USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 874 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 ASN : amide:sc= 0.883 K(o=0.88,f=-8.9!) USER MOD Set 2.1: A 28 GLN : amide:sc= 0.804 K(o=1.4,f=-0.14) USER MOD Set 2.2: A 37 ASN : amide:sc= 0.581 K(o=1.4,f=-0.9) USER MOD Set 3.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 39 THR OG1 : rot -154:sc= 1.17 USER MOD Single : A 1 GLU N :NH3+ -170:sc= 0.0647 (180deg=0.00561) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.005 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 1.03 K(o=1,f=-0.0096) USER MOD Single : A 19 ASN : amide:sc= -0.509 K(o=-0.51,f=-3.6!) USER MOD Single : A 24 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0023) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0.865 K(o=0.87,f=-0.29) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.15) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.147 K(o=-0.15,f=-3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -66:sc= 0.162 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0437) USER MOD Single : A 73 LYS NZ :NH3+ -147:sc= 0.298 (180deg=0.0724) USER MOD Single : A 74 HIS : no HE2:sc= 0.29 K(o=0.29,f=-5.4!) USER MOD Single : A 77 ASN : amide:sc= 1.51 K(o=1.5,f=-0.42) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.896) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00152) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc=5.63e-05 USER MOD Single : A 96 TYR OH : rot -8:sc= 0.0167 USER MOD Single : A 97 SER OG : rot -110:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.184 USER MOD Single : A 105 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.14) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -18.626 -3.838 6.008 1.00 0.00 N ATOM 2 CA GLU A 1 -18.015 -4.273 7.298 1.00 0.00 C ATOM 3 C GLU A 1 -18.047 -5.807 7.508 1.00 0.00 C ATOM 4 O GLU A 1 -18.341 -6.293 8.600 1.00 0.00 O ATOM 5 CB GLU A 1 -18.622 -3.485 8.485 1.00 0.00 C ATOM 6 CG GLU A 1 -20.145 -3.630 8.661 1.00 0.00 C ATOM 7 CD GLU A 1 -20.634 -2.864 9.903 1.00 0.00 C ATOM 8 OE1 GLU A 1 -20.911 -1.645 9.793 1.00 0.00 O ATOM 9 OE2 GLU A 1 -20.757 -3.475 10.992 1.00 0.00 O ATOM 0 H1 GLU A 1 -18.424 -2.830 5.850 1.00 0.00 H new ATOM 0 H2 GLU A 1 -18.226 -4.398 5.228 1.00 0.00 H new ATOM 0 H3 GLU A 1 -19.655 -3.983 6.045 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.954 -4.028 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -18.134 -3.811 9.404 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -18.387 -2.428 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -20.654 -3.254 7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -20.405 -4.684 8.754 1.00 0.00 H new ATOM 18 N GLU A 2 -17.719 -6.609 6.483 1.00 0.00 N ATOM 19 CA GLU A 2 -17.704 -8.084 6.585 1.00 0.00 C ATOM 20 C GLU A 2 -16.469 -8.590 7.351 1.00 0.00 C ATOM 21 O GLU A 2 -15.335 -8.291 6.967 1.00 0.00 O ATOM 22 CB GLU A 2 -17.723 -8.709 5.177 1.00 0.00 C ATOM 23 CG GLU A 2 -19.008 -8.432 4.383 1.00 0.00 C ATOM 24 CD GLU A 2 -20.250 -9.067 5.040 1.00 0.00 C ATOM 25 OE1 GLU A 2 -20.460 -10.296 4.892 1.00 0.00 O ATOM 26 OE2 GLU A 2 -21.026 -8.342 5.709 1.00 0.00 O ATOM 0 H GLU A 2 -17.457 -6.259 5.562 1.00 0.00 H new ATOM 0 HA GLU A 2 -18.594 -8.384 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -16.871 -8.330 4.612 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.591 -9.787 5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -19.155 -7.355 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -18.897 -8.819 3.370 1.00 0.00 H new ATOM 33 N LYS A 3 -16.672 -9.370 8.422 1.00 0.00 N ATOM 34 CA LYS A 3 -15.593 -9.905 9.276 1.00 0.00 C ATOM 35 C LYS A 3 -15.091 -11.271 8.790 1.00 0.00 C ATOM 36 O LYS A 3 -15.883 -12.184 8.548 1.00 0.00 O ATOM 37 CB LYS A 3 -16.087 -10.020 10.730 1.00 0.00 C ATOM 38 CG LYS A 3 -16.357 -8.651 11.373 1.00 0.00 C ATOM 39 CD LYS A 3 -16.841 -8.809 12.821 1.00 0.00 C ATOM 40 CE LYS A 3 -17.068 -7.428 13.447 1.00 0.00 C ATOM 41 NZ LYS A 3 -17.517 -7.533 14.861 1.00 0.00 N ATOM 0 H LYS A 3 -17.603 -9.653 8.727 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.756 -9.209 9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.000 -10.615 10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.343 -10.554 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.448 -8.050 11.353 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.107 -8.114 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.766 -9.385 12.844 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.105 -9.365 13.402 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.145 -6.851 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.814 -6.884 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.660 -6.580 15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.411 -8.062 14.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.794 -8.030 15.419 1.00 0.00 H new ATOM 55 N TYR A 4 -13.768 -11.409 8.689 1.00 0.00 N ATOM 56 CA TYR A 4 -13.032 -12.631 8.335 1.00 0.00 C ATOM 57 C TYR A 4 -11.550 -12.518 8.762 1.00 0.00 C ATOM 58 O TYR A 4 -11.136 -11.506 9.335 1.00 0.00 O ATOM 59 CB TYR A 4 -13.189 -12.920 6.826 1.00 0.00 C ATOM 60 CG TYR A 4 -12.887 -11.762 5.890 1.00 0.00 C ATOM 61 CD1 TYR A 4 -13.922 -10.885 5.512 1.00 0.00 C ATOM 62 CD2 TYR A 4 -11.585 -11.567 5.386 1.00 0.00 C ATOM 63 CE1 TYR A 4 -13.655 -9.801 4.659 1.00 0.00 C ATOM 64 CE2 TYR A 4 -11.316 -10.490 4.518 1.00 0.00 C ATOM 65 CZ TYR A 4 -12.351 -9.599 4.157 1.00 0.00 C ATOM 66 OH TYR A 4 -12.104 -8.536 3.344 1.00 0.00 O ATOM 0 H TYR A 4 -13.140 -10.624 8.862 1.00 0.00 H new ATOM 0 HA TYR A 4 -13.452 -13.478 8.878 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.534 -13.752 6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -14.212 -13.251 6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -14.925 -11.046 5.879 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.792 -12.245 5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -14.449 -9.121 4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -10.319 -10.346 4.129 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.159 -8.536 3.084 1.00 0.00 H new ATOM 76 N THR A 5 -10.751 -13.558 8.505 1.00 0.00 N ATOM 77 CA THR A 5 -9.332 -13.670 8.904 1.00 0.00 C ATOM 78 C THR A 5 -8.368 -13.483 7.715 1.00 0.00 C ATOM 79 O THR A 5 -8.769 -13.570 6.552 1.00 0.00 O ATOM 80 CB THR A 5 -9.102 -14.990 9.664 1.00 0.00 C ATOM 81 OG1 THR A 5 -7.768 -15.078 10.116 1.00 0.00 O ATOM 82 CG2 THR A 5 -9.418 -16.236 8.832 1.00 0.00 C ATOM 0 H THR A 5 -11.080 -14.378 7.995 1.00 0.00 H new ATOM 0 HA THR A 5 -9.102 -12.850 9.584 1.00 0.00 H new ATOM 0 HB THR A 5 -9.794 -14.967 10.505 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.641 -15.922 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.234 -17.129 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.464 -16.214 8.526 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.782 -16.254 7.947 1.00 0.00 H new ATOM 90 N THR A 6 -7.090 -13.208 7.998 1.00 0.00 N ATOM 91 CA THR A 6 -6.114 -12.620 7.058 1.00 0.00 C ATOM 92 C THR A 6 -4.923 -13.556 6.835 1.00 0.00 C ATOM 93 O THR A 6 -3.851 -13.376 7.414 1.00 0.00 O ATOM 94 CB THR A 6 -5.664 -11.224 7.540 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.795 -10.401 7.743 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.754 -10.491 6.546 1.00 0.00 C ATOM 0 H THR A 6 -6.688 -13.393 8.917 1.00 0.00 H new ATOM 0 HA THR A 6 -6.605 -12.494 6.093 1.00 0.00 H new ATOM 0 HB THR A 6 -5.103 -11.399 8.458 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.505 -9.517 8.050 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.479 -9.518 6.954 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.853 -11.080 6.375 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.282 -10.353 5.603 1.00 0.00 H new ATOM 104 N LYS A 7 -5.128 -14.585 6.006 1.00 0.00 N ATOM 105 CA LYS A 7 -4.137 -15.609 5.624 1.00 0.00 C ATOM 106 C LYS A 7 -4.396 -16.124 4.206 1.00 0.00 C ATOM 107 O LYS A 7 -5.511 -16.515 3.866 1.00 0.00 O ATOM 108 CB LYS A 7 -4.104 -16.762 6.659 1.00 0.00 C ATOM 109 CG LYS A 7 -5.404 -17.126 7.412 1.00 0.00 C ATOM 110 CD LYS A 7 -6.610 -17.548 6.557 1.00 0.00 C ATOM 111 CE LYS A 7 -6.378 -18.792 5.683 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.257 -20.040 6.485 1.00 0.00 N ATOM 0 H LYS A 7 -6.032 -14.738 5.559 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.151 -15.144 5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.760 -17.658 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.349 -16.514 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.179 -17.937 8.104 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.699 -16.266 8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.457 -17.738 7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.889 -16.715 5.912 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.203 -18.896 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.471 -18.654 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.102 -20.848 5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.453 -19.955 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.131 -20.190 7.028 1.00 0.00 H new ATOM 126 N TYR A 8 -3.352 -16.130 3.384 1.00 0.00 N ATOM 127 CA TYR A 8 -3.393 -16.563 1.984 1.00 0.00 C ATOM 128 C TYR A 8 -2.091 -17.301 1.658 1.00 0.00 C ATOM 129 O TYR A 8 -1.024 -16.696 1.684 1.00 0.00 O ATOM 130 CB TYR A 8 -3.596 -15.339 1.069 1.00 0.00 C ATOM 131 CG TYR A 8 -5.000 -14.755 1.099 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.383 -13.860 2.121 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.933 -15.125 0.109 1.00 0.00 C ATOM 134 CE1 TYR A 8 -6.698 -13.354 2.163 1.00 0.00 C ATOM 135 CE2 TYR A 8 -7.244 -14.611 0.140 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.632 -13.725 1.171 1.00 0.00 C ATOM 137 OH TYR A 8 -8.903 -13.239 1.222 1.00 0.00 O ATOM 0 H TYR A 8 -2.424 -15.825 3.678 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.228 -17.243 1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.887 -14.563 1.359 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.356 -15.623 0.044 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.667 -13.562 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -5.641 -15.806 -0.677 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.992 -12.681 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.953 -14.894 -0.624 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.418 -13.590 0.466 1.00 0.00 H new ATOM 147 N ASP A 9 -2.172 -18.612 1.405 1.00 0.00 N ATOM 148 CA ASP A 9 -1.030 -19.518 1.165 1.00 0.00 C ATOM 149 C ASP A 9 0.141 -19.353 2.169 1.00 0.00 C ATOM 150 O ASP A 9 1.311 -19.259 1.791 1.00 0.00 O ATOM 151 CB ASP A 9 -0.617 -19.431 -0.318 1.00 0.00 C ATOM 152 CG ASP A 9 0.347 -20.553 -0.746 1.00 0.00 C ATOM 153 OD1 ASP A 9 0.134 -21.728 -0.357 1.00 0.00 O ATOM 154 OD2 ASP A 9 1.291 -20.279 -1.528 1.00 0.00 O ATOM 0 H ASP A 9 -3.069 -19.096 1.359 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.358 -20.538 1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.511 -19.472 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.145 -18.466 -0.501 1.00 0.00 H new ATOM 159 N ASN A 10 -0.191 -19.292 3.468 1.00 0.00 N ATOM 160 CA ASN A 10 0.737 -19.056 4.589 1.00 0.00 C ATOM 161 C ASN A 10 1.529 -17.737 4.497 1.00 0.00 C ATOM 162 O ASN A 10 2.736 -17.684 4.751 1.00 0.00 O ATOM 163 CB ASN A 10 1.590 -20.314 4.867 1.00 0.00 C ATOM 164 CG ASN A 10 0.754 -21.533 5.216 1.00 0.00 C ATOM 165 OD1 ASN A 10 0.419 -22.358 4.376 1.00 0.00 O ATOM 166 ND2 ASN A 10 0.379 -21.690 6.467 1.00 0.00 N ATOM 0 H ASN A 10 -1.155 -19.411 3.781 1.00 0.00 H new ATOM 0 HA ASN A 10 0.130 -18.891 5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.197 -20.536 3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.278 -20.106 5.686 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -0.188 -22.496 6.732 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.655 -21.006 7.172 1.00 0.00 H new ATOM 173 N VAL A 11 0.807 -16.655 4.193 1.00 0.00 N ATOM 174 CA VAL A 11 1.290 -15.266 4.229 1.00 0.00 C ATOM 175 C VAL A 11 0.249 -14.371 4.894 1.00 0.00 C ATOM 176 O VAL A 11 -0.955 -14.614 4.779 1.00 0.00 O ATOM 177 CB VAL A 11 1.605 -14.717 2.818 1.00 0.00 C ATOM 178 CG1 VAL A 11 2.616 -13.574 2.927 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.203 -15.758 1.871 1.00 0.00 C ATOM 0 H VAL A 11 -0.169 -16.722 3.903 1.00 0.00 H new ATOM 0 HA VAL A 11 2.216 -15.263 4.804 1.00 0.00 H new ATOM 0 HB VAL A 11 0.649 -14.392 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.837 -13.188 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.198 -12.776 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.534 -13.942 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.397 -15.299 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.137 -16.135 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.502 -16.583 1.748 1.00 0.00 H new ATOM 189 N ASN A 12 0.719 -13.326 5.575 1.00 0.00 N ATOM 190 CA ASN A 12 -0.090 -12.382 6.340 1.00 0.00 C ATOM 191 C ASN A 12 0.421 -10.948 6.180 1.00 0.00 C ATOM 192 O ASN A 12 1.578 -10.724 5.824 1.00 0.00 O ATOM 193 CB ASN A 12 0.010 -12.707 7.832 1.00 0.00 C ATOM 194 CG ASN A 12 -0.264 -14.152 8.213 1.00 0.00 C ATOM 195 OD1 ASN A 12 0.641 -14.955 8.398 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.505 -14.547 8.348 1.00 0.00 N ATOM 0 H ASN A 12 1.715 -13.107 5.609 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.111 -12.465 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.010 -12.444 8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.691 -12.070 8.371 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.708 -15.513 8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.269 -13.888 8.197 1.00 0.00 H new ATOM 203 N LEU A 13 -0.411 -9.978 6.566 1.00 0.00 N ATOM 204 CA LEU A 13 -0.077 -8.553 6.536 1.00 0.00 C ATOM 205 C LEU A 13 1.204 -8.178 7.282 1.00 0.00 C ATOM 206 O LEU A 13 1.997 -7.398 6.767 1.00 0.00 O ATOM 207 CB LEU A 13 -1.258 -7.745 7.099 1.00 0.00 C ATOM 208 CG LEU A 13 -1.978 -6.973 5.995 1.00 0.00 C ATOM 209 CD1 LEU A 13 -3.210 -6.297 6.604 1.00 0.00 C ATOM 210 CD2 LEU A 13 -1.098 -5.867 5.415 1.00 0.00 C ATOM 0 H LEU A 13 -1.352 -10.164 6.914 1.00 0.00 H new ATOM 0 HA LEU A 13 0.112 -8.311 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.960 -8.418 7.592 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.897 -7.049 7.857 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.237 -7.677 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.739 -5.740 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.872 -7.056 7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.897 -5.614 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.644 -5.340 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.828 -5.166 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.193 -6.305 4.994 1.00 0.00 H new ATOM 222 N ASP A 14 1.444 -8.738 8.465 1.00 0.00 N ATOM 223 CA ASP A 14 2.666 -8.438 9.216 1.00 0.00 C ATOM 224 C ASP A 14 3.942 -8.862 8.478 1.00 0.00 C ATOM 225 O ASP A 14 4.955 -8.173 8.559 1.00 0.00 O ATOM 226 CB ASP A 14 2.593 -9.052 10.607 1.00 0.00 C ATOM 227 CG ASP A 14 2.609 -10.589 10.626 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.531 -11.197 10.434 1.00 0.00 O ATOM 229 OD2 ASP A 14 3.687 -11.183 10.862 1.00 0.00 O ATOM 0 H ASP A 14 0.815 -9.397 8.924 1.00 0.00 H new ATOM 0 HA ASP A 14 2.727 -7.354 9.314 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.433 -8.685 11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.683 -8.704 11.097 1.00 0.00 H new ATOM 234 N GLU A 15 3.872 -9.938 7.691 1.00 0.00 N ATOM 235 CA GLU A 15 4.949 -10.341 6.785 1.00 0.00 C ATOM 236 C GLU A 15 5.079 -9.377 5.591 1.00 0.00 C ATOM 237 O GLU A 15 6.187 -9.138 5.121 1.00 0.00 O ATOM 238 CB GLU A 15 4.708 -11.782 6.297 1.00 0.00 C ATOM 239 CG GLU A 15 5.986 -12.491 5.828 1.00 0.00 C ATOM 240 CD GLU A 15 6.862 -12.947 7.013 1.00 0.00 C ATOM 241 OE1 GLU A 15 7.698 -12.151 7.505 1.00 0.00 O ATOM 242 OE2 GLU A 15 6.725 -14.113 7.458 1.00 0.00 O ATOM 0 H GLU A 15 3.062 -10.557 7.665 1.00 0.00 H new ATOM 0 HA GLU A 15 5.889 -10.301 7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.257 -12.360 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.990 -11.764 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.719 -13.356 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.560 -11.819 5.190 1.00 0.00 H new ATOM 249 N ILE A 16 3.975 -8.778 5.122 1.00 0.00 N ATOM 250 CA ILE A 16 3.976 -7.889 3.931 1.00 0.00 C ATOM 251 C ILE A 16 4.894 -6.682 4.140 1.00 0.00 C ATOM 252 O ILE A 16 5.868 -6.504 3.408 1.00 0.00 O ATOM 253 CB ILE A 16 2.522 -7.551 3.476 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.843 -8.821 2.918 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.403 -6.431 2.438 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.547 -9.435 1.688 1.00 0.00 C ATOM 0 H ILE A 16 3.055 -8.890 5.549 1.00 0.00 H new ATOM 0 HA ILE A 16 4.411 -8.421 3.085 1.00 0.00 H new ATOM 0 HB ILE A 16 2.025 -7.182 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.799 -9.571 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.814 -8.580 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.353 -6.275 2.190 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.820 -5.511 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.951 -6.709 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.003 -10.322 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.568 -8.705 0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.567 -9.712 1.953 1.00 0.00 H new ATOM 268 N LEU A 17 4.672 -5.916 5.202 1.00 0.00 N ATOM 269 CA LEU A 17 5.504 -4.759 5.569 1.00 0.00 C ATOM 270 C LEU A 17 6.913 -5.178 6.034 1.00 0.00 C ATOM 271 O LEU A 17 7.875 -4.442 5.813 1.00 0.00 O ATOM 272 CB LEU A 17 4.839 -3.904 6.674 1.00 0.00 C ATOM 273 CG LEU A 17 3.660 -4.550 7.429 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.358 -3.801 8.715 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.388 -4.428 6.601 1.00 0.00 C ATOM 0 H LEU A 17 3.899 -6.078 5.847 1.00 0.00 H new ATOM 0 HA LEU A 17 5.600 -4.161 4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.603 -3.634 7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.487 -2.976 6.222 1.00 0.00 H new ATOM 0 HG LEU A 17 3.941 -5.585 7.624 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.522 -4.279 9.227 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.236 -3.818 9.361 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.098 -2.768 8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.558 -4.886 7.139 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.169 -3.375 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.525 -4.935 5.646 1.00 0.00 H new ATOM 287 N ALA A 18 7.038 -6.336 6.694 1.00 0.00 N ATOM 288 CA ALA A 18 8.303 -6.808 7.261 1.00 0.00 C ATOM 289 C ALA A 18 9.273 -7.376 6.206 1.00 0.00 C ATOM 290 O ALA A 18 10.484 -7.426 6.444 1.00 0.00 O ATOM 291 CB ALA A 18 8.005 -7.870 8.321 1.00 0.00 C ATOM 0 H ALA A 18 6.258 -6.974 6.850 1.00 0.00 H new ATOM 0 HA ALA A 18 8.803 -5.946 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.941 -8.229 8.750 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.388 -7.436 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.474 -8.703 7.862 1.00 0.00 H new ATOM 297 N ASN A 19 8.758 -7.791 5.043 1.00 0.00 N ATOM 298 CA ASN A 19 9.507 -8.449 3.974 1.00 0.00 C ATOM 299 C ASN A 19 9.307 -7.678 2.655 1.00 0.00 C ATOM 300 O ASN A 19 8.421 -7.978 1.854 1.00 0.00 O ATOM 301 CB ASN A 19 9.091 -9.943 3.881 1.00 0.00 C ATOM 302 CG ASN A 19 10.202 -10.974 3.903 1.00 0.00 C ATOM 303 OD1 ASN A 19 10.004 -12.142 4.208 1.00 0.00 O ATOM 304 ND2 ASN A 19 11.389 -10.634 3.473 1.00 0.00 N ATOM 0 H ASN A 19 7.771 -7.672 4.815 1.00 0.00 H new ATOM 0 HA ASN A 19 10.575 -8.436 4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.415 -10.157 4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.522 -10.079 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.125 -11.336 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.579 -9.666 3.212 1.00 0.00 H new ATOM 311 N ASP A 20 10.144 -6.669 2.410 1.00 0.00 N ATOM 312 CA ASP A 20 10.045 -5.802 1.226 1.00 0.00 C ATOM 313 C ASP A 20 10.051 -6.552 -0.119 1.00 0.00 C ATOM 314 O ASP A 20 9.452 -6.070 -1.080 1.00 0.00 O ATOM 315 CB ASP A 20 11.158 -4.746 1.248 1.00 0.00 C ATOM 316 CG ASP A 20 12.557 -5.325 0.966 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.089 -6.069 1.823 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.119 -5.039 -0.116 1.00 0.00 O ATOM 0 H ASP A 20 10.917 -6.425 3.030 1.00 0.00 H new ATOM 0 HA ASP A 20 9.067 -5.325 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.935 -3.978 0.507 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.165 -4.257 2.222 1.00 0.00 H new ATOM 323 N ARG A 21 10.663 -7.742 -0.194 1.00 0.00 N ATOM 324 CA ARG A 21 10.586 -8.642 -1.366 1.00 0.00 C ATOM 325 C ARG A 21 9.151 -8.984 -1.782 1.00 0.00 C ATOM 326 O ARG A 21 8.842 -9.023 -2.972 1.00 0.00 O ATOM 327 CB ARG A 21 11.410 -9.925 -1.135 1.00 0.00 C ATOM 328 CG ARG A 21 10.868 -10.870 -0.048 1.00 0.00 C ATOM 329 CD ARG A 21 11.796 -12.066 0.198 1.00 0.00 C ATOM 330 NE ARG A 21 11.314 -12.866 1.341 1.00 0.00 N ATOM 331 CZ ARG A 21 11.826 -13.981 1.824 1.00 0.00 C ATOM 332 NH1 ARG A 21 12.791 -14.622 1.228 1.00 0.00 N ATOM 333 NH2 ARG A 21 11.371 -14.456 2.946 1.00 0.00 N ATOM 0 H ARG A 21 11.234 -8.116 0.564 1.00 0.00 H new ATOM 0 HA ARG A 21 11.020 -8.088 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.467 -10.474 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.428 -9.640 -0.870 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.739 -10.315 0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.883 -11.232 -0.342 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.842 -12.688 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 21 12.809 -11.714 0.394 1.00 0.00 H new ATOM 0 HE ARG A 21 10.483 -12.513 1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.178 -14.264 0.355 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.160 -15.482 1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.626 -13.967 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.759 -15.318 3.330 1.00 0.00 H new ATOM 347 N LEU A 22 8.277 -9.195 -0.795 1.00 0.00 N ATOM 348 CA LEU A 22 6.833 -9.377 -0.983 1.00 0.00 C ATOM 349 C LEU A 22 6.202 -8.039 -1.378 1.00 0.00 C ATOM 350 O LEU A 22 5.516 -7.948 -2.395 1.00 0.00 O ATOM 351 CB LEU A 22 6.183 -9.896 0.319 1.00 0.00 C ATOM 352 CG LEU A 22 6.808 -11.183 0.888 1.00 0.00 C ATOM 353 CD1 LEU A 22 6.348 -11.448 2.317 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.444 -12.396 0.042 1.00 0.00 C ATOM 0 H LEU A 22 8.560 -9.246 0.184 1.00 0.00 H new ATOM 0 HA LEU A 22 6.666 -10.110 -1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.245 -9.114 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.124 -10.075 0.133 1.00 0.00 H new ATOM 0 HG LEU A 22 7.887 -11.030 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.810 -12.364 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.641 -10.614 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.264 -11.556 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.901 -13.288 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.361 -12.515 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.810 -12.253 -0.975 1.00 0.00 H new ATOM 366 N LEU A 23 6.498 -6.988 -0.605 1.00 0.00 N ATOM 367 CA LEU A 23 5.943 -5.644 -0.775 1.00 0.00 C ATOM 368 C LEU A 23 6.138 -5.112 -2.209 1.00 0.00 C ATOM 369 O LEU A 23 5.195 -4.611 -2.817 1.00 0.00 O ATOM 370 CB LEU A 23 6.568 -4.714 0.291 1.00 0.00 C ATOM 371 CG LEU A 23 5.683 -3.566 0.778 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.083 -2.776 -0.379 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.588 -4.110 1.684 1.00 0.00 C ATOM 0 H LEU A 23 7.149 -7.053 0.178 1.00 0.00 H new ATOM 0 HA LEU A 23 4.864 -5.678 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.851 -5.319 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.486 -4.291 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 23 6.309 -2.875 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.462 -1.971 0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.884 -2.354 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.473 -3.438 -0.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.960 -3.289 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.979 -4.825 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.040 -4.607 2.543 1.00 0.00 H new ATOM 385 N ASN A 24 7.326 -5.300 -2.795 1.00 0.00 N ATOM 386 CA ASN A 24 7.664 -4.874 -4.160 1.00 0.00 C ATOM 387 C ASN A 24 6.657 -5.365 -5.218 1.00 0.00 C ATOM 388 O ASN A 24 6.358 -4.631 -6.158 1.00 0.00 O ATOM 389 CB ASN A 24 9.101 -5.310 -4.506 1.00 0.00 C ATOM 390 CG ASN A 24 10.124 -4.253 -4.126 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.586 -3.470 -4.944 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.498 -4.174 -2.872 1.00 0.00 N ATOM 0 H ASN A 24 8.100 -5.765 -2.321 1.00 0.00 H new ATOM 0 HA ASN A 24 7.604 -3.786 -4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.332 -6.241 -3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.171 -5.514 -5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.170 -3.463 -2.584 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.117 -4.824 -2.184 1.00 0.00 H new ATOM 399 N LYS A 25 6.069 -6.555 -5.037 1.00 0.00 N ATOM 400 CA LYS A 25 5.040 -7.128 -5.930 1.00 0.00 C ATOM 401 C LYS A 25 3.703 -6.391 -5.780 1.00 0.00 C ATOM 402 O LYS A 25 3.047 -6.057 -6.766 1.00 0.00 O ATOM 403 CB LYS A 25 4.850 -8.630 -5.628 1.00 0.00 C ATOM 404 CG LYS A 25 6.162 -9.438 -5.634 1.00 0.00 C ATOM 405 CD LYS A 25 5.974 -10.895 -5.179 1.00 0.00 C ATOM 406 CE LYS A 25 5.097 -11.751 -6.103 1.00 0.00 C ATOM 407 NZ LYS A 25 5.754 -12.029 -7.409 1.00 0.00 N ATOM 0 H LYS A 25 6.297 -7.163 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 25 5.382 -7.008 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.373 -8.737 -4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.169 -9.056 -6.365 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.583 -9.429 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.886 -8.950 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.954 -11.364 -5.095 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.534 -10.895 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.864 -12.694 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.150 -11.240 -6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.124 -12.610 -7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.953 -11.132 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.645 -12.540 -7.247 1.00 0.00 H new ATOM 421 N TYR A 26 3.336 -6.087 -4.534 1.00 0.00 N ATOM 422 CA TYR A 26 2.104 -5.393 -4.155 1.00 0.00 C ATOM 423 C TYR A 26 2.106 -3.938 -4.657 1.00 0.00 C ATOM 424 O TYR A 26 1.075 -3.456 -5.124 1.00 0.00 O ATOM 425 CB TYR A 26 1.908 -5.463 -2.623 1.00 0.00 C ATOM 426 CG TYR A 26 1.486 -6.816 -2.053 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.227 -7.987 -2.309 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.342 -6.903 -1.236 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.798 -9.237 -1.826 1.00 0.00 C ATOM 430 CE2 TYR A 26 -0.092 -8.148 -0.738 1.00 0.00 C ATOM 431 CZ TYR A 26 0.616 -9.324 -1.060 1.00 0.00 C ATOM 432 OH TYR A 26 0.151 -10.534 -0.642 1.00 0.00 O ATOM 0 H TYR A 26 3.913 -6.328 -3.728 1.00 0.00 H new ATOM 0 HA TYR A 26 1.262 -5.894 -4.632 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.842 -5.167 -2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.158 -4.724 -2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.138 -7.924 -2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.208 -6.007 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.371 -10.127 -2.041 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.968 -8.201 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.672 -10.407 -0.126 1.00 0.00 H new ATOM 442 N VAL A 27 3.258 -3.253 -4.633 1.00 0.00 N ATOM 443 CA VAL A 27 3.420 -1.905 -5.224 1.00 0.00 C ATOM 444 C VAL A 27 3.565 -1.930 -6.742 1.00 0.00 C ATOM 445 O VAL A 27 2.938 -1.119 -7.415 1.00 0.00 O ATOM 446 CB VAL A 27 4.564 -1.095 -4.584 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.257 -0.874 -3.107 1.00 0.00 C ATOM 448 CG2 VAL A 27 5.929 -1.770 -4.676 1.00 0.00 C ATOM 0 H VAL A 27 4.110 -3.614 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 27 2.487 -1.391 -4.992 1.00 0.00 H new ATOM 0 HB VAL A 27 4.620 -0.161 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.064 -0.301 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.321 -0.325 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.167 -1.838 -2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.680 -1.137 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.894 -2.733 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.190 -1.922 -5.723 1.00 0.00 H new ATOM 458 N GLN A 28 4.288 -2.897 -7.320 1.00 0.00 N ATOM 459 CA GLN A 28 4.381 -3.090 -8.781 1.00 0.00 C ATOM 460 C GLN A 28 3.010 -3.127 -9.471 1.00 0.00 C ATOM 461 O GLN A 28 2.901 -2.706 -10.620 1.00 0.00 O ATOM 462 CB GLN A 28 5.118 -4.400 -9.092 1.00 0.00 C ATOM 463 CG GLN A 28 6.573 -4.211 -9.546 1.00 0.00 C ATOM 464 CD GLN A 28 7.489 -5.367 -9.138 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.492 -5.196 -8.457 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.212 -6.589 -9.551 1.00 0.00 N ATOM 0 H GLN A 28 4.831 -3.576 -6.786 1.00 0.00 H new ATOM 0 HA GLN A 28 4.928 -2.231 -9.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.106 -5.031 -8.203 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.573 -4.935 -9.870 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.597 -4.103 -10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.960 -3.283 -9.125 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.383 -6.759 -10.120 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.827 -7.363 -9.302 1.00 0.00 H new ATOM 475 N CYS A 29 1.969 -3.565 -8.757 1.00 0.00 N ATOM 476 CA CYS A 29 0.576 -3.551 -9.196 1.00 0.00 C ATOM 477 C CYS A 29 0.074 -2.198 -9.750 1.00 0.00 C ATOM 478 O CYS A 29 -0.820 -2.179 -10.599 1.00 0.00 O ATOM 479 CB CYS A 29 -0.281 -4.001 -8.007 1.00 0.00 C ATOM 480 SG CYS A 29 -2.050 -4.218 -8.313 1.00 0.00 S ATOM 0 H CYS A 29 2.081 -3.954 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 29 0.493 -4.229 -10.046 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.118 -4.946 -7.639 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.162 -3.271 -7.207 1.00 0.00 H new ATOM 485 N LEU A 30 0.669 -1.081 -9.310 1.00 0.00 N ATOM 486 CA LEU A 30 0.422 0.259 -9.855 1.00 0.00 C ATOM 487 C LEU A 30 1.701 1.043 -10.234 1.00 0.00 C ATOM 488 O LEU A 30 1.607 2.047 -10.944 1.00 0.00 O ATOM 489 CB LEU A 30 -0.563 1.048 -8.956 1.00 0.00 C ATOM 490 CG LEU A 30 -0.236 1.321 -7.469 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.455 0.110 -6.556 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.182 1.833 -7.252 1.00 0.00 C ATOM 0 H LEU A 30 1.349 -1.085 -8.550 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.068 0.119 -10.819 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.724 2.016 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.515 0.518 -8.982 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.948 2.099 -7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.205 0.378 -5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.499 -0.199 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.183 -0.712 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.348 2.005 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.895 1.094 -7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.319 2.767 -7.796 1.00 0.00 H new ATOM 504 N LEU A 31 2.889 0.588 -9.809 1.00 0.00 N ATOM 505 CA LEU A 31 4.191 1.146 -10.202 1.00 0.00 C ATOM 506 C LEU A 31 4.555 0.736 -11.642 1.00 0.00 C ATOM 507 O LEU A 31 4.909 1.596 -12.452 1.00 0.00 O ATOM 508 CB LEU A 31 5.247 0.760 -9.128 1.00 0.00 C ATOM 509 CG LEU A 31 6.617 0.205 -9.570 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.497 1.238 -10.264 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.388 -0.297 -8.347 1.00 0.00 C ATOM 0 H LEU A 31 2.973 -0.199 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 31 4.155 2.235 -10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.435 1.646 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.790 0.017 -8.474 1.00 0.00 H new ATOM 0 HG LEU A 31 6.400 -0.593 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.444 0.778 -10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.991 1.606 -11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.686 2.070 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.355 -0.688 -8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.540 0.527 -7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.819 -1.087 -7.857 1.00 0.00 H new ATOM 523 N GLU A 32 4.440 -0.551 -11.988 1.00 0.00 N ATOM 524 CA GLU A 32 4.743 -1.039 -13.339 1.00 0.00 C ATOM 525 C GLU A 32 3.537 -0.893 -14.293 1.00 0.00 C ATOM 526 O GLU A 32 2.395 -0.687 -13.872 1.00 0.00 O ATOM 527 CB GLU A 32 5.229 -2.502 -13.298 1.00 0.00 C ATOM 528 CG GLU A 32 6.711 -2.627 -12.917 1.00 0.00 C ATOM 529 CD GLU A 32 7.656 -1.953 -13.934 1.00 0.00 C ATOM 530 OE1 GLU A 32 7.605 -2.296 -15.139 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.461 -1.078 -13.532 1.00 0.00 O ATOM 0 H GLU A 32 4.136 -1.281 -11.343 1.00 0.00 H new ATOM 0 HA GLU A 32 5.546 -0.416 -13.732 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.626 -3.060 -12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.070 -2.960 -14.274 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.866 -2.181 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.971 -3.682 -12.833 1.00 0.00 H new ATOM 538 N ASP A 33 3.785 -1.028 -15.599 1.00 0.00 N ATOM 539 CA ASP A 33 2.770 -0.930 -16.662 1.00 0.00 C ATOM 540 C ASP A 33 1.850 -2.171 -16.796 1.00 0.00 C ATOM 541 O ASP A 33 0.988 -2.203 -17.678 1.00 0.00 O ATOM 542 CB ASP A 33 3.477 -0.631 -17.996 1.00 0.00 C ATOM 543 CG ASP A 33 4.128 0.762 -18.007 1.00 0.00 C ATOM 544 OD1 ASP A 33 3.394 1.773 -18.129 1.00 0.00 O ATOM 545 OD2 ASP A 33 5.376 0.854 -17.910 1.00 0.00 O ATOM 0 H ASP A 33 4.721 -1.213 -15.960 1.00 0.00 H new ATOM 0 HA ASP A 33 2.099 -0.117 -16.382 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.239 -1.388 -18.179 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.757 -0.700 -18.811 1.00 0.00 H new ATOM 550 N ASP A 34 1.995 -3.191 -15.937 1.00 0.00 N ATOM 551 CA ASP A 34 1.252 -4.461 -16.004 1.00 0.00 C ATOM 552 C ASP A 34 0.731 -4.926 -14.633 1.00 0.00 C ATOM 553 O ASP A 34 1.398 -4.804 -13.601 1.00 0.00 O ATOM 554 CB ASP A 34 2.134 -5.567 -16.602 1.00 0.00 C ATOM 555 CG ASP A 34 2.513 -5.311 -18.071 1.00 0.00 C ATOM 556 OD1 ASP A 34 1.668 -5.570 -18.962 1.00 0.00 O ATOM 557 OD2 ASP A 34 3.666 -4.898 -18.344 1.00 0.00 O ATOM 0 H ASP A 34 2.649 -3.156 -15.155 1.00 0.00 H new ATOM 0 HA ASP A 34 0.388 -4.274 -16.642 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.044 -5.658 -16.009 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.610 -6.520 -16.529 1.00 0.00 H new ATOM 562 N GLU A 35 -0.457 -5.536 -14.643 1.00 0.00 N ATOM 563 CA GLU A 35 -1.233 -5.906 -13.443 1.00 0.00 C ATOM 564 C GLU A 35 -1.126 -7.391 -13.047 1.00 0.00 C ATOM 565 O GLU A 35 -1.719 -7.831 -12.063 1.00 0.00 O ATOM 566 CB GLU A 35 -2.692 -5.441 -13.603 1.00 0.00 C ATOM 567 CG GLU A 35 -3.446 -6.148 -14.740 1.00 0.00 C ATOM 568 CD GLU A 35 -4.895 -5.632 -14.845 1.00 0.00 C ATOM 569 OE1 GLU A 35 -5.136 -4.628 -15.558 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.806 -6.234 -14.225 1.00 0.00 O ATOM 0 H GLU A 35 -0.925 -5.797 -15.511 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.783 -5.381 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.223 -5.611 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.703 -4.366 -13.785 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.927 -5.981 -15.684 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.451 -7.224 -14.564 1.00 0.00 H new ATOM 577 N SER A 36 -0.304 -8.159 -13.764 1.00 0.00 N ATOM 578 CA SER A 36 0.074 -9.539 -13.401 1.00 0.00 C ATOM 579 C SER A 36 0.754 -9.617 -12.019 1.00 0.00 C ATOM 580 O SER A 36 0.660 -10.620 -11.310 1.00 0.00 O ATOM 581 CB SER A 36 1.012 -10.092 -14.481 1.00 0.00 C ATOM 582 OG SER A 36 1.243 -11.483 -14.323 1.00 0.00 O ATOM 0 H SER A 36 0.129 -7.840 -14.630 1.00 0.00 H new ATOM 0 HA SER A 36 -0.835 -10.137 -13.339 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.582 -9.905 -15.465 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.963 -9.560 -14.443 1.00 0.00 H new ATOM 0 HG SER A 36 1.844 -11.797 -15.031 1.00 0.00 H new ATOM 588 N ASN A 37 1.398 -8.516 -11.611 1.00 0.00 N ATOM 589 CA ASN A 37 2.033 -8.319 -10.307 1.00 0.00 C ATOM 590 C ASN A 37 1.055 -8.365 -9.111 1.00 0.00 C ATOM 591 O ASN A 37 1.466 -8.673 -7.992 1.00 0.00 O ATOM 592 CB ASN A 37 2.743 -6.954 -10.346 1.00 0.00 C ATOM 593 CG ASN A 37 3.865 -6.898 -11.369 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.942 -7.435 -11.161 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.682 -6.218 -12.480 1.00 0.00 N ATOM 0 H ASN A 37 1.494 -7.699 -12.214 1.00 0.00 H new ATOM 0 HA ASN A 37 2.725 -9.145 -10.144 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.013 -6.177 -10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.148 -6.733 -9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.437 -6.142 -13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.785 -5.767 -12.660 1.00 0.00 H new ATOM 602 N CYS A 38 -0.225 -8.041 -9.329 1.00 0.00 N ATOM 603 CA CYS A 38 -1.238 -7.941 -8.275 1.00 0.00 C ATOM 604 C CYS A 38 -1.633 -9.336 -7.740 1.00 0.00 C ATOM 605 O CYS A 38 -2.267 -10.119 -8.453 1.00 0.00 O ATOM 606 CB CYS A 38 -2.467 -7.210 -8.839 1.00 0.00 C ATOM 607 SG CYS A 38 -2.182 -5.656 -9.735 1.00 0.00 S ATOM 0 H CYS A 38 -0.591 -7.838 -10.259 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.826 -7.380 -7.436 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.987 -7.894 -9.510 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -3.143 -7.001 -8.010 1.00 0.00 H new ATOM 612 N THR A 39 -1.272 -9.665 -6.494 1.00 0.00 N ATOM 613 CA THR A 39 -1.615 -10.961 -5.865 1.00 0.00 C ATOM 614 C THR A 39 -3.098 -11.045 -5.470 1.00 0.00 C ATOM 615 O THR A 39 -3.798 -10.030 -5.437 1.00 0.00 O ATOM 616 CB THR A 39 -0.743 -11.250 -4.630 1.00 0.00 C ATOM 617 OG1 THR A 39 -1.081 -10.367 -3.591 1.00 0.00 O ATOM 618 CG2 THR A 39 0.756 -11.115 -4.901 1.00 0.00 C ATOM 0 H THR A 39 -0.734 -9.046 -5.888 1.00 0.00 H new ATOM 0 HA THR A 39 -1.416 -11.718 -6.624 1.00 0.00 H new ATOM 0 HB THR A 39 -0.941 -12.286 -4.355 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.309 -10.248 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.312 -11.332 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.050 -11.818 -5.681 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.977 -10.099 -5.227 1.00 0.00 H new ATOM 626 N ALA A 40 -3.578 -12.248 -5.130 1.00 0.00 N ATOM 627 CA ALA A 40 -4.971 -12.525 -4.747 1.00 0.00 C ATOM 628 C ALA A 40 -5.514 -11.677 -3.572 1.00 0.00 C ATOM 629 O ALA A 40 -6.724 -11.463 -3.480 1.00 0.00 O ATOM 630 CB ALA A 40 -5.092 -14.024 -4.442 1.00 0.00 C ATOM 0 H ALA A 40 -2.991 -13.082 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.597 -12.234 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.118 -14.255 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.825 -14.598 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.419 -14.285 -3.625 1.00 0.00 H new ATOM 636 N ASP A 41 -4.634 -11.169 -2.701 1.00 0.00 N ATOM 637 CA ASP A 41 -4.976 -10.265 -1.589 1.00 0.00 C ATOM 638 C ASP A 41 -4.373 -8.859 -1.770 1.00 0.00 C ATOM 639 O ASP A 41 -5.013 -7.865 -1.424 1.00 0.00 O ATOM 640 CB ASP A 41 -4.518 -10.909 -0.274 1.00 0.00 C ATOM 641 CG ASP A 41 -4.874 -10.043 0.947 1.00 0.00 C ATOM 642 OD1 ASP A 41 -6.081 -9.881 1.245 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.943 -9.536 1.616 1.00 0.00 O ATOM 0 H ASP A 41 -3.637 -11.379 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.057 -10.124 -1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.982 -11.890 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.440 -11.067 -0.304 1.00 0.00 H new ATOM 648 N GLY A 42 -3.195 -8.748 -2.395 1.00 0.00 N ATOM 649 CA GLY A 42 -2.552 -7.476 -2.728 1.00 0.00 C ATOM 650 C GLY A 42 -3.393 -6.585 -3.635 1.00 0.00 C ATOM 651 O GLY A 42 -3.463 -5.377 -3.415 1.00 0.00 O ATOM 0 H GLY A 42 -2.652 -9.560 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.332 -6.937 -1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.598 -7.677 -3.214 1.00 0.00 H new ATOM 655 N LYS A 43 -4.101 -7.182 -4.603 1.00 0.00 N ATOM 656 CA LYS A 43 -5.080 -6.491 -5.458 1.00 0.00 C ATOM 657 C LYS A 43 -6.232 -5.843 -4.689 1.00 0.00 C ATOM 658 O LYS A 43 -6.746 -4.818 -5.124 1.00 0.00 O ATOM 659 CB LYS A 43 -5.623 -7.475 -6.519 1.00 0.00 C ATOM 660 CG LYS A 43 -6.622 -8.496 -5.935 1.00 0.00 C ATOM 661 CD LYS A 43 -6.925 -9.722 -6.805 1.00 0.00 C ATOM 662 CE LYS A 43 -7.641 -9.419 -8.133 1.00 0.00 C ATOM 663 NZ LYS A 43 -6.698 -9.146 -9.253 1.00 0.00 N ATOM 0 H LYS A 43 -4.009 -8.175 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.550 -5.668 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.111 -6.911 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.788 -8.009 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.236 -8.843 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.560 -7.980 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.988 -10.233 -7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.539 -10.414 -6.229 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.276 -10.264 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.296 -8.558 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.236 -8.982 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.131 -8.302 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.067 -9.963 -9.382 1.00 0.00 H new ATOM 677 N GLU A 44 -6.645 -6.426 -3.566 1.00 0.00 N ATOM 678 CA GLU A 44 -7.709 -5.880 -2.725 1.00 0.00 C ATOM 679 C GLU A 44 -7.153 -4.825 -1.756 1.00 0.00 C ATOM 680 O GLU A 44 -7.698 -3.723 -1.694 1.00 0.00 O ATOM 681 CB GLU A 44 -8.449 -7.034 -2.034 1.00 0.00 C ATOM 682 CG GLU A 44 -9.707 -6.535 -1.312 1.00 0.00 C ATOM 683 CD GLU A 44 -10.521 -7.704 -0.725 1.00 0.00 C ATOM 684 OE1 GLU A 44 -11.262 -8.374 -1.486 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.441 -7.941 0.503 1.00 0.00 O ATOM 0 H GLU A 44 -6.249 -7.296 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.442 -5.351 -3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.725 -7.786 -2.773 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.784 -7.519 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.422 -5.851 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.328 -5.971 -2.008 1.00 0.00 H new ATOM 692 N LEU A 45 -6.012 -5.097 -1.101 1.00 0.00 N ATOM 693 CA LEU A 45 -5.256 -4.138 -0.283 1.00 0.00 C ATOM 694 C LEU A 45 -4.984 -2.839 -1.056 1.00 0.00 C ATOM 695 O LEU A 45 -5.373 -1.764 -0.606 1.00 0.00 O ATOM 696 CB LEU A 45 -3.966 -4.821 0.236 1.00 0.00 C ATOM 697 CG LEU A 45 -2.959 -3.870 0.933 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.246 -4.528 2.124 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.875 -3.376 -0.033 1.00 0.00 C ATOM 0 H LEU A 45 -5.578 -6.020 -1.128 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.848 -3.842 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.246 -5.608 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.466 -5.305 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.564 -3.035 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.554 -3.816 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.984 -4.833 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.694 -5.403 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.191 -2.713 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.322 -4.229 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.341 -2.835 -0.857 1.00 0.00 H new ATOM 711 N LYS A 46 -4.401 -2.913 -2.258 1.00 0.00 N ATOM 712 CA LYS A 46 -4.123 -1.718 -3.073 1.00 0.00 C ATOM 713 C LYS A 46 -5.393 -1.003 -3.540 1.00 0.00 C ATOM 714 O LYS A 46 -5.362 0.199 -3.767 1.00 0.00 O ATOM 715 CB LYS A 46 -3.176 -2.055 -4.242 1.00 0.00 C ATOM 716 CG LYS A 46 -3.862 -2.831 -5.377 1.00 0.00 C ATOM 717 CD LYS A 46 -4.323 -1.955 -6.555 1.00 0.00 C ATOM 718 CE LYS A 46 -5.233 -2.770 -7.485 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.690 -1.965 -8.650 1.00 0.00 N ATOM 0 H LYS A 46 -4.111 -3.789 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.611 -1.005 -2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.762 -1.130 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.339 -2.642 -3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.174 -3.589 -5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.726 -3.357 -4.971 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.857 -1.081 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.458 -1.588 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.697 -3.651 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.099 -3.127 -6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.302 -2.548 -9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.223 -1.138 -8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.865 -1.646 -9.197 1.00 0.00 H new ATOM 733 N SER A 47 -6.505 -1.729 -3.681 1.00 0.00 N ATOM 734 CA SER A 47 -7.795 -1.172 -4.124 1.00 0.00 C ATOM 735 C SER A 47 -8.531 -0.438 -2.995 1.00 0.00 C ATOM 736 O SER A 47 -9.281 0.499 -3.267 1.00 0.00 O ATOM 737 CB SER A 47 -8.685 -2.274 -4.711 1.00 0.00 C ATOM 738 OG SER A 47 -9.810 -1.732 -5.386 1.00 0.00 O ATOM 0 H SER A 47 -6.540 -2.730 -3.490 1.00 0.00 H new ATOM 0 HA SER A 47 -7.576 -0.438 -4.900 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.103 -2.883 -5.403 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.022 -2.934 -3.912 1.00 0.00 H new ATOM 0 HG SER A 47 -10.356 -2.460 -5.750 1.00 0.00 H new ATOM 744 N VAL A 48 -8.287 -0.802 -1.729 1.00 0.00 N ATOM 745 CA VAL A 48 -8.816 -0.076 -0.562 1.00 0.00 C ATOM 746 C VAL A 48 -7.901 1.065 -0.087 1.00 0.00 C ATOM 747 O VAL A 48 -8.385 1.999 0.552 1.00 0.00 O ATOM 748 CB VAL A 48 -9.163 -1.045 0.583 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.937 -1.742 1.158 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.859 -0.335 1.741 1.00 0.00 C ATOM 0 H VAL A 48 -7.716 -1.610 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.737 0.405 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.827 -1.781 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.243 -2.412 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.444 -2.317 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.246 -0.997 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.086 -1.056 2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.204 0.441 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.785 0.118 1.386 1.00 0.00 H new ATOM 760 N ILE A 49 -6.602 1.057 -0.431 1.00 0.00 N ATOM 761 CA ILE A 49 -5.685 2.153 -0.071 1.00 0.00 C ATOM 762 C ILE A 49 -6.246 3.529 -0.496 1.00 0.00 C ATOM 763 O ILE A 49 -6.292 4.422 0.349 1.00 0.00 O ATOM 764 CB ILE A 49 -4.236 1.940 -0.599 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.492 0.928 0.302 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.414 3.252 -0.655 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.095 0.513 -0.180 1.00 0.00 C ATOM 0 H ILE A 49 -6.162 0.303 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.616 2.141 1.017 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.329 1.562 -1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.400 1.356 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.106 0.032 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.413 3.039 -1.031 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.907 3.962 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.342 3.679 0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.663 -0.198 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.172 0.049 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.456 1.394 -0.244 1.00 0.00 H new ATOM 779 N PRO A 50 -6.712 3.729 -1.750 1.00 0.00 N ATOM 780 CA PRO A 50 -7.259 5.017 -2.181 1.00 0.00 C ATOM 781 C PRO A 50 -8.658 5.295 -1.598 1.00 0.00 C ATOM 782 O PRO A 50 -9.039 6.452 -1.432 1.00 0.00 O ATOM 783 CB PRO A 50 -7.298 4.948 -3.711 1.00 0.00 C ATOM 784 CG PRO A 50 -7.464 3.457 -3.998 1.00 0.00 C ATOM 785 CD PRO A 50 -6.688 2.796 -2.872 1.00 0.00 C ATOM 0 HA PRO A 50 -6.641 5.839 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.125 5.529 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.383 5.342 -4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.513 3.160 -3.992 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.063 3.188 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.141 1.844 -2.595 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.664 2.584 -3.179 1.00 0.00 H new ATOM 793 N ASP A 51 -9.424 4.263 -1.225 1.00 0.00 N ATOM 794 CA ASP A 51 -10.713 4.414 -0.527 1.00 0.00 C ATOM 795 C ASP A 51 -10.550 5.004 0.883 1.00 0.00 C ATOM 796 O ASP A 51 -11.413 5.759 1.340 1.00 0.00 O ATOM 797 CB ASP A 51 -11.453 3.068 -0.471 1.00 0.00 C ATOM 798 CG ASP A 51 -12.455 2.919 -1.622 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.045 2.734 -2.790 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.671 3.002 -1.339 1.00 0.00 O ATOM 0 H ASP A 51 -9.168 3.291 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.309 5.124 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.729 2.254 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.977 2.981 0.481 1.00 0.00 H new ATOM 805 N ALA A 52 -9.415 4.761 1.546 1.00 0.00 N ATOM 806 CA ALA A 52 -9.039 5.458 2.779 1.00 0.00 C ATOM 807 C ALA A 52 -8.758 6.968 2.581 1.00 0.00 C ATOM 808 O ALA A 52 -8.642 7.703 3.563 1.00 0.00 O ATOM 809 CB ALA A 52 -7.854 4.730 3.423 1.00 0.00 C ATOM 0 H ALA A 52 -8.728 4.072 1.240 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.895 5.428 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.568 5.242 4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.139 3.704 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.011 4.725 2.732 1.00 0.00 H new ATOM 815 N LEU A 53 -8.702 7.441 1.330 1.00 0.00 N ATOM 816 CA LEU A 53 -8.462 8.837 0.934 1.00 0.00 C ATOM 817 C LEU A 53 -9.706 9.489 0.283 1.00 0.00 C ATOM 818 O LEU A 53 -9.725 10.702 0.068 1.00 0.00 O ATOM 819 CB LEU A 53 -7.268 8.905 -0.044 1.00 0.00 C ATOM 820 CG LEU A 53 -6.066 7.985 0.250 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.024 8.079 -0.864 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.382 8.305 1.577 1.00 0.00 C ATOM 0 H LEU A 53 -8.829 6.830 0.524 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.238 9.397 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.636 8.672 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.909 9.934 -0.068 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.473 6.976 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.186 7.421 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.474 7.777 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.668 9.106 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.544 7.624 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.017 9.332 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.096 8.188 2.392 1.00 0.00 H new ATOM 834 N SER A 54 -10.743 8.694 -0.016 1.00 0.00 N ATOM 835 CA SER A 54 -11.940 9.098 -0.780 1.00 0.00 C ATOM 836 C SER A 54 -13.244 8.985 0.030 1.00 0.00 C ATOM 837 O SER A 54 -14.141 9.822 -0.103 1.00 0.00 O ATOM 838 CB SER A 54 -12.022 8.238 -2.048 1.00 0.00 C ATOM 839 OG SER A 54 -12.991 8.750 -2.948 1.00 0.00 O ATOM 0 H SER A 54 -10.776 7.717 0.276 1.00 0.00 H new ATOM 0 HA SER A 54 -11.836 10.153 -1.033 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.047 8.209 -2.535 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.275 7.212 -1.780 1.00 0.00 H new ATOM 0 HG SER A 54 -13.024 8.186 -3.749 1.00 0.00 H new ATOM 845 N ASN A 55 -13.324 8.003 0.936 1.00 0.00 N ATOM 846 CA ASN A 55 -14.417 7.806 1.903 1.00 0.00 C ATOM 847 C ASN A 55 -13.887 7.341 3.278 1.00 0.00 C ATOM 848 O ASN A 55 -14.613 6.707 4.041 1.00 0.00 O ATOM 849 CB ASN A 55 -15.520 6.880 1.319 1.00 0.00 C ATOM 850 CG ASN A 55 -15.058 5.872 0.282 1.00 0.00 C ATOM 851 OD1 ASN A 55 -15.443 5.916 -0.876 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.241 4.919 0.662 1.00 0.00 N ATOM 0 H ASN A 55 -12.598 7.291 1.021 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.892 8.771 2.083 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.986 6.338 2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.293 7.505 0.871 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.929 4.217 -0.009 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.918 4.880 1.629 1.00 0.00 H new ATOM 859 N GLU A 56 -12.615 7.616 3.598 1.00 0.00 N ATOM 860 CA GLU A 56 -11.960 7.270 4.877 1.00 0.00 C ATOM 861 C GLU A 56 -12.116 5.785 5.284 1.00 0.00 C ATOM 862 O GLU A 56 -12.148 5.448 6.469 1.00 0.00 O ATOM 863 CB GLU A 56 -12.400 8.255 5.980 1.00 0.00 C ATOM 864 CG GLU A 56 -12.048 9.712 5.648 1.00 0.00 C ATOM 865 CD GLU A 56 -12.458 10.652 6.799 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.641 10.881 7.724 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.599 11.177 6.784 1.00 0.00 O ATOM 0 H GLU A 56 -11.989 8.101 2.956 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.886 7.383 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.477 8.170 6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.925 7.976 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.977 9.799 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.553 10.012 4.730 1.00 0.00 H new ATOM 874 N CYS A 57 -12.228 4.887 4.292 1.00 0.00 N ATOM 875 CA CYS A 57 -12.497 3.454 4.466 1.00 0.00 C ATOM 876 C CYS A 57 -13.813 3.170 5.230 1.00 0.00 C ATOM 877 O CYS A 57 -13.943 2.153 5.902 1.00 0.00 O ATOM 878 CB CYS A 57 -11.267 2.781 5.109 1.00 0.00 C ATOM 879 SG CYS A 57 -10.829 1.100 4.568 1.00 0.00 S ATOM 0 H CYS A 57 -12.130 5.151 3.312 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.659 3.012 3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.405 3.424 4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.428 2.753 6.187 1.00 0.00 H new ATOM 884 N ALA A 58 -14.813 4.055 5.179 1.00 0.00 N ATOM 885 CA ALA A 58 -16.027 3.913 5.988 1.00 0.00 C ATOM 886 C ALA A 58 -16.845 2.643 5.674 1.00 0.00 C ATOM 887 O ALA A 58 -17.448 2.062 6.580 1.00 0.00 O ATOM 888 CB ALA A 58 -16.867 5.187 5.821 1.00 0.00 C ATOM 0 H ALA A 58 -14.805 4.882 4.582 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.727 3.788 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.777 5.103 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.291 6.049 6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.130 5.314 4.771 1.00 0.00 H new ATOM 894 N LYS A 59 -16.818 2.172 4.417 1.00 0.00 N ATOM 895 CA LYS A 59 -17.452 0.898 4.005 1.00 0.00 C ATOM 896 C LYS A 59 -16.729 -0.381 4.482 1.00 0.00 C ATOM 897 O LYS A 59 -17.311 -1.468 4.454 1.00 0.00 O ATOM 898 CB LYS A 59 -17.724 0.867 2.488 1.00 0.00 C ATOM 899 CG LYS A 59 -16.457 0.837 1.622 1.00 0.00 C ATOM 900 CD LYS A 59 -16.025 2.229 1.142 1.00 0.00 C ATOM 901 CE LYS A 59 -16.838 2.730 -0.062 1.00 0.00 C ATOM 902 NZ LYS A 59 -16.319 2.185 -1.343 1.00 0.00 N ATOM 0 H LYS A 59 -16.356 2.662 3.651 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.406 0.882 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.329 -0.009 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.314 1.743 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.644 0.387 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.631 0.198 0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.128 2.938 1.963 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.969 2.203 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.882 2.442 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.809 3.819 -0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.995 2.390 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.404 2.627 -1.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.195 1.156 -1.257 1.00 0.00 H new ATOM 916 N CYS A 60 -15.463 -0.263 4.882 1.00 0.00 N ATOM 917 CA CYS A 60 -14.533 -1.352 5.159 1.00 0.00 C ATOM 918 C CYS A 60 -14.884 -2.177 6.410 1.00 0.00 C ATOM 919 O CYS A 60 -15.732 -1.804 7.224 1.00 0.00 O ATOM 920 CB CYS A 60 -13.149 -0.715 5.334 1.00 0.00 C ATOM 921 SG CYS A 60 -12.527 0.184 3.890 1.00 0.00 S ATOM 0 H CYS A 60 -15.036 0.651 5.029 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.574 -2.057 4.329 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.186 -0.029 6.181 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.436 -1.498 5.590 1.00 0.00 H new ATOM 926 N ASN A 61 -14.158 -3.278 6.595 1.00 0.00 N ATOM 927 CA ASN A 61 -14.021 -3.959 7.892 1.00 0.00 C ATOM 928 C ASN A 61 -12.801 -3.431 8.672 1.00 0.00 C ATOM 929 O ASN A 61 -11.955 -2.720 8.125 1.00 0.00 O ATOM 930 CB ASN A 61 -13.964 -5.480 7.653 1.00 0.00 C ATOM 931 CG ASN A 61 -12.786 -5.934 6.807 1.00 0.00 C ATOM 932 OD1 ASN A 61 -11.730 -5.330 6.781 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.933 -6.993 6.058 1.00 0.00 N ATOM 0 H ASN A 61 -13.640 -3.732 5.843 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.888 -3.745 8.517 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.921 -5.987 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.888 -5.795 7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.168 -7.305 5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.813 -7.508 6.071 1.00 0.00 H new ATOM 940 N GLU A 62 -12.679 -3.785 9.952 1.00 0.00 N ATOM 941 CA GLU A 62 -11.560 -3.343 10.794 1.00 0.00 C ATOM 942 C GLU A 62 -10.194 -3.868 10.318 1.00 0.00 C ATOM 943 O GLU A 62 -9.192 -3.163 10.454 1.00 0.00 O ATOM 944 CB GLU A 62 -11.797 -3.671 12.280 1.00 0.00 C ATOM 945 CG GLU A 62 -11.996 -5.156 12.632 1.00 0.00 C ATOM 946 CD GLU A 62 -13.480 -5.564 12.588 1.00 0.00 C ATOM 947 OE1 GLU A 62 -14.035 -5.703 11.472 1.00 0.00 O ATOM 948 OE2 GLU A 62 -14.095 -5.735 13.667 1.00 0.00 O ATOM 0 H GLU A 62 -13.349 -4.384 10.435 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.524 -2.259 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.948 -3.296 12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.676 -3.120 12.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.429 -5.773 11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.596 -5.350 13.627 1.00 0.00 H new ATOM 955 N LYS A 63 -10.149 -5.061 9.697 1.00 0.00 N ATOM 956 CA LYS A 63 -8.922 -5.642 9.120 1.00 0.00 C ATOM 957 C LYS A 63 -8.308 -4.715 8.068 1.00 0.00 C ATOM 958 O LYS A 63 -7.106 -4.462 8.097 1.00 0.00 O ATOM 959 CB LYS A 63 -9.201 -7.023 8.492 1.00 0.00 C ATOM 960 CG LYS A 63 -9.704 -8.116 9.448 1.00 0.00 C ATOM 961 CD LYS A 63 -8.691 -8.469 10.547 1.00 0.00 C ATOM 962 CE LYS A 63 -9.125 -9.758 11.256 1.00 0.00 C ATOM 963 NZ LYS A 63 -8.176 -10.135 12.338 1.00 0.00 N ATOM 0 H LYS A 63 -10.970 -5.654 9.580 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.211 -5.763 9.937 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.938 -6.896 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.284 -7.376 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.633 -7.785 9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.936 -9.013 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.699 -8.597 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.621 -7.653 11.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.122 -9.625 11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.191 -10.569 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.501 -11.011 12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.230 -10.286 11.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.133 -9.372 13.043 1.00 0.00 H new ATOM 977 N GLN A 64 -9.136 -4.176 7.173 1.00 0.00 N ATOM 978 CA GLN A 64 -8.726 -3.236 6.131 1.00 0.00 C ATOM 979 C GLN A 64 -8.466 -1.832 6.691 1.00 0.00 C ATOM 980 O GLN A 64 -7.425 -1.256 6.385 1.00 0.00 O ATOM 981 CB GLN A 64 -9.801 -3.182 5.032 1.00 0.00 C ATOM 982 CG GLN A 64 -9.975 -4.495 4.252 1.00 0.00 C ATOM 983 CD GLN A 64 -8.864 -4.810 3.255 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.698 -4.473 3.404 1.00 0.00 O ATOM 985 NE2 GLN A 64 -9.196 -5.501 2.191 1.00 0.00 N ATOM 0 H GLN A 64 -10.134 -4.386 7.152 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.786 -3.593 5.709 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.755 -2.914 5.486 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.547 -2.387 4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.045 -5.316 4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.923 -4.457 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.164 -5.790 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.486 -5.750 1.502 1.00 0.00 H new ATOM 994 N LYS A 65 -9.356 -1.303 7.550 1.00 0.00 N ATOM 995 CA LYS A 65 -9.194 0.017 8.203 1.00 0.00 C ATOM 996 C LYS A 65 -7.864 0.139 8.944 1.00 0.00 C ATOM 997 O LYS A 65 -7.114 1.083 8.707 1.00 0.00 O ATOM 998 CB LYS A 65 -10.339 0.308 9.191 1.00 0.00 C ATOM 999 CG LYS A 65 -11.689 0.553 8.511 1.00 0.00 C ATOM 1000 CD LYS A 65 -12.806 0.769 9.543 1.00 0.00 C ATOM 1001 CE LYS A 65 -14.168 0.768 8.842 1.00 0.00 C ATOM 1002 NZ LYS A 65 -15.283 1.075 9.776 1.00 0.00 N ATOM 0 H LYS A 65 -10.217 -1.781 7.815 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.215 0.749 7.396 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.436 -0.532 9.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.079 1.182 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.618 1.426 7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.938 -0.297 7.876 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.774 -0.018 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.655 1.715 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.160 1.502 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.338 -0.207 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.184 1.063 9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.309 0.361 10.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -15.137 2.016 10.194 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.553 -0.802 9.835 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.265 -0.820 10.538 1.00 0.00 C ATOM 1018 C GLU A 66 -5.117 -1.187 9.590 1.00 0.00 C ATOM 1019 O GLU A 66 -4.054 -0.571 9.657 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.300 -1.794 11.727 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.251 -1.325 12.836 1.00 0.00 C ATOM 1022 CD GLU A 66 -7.112 -2.205 14.094 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -6.143 -2.008 14.868 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.970 -3.090 14.329 1.00 0.00 O ATOM 0 H GLU A 66 -8.178 -1.567 10.090 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.087 0.187 10.917 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.610 -2.779 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.295 -1.902 12.135 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.036 -0.287 13.089 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.279 -1.359 12.476 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.342 -2.155 8.693 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.364 -2.668 7.735 1.00 0.00 C ATOM 1033 C GLY A 67 -3.779 -1.598 6.817 1.00 0.00 C ATOM 1034 O GLY A 67 -2.577 -1.354 6.852 1.00 0.00 O ATOM 0 H GLY A 67 -6.247 -2.618 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.552 -3.148 8.281 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.837 -3.438 7.125 1.00 0.00 H new ATOM 1038 N THR A 68 -4.586 -0.903 6.015 1.00 0.00 N ATOM 1039 CA THR A 68 -4.030 0.103 5.097 1.00 0.00 C ATOM 1040 C THR A 68 -3.417 1.290 5.830 1.00 0.00 C ATOM 1041 O THR A 68 -2.357 1.744 5.409 1.00 0.00 O ATOM 1042 CB THR A 68 -5.035 0.594 4.056 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.219 1.055 4.666 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.356 -0.532 3.082 1.00 0.00 C ATOM 0 H THR A 68 -5.600 -1.009 5.978 1.00 0.00 H new ATOM 0 HA THR A 68 -3.235 -0.420 4.565 1.00 0.00 H new ATOM 0 HB THR A 68 -4.588 1.429 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.683 0.303 5.089 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.073 -0.179 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.442 -0.850 2.580 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.783 -1.374 3.627 1.00 0.00 H new ATOM 1052 N LYS A 69 -3.989 1.742 6.959 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.403 2.816 7.788 1.00 0.00 C ATOM 1054 C LYS A 69 -2.022 2.459 8.352 1.00 0.00 C ATOM 1055 O LYS A 69 -1.111 3.283 8.274 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.355 3.232 8.924 1.00 0.00 C ATOM 1057 CG LYS A 69 -5.564 4.025 8.402 1.00 0.00 C ATOM 1058 CD LYS A 69 -6.388 4.726 9.498 1.00 0.00 C ATOM 1059 CE LYS A 69 -6.971 3.798 10.577 1.00 0.00 C ATOM 1060 NZ LYS A 69 -6.095 3.681 11.777 1.00 0.00 N ATOM 0 H LYS A 69 -4.868 1.376 7.324 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.262 3.664 7.118 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.704 2.342 9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.811 3.837 9.650 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.212 4.775 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.217 3.348 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.757 5.470 9.984 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.208 5.265 9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.948 4.173 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.128 2.807 10.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.538 3.044 12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.170 3.297 11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.964 4.620 12.204 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.822 1.243 8.879 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.490 0.786 9.326 1.00 0.00 C ATOM 1076 C LYS A 70 0.459 0.608 8.142 1.00 0.00 C ATOM 1077 O LYS A 70 1.597 1.069 8.191 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.569 -0.455 10.253 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.938 -1.788 9.576 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.080 -3.036 10.463 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.164 -2.916 11.548 1.00 0.00 C ATOM 1082 NZ LYS A 70 -1.629 -2.431 12.850 1.00 0.00 N ATOM 0 H LYS A 70 -2.564 0.555 9.008 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.061 1.572 9.947 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.396 -0.577 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.302 -0.253 11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.881 -1.644 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.180 -2.000 8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.308 -3.894 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.122 -3.239 10.942 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.942 -2.234 11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.634 -3.888 11.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.418 -2.160 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.077 -3.188 13.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.017 -1.606 12.688 1.00 0.00 H new ATOM 1096 N VAL A 71 0.010 -0.022 7.059 1.00 0.00 N ATOM 1097 CA VAL A 71 0.850 -0.343 5.889 1.00 0.00 C ATOM 1098 C VAL A 71 1.355 0.910 5.183 1.00 0.00 C ATOM 1099 O VAL A 71 2.549 0.991 4.906 1.00 0.00 O ATOM 1100 CB VAL A 71 0.089 -1.287 4.943 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.798 -1.524 3.604 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.095 -2.637 5.651 1.00 0.00 C ATOM 0 H VAL A 71 -0.957 -0.331 6.960 1.00 0.00 H new ATOM 0 HA VAL A 71 1.743 -0.862 6.237 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.863 -0.809 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.201 -2.199 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.920 -0.574 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.777 -1.967 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.633 -3.321 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.881 -3.058 5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.664 -2.492 6.569 1.00 0.00 H new ATOM 1112 N LEU A 72 0.506 1.926 5.007 1.00 0.00 N ATOM 1113 CA LEU A 72 0.874 3.252 4.493 1.00 0.00 C ATOM 1114 C LEU A 72 2.096 3.832 5.207 1.00 0.00 C ATOM 1115 O LEU A 72 3.015 4.299 4.536 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.387 4.141 4.538 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.293 5.655 4.794 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.659 6.229 4.428 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.048 5.991 6.271 1.00 0.00 C ATOM 0 H LEU A 72 -0.488 1.848 5.224 1.00 0.00 H new ATOM 0 HA LEU A 72 1.203 3.188 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.900 4.012 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.038 3.729 5.309 1.00 0.00 H new ATOM 0 HG LEU A 72 0.537 6.060 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.656 7.307 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.873 6.020 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.425 5.771 5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.010 7.073 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.868 5.601 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.889 5.539 6.597 1.00 0.00 H new ATOM 1131 N LYS A 73 2.152 3.738 6.544 1.00 0.00 N ATOM 1132 CA LYS A 73 3.221 4.333 7.358 1.00 0.00 C ATOM 1133 C LYS A 73 4.555 3.608 7.162 1.00 0.00 C ATOM 1134 O LYS A 73 5.592 4.244 6.978 1.00 0.00 O ATOM 1135 CB LYS A 73 2.780 4.299 8.832 1.00 0.00 C ATOM 1136 CG LYS A 73 3.812 4.859 9.827 1.00 0.00 C ATOM 1137 CD LYS A 73 4.301 6.288 9.542 1.00 0.00 C ATOM 1138 CE LYS A 73 3.178 7.323 9.662 1.00 0.00 C ATOM 1139 NZ LYS A 73 3.713 8.705 9.542 1.00 0.00 N ATOM 0 H LYS A 73 1.451 3.243 7.095 1.00 0.00 H new ATOM 0 HA LYS A 73 3.384 5.363 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.854 4.865 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.554 3.268 9.106 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.377 4.835 10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.676 4.194 9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.101 6.541 10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.726 6.331 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.433 7.149 8.885 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.672 7.207 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.152 9.347 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.705 8.722 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.657 9.014 8.551 1.00 0.00 H new ATOM 1153 N HIS A 74 4.522 2.275 7.154 1.00 0.00 N ATOM 1154 CA HIS A 74 5.686 1.430 6.857 1.00 0.00 C ATOM 1155 C HIS A 74 6.177 1.652 5.427 1.00 0.00 C ATOM 1156 O HIS A 74 7.375 1.807 5.228 1.00 0.00 O ATOM 1157 CB HIS A 74 5.358 -0.056 7.065 1.00 0.00 C ATOM 1158 CG HIS A 74 5.015 -0.434 8.483 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.758 -0.358 9.036 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.827 -1.052 9.395 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.772 -0.963 10.232 1.00 0.00 C ATOM 1162 NE2 HIS A 74 5.036 -1.361 10.494 1.00 0.00 N ATOM 0 H HIS A 74 3.676 1.742 7.356 1.00 0.00 H new ATOM 0 HA HIS A 74 6.478 1.716 7.549 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.521 -0.323 6.420 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.212 -0.651 6.741 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.947 0.087 8.606 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.881 -1.260 9.282 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.918 -1.108 10.877 1.00 0.00 H new ATOM 1171 N LEU A 75 5.280 1.715 4.442 1.00 0.00 N ATOM 1172 CA LEU A 75 5.643 1.915 3.037 1.00 0.00 C ATOM 1173 C LEU A 75 6.365 3.257 2.830 1.00 0.00 C ATOM 1174 O LEU A 75 7.424 3.277 2.209 1.00 0.00 O ATOM 1175 CB LEU A 75 4.378 1.842 2.158 1.00 0.00 C ATOM 1176 CG LEU A 75 4.178 0.497 1.439 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.313 -0.721 2.361 1.00 0.00 C ATOM 1178 CD2 LEU A 75 2.803 0.502 0.770 1.00 0.00 C ATOM 0 H LEU A 75 4.276 1.628 4.597 1.00 0.00 H new ATOM 0 HA LEU A 75 6.332 1.123 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.506 2.040 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.423 2.635 1.412 1.00 0.00 H new ATOM 0 HG LEU A 75 4.974 0.399 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.159 -1.633 1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.309 -0.734 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.566 -0.663 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.645 -0.446 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.030 0.637 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.752 1.319 0.050 1.00 0.00 H new ATOM 1190 N ILE A 76 5.859 4.362 3.393 1.00 0.00 N ATOM 1191 CA ILE A 76 6.544 5.666 3.314 1.00 0.00 C ATOM 1192 C ILE A 76 7.899 5.656 4.050 1.00 0.00 C ATOM 1193 O ILE A 76 8.863 6.248 3.567 1.00 0.00 O ATOM 1194 CB ILE A 76 5.591 6.815 3.739 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.121 8.220 3.399 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.114 6.799 5.196 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.966 8.906 4.484 1.00 0.00 C ATOM 0 H ILE A 76 4.979 4.383 3.908 1.00 0.00 H new ATOM 0 HA ILE A 76 6.802 5.860 2.273 1.00 0.00 H new ATOM 0 HB ILE A 76 4.718 6.597 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.720 8.150 2.491 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.270 8.862 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.455 7.649 5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.572 5.873 5.391 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.975 6.863 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.283 9.888 4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.371 9.020 5.390 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.844 8.297 4.700 1.00 0.00 H new ATOM 1209 N ASN A 77 8.014 4.927 5.169 1.00 0.00 N ATOM 1210 CA ASN A 77 9.273 4.766 5.917 1.00 0.00 C ATOM 1211 C ASN A 77 10.328 3.898 5.198 1.00 0.00 C ATOM 1212 O ASN A 77 11.517 4.226 5.227 1.00 0.00 O ATOM 1213 CB ASN A 77 8.962 4.176 7.308 1.00 0.00 C ATOM 1214 CG ASN A 77 8.704 5.264 8.332 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.573 5.598 9.124 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.540 5.870 8.322 1.00 0.00 N ATOM 0 H ASN A 77 7.229 4.427 5.586 1.00 0.00 H new ATOM 0 HA ASN A 77 9.716 5.758 6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.090 3.525 7.241 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.797 3.557 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.354 6.627 8.979 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.822 5.584 7.657 1.00 0.00 H new ATOM 1223 N HIS A 78 9.908 2.794 4.573 1.00 0.00 N ATOM 1224 CA HIS A 78 10.791 1.719 4.072 1.00 0.00 C ATOM 1225 C HIS A 78 10.945 1.665 2.548 1.00 0.00 C ATOM 1226 O HIS A 78 11.938 1.134 2.047 1.00 0.00 O ATOM 1227 CB HIS A 78 10.266 0.366 4.572 1.00 0.00 C ATOM 1228 CG HIS A 78 10.449 0.145 6.057 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.657 -0.101 6.688 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.469 0.135 7.016 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.420 -0.250 8.006 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.096 -0.107 8.228 1.00 0.00 N ATOM 0 H HIS A 78 8.921 2.612 4.393 1.00 0.00 H new ATOM 0 HA HIS A 78 11.784 1.943 4.462 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.206 0.288 4.332 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.775 -0.432 4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.412 0.287 6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.166 -0.451 8.761 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.635 -0.167 9.136 1.00 0.00 H new ATOM 1241 N LYS A 79 9.994 2.238 1.809 1.00 0.00 N ATOM 1242 CA LYS A 79 9.974 2.362 0.344 1.00 0.00 C ATOM 1243 C LYS A 79 9.639 3.802 -0.075 1.00 0.00 C ATOM 1244 O LYS A 79 8.710 4.007 -0.850 1.00 0.00 O ATOM 1245 CB LYS A 79 9.011 1.301 -0.243 1.00 0.00 C ATOM 1246 CG LYS A 79 9.616 -0.100 -0.421 1.00 0.00 C ATOM 1247 CD LYS A 79 10.501 -0.229 -1.674 1.00 0.00 C ATOM 1248 CE LYS A 79 11.877 0.438 -1.527 1.00 0.00 C ATOM 1249 NZ LYS A 79 12.882 -0.126 -2.468 1.00 0.00 N ATOM 0 H LYS A 79 9.167 2.653 2.238 1.00 0.00 H new ATOM 0 HA LYS A 79 10.963 2.161 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.140 1.224 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.655 1.652 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.208 -0.346 0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.810 -0.831 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.641 -1.286 -1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.981 0.214 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.779 1.509 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.231 0.314 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.794 0.355 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.997 -1.143 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.559 0.015 -3.446 1.00 0.00 H new ATOM 1263 N PRO A 80 10.394 4.814 0.394 1.00 0.00 N ATOM 1264 CA PRO A 80 10.101 6.228 0.130 1.00 0.00 C ATOM 1265 C PRO A 80 10.122 6.566 -1.373 1.00 0.00 C ATOM 1266 O PRO A 80 9.248 7.276 -1.869 1.00 0.00 O ATOM 1267 CB PRO A 80 11.159 7.008 0.920 1.00 0.00 C ATOM 1268 CG PRO A 80 12.331 6.031 1.021 1.00 0.00 C ATOM 1269 CD PRO A 80 11.653 4.667 1.113 1.00 0.00 C ATOM 0 HA PRO A 80 9.091 6.491 0.444 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.446 7.926 0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.792 7.296 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.984 6.096 0.151 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.947 6.233 1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.272 3.889 0.667 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.482 4.382 2.151 1.00 0.00 H new ATOM 1277 N ASP A 81 11.084 6.007 -2.115 1.00 0.00 N ATOM 1278 CA ASP A 81 11.222 6.186 -3.571 1.00 0.00 C ATOM 1279 C ASP A 81 10.028 5.637 -4.379 1.00 0.00 C ATOM 1280 O ASP A 81 9.626 6.236 -5.379 1.00 0.00 O ATOM 1281 CB ASP A 81 12.508 5.497 -4.052 1.00 0.00 C ATOM 1282 CG ASP A 81 13.775 6.133 -3.461 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.305 7.099 -4.060 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.251 5.650 -2.407 1.00 0.00 O ATOM 0 H ASP A 81 11.804 5.405 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 81 11.257 7.261 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.474 4.442 -3.780 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.556 5.544 -5.140 1.00 0.00 H new ATOM 1289 N VAL A 82 9.455 4.500 -3.964 1.00 0.00 N ATOM 1290 CA VAL A 82 8.255 3.911 -4.591 1.00 0.00 C ATOM 1291 C VAL A 82 6.967 4.544 -4.062 1.00 0.00 C ATOM 1292 O VAL A 82 6.043 4.794 -4.835 1.00 0.00 O ATOM 1293 CB VAL A 82 8.221 2.382 -4.428 1.00 0.00 C ATOM 1294 CG1 VAL A 82 6.962 1.795 -5.070 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.445 1.734 -5.088 1.00 0.00 C ATOM 0 H VAL A 82 9.810 3.956 -3.178 1.00 0.00 H new ATOM 0 HA VAL A 82 8.318 4.131 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 82 8.224 2.171 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.959 0.712 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.079 2.219 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.950 2.035 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.398 0.653 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.454 1.973 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.354 2.116 -4.623 1.00 0.00 H new ATOM 1305 N TRP A 83 6.910 4.878 -2.771 1.00 0.00 N ATOM 1306 CA TRP A 83 5.810 5.633 -2.166 1.00 0.00 C ATOM 1307 C TRP A 83 5.495 6.920 -2.938 1.00 0.00 C ATOM 1308 O TRP A 83 4.328 7.166 -3.232 1.00 0.00 O ATOM 1309 CB TRP A 83 6.141 5.946 -0.702 1.00 0.00 C ATOM 1310 CG TRP A 83 5.307 7.043 -0.120 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.729 8.305 0.118 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.878 7.040 0.163 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.670 9.073 0.562 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.499 8.349 0.589 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.862 6.067 0.068 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.177 8.678 0.907 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.525 6.392 0.361 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.188 7.691 0.775 1.00 0.00 C ATOM 0 H TRP A 83 7.640 4.627 -2.104 1.00 0.00 H new ATOM 0 HA TRP A 83 4.915 5.012 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.005 5.043 -0.107 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.193 6.222 -0.627 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.740 8.659 -0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.746 10.053 0.835 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.113 5.061 -0.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.923 9.671 1.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.755 5.640 0.267 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.158 7.933 0.994 1.00 0.00 H new ATOM 1329 N ALA A 84 6.508 7.686 -3.359 1.00 0.00 N ATOM 1330 CA ALA A 84 6.329 8.871 -4.204 1.00 0.00 C ATOM 1331 C ALA A 84 5.493 8.601 -5.476 1.00 0.00 C ATOM 1332 O ALA A 84 4.757 9.477 -5.924 1.00 0.00 O ATOM 1333 CB ALA A 84 7.716 9.418 -4.562 1.00 0.00 C ATOM 0 H ALA A 84 7.482 7.499 -3.121 1.00 0.00 H new ATOM 0 HA ALA A 84 5.757 9.608 -3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.607 10.301 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.248 9.686 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.280 8.656 -5.100 1.00 0.00 H new ATOM 1339 N GLN A 85 5.560 7.388 -6.033 1.00 0.00 N ATOM 1340 CA GLN A 85 4.794 6.961 -7.213 1.00 0.00 C ATOM 1341 C GLN A 85 3.332 6.634 -6.865 1.00 0.00 C ATOM 1342 O GLN A 85 2.429 6.942 -7.646 1.00 0.00 O ATOM 1343 CB GLN A 85 5.481 5.752 -7.882 1.00 0.00 C ATOM 1344 CG GLN A 85 7.001 5.967 -7.980 1.00 0.00 C ATOM 1345 CD GLN A 85 7.712 5.044 -8.966 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.232 4.739 -10.050 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.897 4.574 -8.635 1.00 0.00 N ATOM 0 H GLN A 85 6.165 6.653 -5.667 1.00 0.00 H new ATOM 0 HA GLN A 85 4.776 7.794 -7.916 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.274 4.848 -7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.067 5.599 -8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.190 7.001 -8.269 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.439 5.827 -6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.310 4.819 -7.735 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.402 3.965 -9.279 1.00 0.00 H new ATOM 1356 N LEU A 86 3.093 6.078 -5.668 1.00 0.00 N ATOM 1357 CA LEU A 86 1.749 5.894 -5.093 1.00 0.00 C ATOM 1358 C LEU A 86 1.075 7.258 -4.913 1.00 0.00 C ATOM 1359 O LEU A 86 0.109 7.564 -5.614 1.00 0.00 O ATOM 1360 CB LEU A 86 1.849 5.138 -3.740 1.00 0.00 C ATOM 1361 CG LEU A 86 0.572 4.569 -3.087 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.424 5.644 -2.648 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.142 3.561 -3.981 1.00 0.00 C ATOM 0 H LEU A 86 3.839 5.738 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 86 1.141 5.295 -5.771 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.541 4.307 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.308 5.816 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 86 0.933 4.061 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.296 5.170 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.048 6.302 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.735 6.228 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.033 3.192 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.430 4.043 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.526 2.726 -4.194 1.00 0.00 H new ATOM 1375 N LYS A 87 1.627 8.116 -4.040 1.00 0.00 N ATOM 1376 CA LYS A 87 1.020 9.407 -3.676 1.00 0.00 C ATOM 1377 C LYS A 87 0.858 10.362 -4.860 1.00 0.00 C ATOM 1378 O LYS A 87 -0.065 11.161 -4.868 1.00 0.00 O ATOM 1379 CB LYS A 87 1.751 10.104 -2.517 1.00 0.00 C ATOM 1380 CG LYS A 87 3.279 10.113 -2.628 1.00 0.00 C ATOM 1381 CD LYS A 87 3.933 11.279 -1.890 1.00 0.00 C ATOM 1382 CE LYS A 87 3.913 12.542 -2.755 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.354 13.721 -1.973 1.00 0.00 N ATOM 0 H LYS A 87 2.511 7.933 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 87 0.018 9.150 -3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.400 11.134 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.472 9.614 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.670 9.176 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.559 10.156 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.407 11.465 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.961 11.023 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.565 12.408 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.907 12.710 -3.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.112 14.591 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.876 13.723 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.383 13.678 -1.831 1.00 0.00 H new ATOM 1397 N ALA A 88 1.714 10.283 -5.873 1.00 0.00 N ATOM 1398 CA ALA A 88 1.625 11.146 -7.057 1.00 0.00 C ATOM 1399 C ALA A 88 0.366 10.864 -7.892 1.00 0.00 C ATOM 1400 O ALA A 88 -0.339 11.795 -8.290 1.00 0.00 O ATOM 1401 CB ALA A 88 2.880 10.967 -7.912 1.00 0.00 C ATOM 0 H ALA A 88 2.490 9.622 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 88 1.553 12.178 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.815 11.607 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.760 11.240 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.961 9.926 -8.226 1.00 0.00 H new ATOM 1407 N LYS A 89 0.063 9.581 -8.135 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.151 9.152 -8.847 1.00 0.00 C ATOM 1409 C LYS A 89 -2.394 9.227 -7.952 1.00 0.00 C ATOM 1410 O LYS A 89 -3.475 9.579 -8.424 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.914 7.737 -9.405 1.00 0.00 C ATOM 1412 CG LYS A 89 -2.001 7.323 -10.408 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.644 5.994 -11.093 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.708 5.550 -12.108 1.00 0.00 C ATOM 1415 NZ LYS A 89 -2.768 6.438 -13.301 1.00 0.00 N ATOM 0 H LYS A 89 0.657 8.806 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.349 9.832 -9.676 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.061 7.698 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.889 7.023 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.957 7.225 -9.893 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.122 8.102 -11.160 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.684 6.096 -11.599 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.524 5.220 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.495 4.530 -12.429 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.684 5.534 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.490 6.084 -13.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.015 7.403 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.842 6.448 -13.774 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.237 8.912 -6.664 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.334 8.821 -5.693 1.00 0.00 C ATOM 1431 C TYR A 90 -3.711 10.172 -5.058 1.00 0.00 C ATOM 1432 O TYR A 90 -4.817 10.310 -4.537 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.975 7.783 -4.611 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.195 6.321 -4.994 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.122 5.865 -6.331 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.440 5.393 -3.967 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.280 4.499 -6.634 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.568 4.022 -4.264 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.498 3.570 -5.597 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.634 2.245 -5.879 1.00 0.00 O ATOM 0 H TYR A 90 -1.324 8.708 -6.257 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.221 8.500 -6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.927 7.915 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.563 7.998 -3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.943 6.572 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.530 5.733 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.234 4.164 -7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.721 3.312 -3.464 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.777 1.747 -5.047 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.828 11.171 -5.122 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.008 12.503 -4.538 1.00 0.00 C ATOM 1452 C ASP A 91 -2.232 13.573 -5.349 1.00 0.00 C ATOM 1453 O ASP A 91 -1.137 13.997 -4.956 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.595 12.497 -3.058 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.021 13.803 -2.348 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.522 14.742 -3.017 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.802 13.926 -1.120 1.00 0.00 O ATOM 0 H ASP A 91 -1.933 11.071 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.064 12.767 -4.587 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.049 11.643 -2.555 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.515 12.375 -2.981 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.761 14.008 -6.508 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.058 14.896 -7.441 1.00 0.00 C ATOM 1464 C PRO A 92 -1.793 16.325 -6.917 1.00 0.00 C ATOM 1465 O PRO A 92 -1.096 17.090 -7.586 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.910 14.897 -8.717 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.315 14.598 -8.201 1.00 0.00 C ATOM 1468 CD PRO A 92 -4.053 13.624 -7.056 1.00 0.00 C ATOM 0 HA PRO A 92 -1.048 14.521 -7.609 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.866 15.858 -9.230 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.573 14.141 -9.427 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.820 15.500 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.944 14.155 -8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.835 13.688 -6.299 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.038 12.594 -7.412 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.304 16.693 -5.734 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.027 17.979 -5.068 1.00 0.00 C ATOM 1478 C ASP A 93 -1.262 17.832 -3.735 1.00 0.00 C ATOM 1479 O ASP A 93 -0.551 18.753 -3.326 1.00 0.00 O ATOM 1480 CB ASP A 93 -3.347 18.728 -4.844 1.00 0.00 C ATOM 1481 CG ASP A 93 -3.114 20.233 -4.610 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -2.777 20.946 -5.586 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -3.285 20.720 -3.466 1.00 0.00 O ATOM 0 H ASP A 93 -2.935 16.095 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.372 18.547 -5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.995 18.590 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.866 18.302 -3.985 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.380 16.680 -3.066 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.778 16.400 -1.758 1.00 0.00 C ATOM 1490 C GLY A 94 -1.703 16.706 -0.569 1.00 0.00 C ATOM 1491 O GLY A 94 -1.233 16.747 0.569 1.00 0.00 O ATOM 0 H GLY A 94 -1.914 15.892 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.488 15.350 -1.720 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.135 16.987 -1.656 1.00 0.00 H new ATOM 1495 N THR A 95 -2.997 16.952 -0.811 1.00 0.00 N ATOM 1496 CA THR A 95 -3.982 17.437 0.179 1.00 0.00 C ATOM 1497 C THR A 95 -4.105 16.550 1.424 1.00 0.00 C ATOM 1498 O THR A 95 -4.383 17.062 2.512 1.00 0.00 O ATOM 1499 CB THR A 95 -5.376 17.586 -0.465 1.00 0.00 C ATOM 1500 OG1 THR A 95 -5.279 18.271 -1.697 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.353 18.392 0.398 1.00 0.00 C ATOM 0 H THR A 95 -3.407 16.815 -1.735 1.00 0.00 H new ATOM 0 HA THR A 95 -3.603 18.405 0.508 1.00 0.00 H new ATOM 0 HB THR A 95 -5.749 16.569 -0.586 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.171 18.357 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.315 18.461 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.485 17.895 1.359 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.955 19.394 0.559 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.861 15.241 1.299 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.948 14.276 2.403 1.00 0.00 C ATOM 1511 C TYR A 96 -2.722 13.362 2.511 1.00 0.00 C ATOM 1512 O TYR A 96 -2.391 12.961 3.627 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.261 13.478 2.338 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.726 13.161 0.935 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.111 12.128 0.207 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.706 13.971 0.330 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.469 11.914 -1.134 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -7.060 13.761 -1.013 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.441 12.731 -1.754 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.771 12.531 -3.059 1.00 0.00 O ATOM 0 H TYR A 96 -3.593 14.814 0.412 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.955 14.859 3.324 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.133 12.544 2.886 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -6.041 14.042 2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.367 11.502 0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.186 14.754 0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.998 11.120 -1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.806 14.388 -1.479 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.155 11.880 -3.456 1.00 0.00 H new ATOM 1530 N SER A 97 -1.975 13.095 1.432 1.00 0.00 N ATOM 1531 CA SER A 97 -0.721 12.324 1.518 1.00 0.00 C ATOM 1532 C SER A 97 0.326 12.994 2.422 1.00 0.00 C ATOM 1533 O SER A 97 1.040 12.316 3.166 1.00 0.00 O ATOM 1534 CB SER A 97 -0.127 12.063 0.131 1.00 0.00 C ATOM 1535 OG SER A 97 -0.916 11.118 -0.572 1.00 0.00 O ATOM 0 H SER A 97 -2.214 13.400 0.488 1.00 0.00 H new ATOM 0 HA SER A 97 -0.986 11.370 1.973 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.076 12.995 -0.432 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.894 11.694 0.229 1.00 0.00 H new ATOM 0 HG SER A 97 -0.421 10.276 -0.656 1.00 0.00 H new ATOM 1541 N LYS A 98 0.359 14.336 2.443 1.00 0.00 N ATOM 1542 CA LYS A 98 1.231 15.139 3.319 1.00 0.00 C ATOM 1543 C LYS A 98 1.011 14.900 4.820 1.00 0.00 C ATOM 1544 O LYS A 98 1.935 15.139 5.594 1.00 0.00 O ATOM 1545 CB LYS A 98 1.034 16.635 3.002 1.00 0.00 C ATOM 1546 CG LYS A 98 1.717 17.079 1.694 1.00 0.00 C ATOM 1547 CD LYS A 98 3.202 17.445 1.859 1.00 0.00 C ATOM 1548 CE LYS A 98 3.355 18.768 2.630 1.00 0.00 C ATOM 1549 NZ LYS A 98 4.770 19.218 2.702 1.00 0.00 N ATOM 0 H LYS A 98 -0.232 14.907 1.839 1.00 0.00 H new ATOM 0 HA LYS A 98 2.252 14.820 3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.033 16.847 2.936 1.00 0.00 H new ATOM 0 HB3 LYS A 98 1.427 17.228 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.630 16.278 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.183 17.940 1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.721 16.647 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.671 17.533 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.755 19.539 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.963 18.645 3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.823 20.112 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.340 18.495 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 5.138 19.362 1.740 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.175 14.435 5.241 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.574 14.294 6.661 1.00 0.00 C ATOM 1565 C LYS A 99 0.258 13.271 7.454 1.00 0.00 C ATOM 1566 O LYS A 99 0.234 13.307 8.686 1.00 0.00 O ATOM 1567 CB LYS A 99 -2.073 13.941 6.757 1.00 0.00 C ATOM 1568 CG LYS A 99 -3.043 14.996 6.183 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.537 16.042 7.196 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.411 16.898 7.790 1.00 0.00 C ATOM 1571 NZ LYS A 99 -2.947 17.966 8.675 1.00 0.00 N ATOM 0 H LYS A 99 -0.905 14.138 4.593 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.378 15.262 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.240 12.998 6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.323 13.775 7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.549 15.513 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.908 14.482 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.260 16.695 6.708 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.061 15.533 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.730 16.263 8.356 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -1.831 17.349 6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.159 18.526 9.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.578 18.586 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.479 17.534 9.457 1.00 0.00 H new ATOM 1585 N TYR A 100 0.968 12.372 6.770 1.00 0.00 N ATOM 1586 CA TYR A 100 1.812 11.329 7.370 1.00 0.00 C ATOM 1587 C TYR A 100 3.158 11.136 6.645 1.00 0.00 C ATOM 1588 O TYR A 100 4.090 10.601 7.248 1.00 0.00 O ATOM 1589 CB TYR A 100 1.009 10.022 7.460 1.00 0.00 C ATOM 1590 CG TYR A 100 0.188 9.761 6.220 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.775 9.134 5.110 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.125 10.260 6.143 1.00 0.00 C ATOM 1593 CE1 TYR A 100 0.042 9.010 3.922 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.850 10.151 4.947 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.274 9.512 3.829 1.00 0.00 C ATOM 1596 OH TYR A 100 -1.997 9.316 2.692 1.00 0.00 O ATOM 0 H TYR A 100 0.974 12.346 5.750 1.00 0.00 H new ATOM 0 HA TYR A 100 2.085 11.655 8.374 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.694 9.189 7.620 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.349 10.064 8.327 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.783 8.750 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.576 10.728 7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.489 8.524 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.849 10.556 4.882 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.882 9.724 2.793 1.00 0.00 H new ATOM 1606 N GLU A 101 3.291 11.591 5.392 1.00 0.00 N ATOM 1607 CA GLU A 101 4.576 11.738 4.686 1.00 0.00 C ATOM 1608 C GLU A 101 5.550 12.675 5.431 1.00 0.00 C ATOM 1609 O GLU A 101 6.751 12.403 5.520 1.00 0.00 O ATOM 1610 CB GLU A 101 4.277 12.277 3.275 1.00 0.00 C ATOM 1611 CG GLU A 101 5.508 12.495 2.379 1.00 0.00 C ATOM 1612 CD GLU A 101 5.163 13.165 1.035 1.00 0.00 C ATOM 1613 OE1 GLU A 101 3.983 13.478 0.753 1.00 0.00 O ATOM 1614 OE2 GLU A 101 6.090 13.405 0.225 1.00 0.00 O ATOM 0 H GLU A 101 2.491 11.874 4.826 1.00 0.00 H new ATOM 0 HA GLU A 101 5.069 10.767 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.602 11.583 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.746 13.224 3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.233 13.112 2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.986 11.534 2.188 1.00 0.00 H new ATOM 1621 N ASP A 102 5.021 13.764 6.000 1.00 0.00 N ATOM 1622 CA ASP A 102 5.765 14.788 6.745 1.00 0.00 C ATOM 1623 C ASP A 102 6.555 14.263 7.959 1.00 0.00 C ATOM 1624 O ASP A 102 7.519 14.909 8.382 1.00 0.00 O ATOM 1625 CB ASP A 102 4.828 15.939 7.153 1.00 0.00 C ATOM 1626 CG ASP A 102 3.902 15.625 8.347 1.00 0.00 C ATOM 1627 OD1 ASP A 102 3.431 14.472 8.490 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.652 16.549 9.160 1.00 0.00 O ATOM 0 H ASP A 102 4.022 13.965 5.953 1.00 0.00 H new ATOM 0 HA ASP A 102 6.526 15.154 6.056 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.433 16.812 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 102 4.213 16.210 6.295 1.00 0.00 H new ATOM 1633 N ARG A 103 6.174 13.104 8.520 1.00 0.00 N ATOM 1634 CA ARG A 103 6.885 12.459 9.635 1.00 0.00 C ATOM 1635 C ARG A 103 8.331 12.101 9.284 1.00 0.00 C ATOM 1636 O ARG A 103 9.187 12.123 10.169 1.00 0.00 O ATOM 1637 CB ARG A 103 6.107 11.210 10.097 1.00 0.00 C ATOM 1638 CG ARG A 103 6.544 10.668 11.472 1.00 0.00 C ATOM 1639 CD ARG A 103 6.230 11.607 12.646 1.00 0.00 C ATOM 1640 NE ARG A 103 6.731 11.054 13.921 1.00 0.00 N ATOM 1641 CZ ARG A 103 6.125 10.200 14.730 1.00 0.00 C ATOM 1642 NH1 ARG A 103 4.923 9.751 14.503 1.00 0.00 N ATOM 1643 NH2 ARG A 103 6.731 9.773 15.801 1.00 0.00 N ATOM 0 H ARG A 103 5.354 12.583 8.208 1.00 0.00 H new ATOM 0 HA ARG A 103 6.936 13.178 10.452 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.045 11.450 10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.230 10.423 9.353 1.00 0.00 H new ATOM 0 HG2 ARG A 103 6.053 9.710 11.646 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.617 10.477 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.683 12.582 12.466 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.153 11.763 12.712 1.00 0.00 H new ATOM 0 HE ARG A 103 7.656 11.369 14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.412 10.057 13.675 1.00 0.00 H new ATOM 0 HH12 ARG A 103 4.493 9.093 15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.674 10.097 16.017 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.263 9.115 16.424 1.00 0.00 H new ATOM 1657 N GLU A 104 8.612 11.807 8.010 1.00 0.00 N ATOM 1658 CA GLU A 104 9.909 11.280 7.573 1.00 0.00 C ATOM 1659 C GLU A 104 10.612 12.216 6.579 1.00 0.00 C ATOM 1660 O GLU A 104 11.751 12.616 6.831 1.00 0.00 O ATOM 1661 CB GLU A 104 9.760 9.873 6.954 1.00 0.00 C ATOM 1662 CG GLU A 104 8.726 8.934 7.593 1.00 0.00 C ATOM 1663 CD GLU A 104 8.878 8.698 9.108 1.00 0.00 C ATOM 1664 OE1 GLU A 104 9.984 8.880 9.674 1.00 0.00 O ATOM 1665 OE2 GLU A 104 7.859 8.297 9.726 1.00 0.00 O ATOM 0 H GLU A 104 7.943 11.929 7.250 1.00 0.00 H new ATOM 0 HA GLU A 104 10.531 11.211 8.465 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.504 9.992 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.732 9.382 6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 104 7.731 9.339 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 104 8.778 7.970 7.088 1.00 0.00 H new ATOM 1672 N LYS A 105 9.938 12.580 5.470 1.00 0.00 N ATOM 1673 CA LYS A 105 10.497 13.336 4.323 1.00 0.00 C ATOM 1674 C LYS A 105 11.968 13.001 3.993 1.00 0.00 C ATOM 1675 O LYS A 105 12.810 13.873 3.779 1.00 0.00 O ATOM 1676 CB LYS A 105 10.206 14.845 4.501 1.00 0.00 C ATOM 1677 CG LYS A 105 8.843 15.272 3.929 1.00 0.00 C ATOM 1678 CD LYS A 105 8.776 15.122 2.397 1.00 0.00 C ATOM 1679 CE LYS A 105 7.666 15.994 1.802 1.00 0.00 C ATOM 1680 NZ LYS A 105 7.527 15.756 0.342 1.00 0.00 N ATOM 0 H LYS A 105 8.953 12.349 5.340 1.00 0.00 H new ATOM 0 HA LYS A 105 9.980 13.004 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 105 10.241 15.092 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.993 15.420 4.014 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.056 14.671 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.648 16.310 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 105 9.735 15.401 1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.599 14.078 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.721 15.777 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.888 17.046 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.880 16.461 -0.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 8.458 15.838 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.145 14.802 0.181 1.00 0.00 H new ATOM 1694 N GLU A 106 12.271 11.702 3.939 1.00 0.00 N ATOM 1695 CA GLU A 106 13.610 11.168 3.622 1.00 0.00 C ATOM 1696 C GLU A 106 14.088 11.490 2.188 1.00 0.00 C ATOM 1697 O GLU A 106 15.291 11.476 1.916 1.00 0.00 O ATOM 1698 CB GLU A 106 13.619 9.643 3.838 1.00 0.00 C ATOM 1699 CG GLU A 106 13.572 9.231 5.316 1.00 0.00 C ATOM 1700 CD GLU A 106 14.928 9.452 6.018 1.00 0.00 C ATOM 1701 OE1 GLU A 106 15.783 8.533 5.997 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.153 10.542 6.598 1.00 0.00 O ATOM 0 H GLU A 106 11.582 10.971 4.117 1.00 0.00 H new ATOM 0 HA GLU A 106 14.308 11.663 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.765 9.206 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 106 14.516 9.225 3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.800 9.805 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 106 13.291 8.181 5.391 1.00 0.00 H new ATOM 1709 N LEU A 107 13.160 11.789 1.270 1.00 0.00 N ATOM 1710 CA LEU A 107 13.450 12.184 -0.113 1.00 0.00 C ATOM 1711 C LEU A 107 14.124 13.568 -0.191 1.00 0.00 C ATOM 1712 O LEU A 107 13.689 14.528 0.456 1.00 0.00 O ATOM 1713 CB LEU A 107 12.137 12.183 -0.923 1.00 0.00 C ATOM 1714 CG LEU A 107 11.445 10.810 -1.036 1.00 0.00 C ATOM 1715 CD1 LEU A 107 10.100 10.965 -1.741 1.00 0.00 C ATOM 1716 CD2 LEU A 107 12.286 9.800 -1.819 1.00 0.00 C ATOM 0 H LEU A 107 12.161 11.762 1.475 1.00 0.00 H new ATOM 0 HA LEU A 107 14.151 11.464 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.443 12.887 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 107 12.346 12.552 -1.927 1.00 0.00 H new ATOM 0 HG LEU A 107 11.313 10.436 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 107 9.615 9.992 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 107 9.465 11.642 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 107 10.258 11.372 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 107 11.757 8.849 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 107 12.459 10.175 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 107 13.242 9.656 -1.317 1.00 0.00 H new ATOM 1728 N HIS A 108 15.163 13.682 -1.030 1.00 0.00 N ATOM 1729 CA HIS A 108 15.834 14.955 -1.345 1.00 0.00 C ATOM 1730 C HIS A 108 14.880 15.952 -2.030 1.00 0.00 C ATOM 1731 O HIS A 108 13.968 15.554 -2.764 1.00 0.00 O ATOM 1732 CB HIS A 108 17.080 14.687 -2.208 1.00 0.00 C ATOM 1733 CG HIS A 108 18.101 13.803 -1.530 1.00 0.00 C ATOM 1734 ND1 HIS A 108 18.866 14.137 -0.425 1.00 0.00 N ATOM 1735 CD2 HIS A 108 18.431 12.525 -1.892 1.00 0.00 C ATOM 1736 CE1 HIS A 108 19.646 13.079 -0.120 1.00 0.00 C ATOM 1737 NE2 HIS A 108 19.397 12.088 -1.001 1.00 0.00 N ATOM 0 H HIS A 108 15.568 12.882 -1.517 1.00 0.00 H new ATOM 0 HA HIS A 108 16.148 15.417 -0.409 1.00 0.00 H new ATOM 0 HB2 HIS A 108 16.771 14.221 -3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 108 17.547 15.638 -2.464 1.00 0.00 H new ATOM 0 HD2 HIS A 108 18.017 11.964 -2.716 1.00 0.00 H new ATOM 0 HE1 HIS A 108 20.353 13.033 0.695 1.00 0.00 H new ATOM 0 HE2 HIS A 108 19.845 11.172 -1.009 1.00 0.00 H new ATOM 1746 N GLN A 109 15.101 17.248 -1.786 1.00 0.00 N ATOM 1747 CA GLN A 109 14.217 18.366 -2.169 1.00 0.00 C ATOM 1748 C GLN A 109 14.975 19.699 -2.320 1.00 0.00 C ATOM 1749 O GLN A 109 16.025 19.884 -1.662 1.00 0.00 O ATOM 1750 CB GLN A 109 13.064 18.469 -1.147 1.00 0.00 C ATOM 1751 CG GLN A 109 13.518 18.729 0.302 1.00 0.00 C ATOM 1752 CD GLN A 109 12.363 18.602 1.297 1.00 0.00 C ATOM 1753 OE1 GLN A 109 11.647 19.551 1.595 1.00 0.00 O ATOM 1754 NE2 GLN A 109 12.128 17.429 1.852 1.00 0.00 N ATOM 1755 OXT GLN A 109 14.517 20.551 -3.116 1.00 0.00 O ATOM 0 H GLN A 109 15.937 17.566 -1.295 1.00 0.00 H new ATOM 0 HA GLN A 109 13.804 18.157 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 109 12.393 19.272 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.488 17.544 -1.174 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.304 18.023 0.568 1.00 0.00 H new ATOM 0 HG3 GLN A 109 13.949 19.728 0.373 1.00 0.00 H new ATOM 0 HE21 GLN A 109 12.713 16.627 1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.361 17.324 2.516 1.00 0.00 H new TER 1764 GLN A 109