 N GLU A 96 -17.481 -1.881 -2.206 1.00 3.30 N ATOM 1481 CA GLU A 96 -18.747 -2.079 -1.515 1.00 3.30 C ATOM 1482 C GLU A 96 -19.593 -3.113 -2.248 1.00 3.83 C ATOM 1483 O GLU A 96 -20.642 -3.541 -1.769 1.00 4.33 O ATOM 1484 CB GLU A 96 -19.482 -0.745 -1.394 1.00 3.38 C ATOM 1485 CG GLU A 96 -18.726 0.262 -0.539 1.00 3.76 C ATOM 1486 CD GLU A 96 -18.802 1.673 -1.079 1.00 4.68 C ATOM 1487 OE1 GLU A 96 -18.031 2.004 -2.008 1.00 5.06 O ATOM 1488 OE2 GLU A 96 -19.623 2.462 -0.568 1.00 5.15 O ATOM 0 H GLU A 96 -17.475 -1.097 -2.858 1.00 3.30 H new ATOM 0 HA GLU A 96 -18.556 -2.458 -0.511 1.00 3.30 H new ATOM 0 HB2 GLU A 96 -19.637 -0.328 -2.389 1.00 3.38 H new ATOM 0 HB3 GLU A 96 -20.468 -0.915 -0.962 1.00 3.38 H new ATOM 0 HG2 GLU A 96 -19.128 0.245 0.474 1.00 3.76 H new ATOM 0 HG3 GLU A 96 -17.681 -0.039 -0.472 1.00 3.76 H new ATOM 1495 N HIS A 97 -19.116 -3.508 -3.415 1.00 4.10 N ATOM 1496 CA HIS A 97 -19.783 -4.504 -4.234 1.00 4.81 C ATOM 1497 C HIS A 97 -18.731 -5.264 -5.032 1.00 4.91 C ATOM 1498 O HIS A 97 -17.731 -4.676 -5.443 1.00 5.78 O ATOM 1499 CB HIS A 97 -20.784 -3.828 -5.178 1.00 5.50 C ATOM 1500 CG HIS A 97 -21.834 -4.753 -5.716 1.00 5.36 C ATOM 1501 ND1 HIS A 97 -21.843 -5.217 -7.014 1.00 5.86 N ATOM 1502 CD2 HIS A 97 -22.920 -5.293 -5.121 1.00 5.14 C ATOM 1503 CE1 HIS A 97 -22.891 -6.001 -7.192 1.00 5.88 C ATOM 1504 NE2 HIS A 97 -23.562 -6.067 -6.058 1.00 5.53 N ATOM 0 H HIS A 97 -18.254 -3.146 -3.822 1.00 4.10 H new ATOM 0 HA HIS A 97 -20.332 -5.198 -3.598 1.00 4.81 H new ATOM 0 HB2 HIS A 97 -21.272 -3.010 -4.648 1.00 5.50 H new ATOM 0 HB3 HIS A 97 -20.240 -3.387 -6.013 1.00 5.50 H new ATOM 0 HD2 HIS A 97 -23.227 -5.144 -4.097 1.00 5.14 H new ATOM 0 HE1 HIS A 97 -23.154 -6.503 -8.111 1.00 5.88 H new ATOM 0 HE2 HIS A 97 -24.416 -6.603 -5.902 1.00 5.53 H new ATOM 1513 N HIS A 98 -18.928 -6.563 -5.230 1.00 4.24 N ATOM 1514 CA HIS A 98 -17.972 -7.357 -5.991 1.00 4.57 C ATOM 1515 C HIS A 98 -18.020 -6.948 -7.457 1.00 5.57 C ATOM 1516 O HIS A 98 -18.855 -7.421 -8.226 1.00 6.29 O ATOM 1517 CB HIS A 98 -18.254 -8.853 -5.836 1.00 4.01 C ATOM 1518 CG HIS A 98 -17.118 -9.723 -6.288 1.00 4.25 C ATOM 1519 ND1 HIS A 98 -17.144 -10.449 -7.456 1.00 4.75 N ATOM 1520 CD2 HIS A 98 -15.913 -9.974 -5.720 1.00 4.43 C ATOM 1521 CE1 HIS A 98 -16.008 -11.108 -7.589 1.00 5.20 C ATOM 1522 NE2 HIS A 98 -15.244 -10.837 -6.550 1.00 5.02 N ATOM 0 H HIS A 98 -19.732 -7.083 -4.878 1.00 4.24 H new ATOM 0 HA HIS A 98 -16.971 -7.169 -5.602 1.00 4.57 H new ATOM 0 HB2 HIS A 98 -18.472 -9.068 -4.790 1.00 4.01 H new ATOM 0 HB3 HIS A 98 -19.147 -9.108 -6.407 1.00 4.01 H new ATOM 0 HD2 HIS A 98 -15.548 -9.570 -4.788 1.00 4.43 H new ATOM 0 HE1 HIS A 98 -15.749 -11.759 -8.411 1.00 5.20 H new ATOM 0 HE2 HIS A 98 -14.308 -11.208 -6.389 1.00 5.02 H new ATOM 1531 N HIS A 99 -17.129 -6.047 -7.817 1.00 5.88 N ATOM 1532 CA HIS A 99 -17.051 -5.532 -9.171 1.00 7.00 C ATOM 1533 C HIS A 99 -16.132 -6.397 -10.019 1.00 7.19 C ATOM 1534 O HIS A 99 -14.977 -6.627 -9.656 1.00 6.84 O ATOM 1535 CB HIS A 99 -16.537 -4.089 -9.142 1.00 7.91 C ATOM 1536 CG HIS A 99 -16.893 -3.282 -10.353 1.00 8.85 C ATOM 1537 ND1 HIS A 99 -17.763 -2.215 -10.311 1.00 9.53 N ATOM 1538 CD2 HIS A 99 -16.479 -3.375 -11.638 1.00 9.38 C ATOM 1539 CE1 HIS A 99 -17.872 -1.691 -11.515 1.00 10.40 C ATOM 1540 NE2 HIS A 99 -17.102 -2.375 -12.340 1.00 10.32 N ATOM 0 H HIS A 99 -16.438 -5.650 -7.180 1.00 5.88 H new ATOM 0 HA HIS A 99 -18.047 -5.552 -9.614 1.00 7.00 H new ATOM 0 HB2 HIS A 99 -16.936 -3.591 -8.258 1.00 7.91 H new ATOM 0 HB3 HIS A 99 -15.452 -4.104 -9.036 1.00 7.91 H new ATOM 0 HD2 HIS A 99 -15.787 -4.102 -12.037 1.00 9.38 H new ATOM 0 HE1 HIS A 99 -18.488 -0.845 -11.782 1.00 10.40 H new ATOM 0 HE2 HIS A 99 -16.989 -2.190 -13.337 1.00 10.32 H new ATOM 1549 N HIS A 100 -16.650 -6.887 -11.133 1.00 7.91 N ATOM 1550 CA HIS A 100 -15.861 -7.707 -12.036 1.00 8.32 C ATOM 1551 C HIS A 100 -14.843 -6.827 -12.748 1.00 8.49 C ATOM 1552 O HIS A 100 -15.203 -5.801 -13.329 1.00 8.85 O ATOM 1553 CB HIS A 100 -16.763 -8.416 -13.053 1.00 8.84 C ATOM 1554 CG HIS A 100 -16.081 -9.520 -13.797 1.00 9.39 C ATOM 1555 ND1 HIS A 100 -16.057 -10.822 -13.353 1.00 9.84 N ATOM 1556 CD2 HIS A 100 -15.397 -9.511 -14.964 1.00 9.72 C ATOM 1557 CE1 HIS A 100 -15.386 -11.565 -14.211 1.00 10.37 C ATOM 1558 NE2 HIS A 100 -14.976 -10.795 -15.198 1.00 10.32 N ATOM 0 H HIS A 100 -17.612 -6.731 -11.433 1.00 7.91 H new ATOM 0 HA HIS A 100 -15.340 -8.473 -11.462 1.00 8.32 H new ATOM 0 HB2 HIS A 100 -17.631 -8.822 -12.534 1.00 8.84 H new ATOM 0 HB3 HIS A 100 -17.134 -7.683 -13.769 1.00 8.84 H new ATOM 0 HD2 HIS A 100 -15.216 -8.653 -15.594 1.00 9.72 H new ATOM 0 HE1 HIS A 100 -15.203 -12.626 -14.120 1.00 10.37 H new ATOM 0 HE2 HIS A 100 -14.434 -11.104 -16.005 1.00 10.32 H new ATOM 1567 N HIS A 101 -13.576 -7.222 -12.683 1.00 8.41 N ATOM 1568 CA HIS A 101 -12.497 -6.463 -13.308 1.00 8.73 C ATOM 1569 C HIS A 101 -12.763 -6.245 -14.794 1.00 9.24 C ATOM 1570 O HIS A 101 -13.386 -7.081 -15.451 1.00 9.03 O ATOM 1571 CB HIS A 101 -11.142 -7.166 -13.097 1.00 8.88 C ATOM 1572 CG HIS A 101 -10.923 -8.395 -13.943 1.00 9.00 C ATOM 1573 ND1 HIS A 101 -11.173 -9.676 -13.495 1.00 8.78 N ATOM 1574 CD2 HIS A 101 -10.458 -8.531 -15.209 1.00 9.44 C ATOM 1575 CE1 HIS A 101 -10.871 -10.542 -14.444 1.00 9.10 C ATOM 1576 NE2 HIS A 101 -10.437 -9.875 -15.494 1.00 9.49 N ATOM 0 H HIS A 101 -13.269 -8.067 -12.202 1.00 8.41 H new ATOM 0 HA HIS A 101 -12.457 -5.485 -12.828 1.00 8.73 H new ATOM 0 HB2 HIS A 101 -10.344 -6.453 -13.305 1.00 8.88 H new ATOM 0 HB3 HIS A 101 -11.054 -7.446 -12.047 1.00 8.88 H new ATOM 0 HD2 HIS A 101 -10.159 -7.731 -15.871 1.00 9.44 H new ATOM 0 HE1 HIS A 101 -10.964 -11.616 -14.372 1.00 9.10 H new ATOM 0 HE2 HIS A 101 -10.134 -10.289 -16.376 1.00 9.49 H new ATOM 1585 N HIS A 102 -12.294 -5.119 -15.308 1.00 10.03 N ATOM 1586 CA HIS A 102 -12.471 -4.786 -16.714 1.00 10.75 C ATOM 1587 C HIS A 102 -11.753 -5.800 -17.589 1.00 11.48 C ATOM 1588 O HIS A 102 -12.429 -6.514 -18.356 1.00 11.72 O ATOM 1589 CB HIS A 102 -11.945 -3.379 -17.009 1.00 11.25 C ATOM 1590 CG HIS A 102 -12.832 -2.287 -16.504 1.00 11.59 C ATOM 1591 ND1 HIS A 102 -13.932 -1.832 -17.197 1.00 12.36 N ATOM 1592 CD2 HIS A 102 -12.777 -1.555 -15.366 1.00 11.44 C ATOM 1593 CE1 HIS A 102 -14.516 -0.869 -16.509 1.00 12.66 C ATOM 1594 NE2 HIS A 102 -13.835 -0.684 -15.394 1.00 12.14 N ATOM 1595 OXT HIS A 102 -10.514 -5.893 -17.487 1.00 11.93 O ATOM 0 H HIS A 102 -11.786 -4.417 -14.770 1.00 10.03 H new ATOM 0 HA HIS A 102 -13.537 -4.812 -16.938 1.00 10.75 H new ATOM 0 HB2 HIS A 102 -10.957 -3.269 -16.561 1.00 11.25 H new ATOM 0 HB3 HIS A 102 -11.821 -3.266 -18.086 1.00 11.25 H new ATOM 0 HD2 HIS A 102 -12.038 -1.641 -14.583 1.00 11.44 H new ATOM 0 HE1 HIS A 102 -15.400 -0.325 -16.808 1.00 12.66 H new ATOM 0 HE2 HIS A 102 -14.060 -0.002 -14.669 1.00 12.14 H new TER 1604 HIS A 102 HETATM 1605 N1A ACO A 103 -1.258 -13.069 -0.051 1.00 1.26 N HETATM 1606 C2A ACO A 103 -0.865 -11.777 0.281 1.00 1.17 C HETATM 1607 N3A ACO A 103 -0.167 -11.572 1.469 1.00 1.07 N HETATM 1608 C4A ACO A 103 0.107 -12.622 2.266 1.00 1.07 C HETATM 1609 C5A ACO A 103 -0.277 -13.860 1.921 1.00 1.24 C HETATM 1610 C6A ACO A 103 -0.954 -14.073 0.783 1.00 1.33 C HETATM 1611 N6A ACO A 103 -1.313 -15.327 0.519 1.00 1.58 N HETATM 1612 N7A ACO A 103 0.122 -14.689 2.883 1.00 1.38 N HETATM 1613 C8A ACO A 103 0.751 -13.975 3.812 1.00 1.26 C HETATM 1614 N9A ACO A 103 0.737 -12.702 3.429 1.00 1.07 N HETATM 1615 C1B ACO A 103 1.313 -11.553 4.169 1.00 1.03 C HETATM 1616 C2B ACO A 103 1.846 -11.919 5.535 1.00 1.11 C HETATM 1617 O2B ACO A 103 0.800 -11.844 6.519 1.00 1.48 O HETATM 1618 C3B ACO A 103 2.894 -10.853 5.792 1.00 1.01 C HETATM 1619 O3B ACO A 103 2.410 -9.901 6.758 1.00 1.23 O HETATM 1620 P3B ACO A 103 2.442 -10.263 8.328 1.00 1.16 P HETATM 1621 O7A ACO A 103 0.918 -10.171 8.834 1.00 1.71 O HETATM 1622 O8A ACO A 103 3.244 -9.096 9.078 1.00 1.81 O HETATM 1623 O9A ACO A 103 3.029 -11.594 8.585 1.00 2.04 O HETATM 1624 C4B ACO A 103 3.090 -10.176 4.435 1.00 1.04 C HETATM 1625 O4B ACO A 103 2.464 -11.048 3.477 1.00 1.04 O HETATM 1626 C5B ACO A 103 4.573 -10.006 4.120 1.00 1.18 C HETATM 1627 O5B ACO A 103 4.872 -10.597 2.852 1.00 1.28 O HETATM 1628 P1A ACO A 103 6.210 -11.475 2.667 1.00 1.52 P HETATM 1629 O1A ACO A 103 7.346 -10.795 3.322 1.00 2.30 O HETATM 1630 O2A ACO A 103 5.942 -12.881 3.067 1.00 2.20 O HETATM 1631 O3A ACO A 103 6.445 -11.467 1.078 1.00 1.44 O HETATM 1632 P2A ACO A 103 6.751 -10.085 0.312 1.00 1.59 P HETATM 1633 O4A ACO A 103 8.215 -9.846 0.272 1.00 2.35 O HETATM 1634 O5A ACO A 103 5.906 -9.003 0.864 1.00 2.24 O HETATM 1635 O6A ACO A 103 6.278 -10.383 -1.195 1.00 1.29 O HETATM 1636 CBP ACO A 103 4.469 -9.641 -2.640 1.00 0.94 C HETATM 1637 CCP ACO A 103 4.888 -10.559 -1.487 1.00 1.05 C HETATM 1638 CDP ACO A 103 3.066 -10.041 -3.115 1.00 1.01 C HETATM 1639 CEP ACO A 103 4.455 -8.183 -2.156 1.00 0.88 C HETATM 1640 CAP ACO A 103 5.467 -9.780 -3.801 1.00 0.97 C HETATM 1641 OAP ACO A 103 5.396 -11.101 -4.348 1.00 1.11 O HETATM 1642 C9P ACO A 103 5.138 -8.754 -4.891 1.00 0.94 C HETATM 1643 O9P ACO A 103 5.955 -7.888 -5.212 1.00 0.99 O HETATM 1644 N8P ACO A 103 3.922 -8.875 -5.443 1.00 1.53 N HETATM 1645 C7P ACO A 103 2.977 -7.751 -5.493 1.00 1.93 C HETATM 1646 C6P ACO A 103 1.609 -8.235 -5.972 1.00 2.42 C HETATM 1647 C5P ACO A 103 0.589 -7.102 -5.850 1.00 2.41 C HETATM 1648 O5P ACO A 103 -0.382 -7.198 -5.096 1.00 3.30 O HETATM 1649 N4P ACO A 103 0.837 -6.029 -6.610 1.00 1.79 N HETATM 1650 C3P ACO A 103 0.086 -5.764 -7.847 1.00 2.18 C HETATM 1651 C2P ACO A 103 1.053 -5.514 -9.003 1.00 2.07 C HETATM 1652 S1P ACO A 103 2.487 -6.644 -8.939 1.00 2.13 S HETATM 1653 C ACO A 103 3.693 -5.569 -8.197 1.00 1.95 C HETATM 1654 O ACO A 103 3.275 -4.362 -7.553 1.00 1.49 O HETATM 1655 CH3 ACO A 103 5.176 -5.931 -8.258 1.00 3.07 C HETATM 0 HO2A ACO A 103 1.030 -12.410 7.285 1.00 1.48 H new HETATM 0 HH33 ACO A 103 5.337 -6.889 -7.764 1.00 3.07 H new HETATM 0 HH32 ACO A 103 5.491 -6.002 -9.299 1.00 3.07 H new HETATM 0 HH31 ACO A 103 5.760 -5.160 -7.754 1.00 3.07 H new HETATM 0 H62A ACO A 103 -1.070 -16.075 1.169 1.00 1.58 H new HETATM 0 H61A ACO A 103 -1.831 -15.541 -0.333 1.00 1.58 H new HETATM 0 H52A ACO A 103 4.832 -8.947 4.108 1.00 1.18 H new HETATM 0 H51A ACO A 103 5.175 -10.473 4.900 1.00 1.18 H new HETATM 0 H143 ACO A 103 3.747 -8.079 -1.334 1.00 0.88 H new HETATM 0 H142 ACO A 103 5.451 -7.904 -1.814 1.00 0.88 H new HETATM 0 H141 ACO A 103 4.157 -7.530 -2.976 1.00 0.88 H new HETATM 0 H133 ACO A 103 3.079 -11.076 -3.457 1.00 1.01 H new HETATM 0 H132 ACO A 103 2.360 -9.940 -2.291 1.00 1.01 H new HETATM 0 H131 ACO A 103 2.761 -9.392 -3.936 1.00 1.01 H new HETATM 0 H122 ACO A 103 4.693 -11.598 -1.751 1.00 1.05 H new HETATM 0 H121 ACO A 103 4.292 -10.338 -0.602 1.00 1.05 H new HETATM 0 HO1 ACO A 103 6.033 -11.183 -5.088 1.00 1.11 H new HETATM 0 HN8 ACO A 103 3.645 -9.773 -5.840 1.00 1.53 H new HETATM 0 HN4 ACO A 103 1.567 -5.377 -6.324 1.00 1.79 H new HETATM 0 H8A ACO A 103 1.199 -14.365 4.726 1.00 1.26 H new HETATM 0 H72 ACO A 103 2.886 -7.298 -4.506 1.00 1.93 H new HETATM 0 H71 ACO A 103 3.354 -6.979 -6.164 1.00 1.93 H new HETATM 0 H62 ACO A 103 1.673 -8.570 -7.007 1.00 2.42 H new HETATM 0 H61 ACO A 103 1.288 -9.092 -5.380 1.00 2.42 H new HETATM 0 H4B ACO A 103 2.654 -9.177 4.419 1.00 1.04 H new HETATM 0 H3B ACO A 103 3.821 -11.266 6.190 1.00 1.01 H new HETATM 0 H32 ACO A 103 -0.559 -6.611 -8.079 1.00 2.18 H new HETATM 0 H31 ACO A 103 -0.562 -4.898 -7.710 1.00 2.18 H new HETATM 0 H2B ACO A 103 2.242 -12.933 5.586 1.00 1.11 H new HETATM 0 H2A ACO A 103 -1.099 -10.940 -0.377 1.00 1.17 H new HETATM 0 H22 ACO A 103 0.529 -5.643 -9.950 1.00 2.07 H new HETATM 0 H21 ACO A 103 1.401 -4.482 -8.970 1.00 2.07 H new HETATM 0 H1B ACO A 103 0.492 -10.841 4.252 1.00 1.03 H new HETATM 0 H10 ACO A 103 6.475 -9.600 -3.428 1.00 0.97 H new