USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=23 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 28 GLN : amide:sc= 0.846 K(o=2.5,f=0.89) USER MOD Set 1.2: A 37 ASN : amide:sc= 1.64 K(o=2.5,f=-0.095) USER MOD Single : A 1 GLU N :NH3+ -166:sc= 0.315 (180deg=0.157) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 13:sc= 1.31 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc=0.000321 (180deg=0) USER MOD Single : A 8 TYR OH : rot -163:sc= 0.0653 USER MOD Single : A 10 ASN : amide:sc=-0.00251 X(o=-0.0025,f=-0.0025) USER MOD Single : A 12 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 19 ASN : amide:sc= 0.0174 K(o=0.017,f=-8.7!) USER MOD Single : A 24 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -176:sc= 0.644 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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= 0.976 K(o=0.98,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.19) USER MOD Single : A 61 ASN : amide:sc= 0.177 K(o=0.18,f=-5.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.037 K(o=-0.037,f=-0.58) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.15) USER MOD Single : A 70 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.115) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.652 K(o=0.65,f=-4.8!) USER MOD Single : A 77 ASN : amide:sc= 0.104 K(o=0.1,f=-3.2!) 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=-0.36) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= 1.02 (180deg=0.846) USER MOD Single : A 89 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0095) USER MOD Single : A 90 TYR OH : rot -156:sc= 0.187 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -12:sc= 0.00222 USER MOD Single : A 97 SER OG : rot 180: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= -0.136 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -20.561 -4.931 1.325 1.00 0.00 N ATOM 2 CA GLU A 1 -19.627 -4.738 2.466 1.00 0.00 C ATOM 3 C GLU A 1 -18.822 -6.024 2.721 1.00 0.00 C ATOM 4 O GLU A 1 -19.149 -6.827 3.596 1.00 0.00 O ATOM 5 CB GLU A 1 -20.351 -4.235 3.740 1.00 0.00 C ATOM 6 CG GLU A 1 -21.400 -3.124 3.548 1.00 0.00 C ATOM 7 CD GLU A 1 -20.869 -1.890 2.801 1.00 0.00 C ATOM 8 OE1 GLU A 1 -20.594 -2.021 1.584 1.00 0.00 O ATOM 9 OE2 GLU A 1 -20.767 -0.798 3.410 1.00 0.00 O ATOM 0 H1 GLU A 1 -20.921 -4.007 1.011 1.00 0.00 H new ATOM 0 H2 GLU A 1 -20.059 -5.392 0.540 1.00 0.00 H new ATOM 0 H3 GLU A 1 -21.357 -5.529 1.625 1.00 0.00 H new ATOM 0 HA GLU A 1 -18.924 -3.950 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -20.841 -5.087 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -19.597 -3.874 4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -22.250 -3.531 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -21.770 -2.814 4.525 1.00 0.00 H new ATOM 18 N GLU A 2 -17.792 -6.279 1.907 1.00 0.00 N ATOM 19 CA GLU A 2 -17.026 -7.540 1.928 1.00 0.00 C ATOM 20 C GLU A 2 -16.019 -7.610 3.097 1.00 0.00 C ATOM 21 O GLU A 2 -15.330 -6.629 3.404 1.00 0.00 O ATOM 22 CB GLU A 2 -16.333 -7.711 0.565 1.00 0.00 C ATOM 23 CG GLU A 2 -15.624 -9.061 0.404 1.00 0.00 C ATOM 24 CD GLU A 2 -15.300 -9.358 -1.076 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.624 -8.539 -1.745 1.00 0.00 O ATOM 26 OE2 GLU A 2 -15.742 -10.414 -1.593 1.00 0.00 O ATOM 0 H GLU A 2 -17.460 -5.614 1.208 1.00 0.00 H new ATOM 0 HA GLU A 2 -17.716 -8.366 2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.074 -7.602 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.606 -6.910 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.702 -9.061 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.254 -9.854 0.806 1.00 0.00 H new ATOM 33 N LYS A 3 -15.923 -8.781 3.746 1.00 0.00 N ATOM 34 CA LYS A 3 -15.003 -9.048 4.869 1.00 0.00 C ATOM 35 C LYS A 3 -14.657 -10.534 5.031 1.00 0.00 C ATOM 36 O LYS A 3 -15.526 -11.399 4.895 1.00 0.00 O ATOM 37 CB LYS A 3 -15.577 -8.450 6.157 1.00 0.00 C ATOM 38 CG LYS A 3 -16.879 -9.087 6.662 1.00 0.00 C ATOM 39 CD LYS A 3 -17.360 -8.328 7.901 1.00 0.00 C ATOM 40 CE LYS A 3 -18.070 -7.014 7.541 1.00 0.00 C ATOM 41 NZ LYS A 3 -18.591 -6.327 8.754 1.00 0.00 N ATOM 0 H LYS A 3 -16.495 -9.589 3.501 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.055 -8.561 4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -14.825 -8.533 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -15.753 -7.386 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.640 -9.055 5.882 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.715 -10.137 6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.040 -8.961 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.508 -8.113 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.376 -6.356 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.893 -7.219 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.064 -5.444 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.271 -6.947 9.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -17.802 -6.110 9.396 1.00 0.00 H new ATOM 55 N TYR A 4 -13.386 -10.814 5.325 1.00 0.00 N ATOM 56 CA TYR A 4 -12.821 -12.133 5.634 1.00 0.00 C ATOM 57 C TYR A 4 -11.431 -11.987 6.295 1.00 0.00 C ATOM 58 O TYR A 4 -10.832 -10.906 6.282 1.00 0.00 O ATOM 59 CB TYR A 4 -12.754 -13.001 4.362 1.00 0.00 C ATOM 60 CG TYR A 4 -11.906 -12.471 3.216 1.00 0.00 C ATOM 61 CD1 TYR A 4 -12.395 -11.447 2.380 1.00 0.00 C ATOM 62 CD2 TYR A 4 -10.641 -13.036 2.957 1.00 0.00 C ATOM 63 CE1 TYR A 4 -11.607 -10.957 1.321 1.00 0.00 C ATOM 64 CE2 TYR A 4 -9.855 -12.559 1.890 1.00 0.00 C ATOM 65 CZ TYR A 4 -10.330 -11.511 1.074 1.00 0.00 C ATOM 66 OH TYR A 4 -9.558 -11.052 0.052 1.00 0.00 O ATOM 0 H TYR A 4 -12.678 -10.081 5.356 1.00 0.00 H new ATOM 0 HA TYR A 4 -13.474 -12.637 6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.373 -13.984 4.641 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -13.770 -13.145 3.995 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -13.379 -11.036 2.553 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.273 -13.838 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -11.978 -10.157 0.697 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.887 -12.996 1.696 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.930 -10.211 -0.286 1.00 0.00 H new ATOM 76 N THR A 5 -10.922 -13.061 6.905 1.00 0.00 N ATOM 77 CA THR A 5 -9.613 -13.113 7.590 1.00 0.00 C ATOM 78 C THR A 5 -8.422 -13.198 6.619 1.00 0.00 C ATOM 79 O THR A 5 -8.566 -13.588 5.459 1.00 0.00 O ATOM 80 CB THR A 5 -9.578 -14.304 8.568 1.00 0.00 C ATOM 81 OG1 THR A 5 -10.069 -15.476 7.948 1.00 0.00 O ATOM 82 CG2 THR A 5 -10.454 -14.037 9.794 1.00 0.00 C ATOM 0 H THR A 5 -11.420 -13.950 6.941 1.00 0.00 H new ATOM 0 HA THR A 5 -9.508 -12.175 8.134 1.00 0.00 H new ATOM 0 HB THR A 5 -8.538 -14.434 8.868 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.037 -16.221 8.584 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.410 -14.894 10.466 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.092 -13.149 10.313 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.485 -13.877 9.477 1.00 0.00 H new ATOM 90 N THR A 6 -7.216 -12.854 7.094 1.00 0.00 N ATOM 91 CA THR A 6 -5.992 -12.710 6.272 1.00 0.00 C ATOM 92 C THR A 6 -4.939 -13.743 6.677 1.00 0.00 C ATOM 93 O THR A 6 -3.993 -13.442 7.406 1.00 0.00 O ATOM 94 CB THR A 6 -5.439 -11.268 6.330 1.00 0.00 C ATOM 95 OG1 THR A 6 -6.435 -10.354 5.917 1.00 0.00 O ATOM 96 CG2 THR A 6 -4.233 -11.023 5.416 1.00 0.00 C ATOM 0 H THR A 6 -7.054 -12.662 8.083 1.00 0.00 H new ATOM 0 HA THR A 6 -6.259 -12.905 5.233 1.00 0.00 H new ATOM 0 HB THR A 6 -5.131 -11.126 7.366 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.079 -9.442 5.958 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.906 -9.988 5.515 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.419 -11.690 5.701 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.515 -11.216 4.381 1.00 0.00 H new ATOM 104 N LYS A 7 -5.137 -14.991 6.236 1.00 0.00 N ATOM 105 CA LYS A 7 -4.229 -16.124 6.463 1.00 0.00 C ATOM 106 C LYS A 7 -4.316 -17.160 5.338 1.00 0.00 C ATOM 107 O LYS A 7 -5.336 -17.827 5.167 1.00 0.00 O ATOM 108 CB LYS A 7 -4.441 -16.749 7.862 1.00 0.00 C ATOM 109 CG LYS A 7 -5.847 -16.685 8.506 1.00 0.00 C ATOM 110 CD LYS A 7 -7.008 -17.290 7.703 1.00 0.00 C ATOM 111 CE LYS A 7 -6.862 -18.807 7.527 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.752 -19.311 6.451 1.00 0.00 N ATOM 0 H LYS A 7 -5.961 -15.250 5.693 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.211 -15.736 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.155 -17.799 7.800 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.743 -16.268 8.547 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.802 -17.191 9.470 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.081 -15.639 8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.949 -17.073 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.056 -16.815 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.826 -19.050 7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.100 -19.309 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.814 -20.348 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.701 -18.900 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.365 -19.039 5.525 1.00 0.00 H new ATOM 126 N TYR A 8 -3.231 -17.303 4.581 1.00 0.00 N ATOM 127 CA TYR A 8 -3.097 -18.265 3.478 1.00 0.00 C ATOM 128 C TYR A 8 -1.661 -18.801 3.435 1.00 0.00 C ATOM 129 O TYR A 8 -0.715 -18.017 3.396 1.00 0.00 O ATOM 130 CB TYR A 8 -3.473 -17.584 2.150 1.00 0.00 C ATOM 131 CG TYR A 8 -4.928 -17.154 2.057 1.00 0.00 C ATOM 132 CD1 TYR A 8 -5.906 -18.080 1.644 1.00 0.00 C ATOM 133 CD2 TYR A 8 -5.309 -15.844 2.414 1.00 0.00 C ATOM 134 CE1 TYR A 8 -7.261 -17.701 1.585 1.00 0.00 C ATOM 135 CE2 TYR A 8 -6.665 -15.463 2.363 1.00 0.00 C ATOM 136 CZ TYR A 8 -7.645 -16.390 1.946 1.00 0.00 C ATOM 137 OH TYR A 8 -8.953 -16.018 1.895 1.00 0.00 O ATOM 0 H TYR A 8 -2.393 -16.738 4.718 1.00 0.00 H new ATOM 0 HA TYR A 8 -3.773 -19.106 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.838 -16.709 2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.256 -18.268 1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.616 -19.084 1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.560 -15.131 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.007 -18.413 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.955 -14.461 2.643 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.015 -15.040 1.903 1.00 0.00 H new ATOM 147 N ASP A 9 -1.496 -20.129 3.474 1.00 0.00 N ATOM 148 CA ASP A 9 -0.203 -20.840 3.542 1.00 0.00 C ATOM 149 C ASP A 9 0.807 -20.237 4.556 1.00 0.00 C ATOM 150 O ASP A 9 1.995 -20.076 4.268 1.00 0.00 O ATOM 151 CB ASP A 9 0.355 -21.016 2.116 1.00 0.00 C ATOM 152 CG ASP A 9 1.523 -22.019 2.039 1.00 0.00 C ATOM 153 OD1 ASP A 9 1.460 -23.086 2.698 1.00 0.00 O ATOM 154 OD2 ASP A 9 2.485 -21.775 1.270 1.00 0.00 O ATOM 0 H ASP A 9 -2.290 -20.769 3.459 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.383 -21.831 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.447 -21.351 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.690 -20.049 1.742 1.00 0.00 H new ATOM 159 N ASN A 10 0.312 -19.877 5.750 1.00 0.00 N ATOM 160 CA ASN A 10 1.038 -19.161 6.811 1.00 0.00 C ATOM 161 C ASN A 10 1.702 -17.851 6.347 1.00 0.00 C ATOM 162 O ASN A 10 2.915 -17.652 6.450 1.00 0.00 O ATOM 163 CB ASN A 10 1.943 -20.149 7.581 1.00 0.00 C ATOM 164 CG ASN A 10 2.567 -19.551 8.835 1.00 0.00 C ATOM 165 OD1 ASN A 10 3.776 -19.403 8.956 1.00 0.00 O ATOM 166 ND2 ASN A 10 1.772 -19.203 9.824 1.00 0.00 N ATOM 0 H ASN A 10 -0.650 -20.087 6.015 1.00 0.00 H new ATOM 0 HA ASN A 10 0.316 -18.781 7.534 1.00 0.00 H new ATOM 0 HB2 ASN A 10 1.357 -21.025 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 10 2.737 -20.494 6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 10 2.165 -18.814 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 10 0.763 -19.322 9.733 1.00 0.00 H new ATOM 173 N VAL A 11 0.855 -16.930 5.875 1.00 0.00 N ATOM 174 CA VAL A 11 1.216 -15.554 5.501 1.00 0.00 C ATOM 175 C VAL A 11 0.135 -14.591 5.992 1.00 0.00 C ATOM 176 O VAL A 11 -1.054 -14.885 5.888 1.00 0.00 O ATOM 177 CB VAL A 11 1.396 -15.407 3.973 1.00 0.00 C ATOM 178 CG1 VAL A 11 1.990 -14.035 3.656 1.00 0.00 C ATOM 179 CG2 VAL A 11 2.339 -16.453 3.368 1.00 0.00 C ATOM 0 H VAL A 11 -0.136 -17.127 5.737 1.00 0.00 H new ATOM 0 HA VAL A 11 2.169 -15.314 5.972 1.00 0.00 H new ATOM 0 HB VAL A 11 0.404 -15.541 3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.116 -13.933 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.319 -13.256 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.959 -13.936 4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.420 -16.292 2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.325 -16.361 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.944 -17.451 3.556 1.00 0.00 H new ATOM 189 N ASN A 12 0.560 -13.448 6.533 1.00 0.00 N ATOM 190 CA ASN A 12 -0.269 -12.363 7.067 1.00 0.00 C ATOM 191 C ASN A 12 0.304 -11.005 6.639 1.00 0.00 C ATOM 192 O ASN A 12 1.458 -10.901 6.209 1.00 0.00 O ATOM 193 CB ASN A 12 -0.262 -12.417 8.610 1.00 0.00 C ATOM 194 CG ASN A 12 -1.321 -13.305 9.244 1.00 0.00 C ATOM 195 OD1 ASN A 12 -2.201 -12.841 9.956 1.00 0.00 O ATOM 196 ND2 ASN A 12 -1.263 -14.600 9.054 1.00 0.00 N ATOM 0 H ASN A 12 1.555 -13.241 6.616 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.283 -12.481 6.684 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.719 -12.761 8.939 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.388 -11.404 8.991 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.948 -15.212 9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.533 -14.996 8.462 1.00 0.00 H new ATOM 203 N LEU A 13 -0.473 -9.945 6.874 1.00 0.00 N ATOM 204 CA LEU A 13 -0.029 -8.558 6.729 1.00 0.00 C ATOM 205 C LEU A 13 1.274 -8.248 7.470 1.00 0.00 C ATOM 206 O LEU A 13 2.139 -7.586 6.914 1.00 0.00 O ATOM 207 CB LEU A 13 -1.142 -7.611 7.209 1.00 0.00 C ATOM 208 CG LEU A 13 -1.814 -6.870 6.050 1.00 0.00 C ATOM 209 CD1 LEU A 13 -2.944 -6.005 6.618 1.00 0.00 C ATOM 210 CD2 LEU A 13 -0.835 -5.941 5.333 1.00 0.00 C ATOM 0 H LEU A 13 -1.444 -10.028 7.175 1.00 0.00 H new ATOM 0 HA LEU A 13 0.179 -8.405 5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.892 -8.183 7.755 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.723 -6.886 7.907 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.182 -7.611 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.435 -5.469 5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.670 -6.641 7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.532 -5.289 7.329 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.348 -5.432 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.452 -5.202 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.006 -6.525 4.933 1.00 0.00 H new ATOM 222 N ASP A 14 1.453 -8.761 8.687 1.00 0.00 N ATOM 223 CA ASP A 14 2.670 -8.535 9.476 1.00 0.00 C ATOM 224 C ASP A 14 3.965 -8.913 8.735 1.00 0.00 C ATOM 225 O ASP A 14 4.998 -8.280 8.945 1.00 0.00 O ATOM 226 CB ASP A 14 2.584 -9.324 10.786 1.00 0.00 C ATOM 227 CG ASP A 14 1.523 -8.754 11.737 1.00 0.00 C ATOM 228 OD1 ASP A 14 1.848 -7.837 12.529 1.00 0.00 O ATOM 229 OD2 ASP A 14 0.362 -9.226 11.697 1.00 0.00 O ATOM 0 H ASP A 14 0.761 -9.345 9.156 1.00 0.00 H new ATOM 0 HA ASP A 14 2.721 -7.463 9.668 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.350 -10.366 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.556 -9.313 11.280 1.00 0.00 H new ATOM 234 N GLU A 15 3.914 -9.904 7.838 1.00 0.00 N ATOM 235 CA GLU A 15 5.045 -10.286 6.987 1.00 0.00 C ATOM 236 C GLU A 15 5.213 -9.340 5.781 1.00 0.00 C ATOM 237 O GLU A 15 6.333 -9.071 5.371 1.00 0.00 O ATOM 238 CB GLU A 15 4.856 -11.740 6.518 1.00 0.00 C ATOM 239 CG GLU A 15 6.173 -12.424 6.127 1.00 0.00 C ATOM 240 CD GLU A 15 7.058 -12.727 7.352 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.799 -13.732 8.060 1.00 0.00 O ATOM 242 OE2 GLU A 15 8.026 -11.972 7.613 1.00 0.00 O ATOM 0 H GLU A 15 3.079 -10.468 7.681 1.00 0.00 H new ATOM 0 HA GLU A 15 5.958 -10.204 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.379 -12.313 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.179 -11.755 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.955 -13.353 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.721 -11.785 5.434 1.00 0.00 H new ATOM 249 N ILE A 16 4.121 -8.793 5.240 1.00 0.00 N ATOM 250 CA ILE A 16 4.093 -7.882 4.069 1.00 0.00 C ATOM 251 C ILE A 16 4.955 -6.641 4.307 1.00 0.00 C ATOM 252 O ILE A 16 5.944 -6.428 3.608 1.00 0.00 O ATOM 253 CB ILE A 16 2.628 -7.553 3.637 1.00 0.00 C ATOM 254 CG1 ILE A 16 1.913 -8.823 3.127 1.00 0.00 C ATOM 255 CG2 ILE A 16 2.510 -6.448 2.579 1.00 0.00 C ATOM 256 CD1 ILE A 16 2.589 -9.462 1.900 1.00 0.00 C ATOM 0 H ILE A 16 3.189 -8.974 5.614 1.00 0.00 H new ATOM 0 HA ILE A 16 4.543 -8.399 3.222 1.00 0.00 H new ATOM 0 HB ILE A 16 2.146 -7.174 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.874 -9.556 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.883 -8.573 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.459 -6.285 2.339 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.941 -5.525 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.046 -6.748 1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.032 -10.349 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.604 -8.746 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.611 -9.744 2.153 1.00 0.00 H new ATOM 268 N LEU A 17 4.663 -5.871 5.353 1.00 0.00 N ATOM 269 CA LEU A 17 5.437 -4.673 5.717 1.00 0.00 C ATOM 270 C LEU A 17 6.839 -5.017 6.259 1.00 0.00 C ATOM 271 O LEU A 17 7.765 -4.221 6.100 1.00 0.00 O ATOM 272 CB LEU A 17 4.668 -3.799 6.732 1.00 0.00 C ATOM 273 CG LEU A 17 3.706 -4.545 7.682 1.00 0.00 C ATOM 274 CD1 LEU A 17 3.424 -3.724 8.932 1.00 0.00 C ATOM 275 CD2 LEU A 17 2.332 -4.665 7.045 1.00 0.00 C ATOM 0 H LEU A 17 3.879 -6.057 5.979 1.00 0.00 H new ATOM 0 HA LEU A 17 5.575 -4.104 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.395 -3.256 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.095 -3.055 6.179 1.00 0.00 H new ATOM 0 HG LEU A 17 4.180 -5.503 7.898 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.744 -4.274 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.358 -3.534 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.968 -2.775 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.661 -5.193 7.723 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.936 -3.670 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.412 -5.219 6.110 1.00 0.00 H new ATOM 287 N ALA A 18 7.010 -6.189 6.881 1.00 0.00 N ATOM 288 CA ALA A 18 8.305 -6.661 7.373 1.00 0.00 C ATOM 289 C ALA A 18 9.225 -7.218 6.262 1.00 0.00 C ATOM 290 O ALA A 18 10.431 -7.358 6.482 1.00 0.00 O ATOM 291 CB ALA A 18 8.061 -7.728 8.445 1.00 0.00 C ATOM 0 H ALA A 18 6.245 -6.841 7.058 1.00 0.00 H new ATOM 0 HA ALA A 18 8.831 -5.801 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.017 -8.090 8.822 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.488 -7.295 9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.504 -8.559 8.012 1.00 0.00 H new ATOM 297 N ASN A 19 8.681 -7.523 5.079 1.00 0.00 N ATOM 298 CA ASN A 19 9.373 -8.202 3.988 1.00 0.00 C ATOM 299 C ASN A 19 9.227 -7.448 2.657 1.00 0.00 C ATOM 300 O ASN A 19 8.260 -7.623 1.914 1.00 0.00 O ATOM 301 CB ASN A 19 8.888 -9.653 3.847 1.00 0.00 C ATOM 302 CG ASN A 19 9.909 -10.406 3.025 1.00 0.00 C ATOM 303 OD1 ASN A 19 9.883 -10.367 1.810 1.00 0.00 O ATOM 304 ND2 ASN A 19 10.914 -10.998 3.622 1.00 0.00 N ATOM 0 H ASN A 19 7.713 -7.294 4.851 1.00 0.00 H new ATOM 0 HA ASN A 19 10.433 -8.216 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.773 -10.114 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.911 -9.684 3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.661 -11.418 3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.950 -11.039 4.641 1.00 0.00 H new ATOM 311 N ASP A 20 10.223 -6.634 2.311 1.00 0.00 N ATOM 312 CA ASP A 20 10.232 -5.898 1.045 1.00 0.00 C ATOM 313 C ASP A 20 10.175 -6.799 -0.206 1.00 0.00 C ATOM 314 O ASP A 20 9.660 -6.369 -1.238 1.00 0.00 O ATOM 315 CB ASP A 20 11.464 -4.986 0.985 1.00 0.00 C ATOM 316 CG ASP A 20 12.782 -5.760 0.823 1.00 0.00 C ATOM 317 OD1 ASP A 20 13.278 -6.327 1.825 1.00 0.00 O ATOM 318 OD2 ASP A 20 13.305 -5.826 -0.314 1.00 0.00 O ATOM 0 H ASP A 20 11.042 -6.466 2.895 1.00 0.00 H new ATOM 0 HA ASP A 20 9.317 -5.306 1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.353 -4.291 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.510 -4.388 1.895 1.00 0.00 H new ATOM 323 N ARG A 21 10.661 -8.048 -0.123 1.00 0.00 N ATOM 324 CA ARG A 21 10.602 -9.032 -1.224 1.00 0.00 C ATOM 325 C ARG A 21 9.150 -9.383 -1.580 1.00 0.00 C ATOM 326 O ARG A 21 8.811 -9.477 -2.760 1.00 0.00 O ATOM 327 CB ARG A 21 11.384 -10.334 -0.921 1.00 0.00 C ATOM 328 CG ARG A 21 12.600 -10.290 0.022 1.00 0.00 C ATOM 329 CD ARG A 21 13.684 -9.269 -0.319 1.00 0.00 C ATOM 330 NE ARG A 21 14.290 -9.510 -1.642 1.00 0.00 N ATOM 331 CZ ARG A 21 14.647 -8.602 -2.536 1.00 0.00 C ATOM 332 NH1 ARG A 21 14.480 -7.321 -2.364 1.00 0.00 N ATOM 333 NH2 ARG A 21 15.198 -8.980 -3.655 1.00 0.00 N ATOM 0 H ARG A 21 11.111 -8.410 0.718 1.00 0.00 H new ATOM 0 HA ARG A 21 11.083 -8.548 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.675 -11.051 -0.506 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.725 -10.739 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.243 -10.086 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 21 13.056 -11.280 0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 21 13.255 -8.267 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.461 -9.300 0.444 1.00 0.00 H new ATOM 0 HE ARG A 21 14.452 -10.485 -1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.054 -6.973 -1.505 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.775 -6.666 -3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 21 15.352 -9.972 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.475 -8.284 -4.348 1.00 0.00 H new ATOM 347 N LEU A 22 8.287 -9.530 -0.567 1.00 0.00 N ATOM 348 CA LEU A 22 6.831 -9.624 -0.735 1.00 0.00 C ATOM 349 C LEU A 22 6.274 -8.280 -1.226 1.00 0.00 C ATOM 350 O LEU A 22 5.603 -8.229 -2.257 1.00 0.00 O ATOM 351 CB LEU A 22 6.132 -10.018 0.586 1.00 0.00 C ATOM 352 CG LEU A 22 6.605 -11.320 1.254 1.00 0.00 C ATOM 353 CD1 LEU A 22 5.935 -11.525 2.610 1.00 0.00 C ATOM 354 CD2 LEU A 22 6.319 -12.555 0.413 1.00 0.00 C ATOM 0 H LEU A 22 8.585 -9.588 0.407 1.00 0.00 H new ATOM 0 HA LEU A 22 6.631 -10.401 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.264 -9.203 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.063 -10.103 0.393 1.00 0.00 H new ATOM 0 HG LEU A 22 7.683 -11.205 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.291 -12.454 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.180 -10.690 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.854 -11.577 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.675 -13.442 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.245 -12.640 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.831 -12.469 -0.545 1.00 0.00 H new ATOM 366 N LEU A 23 6.603 -7.195 -0.513 1.00 0.00 N ATOM 367 CA LEU A 23 6.066 -5.847 -0.720 1.00 0.00 C ATOM 368 C LEU A 23 6.211 -5.377 -2.183 1.00 0.00 C ATOM 369 O LEU A 23 5.263 -4.855 -2.764 1.00 0.00 O ATOM 370 CB LEU A 23 6.743 -4.886 0.287 1.00 0.00 C ATOM 371 CG LEU A 23 5.914 -3.693 0.755 1.00 0.00 C ATOM 372 CD1 LEU A 23 5.286 -2.925 -0.398 1.00 0.00 C ATOM 373 CD2 LEU A 23 4.864 -4.171 1.743 1.00 0.00 C ATOM 0 H LEU A 23 7.276 -7.235 0.252 1.00 0.00 H new ATOM 0 HA LEU A 23 4.992 -5.854 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.036 -5.463 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.659 -4.508 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 23 6.583 -2.988 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.708 -2.088 -0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.070 -2.549 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.628 -3.587 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.269 -3.322 2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.214 -4.900 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.354 -4.634 2.599 1.00 0.00 H new ATOM 385 N ASN A 24 7.361 -5.637 -2.817 1.00 0.00 N ATOM 386 CA ASN A 24 7.669 -5.241 -4.203 1.00 0.00 C ATOM 387 C ASN A 24 6.595 -5.655 -5.231 1.00 0.00 C ATOM 388 O ASN A 24 6.326 -4.901 -6.165 1.00 0.00 O ATOM 389 CB ASN A 24 9.059 -5.775 -4.602 1.00 0.00 C ATOM 390 CG ASN A 24 10.144 -4.733 -4.393 1.00 0.00 C ATOM 391 OD1 ASN A 24 10.549 -4.027 -5.305 1.00 0.00 O ATOM 392 ND2 ASN A 24 10.634 -4.579 -3.187 1.00 0.00 N ATOM 0 H ASN A 24 8.126 -6.142 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 24 7.673 -4.151 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.290 -6.663 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.045 -6.080 -5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.349 -3.873 -3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.300 -5.165 -2.422 1.00 0.00 H new ATOM 399 N LYS A 25 5.925 -6.799 -5.037 1.00 0.00 N ATOM 400 CA LYS A 25 4.824 -7.271 -5.905 1.00 0.00 C ATOM 401 C LYS A 25 3.551 -6.443 -5.712 1.00 0.00 C ATOM 402 O LYS A 25 2.872 -6.078 -6.672 1.00 0.00 O ATOM 403 CB LYS A 25 4.523 -8.749 -5.601 1.00 0.00 C ATOM 404 CG LYS A 25 5.644 -9.694 -6.058 1.00 0.00 C ATOM 405 CD LYS A 25 5.396 -11.134 -5.584 1.00 0.00 C ATOM 406 CE LYS A 25 5.817 -11.334 -4.122 1.00 0.00 C ATOM 407 NZ LYS A 25 5.683 -12.760 -3.718 1.00 0.00 N ATOM 0 H LYS A 25 6.130 -7.434 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 25 5.146 -7.157 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.368 -8.870 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.592 -9.033 -6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.716 -9.675 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.599 -9.341 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.339 -11.376 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.949 -11.826 -6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.849 -11.010 -3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.202 -10.710 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.974 -12.868 -2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.692 -13.059 -3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.289 -13.351 -4.323 1.00 0.00 H new ATOM 421 N TYR A 26 3.257 -6.118 -4.454 1.00 0.00 N ATOM 422 CA TYR A 26 2.074 -5.380 -4.017 1.00 0.00 C ATOM 423 C TYR A 26 2.143 -3.915 -4.485 1.00 0.00 C ATOM 424 O TYR A 26 1.120 -3.348 -4.864 1.00 0.00 O ATOM 425 CB TYR A 26 1.935 -5.495 -2.482 1.00 0.00 C ATOM 426 CG TYR A 26 1.556 -6.873 -1.937 1.00 0.00 C ATOM 427 CD1 TYR A 26 2.326 -8.021 -2.217 1.00 0.00 C ATOM 428 CD2 TYR A 26 0.418 -7.010 -1.119 1.00 0.00 C ATOM 429 CE1 TYR A 26 1.933 -9.292 -1.760 1.00 0.00 C ATOM 430 CE2 TYR A 26 0.025 -8.273 -0.635 1.00 0.00 C ATOM 431 CZ TYR A 26 0.767 -9.424 -0.975 1.00 0.00 C ATOM 432 OH TYR A 26 0.354 -10.652 -0.564 1.00 0.00 O ATOM 0 H TYR A 26 3.865 -6.374 -3.676 1.00 0.00 H new ATOM 0 HA TYR A 26 1.183 -5.814 -4.472 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.881 -5.196 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.183 -4.778 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.234 -7.922 -2.793 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.161 -6.136 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.521 -10.163 -2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.846 -8.361 -0.002 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.464 -10.561 -0.032 1.00 0.00 H new ATOM 442 N VAL A 27 3.345 -3.321 -4.539 1.00 0.00 N ATOM 443 CA VAL A 27 3.574 -1.992 -5.147 1.00 0.00 C ATOM 444 C VAL A 27 3.627 -2.025 -6.668 1.00 0.00 C ATOM 445 O VAL A 27 2.964 -1.210 -7.303 1.00 0.00 O ATOM 446 CB VAL A 27 4.805 -1.262 -4.574 1.00 0.00 C ATOM 447 CG1 VAL A 27 4.564 -0.987 -3.093 1.00 0.00 C ATOM 448 CG2 VAL A 27 6.113 -2.040 -4.689 1.00 0.00 C ATOM 0 H VAL A 27 4.192 -3.747 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 27 2.694 -1.413 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 27 4.917 -0.354 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.427 -0.470 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.677 -0.364 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.415 -1.930 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.925 -1.452 -4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.024 -2.983 -4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.325 -2.242 -5.739 1.00 0.00 H new ATOM 458 N GLN A 28 4.312 -2.992 -7.287 1.00 0.00 N ATOM 459 CA GLN A 28 4.323 -3.162 -8.752 1.00 0.00 C ATOM 460 C GLN A 28 2.918 -3.200 -9.368 1.00 0.00 C ATOM 461 O GLN A 28 2.742 -2.768 -10.503 1.00 0.00 O ATOM 462 CB GLN A 28 5.060 -4.451 -9.128 1.00 0.00 C ATOM 463 CG GLN A 28 6.507 -4.203 -9.574 1.00 0.00 C ATOM 464 CD GLN A 28 7.378 -5.457 -9.469 1.00 0.00 C ATOM 465 OE1 GLN A 28 8.342 -5.520 -8.718 1.00 0.00 O ATOM 466 NE2 GLN A 28 7.095 -6.504 -10.218 1.00 0.00 N ATOM 0 H GLN A 28 4.876 -3.682 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 28 4.837 -2.289 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.060 -5.127 -8.273 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.519 -4.952 -9.930 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.510 -3.848 -10.605 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.941 -3.411 -8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.297 -6.477 -10.852 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.674 -7.342 -10.163 1.00 0.00 H new ATOM 475 N CYS A 29 1.919 -3.650 -8.607 1.00 0.00 N ATOM 476 CA CYS A 29 0.512 -3.634 -8.987 1.00 0.00 C ATOM 477 C CYS A 29 -0.026 -2.271 -9.477 1.00 0.00 C ATOM 478 O CYS A 29 -0.976 -2.236 -10.262 1.00 0.00 O ATOM 479 CB CYS A 29 -0.288 -4.135 -7.781 1.00 0.00 C ATOM 480 SG CYS A 29 -2.059 -4.404 -8.020 1.00 0.00 S ATOM 0 H CYS A 29 2.076 -4.047 -7.681 1.00 0.00 H new ATOM 0 HA CYS A 29 0.399 -4.281 -9.857 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.155 -5.074 -7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.161 -3.418 -6.970 1.00 0.00 H new ATOM 485 N LEU A 30 0.602 -1.160 -9.066 1.00 0.00 N ATOM 486 CA LEU A 30 0.348 0.180 -9.606 1.00 0.00 C ATOM 487 C LEU A 30 1.617 0.949 -10.053 1.00 0.00 C ATOM 488 O LEU A 30 1.499 1.942 -10.773 1.00 0.00 O ATOM 489 CB LEU A 30 -0.584 0.992 -8.671 1.00 0.00 C ATOM 490 CG LEU A 30 -0.180 1.285 -7.207 1.00 0.00 C ATOM 491 CD1 LEU A 30 -0.371 0.092 -6.270 1.00 0.00 C ATOM 492 CD2 LEU A 30 1.257 1.773 -7.069 1.00 0.00 C ATOM 0 H LEU A 30 1.314 -1.170 -8.335 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.188 0.034 -10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.761 1.954 -9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.540 0.470 -8.641 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.862 2.081 -6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.068 0.370 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.420 -0.203 -6.265 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.239 -0.743 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.478 1.961 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.938 1.013 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.384 2.695 -7.637 1.00 0.00 H new ATOM 504 N LEU A 31 2.822 0.498 -9.669 1.00 0.00 N ATOM 505 CA LEU A 31 4.109 1.065 -10.105 1.00 0.00 C ATOM 506 C LEU A 31 4.445 0.645 -11.547 1.00 0.00 C ATOM 507 O LEU A 31 4.829 1.491 -12.357 1.00 0.00 O ATOM 508 CB LEU A 31 5.205 0.712 -9.060 1.00 0.00 C ATOM 509 CG LEU A 31 6.549 0.111 -9.531 1.00 0.00 C ATOM 510 CD1 LEU A 31 7.452 1.122 -10.233 1.00 0.00 C ATOM 511 CD2 LEU A 31 7.326 -0.414 -8.322 1.00 0.00 C ATOM 0 H LEU A 31 2.931 -0.290 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 31 4.049 2.153 -10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.432 1.623 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.765 0.010 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 31 6.293 -0.678 -10.238 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.378 0.633 -10.537 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.943 1.515 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.681 1.941 -9.551 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.274 -0.838 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.518 0.405 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.741 -1.184 -7.820 1.00 0.00 H new ATOM 523 N GLU A 32 4.288 -0.639 -11.889 1.00 0.00 N ATOM 524 CA GLU A 32 4.572 -1.130 -13.241 1.00 0.00 C ATOM 525 C GLU A 32 3.444 -0.783 -14.238 1.00 0.00 C ATOM 526 O GLU A 32 2.332 -0.408 -13.856 1.00 0.00 O ATOM 527 CB GLU A 32 4.864 -2.646 -13.235 1.00 0.00 C ATOM 528 CG GLU A 32 6.370 -2.951 -13.299 1.00 0.00 C ATOM 529 CD GLU A 32 7.046 -2.570 -14.637 1.00 0.00 C ATOM 530 OE1 GLU A 32 6.364 -2.108 -15.582 1.00 0.00 O ATOM 531 OE2 GLU A 32 8.286 -2.733 -14.743 1.00 0.00 O ATOM 0 H GLU A 32 3.964 -1.360 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 32 5.469 -0.614 -13.584 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.444 -3.091 -12.333 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.365 -3.113 -14.084 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.870 -2.419 -12.490 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.520 -4.016 -13.121 1.00 0.00 H new ATOM 538 N ASP A 33 3.727 -0.920 -15.535 1.00 0.00 N ATOM 539 CA ASP A 33 2.818 -0.552 -16.633 1.00 0.00 C ATOM 540 C ASP A 33 1.612 -1.508 -16.826 1.00 0.00 C ATOM 541 O ASP A 33 0.711 -1.211 -17.613 1.00 0.00 O ATOM 542 CB ASP A 33 3.645 -0.423 -17.923 1.00 0.00 C ATOM 543 CG ASP A 33 2.900 0.323 -19.046 1.00 0.00 C ATOM 544 OD1 ASP A 33 2.471 1.482 -18.827 1.00 0.00 O ATOM 545 OD2 ASP A 33 2.797 -0.217 -20.176 1.00 0.00 O ATOM 0 H ASP A 33 4.615 -1.299 -15.863 1.00 0.00 H new ATOM 0 HA ASP A 33 2.358 0.400 -16.368 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.574 0.102 -17.701 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.917 -1.418 -18.274 1.00 0.00 H new ATOM 550 N ASP A 34 1.556 -2.634 -16.101 1.00 0.00 N ATOM 551 CA ASP A 34 0.480 -3.637 -16.171 1.00 0.00 C ATOM 552 C ASP A 34 0.109 -4.198 -14.787 1.00 0.00 C ATOM 553 O ASP A 34 0.966 -4.459 -13.938 1.00 0.00 O ATOM 554 CB ASP A 34 0.896 -4.814 -17.069 1.00 0.00 C ATOM 555 CG ASP A 34 1.116 -4.425 -18.541 1.00 0.00 C ATOM 556 OD1 ASP A 34 0.116 -4.291 -19.288 1.00 0.00 O ATOM 557 OD2 ASP A 34 2.290 -4.318 -18.975 1.00 0.00 O ATOM 0 H ASP A 34 2.281 -2.881 -15.427 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.388 -3.124 -16.586 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.815 -5.251 -16.677 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.129 -5.587 -17.018 1.00 0.00 H new ATOM 562 N GLU A 35 -1.181 -4.475 -14.592 1.00 0.00 N ATOM 563 CA GLU A 35 -1.757 -5.054 -13.365 1.00 0.00 C ATOM 564 C GLU A 35 -1.612 -6.587 -13.258 1.00 0.00 C ATOM 565 O GLU A 35 -2.055 -7.207 -12.293 1.00 0.00 O ATOM 566 CB GLU A 35 -3.218 -4.591 -13.182 1.00 0.00 C ATOM 567 CG GLU A 35 -4.215 -5.061 -14.254 1.00 0.00 C ATOM 568 CD GLU A 35 -4.228 -4.143 -15.493 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.360 -4.311 -16.383 1.00 0.00 O ATOM 570 OE2 GLU A 35 -5.106 -3.250 -15.586 1.00 0.00 O ATOM 0 H GLU A 35 -1.885 -4.298 -15.308 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.163 -4.668 -12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.569 -4.939 -12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.232 -3.501 -13.154 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.962 -6.076 -14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.216 -5.098 -13.823 1.00 0.00 H new ATOM 577 N SER A 36 -0.924 -7.208 -14.218 1.00 0.00 N ATOM 578 CA SER A 36 -0.509 -8.623 -14.162 1.00 0.00 C ATOM 579 C SER A 36 0.389 -8.930 -12.946 1.00 0.00 C ATOM 580 O SER A 36 0.418 -10.052 -12.438 1.00 0.00 O ATOM 581 CB SER A 36 0.233 -8.964 -15.458 1.00 0.00 C ATOM 582 OG SER A 36 0.440 -10.360 -15.601 1.00 0.00 O ATOM 0 H SER A 36 -0.631 -6.738 -15.075 1.00 0.00 H new ATOM 0 HA SER A 36 -1.404 -9.235 -14.053 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.337 -8.593 -16.310 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.195 -8.452 -15.470 1.00 0.00 H new ATOM 0 HG SER A 36 0.915 -10.536 -16.440 1.00 0.00 H new ATOM 588 N ASN A 37 1.094 -7.907 -12.444 1.00 0.00 N ATOM 589 CA ASN A 37 1.951 -7.958 -11.257 1.00 0.00 C ATOM 590 C ASN A 37 1.205 -8.231 -9.934 1.00 0.00 C ATOM 591 O ASN A 37 1.827 -8.668 -8.963 1.00 0.00 O ATOM 592 CB ASN A 37 2.680 -6.610 -11.145 1.00 0.00 C ATOM 593 CG ASN A 37 3.750 -6.414 -12.203 1.00 0.00 C ATOM 594 OD1 ASN A 37 4.881 -6.850 -12.050 1.00 0.00 O ATOM 595 ND2 ASN A 37 3.453 -5.743 -13.290 1.00 0.00 N ATOM 0 H ASN A 37 1.080 -6.982 -12.875 1.00 0.00 H new ATOM 0 HA ASN A 37 2.631 -8.799 -11.394 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.951 -5.803 -11.222 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.137 -6.533 -10.158 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.165 -5.587 -14.004 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.510 -5.377 -13.422 1.00 0.00 H new ATOM 602 N CYS A 38 -0.094 -7.927 -9.862 1.00 0.00 N ATOM 603 CA CYS A 38 -0.860 -7.967 -8.611 1.00 0.00 C ATOM 604 C CYS A 38 -1.018 -9.396 -8.049 1.00 0.00 C ATOM 605 O CYS A 38 -1.148 -10.364 -8.806 1.00 0.00 O ATOM 606 CB CYS A 38 -2.237 -7.340 -8.854 1.00 0.00 C ATOM 607 SG CYS A 38 -2.241 -5.678 -9.582 1.00 0.00 S ATOM 0 H CYS A 38 -0.647 -7.645 -10.672 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.306 -7.401 -7.862 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.805 -8.002 -9.508 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -2.768 -7.299 -7.903 1.00 0.00 H new ATOM 612 N THR A 39 -1.071 -9.531 -6.718 1.00 0.00 N ATOM 613 CA THR A 39 -1.293 -10.812 -6.016 1.00 0.00 C ATOM 614 C THR A 39 -2.753 -10.962 -5.569 1.00 0.00 C ATOM 615 O THR A 39 -3.510 -9.987 -5.545 1.00 0.00 O ATOM 616 CB THR A 39 -0.362 -10.935 -4.799 1.00 0.00 C ATOM 617 OG1 THR A 39 -0.582 -9.846 -3.943 1.00 0.00 O ATOM 618 CG2 THR A 39 1.116 -10.934 -5.186 1.00 0.00 C ATOM 0 H THR A 39 -0.959 -8.741 -6.082 1.00 0.00 H new ATOM 0 HA THR A 39 -1.066 -11.612 -6.721 1.00 0.00 H new ATOM 0 HB THR A 39 -0.589 -11.886 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.053 -9.882 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.727 -11.023 -4.288 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.319 -11.776 -5.848 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.357 -10.003 -5.698 1.00 0.00 H new ATOM 626 N ALA A 40 -3.161 -12.187 -5.211 1.00 0.00 N ATOM 627 CA ALA A 40 -4.556 -12.564 -4.938 1.00 0.00 C ATOM 628 C ALA A 40 -5.274 -11.718 -3.860 1.00 0.00 C ATOM 629 O ALA A 40 -6.492 -11.538 -3.937 1.00 0.00 O ATOM 630 CB ALA A 40 -4.583 -14.055 -4.574 1.00 0.00 C ATOM 0 H ALA A 40 -2.512 -12.966 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.123 -12.360 -5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.609 -14.360 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.192 -14.640 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.968 -14.225 -3.690 1.00 0.00 H new ATOM 636 N ASP A 41 -4.533 -11.162 -2.896 1.00 0.00 N ATOM 637 CA ASP A 41 -5.044 -10.239 -1.868 1.00 0.00 C ATOM 638 C ASP A 41 -4.293 -8.893 -1.817 1.00 0.00 C ATOM 639 O ASP A 41 -4.844 -7.911 -1.318 1.00 0.00 O ATOM 640 CB ASP A 41 -5.091 -10.935 -0.500 1.00 0.00 C ATOM 641 CG ASP A 41 -3.694 -11.217 0.080 1.00 0.00 C ATOM 642 OD1 ASP A 41 -3.071 -12.229 -0.321 1.00 0.00 O ATOM 643 OD2 ASP A 41 -3.236 -10.438 0.947 1.00 0.00 O ATOM 0 H ASP A 41 -3.534 -11.344 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.062 -9.977 -2.155 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.650 -10.313 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.635 -11.875 -0.595 1.00 0.00 H new ATOM 648 N GLY A 42 -3.107 -8.786 -2.432 1.00 0.00 N ATOM 649 CA GLY A 42 -2.441 -7.502 -2.681 1.00 0.00 C ATOM 650 C GLY A 42 -3.249 -6.576 -3.586 1.00 0.00 C ATOM 651 O GLY A 42 -3.299 -5.368 -3.344 1.00 0.00 O ATOM 0 H GLY A 42 -2.581 -9.591 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.259 -7.003 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.467 -7.686 -3.135 1.00 0.00 H new ATOM 655 N LYS A 43 -3.963 -7.143 -4.569 1.00 0.00 N ATOM 656 CA LYS A 43 -4.966 -6.450 -5.381 1.00 0.00 C ATOM 657 C LYS A 43 -6.078 -5.833 -4.536 1.00 0.00 C ATOM 658 O LYS A 43 -6.529 -4.732 -4.840 1.00 0.00 O ATOM 659 CB LYS A 43 -5.502 -7.457 -6.425 1.00 0.00 C ATOM 660 CG LYS A 43 -6.824 -7.063 -7.104 1.00 0.00 C ATOM 661 CD LYS A 43 -8.010 -7.827 -6.498 1.00 0.00 C ATOM 662 CE LYS A 43 -9.306 -7.153 -6.943 1.00 0.00 C ATOM 663 NZ LYS A 43 -10.509 -7.889 -6.472 1.00 0.00 N ATOM 0 H LYS A 43 -3.853 -8.124 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.507 -5.603 -5.890 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.744 -7.593 -7.196 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.637 -8.422 -5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.986 -5.991 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.763 -7.270 -8.172 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.995 -8.867 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.941 -7.831 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.333 -6.132 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.325 -7.087 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.366 -7.397 -6.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.498 -8.855 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.506 -7.930 -5.433 1.00 0.00 H new ATOM 677 N GLU A 44 -6.526 -6.504 -3.478 1.00 0.00 N ATOM 678 CA GLU A 44 -7.575 -5.956 -2.618 1.00 0.00 C ATOM 679 C GLU A 44 -7.012 -4.869 -1.689 1.00 0.00 C ATOM 680 O GLU A 44 -7.581 -3.781 -1.617 1.00 0.00 O ATOM 681 CB GLU A 44 -8.263 -7.084 -1.835 1.00 0.00 C ATOM 682 CG GLU A 44 -9.596 -6.603 -1.248 1.00 0.00 C ATOM 683 CD GLU A 44 -10.338 -7.727 -0.501 1.00 0.00 C ATOM 684 OE1 GLU A 44 -10.534 -8.821 -1.085 1.00 0.00 O ATOM 685 OE2 GLU A 44 -10.742 -7.512 0.666 1.00 0.00 O ATOM 0 H GLU A 44 -6.183 -7.422 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.330 -5.479 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.436 -7.936 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.610 -7.427 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.413 -5.774 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.228 -6.222 -2.050 1.00 0.00 H new ATOM 692 N LEU A 45 -5.854 -5.121 -1.059 1.00 0.00 N ATOM 693 CA LEU A 45 -5.117 -4.163 -0.225 1.00 0.00 C ATOM 694 C LEU A 45 -4.874 -2.842 -0.972 1.00 0.00 C ATOM 695 O LEU A 45 -5.289 -1.787 -0.500 1.00 0.00 O ATOM 696 CB LEU A 45 -3.821 -4.847 0.281 1.00 0.00 C ATOM 697 CG LEU A 45 -2.801 -3.917 0.981 1.00 0.00 C ATOM 698 CD1 LEU A 45 -2.088 -4.604 2.156 1.00 0.00 C ATOM 699 CD2 LEU A 45 -1.712 -3.448 0.012 1.00 0.00 C ATOM 0 H LEU A 45 -5.391 -6.028 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.707 -3.882 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.098 -5.640 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.329 -5.323 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.388 -3.074 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.384 -3.908 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.824 -4.913 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.549 -5.479 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.013 -2.797 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.177 -4.313 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.169 -2.900 -0.812 1.00 0.00 H new ATOM 711 N LYS A 46 -4.297 -2.882 -2.178 1.00 0.00 N ATOM 712 CA LYS A 46 -4.036 -1.669 -2.972 1.00 0.00 C ATOM 713 C LYS A 46 -5.308 -0.972 -3.468 1.00 0.00 C ATOM 714 O LYS A 46 -5.273 0.227 -3.718 1.00 0.00 O ATOM 715 CB LYS A 46 -3.052 -1.969 -4.117 1.00 0.00 C ATOM 716 CG LYS A 46 -3.694 -2.766 -5.261 1.00 0.00 C ATOM 717 CD LYS A 46 -4.137 -1.911 -6.461 1.00 0.00 C ATOM 718 CE LYS A 46 -5.079 -2.720 -7.365 1.00 0.00 C ATOM 719 NZ LYS A 46 -5.475 -1.949 -8.574 1.00 0.00 N ATOM 0 H LYS A 46 -3.999 -3.746 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.568 -0.951 -2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.661 -1.030 -4.509 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.203 -2.528 -3.723 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.984 -3.517 -5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.560 -3.302 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.641 -1.011 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.265 -1.587 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.588 -3.645 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.970 -3.001 -6.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.111 -2.526 -9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.965 -1.078 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.626 -1.703 -9.122 1.00 0.00 H new ATOM 733 N SER A 47 -6.410 -1.713 -3.625 1.00 0.00 N ATOM 734 CA SER A 47 -7.708 -1.191 -4.083 1.00 0.00 C ATOM 735 C SER A 47 -8.461 -0.447 -2.971 1.00 0.00 C ATOM 736 O SER A 47 -9.159 0.530 -3.247 1.00 0.00 O ATOM 737 CB SER A 47 -8.565 -2.338 -4.631 1.00 0.00 C ATOM 738 OG SER A 47 -9.771 -1.854 -5.198 1.00 0.00 O ATOM 0 H SER A 47 -6.428 -2.715 -3.434 1.00 0.00 H new ATOM 0 HA SER A 47 -7.512 -0.469 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.001 -2.888 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.794 -3.040 -3.829 1.00 0.00 H new ATOM 0 HG SER A 47 -10.297 -2.607 -5.541 1.00 0.00 H new ATOM 744 N VAL A 48 -8.268 -0.834 -1.702 1.00 0.00 N ATOM 745 CA VAL A 48 -8.819 -0.109 -0.542 1.00 0.00 C ATOM 746 C VAL A 48 -7.921 1.039 -0.047 1.00 0.00 C ATOM 747 O VAL A 48 -8.430 1.973 0.572 1.00 0.00 O ATOM 748 CB VAL A 48 -9.182 -1.082 0.595 1.00 0.00 C ATOM 749 CG1 VAL A 48 -7.962 -1.763 1.198 1.00 0.00 C ATOM 750 CG2 VAL A 48 -9.888 -0.382 1.753 1.00 0.00 C ATOM 0 H VAL A 48 -7.725 -1.659 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.734 0.370 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.836 -1.814 0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.278 -2.437 1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.444 -2.331 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.289 -1.009 1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.123 -1.110 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.236 0.389 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.810 0.076 1.394 1.00 0.00 H new ATOM 760 N ILE A 49 -6.612 1.036 -0.353 1.00 0.00 N ATOM 761 CA ILE A 49 -5.709 2.138 0.033 1.00 0.00 C ATOM 762 C ILE A 49 -6.266 3.514 -0.398 1.00 0.00 C ATOM 763 O ILE A 49 -6.332 4.404 0.451 1.00 0.00 O ATOM 764 CB ILE A 49 -4.248 1.939 -0.469 1.00 0.00 C ATOM 765 CG1 ILE A 49 -3.499 0.936 0.438 1.00 0.00 C ATOM 766 CG2 ILE A 49 -3.436 3.256 -0.505 1.00 0.00 C ATOM 767 CD1 ILE A 49 -2.092 0.538 -0.026 1.00 0.00 C ATOM 0 H ILE A 49 -6.154 0.283 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.666 2.118 1.122 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.330 1.560 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.424 1.365 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.102 0.032 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.427 3.052 -0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.922 3.965 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.386 3.680 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.661 -0.168 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.151 0.073 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.463 1.426 -0.082 1.00 0.00 H new ATOM 779 N PRO A 50 -6.703 3.721 -1.661 1.00 0.00 N ATOM 780 CA PRO A 50 -7.228 5.016 -2.100 1.00 0.00 C ATOM 781 C PRO A 50 -8.633 5.304 -1.536 1.00 0.00 C ATOM 782 O PRO A 50 -9.002 6.463 -1.360 1.00 0.00 O ATOM 783 CB PRO A 50 -7.248 4.947 -3.632 1.00 0.00 C ATOM 784 CG PRO A 50 -7.422 3.458 -3.920 1.00 0.00 C ATOM 785 CD PRO A 50 -6.664 2.793 -2.785 1.00 0.00 C ATOM 0 HA PRO A 50 -6.605 5.832 -1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.066 5.535 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.325 5.334 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.473 3.169 -3.926 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.011 3.185 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.122 1.841 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.636 2.581 -3.077 1.00 0.00 H new ATOM 793 N ASP A 51 -9.416 4.276 -1.195 1.00 0.00 N ATOM 794 CA ASP A 51 -10.714 4.426 -0.514 1.00 0.00 C ATOM 795 C ASP A 51 -10.568 4.991 0.909 1.00 0.00 C ATOM 796 O ASP A 51 -11.433 5.744 1.368 1.00 0.00 O ATOM 797 CB ASP A 51 -11.469 3.088 -0.499 1.00 0.00 C ATOM 798 CG ASP A 51 -12.443 2.970 -1.677 1.00 0.00 C ATOM 799 OD1 ASP A 51 -12.005 2.785 -2.836 1.00 0.00 O ATOM 800 OD2 ASP A 51 -13.665 3.080 -1.428 1.00 0.00 O ATOM 0 H ASP A 51 -9.168 3.305 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.295 5.153 -1.082 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.753 2.267 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.018 2.991 0.438 1.00 0.00 H new ATOM 805 N ALA A 52 -9.444 4.730 1.583 1.00 0.00 N ATOM 806 CA ALA A 52 -9.082 5.407 2.830 1.00 0.00 C ATOM 807 C ALA A 52 -8.792 6.920 2.660 1.00 0.00 C ATOM 808 O ALA A 52 -8.685 7.638 3.655 1.00 0.00 O ATOM 809 CB ALA A 52 -7.912 4.663 3.484 1.00 0.00 C ATOM 0 H ALA A 52 -8.758 4.040 1.277 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.949 5.372 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.637 5.162 4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.208 3.636 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.058 4.661 2.807 1.00 0.00 H new ATOM 815 N LEU A 53 -8.718 7.412 1.415 1.00 0.00 N ATOM 816 CA LEU A 53 -8.469 8.816 1.048 1.00 0.00 C ATOM 817 C LEU A 53 -9.699 9.481 0.387 1.00 0.00 C ATOM 818 O LEU A 53 -9.712 10.698 0.199 1.00 0.00 O ATOM 819 CB LEU A 53 -7.252 8.904 0.099 1.00 0.00 C ATOM 820 CG LEU A 53 -6.065 7.961 0.386 1.00 0.00 C ATOM 821 CD1 LEU A 53 -5.003 8.066 -0.706 1.00 0.00 C ATOM 822 CD2 LEU A 53 -5.400 8.242 1.730 1.00 0.00 C ATOM 0 H LEU A 53 -8.836 6.814 0.597 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.263 9.359 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.600 8.710 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.882 9.929 0.119 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.486 6.956 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.178 7.391 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.440 7.793 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.631 9.089 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.572 7.549 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.024 9.265 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.129 8.113 2.530 1.00 0.00 H new ATOM 834 N SER A 54 -10.732 8.694 0.049 1.00 0.00 N ATOM 835 CA SER A 54 -11.916 9.124 -0.723 1.00 0.00 C ATOM 836 C SER A 54 -13.238 8.978 0.052 1.00 0.00 C ATOM 837 O SER A 54 -14.168 9.761 -0.151 1.00 0.00 O ATOM 838 CB SER A 54 -11.968 8.318 -2.029 1.00 0.00 C ATOM 839 OG SER A 54 -12.859 8.897 -2.971 1.00 0.00 O ATOM 0 H SER A 54 -10.771 7.709 0.312 1.00 0.00 H new ATOM 0 HA SER A 54 -11.809 10.189 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 54 -10.969 8.261 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.281 7.296 -1.813 1.00 0.00 H new ATOM 0 HG SER A 54 -12.865 8.358 -3.790 1.00 0.00 H new ATOM 845 N ASN A 55 -13.312 8.019 0.982 1.00 0.00 N ATOM 846 CA ASN A 55 -14.425 7.815 1.925 1.00 0.00 C ATOM 847 C ASN A 55 -13.924 7.334 3.305 1.00 0.00 C ATOM 848 O ASN A 55 -14.664 6.694 4.048 1.00 0.00 O ATOM 849 CB ASN A 55 -15.519 6.898 1.309 1.00 0.00 C ATOM 850 CG ASN A 55 -15.043 5.921 0.251 1.00 0.00 C ATOM 851 OD1 ASN A 55 -15.410 6.000 -0.913 1.00 0.00 O ATOM 852 ND2 ASN A 55 -14.232 4.959 0.614 1.00 0.00 N ATOM 0 H ASN A 55 -12.567 7.333 1.106 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.901 8.779 2.106 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.988 6.332 2.114 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.292 7.530 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.908 4.278 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.924 4.890 1.584 1.00 0.00 H new ATOM 859 N GLU A 56 -12.657 7.604 3.650 1.00 0.00 N ATOM 860 CA GLU A 56 -12.019 7.234 4.931 1.00 0.00 C ATOM 861 C GLU A 56 -12.199 5.747 5.314 1.00 0.00 C ATOM 862 O GLU A 56 -12.266 5.392 6.493 1.00 0.00 O ATOM 863 CB GLU A 56 -12.456 8.211 6.042 1.00 0.00 C ATOM 864 CG GLU A 56 -12.077 9.665 5.725 1.00 0.00 C ATOM 865 CD GLU A 56 -12.440 10.597 6.898 1.00 0.00 C ATOM 866 OE1 GLU A 56 -11.592 10.808 7.800 1.00 0.00 O ATOM 867 OE2 GLU A 56 -13.575 11.134 6.926 1.00 0.00 O ATOM 0 H GLU A 56 -12.022 8.103 3.027 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.942 7.335 4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.535 8.141 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.995 7.915 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.008 9.730 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.594 9.991 4.823 1.00 0.00 H new ATOM 874 N CYS A 57 -12.288 4.866 4.304 1.00 0.00 N ATOM 875 CA CYS A 57 -12.550 3.430 4.450 1.00 0.00 C ATOM 876 C CYS A 57 -13.868 3.125 5.207 1.00 0.00 C ATOM 877 O CYS A 57 -13.984 2.120 5.904 1.00 0.00 O ATOM 878 CB CYS A 57 -11.310 2.763 5.076 1.00 0.00 C ATOM 879 SG CYS A 57 -10.874 1.090 4.514 1.00 0.00 S ATOM 0 H CYS A 57 -12.175 5.147 3.330 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.715 2.997 3.464 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.453 3.412 4.894 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.458 2.726 6.155 1.00 0.00 H new ATOM 884 N ALA A 58 -14.886 3.988 5.125 1.00 0.00 N ATOM 885 CA ALA A 58 -16.124 3.820 5.891 1.00 0.00 C ATOM 886 C ALA A 58 -16.945 2.570 5.502 1.00 0.00 C ATOM 887 O ALA A 58 -17.627 1.995 6.355 1.00 0.00 O ATOM 888 CB ALA A 58 -16.952 5.105 5.749 1.00 0.00 C ATOM 0 H ALA A 58 -14.875 4.817 4.530 1.00 0.00 H new ATOM 0 HA ALA A 58 -15.853 3.649 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -17.880 5.004 6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.383 5.950 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.182 5.275 4.697 1.00 0.00 H new ATOM 894 N LYS A 59 -16.849 2.116 4.240 1.00 0.00 N ATOM 895 CA LYS A 59 -17.460 0.851 3.766 1.00 0.00 C ATOM 896 C LYS A 59 -16.704 -0.434 4.166 1.00 0.00 C ATOM 897 O LYS A 59 -17.189 -1.543 3.933 1.00 0.00 O ATOM 898 CB LYS A 59 -17.737 0.891 2.253 1.00 0.00 C ATOM 899 CG LYS A 59 -16.468 0.933 1.394 1.00 0.00 C ATOM 900 CD LYS A 59 -16.104 2.354 0.952 1.00 0.00 C ATOM 901 CE LYS A 59 -16.900 2.827 -0.273 1.00 0.00 C ATOM 902 NZ LYS A 59 -16.329 2.302 -1.542 1.00 0.00 N ATOM 0 H LYS A 59 -16.342 2.617 3.511 1.00 0.00 H new ATOM 0 HA LYS A 59 -18.409 0.790 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -18.323 0.014 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -18.347 1.766 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.638 0.508 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.609 0.307 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -16.280 3.042 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.039 2.395 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.936 2.503 -0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.908 3.917 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.960 2.544 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.393 2.726 -1.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.234 1.268 -1.479 1.00 0.00 H new ATOM 916 N CYS A 60 -15.496 -0.295 4.713 1.00 0.00 N ATOM 917 CA CYS A 60 -14.566 -1.378 5.021 1.00 0.00 C ATOM 918 C CYS A 60 -14.930 -2.151 6.303 1.00 0.00 C ATOM 919 O CYS A 60 -15.828 -1.770 7.059 1.00 0.00 O ATOM 920 CB CYS A 60 -13.184 -0.739 5.196 1.00 0.00 C ATOM 921 SG CYS A 60 -12.567 0.206 3.785 1.00 0.00 S ATOM 0 H CYS A 60 -15.123 0.620 4.965 1.00 0.00 H new ATOM 0 HA CYS A 60 -14.598 -2.104 4.208 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -13.217 -0.080 6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -12.466 -1.528 5.422 1.00 0.00 H new ATOM 926 N ASN A 61 -14.148 -3.198 6.587 1.00 0.00 N ATOM 927 CA ASN A 61 -14.090 -3.851 7.901 1.00 0.00 C ATOM 928 C ASN A 61 -12.839 -3.432 8.691 1.00 0.00 C ATOM 929 O ASN A 61 -11.884 -2.889 8.136 1.00 0.00 O ATOM 930 CB ASN A 61 -14.160 -5.375 7.719 1.00 0.00 C ATOM 931 CG ASN A 61 -12.900 -5.947 7.102 1.00 0.00 C ATOM 932 OD1 ASN A 61 -11.880 -6.089 7.749 1.00 0.00 O ATOM 933 ND2 ASN A 61 -12.914 -6.262 5.833 1.00 0.00 N ATOM 0 H ASN A 61 -13.527 -3.623 5.899 1.00 0.00 H new ATOM 0 HA ASN A 61 -14.948 -3.527 8.490 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.332 -5.845 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.014 -5.623 7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.071 -6.626 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.768 -6.144 5.288 1.00 0.00 H new ATOM 940 N GLU A 62 -12.826 -3.740 9.987 1.00 0.00 N ATOM 941 CA GLU A 62 -11.767 -3.333 10.926 1.00 0.00 C ATOM 942 C GLU A 62 -10.355 -3.799 10.533 1.00 0.00 C ATOM 943 O GLU A 62 -9.382 -3.088 10.799 1.00 0.00 O ATOM 944 CB GLU A 62 -12.121 -3.794 12.352 1.00 0.00 C ATOM 945 CG GLU A 62 -12.150 -5.320 12.549 1.00 0.00 C ATOM 946 CD GLU A 62 -12.592 -5.678 13.982 1.00 0.00 C ATOM 947 OE1 GLU A 62 -11.725 -5.774 14.885 1.00 0.00 O ATOM 948 OE2 GLU A 62 -13.810 -5.868 14.215 1.00 0.00 O ATOM 0 H GLU A 62 -13.563 -4.290 10.428 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.729 -2.244 10.885 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.399 -3.366 13.047 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.097 -3.389 12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.833 -5.771 11.829 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.161 -5.735 12.354 1.00 0.00 H new ATOM 955 N LYS A 63 -10.230 -4.957 9.865 1.00 0.00 N ATOM 956 CA LYS A 63 -8.926 -5.519 9.468 1.00 0.00 C ATOM 957 C LYS A 63 -8.297 -4.692 8.353 1.00 0.00 C ATOM 958 O LYS A 63 -7.119 -4.352 8.419 1.00 0.00 O ATOM 959 CB LYS A 63 -9.060 -6.986 9.030 1.00 0.00 C ATOM 960 CG LYS A 63 -9.788 -7.847 10.076 1.00 0.00 C ATOM 961 CD LYS A 63 -9.572 -9.352 9.855 1.00 0.00 C ATOM 962 CE LYS A 63 -8.465 -9.960 10.734 1.00 0.00 C ATOM 963 NZ LYS A 63 -7.127 -9.335 10.542 1.00 0.00 N ATOM 0 H LYS A 63 -11.026 -5.530 9.585 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.274 -5.483 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.602 -7.032 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.068 -7.400 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.438 -7.576 11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.855 -7.628 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.507 -9.876 10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.325 -9.523 8.807 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.753 -9.864 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.390 -11.026 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.435 -9.797 11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.830 -9.449 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.180 -8.322 10.773 1.00 0.00 H new ATOM 977 N GLN A 64 -9.106 -4.323 7.360 1.00 0.00 N ATOM 978 CA GLN A 64 -8.719 -3.424 6.268 1.00 0.00 C ATOM 979 C GLN A 64 -8.465 -1.993 6.767 1.00 0.00 C ATOM 980 O GLN A 64 -7.417 -1.428 6.461 1.00 0.00 O ATOM 981 CB GLN A 64 -9.804 -3.442 5.178 1.00 0.00 C ATOM 982 CG GLN A 64 -9.950 -4.803 4.475 1.00 0.00 C ATOM 983 CD GLN A 64 -8.775 -5.124 3.553 1.00 0.00 C ATOM 984 OE1 GLN A 64 -7.678 -5.462 3.976 1.00 0.00 O ATOM 985 NE2 GLN A 64 -8.956 -5.027 2.257 1.00 0.00 N ATOM 0 H GLN A 64 -10.071 -4.647 7.289 1.00 0.00 H new ATOM 0 HA GLN A 64 -7.780 -3.782 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -10.760 -3.169 5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.571 -2.681 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.040 -5.587 5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.873 -4.810 3.895 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.865 -4.746 1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.188 -5.232 1.618 1.00 0.00 H new ATOM 994 N LYS A 65 -9.378 -1.434 7.577 1.00 0.00 N ATOM 995 CA LYS A 65 -9.283 -0.074 8.157 1.00 0.00 C ATOM 996 C LYS A 65 -7.980 0.158 8.923 1.00 0.00 C ATOM 997 O LYS A 65 -7.286 1.142 8.671 1.00 0.00 O ATOM 998 CB LYS A 65 -10.481 0.212 9.081 1.00 0.00 C ATOM 999 CG LYS A 65 -11.790 0.379 8.300 1.00 0.00 C ATOM 1000 CD LYS A 65 -13.040 0.505 9.183 1.00 0.00 C ATOM 1001 CE LYS A 65 -13.053 1.830 9.958 1.00 0.00 C ATOM 1002 NZ LYS A 65 -14.269 1.959 10.805 1.00 0.00 N ATOM 0 H LYS A 65 -10.227 -1.924 7.857 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.295 0.616 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.588 -0.604 9.796 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.286 1.117 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.713 1.265 7.670 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.914 -0.475 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.933 0.437 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.076 -0.328 9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.164 1.894 10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.008 2.663 9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.243 2.866 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.117 1.923 10.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.299 1.178 11.491 1.00 0.00 H new ATOM 1016 N GLU A 66 -7.629 -0.746 9.840 1.00 0.00 N ATOM 1017 CA GLU A 66 -6.349 -0.684 10.557 1.00 0.00 C ATOM 1018 C GLU A 66 -5.171 -1.073 9.652 1.00 0.00 C ATOM 1019 O GLU A 66 -4.119 -0.435 9.712 1.00 0.00 O ATOM 1020 CB GLU A 66 -6.386 -1.601 11.792 1.00 0.00 C ATOM 1021 CG GLU A 66 -7.305 -1.085 12.910 1.00 0.00 C ATOM 1022 CD GLU A 66 -6.737 0.186 13.568 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -5.886 0.076 14.482 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -7.112 1.310 13.154 1.00 0.00 O ATOM 0 H GLU A 66 -8.217 -1.536 10.106 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.200 0.348 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.719 -2.594 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.375 -1.710 12.185 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.293 -0.874 12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.432 -1.861 13.665 1.00 0.00 H new ATOM 1031 N GLY A 67 -5.353 -2.091 8.804 1.00 0.00 N ATOM 1032 CA GLY A 67 -4.333 -2.662 7.923 1.00 0.00 C ATOM 1033 C GLY A 67 -3.738 -1.666 6.931 1.00 0.00 C ATOM 1034 O GLY A 67 -2.533 -1.438 6.946 1.00 0.00 O ATOM 0 H GLY A 67 -6.255 -2.558 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.530 -3.074 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.770 -3.493 7.369 1.00 0.00 H new ATOM 1038 N THR A 68 -4.544 -1.010 6.093 1.00 0.00 N ATOM 1039 CA THR A 68 -3.991 -0.035 5.138 1.00 0.00 C ATOM 1040 C THR A 68 -3.398 1.186 5.833 1.00 0.00 C ATOM 1041 O THR A 68 -2.346 1.660 5.412 1.00 0.00 O ATOM 1042 CB THR A 68 -5.013 0.411 4.088 1.00 0.00 C ATOM 1043 OG1 THR A 68 -6.221 0.857 4.667 1.00 0.00 O ATOM 1044 CG2 THR A 68 -5.310 -0.756 3.157 1.00 0.00 C ATOM 0 H THR A 68 -5.556 -1.128 6.052 1.00 0.00 H new ATOM 0 HA THR A 68 -3.188 -0.563 4.624 1.00 0.00 H new ATOM 0 HB THR A 68 -4.580 1.249 3.541 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.841 1.132 3.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.037 -0.447 2.406 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.391 -1.071 2.664 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.715 -1.587 3.734 1.00 0.00 H new ATOM 1052 N LYS A 69 -4.008 1.652 6.931 1.00 0.00 N ATOM 1053 CA LYS A 69 -3.524 2.783 7.742 1.00 0.00 C ATOM 1054 C LYS A 69 -2.138 2.528 8.349 1.00 0.00 C ATOM 1055 O LYS A 69 -1.285 3.411 8.295 1.00 0.00 O ATOM 1056 CB LYS A 69 -4.604 3.116 8.787 1.00 0.00 C ATOM 1057 CG LYS A 69 -4.304 4.332 9.686 1.00 0.00 C ATOM 1058 CD LYS A 69 -3.583 4.022 11.015 1.00 0.00 C ATOM 1059 CE LYS A 69 -4.320 3.022 11.923 1.00 0.00 C ATOM 1060 NZ LYS A 69 -5.656 3.513 12.350 1.00 0.00 N ATOM 0 H LYS A 69 -4.872 1.245 7.290 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.370 3.654 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.545 3.294 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.751 2.243 9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.695 5.037 9.120 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.245 4.833 9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.591 3.628 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.441 4.954 11.562 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.437 2.076 11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.712 2.822 12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.157 2.757 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.540 4.335 12.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.207 3.791 11.513 1.00 0.00 H new ATOM 1074 N LYS A 70 -1.873 1.326 8.876 1.00 0.00 N ATOM 1075 CA LYS A 70 -0.527 0.933 9.341 1.00 0.00 C ATOM 1076 C LYS A 70 0.434 0.709 8.170 1.00 0.00 C ATOM 1077 O LYS A 70 1.574 1.161 8.215 1.00 0.00 O ATOM 1078 CB LYS A 70 -0.581 -0.261 10.326 1.00 0.00 C ATOM 1079 CG LYS A 70 -0.955 -1.621 9.710 1.00 0.00 C ATOM 1080 CD LYS A 70 -1.059 -2.833 10.649 1.00 0.00 C ATOM 1081 CE LYS A 70 -2.161 -2.709 11.715 1.00 0.00 C ATOM 1082 NZ LYS A 70 -1.669 -2.120 12.992 1.00 0.00 N ATOM 0 H LYS A 70 -2.578 0.598 8.994 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.119 1.768 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.393 -0.356 10.806 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.301 -0.028 11.110 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.914 -1.507 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.217 -1.855 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.244 -3.726 10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.100 -2.976 11.148 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.970 -2.092 11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.580 -3.695 11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.474 -1.749 13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.183 -2.853 13.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.006 -1.346 12.785 1.00 0.00 H new ATOM 1096 N VAL A 71 0.007 0.032 7.108 1.00 0.00 N ATOM 1097 CA VAL A 71 0.865 -0.320 5.958 1.00 0.00 C ATOM 1098 C VAL A 71 1.382 0.908 5.219 1.00 0.00 C ATOM 1099 O VAL A 71 2.578 0.978 4.950 1.00 0.00 O ATOM 1100 CB VAL A 71 0.118 -1.280 5.019 1.00 0.00 C ATOM 1101 CG1 VAL A 71 0.821 -1.514 3.674 1.00 0.00 C ATOM 1102 CG2 VAL A 71 -0.028 -2.624 5.742 1.00 0.00 C ATOM 0 H VAL A 71 -0.954 -0.296 7.011 1.00 0.00 H new ATOM 0 HA VAL A 71 1.748 -0.829 6.344 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.843 -0.822 4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.230 -2.203 3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.924 -0.565 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.809 -1.941 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.556 -3.328 5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.960 -3.019 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.592 -2.482 6.664 1.00 0.00 H new ATOM 1112 N LEU A 72 0.527 1.907 4.992 1.00 0.00 N ATOM 1113 CA LEU A 72 0.894 3.217 4.442 1.00 0.00 C ATOM 1114 C LEU A 72 2.088 3.830 5.178 1.00 0.00 C ATOM 1115 O LEU A 72 3.032 4.268 4.524 1.00 0.00 O ATOM 1116 CB LEU A 72 -0.377 4.093 4.406 1.00 0.00 C ATOM 1117 CG LEU A 72 -0.300 5.614 4.634 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.655 6.176 4.210 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -0.103 5.980 6.112 1.00 0.00 C ATOM 0 H LEU A 72 -0.470 1.826 5.191 1.00 0.00 H new ATOM 0 HA LEU A 72 1.255 3.125 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.843 3.940 3.433 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.062 3.693 5.154 1.00 0.00 H new ATOM 0 HG LEU A 72 0.545 6.012 4.073 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.660 7.257 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.832 5.945 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.441 5.728 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.056 7.064 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.939 5.596 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.826 5.540 6.475 1.00 0.00 H new ATOM 1131 N LYS A 73 2.091 3.784 6.519 1.00 0.00 N ATOM 1132 CA LYS A 73 3.118 4.406 7.369 1.00 0.00 C ATOM 1133 C LYS A 73 4.475 3.710 7.222 1.00 0.00 C ATOM 1134 O LYS A 73 5.504 4.365 7.051 1.00 0.00 O ATOM 1135 CB LYS A 73 2.618 4.363 8.828 1.00 0.00 C ATOM 1136 CG LYS A 73 3.595 4.931 9.871 1.00 0.00 C ATOM 1137 CD LYS A 73 3.951 6.408 9.677 1.00 0.00 C ATOM 1138 CE LYS A 73 2.724 7.310 9.879 1.00 0.00 C ATOM 1139 NZ LYS A 73 3.105 8.742 10.002 1.00 0.00 N ATOM 0 H LYS A 73 1.366 3.305 7.053 1.00 0.00 H new ATOM 0 HA LYS A 73 3.274 5.439 7.059 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.682 4.917 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.394 3.328 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.161 4.803 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.513 4.344 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.733 6.691 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.354 6.558 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.040 7.187 9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.188 6.998 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.250 9.318 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.737 8.864 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.595 9.047 9.136 1.00 0.00 H new ATOM 1153 N HIS A 74 4.472 2.378 7.239 1.00 0.00 N ATOM 1154 CA HIS A 74 5.657 1.548 6.976 1.00 0.00 C ATOM 1155 C HIS A 74 6.177 1.756 5.555 1.00 0.00 C ATOM 1156 O HIS A 74 7.374 1.957 5.384 1.00 0.00 O ATOM 1157 CB HIS A 74 5.355 0.058 7.210 1.00 0.00 C ATOM 1158 CG HIS A 74 4.979 -0.296 8.626 1.00 0.00 C ATOM 1159 ND1 HIS A 74 3.703 -0.269 9.135 1.00 0.00 N ATOM 1160 CD2 HIS A 74 5.790 -0.839 9.585 1.00 0.00 C ATOM 1161 CE1 HIS A 74 3.710 -0.826 10.356 1.00 0.00 C ATOM 1162 NE2 HIS A 74 4.983 -1.142 10.674 1.00 0.00 N ATOM 0 H HIS A 74 3.634 1.832 7.439 1.00 0.00 H new ATOM 0 HA HIS A 74 6.431 1.861 7.677 1.00 0.00 H new ATOM 0 HB2 HIS A 74 4.543 -0.242 6.548 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.231 -0.525 6.925 1.00 0.00 H new ATOM 0 HD1 HIS A 74 2.884 0.112 8.662 1.00 0.00 H new ATOM 0 HD2 HIS A 74 6.855 -1.001 9.509 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.844 -0.993 10.979 1.00 0.00 H new ATOM 1171 N LEU A 75 5.308 1.760 4.542 1.00 0.00 N ATOM 1172 CA LEU A 75 5.716 1.936 3.145 1.00 0.00 C ATOM 1173 C LEU A 75 6.426 3.283 2.934 1.00 0.00 C ATOM 1174 O LEU A 75 7.489 3.313 2.324 1.00 0.00 O ATOM 1175 CB LEU A 75 4.489 1.817 2.216 1.00 0.00 C ATOM 1176 CG LEU A 75 4.408 0.500 1.426 1.00 0.00 C ATOM 1177 CD1 LEU A 75 4.580 -0.753 2.294 1.00 0.00 C ATOM 1178 CD2 LEU A 75 3.064 0.450 0.697 1.00 0.00 C ATOM 0 H LEU A 75 4.303 1.642 4.666 1.00 0.00 H new ATOM 0 HA LEU A 75 6.426 1.147 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.585 1.922 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.502 2.648 1.511 1.00 0.00 H new ATOM 0 HG LEU A 75 5.241 0.492 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.511 -1.642 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.555 -0.727 2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.797 -0.781 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.991 -0.479 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.254 0.497 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.988 1.297 0.015 1.00 0.00 H new ATOM 1190 N ILE A 76 5.909 4.385 3.490 1.00 0.00 N ATOM 1191 CA ILE A 76 6.590 5.692 3.418 1.00 0.00 C ATOM 1192 C ILE A 76 7.908 5.713 4.226 1.00 0.00 C ATOM 1193 O ILE A 76 8.886 6.304 3.774 1.00 0.00 O ATOM 1194 CB ILE A 76 5.592 6.832 3.757 1.00 0.00 C ATOM 1195 CG1 ILE A 76 6.113 8.245 3.438 1.00 0.00 C ATOM 1196 CG2 ILE A 76 5.020 6.819 5.178 1.00 0.00 C ATOM 1197 CD1 ILE A 76 6.904 8.945 4.553 1.00 0.00 C ATOM 0 H ILE A 76 5.023 4.402 3.995 1.00 0.00 H new ATOM 0 HA ILE A 76 6.917 5.871 2.394 1.00 0.00 H new ATOM 0 HB ILE A 76 4.772 6.596 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.748 8.184 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.261 8.873 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.336 7.659 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.483 5.885 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.834 6.904 5.898 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.218 9.931 4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.273 9.050 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.783 8.351 4.804 1.00 0.00 H new ATOM 1209 N ASN A 77 7.984 5.011 5.369 1.00 0.00 N ATOM 1210 CA ASN A 77 9.204 4.911 6.199 1.00 0.00 C ATOM 1211 C ASN A 77 10.281 3.939 5.657 1.00 0.00 C ATOM 1212 O ASN A 77 11.453 4.075 6.016 1.00 0.00 O ATOM 1213 CB ASN A 77 8.822 4.550 7.656 1.00 0.00 C ATOM 1214 CG ASN A 77 8.387 5.762 8.468 1.00 0.00 C ATOM 1215 OD1 ASN A 77 9.035 6.198 9.410 1.00 0.00 O ATOM 1216 ND2 ASN A 77 7.278 6.369 8.128 1.00 0.00 N ATOM 0 H ASN A 77 7.194 4.490 5.750 1.00 0.00 H new ATOM 0 HA ASN A 77 9.671 5.895 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 77 8.015 3.817 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 77 9.675 4.078 8.144 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.967 7.191 8.646 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.725 6.020 7.345 1.00 0.00 H new ATOM 1223 N HIS A 78 9.920 2.975 4.799 1.00 0.00 N ATOM 1224 CA HIS A 78 10.817 1.891 4.334 1.00 0.00 C ATOM 1225 C HIS A 78 10.998 1.779 2.813 1.00 0.00 C ATOM 1226 O HIS A 78 12.003 1.237 2.351 1.00 0.00 O ATOM 1227 CB HIS A 78 10.315 0.548 4.880 1.00 0.00 C ATOM 1228 CG HIS A 78 10.468 0.399 6.376 1.00 0.00 C ATOM 1229 ND1 HIS A 78 11.665 0.234 7.051 1.00 0.00 N ATOM 1230 CD2 HIS A 78 9.462 0.402 7.306 1.00 0.00 C ATOM 1231 CE1 HIS A 78 11.394 0.142 8.368 1.00 0.00 C ATOM 1232 NE2 HIS A 78 10.060 0.246 8.545 1.00 0.00 N ATOM 0 H HIS A 78 8.984 2.919 4.398 1.00 0.00 H new ATOM 0 HA HIS A 78 11.802 2.153 4.722 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.263 0.431 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A 78 10.857 -0.259 4.387 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.405 0.506 7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.124 0.007 9.152 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.574 0.215 9.441 1.00 0.00 H new ATOM 1241 N LYS A 79 10.060 2.317 2.033 1.00 0.00 N ATOM 1242 CA LYS A 79 10.074 2.398 0.563 1.00 0.00 C ATOM 1243 C LYS A 79 9.729 3.820 0.090 1.00 0.00 C ATOM 1244 O LYS A 79 8.830 3.987 -0.728 1.00 0.00 O ATOM 1245 CB LYS A 79 9.135 1.308 -0.015 1.00 0.00 C ATOM 1246 CG LYS A 79 9.761 -0.090 -0.132 1.00 0.00 C ATOM 1247 CD LYS A 79 10.681 -0.245 -1.356 1.00 0.00 C ATOM 1248 CE LYS A 79 12.050 0.435 -1.188 1.00 0.00 C ATOM 1249 NZ LYS A 79 13.088 -0.170 -2.065 1.00 0.00 N ATOM 0 H LYS A 79 9.218 2.734 2.429 1.00 0.00 H new ATOM 0 HA LYS A 79 11.076 2.199 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.248 1.241 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.800 1.624 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.332 -0.302 0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.966 -0.833 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.834 -1.306 -1.553 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.182 0.173 -2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.957 1.497 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.366 0.359 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.994 0.319 -1.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.197 -1.177 -1.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.800 -0.075 -3.060 1.00 0.00 H new ATOM 1263 N PRO A 80 10.443 4.861 0.562 1.00 0.00 N ATOM 1264 CA PRO A 80 10.121 6.263 0.270 1.00 0.00 C ATOM 1265 C PRO A 80 10.164 6.587 -1.235 1.00 0.00 C ATOM 1266 O PRO A 80 9.291 7.282 -1.755 1.00 0.00 O ATOM 1267 CB PRO A 80 11.147 7.081 1.064 1.00 0.00 C ATOM 1268 CG PRO A 80 12.338 6.131 1.199 1.00 0.00 C ATOM 1269 CD PRO A 80 11.687 4.756 1.312 1.00 0.00 C ATOM 0 HA PRO A 80 9.097 6.499 0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.422 7.996 0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.757 7.376 2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.000 6.192 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.939 6.364 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.332 3.980 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.499 4.494 2.353 1.00 0.00 H new ATOM 1277 N ASP A 81 11.144 6.029 -1.954 1.00 0.00 N ATOM 1278 CA ASP A 81 11.312 6.195 -3.406 1.00 0.00 C ATOM 1279 C ASP A 81 10.141 5.631 -4.233 1.00 0.00 C ATOM 1280 O ASP A 81 9.758 6.225 -5.245 1.00 0.00 O ATOM 1281 CB ASP A 81 12.609 5.503 -3.852 1.00 0.00 C ATOM 1282 CG ASP A 81 13.863 6.107 -3.202 1.00 0.00 C ATOM 1283 OD1 ASP A 81 14.415 7.087 -3.758 1.00 0.00 O ATOM 1284 OD2 ASP A 81 14.302 5.589 -2.149 1.00 0.00 O ATOM 0 H ASP A 81 11.860 5.435 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 81 11.347 7.269 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.553 4.443 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.698 5.573 -4.936 1.00 0.00 H new ATOM 1289 N VAL A 82 9.579 4.488 -3.817 1.00 0.00 N ATOM 1290 CA VAL A 82 8.406 3.853 -4.452 1.00 0.00 C ATOM 1291 C VAL A 82 7.095 4.456 -3.949 1.00 0.00 C ATOM 1292 O VAL A 82 6.184 4.690 -4.742 1.00 0.00 O ATOM 1293 CB VAL A 82 8.414 2.328 -4.251 1.00 0.00 C ATOM 1294 CG1 VAL A 82 7.189 1.682 -4.904 1.00 0.00 C ATOM 1295 CG2 VAL A 82 9.670 1.697 -4.866 1.00 0.00 C ATOM 0 H VAL A 82 9.930 3.965 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 82 8.476 4.054 -5.521 1.00 0.00 H new ATOM 0 HB VAL A 82 8.399 2.150 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.219 0.604 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.282 2.088 -4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.193 1.893 -5.973 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.649 0.619 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.697 1.908 -5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.557 2.116 -4.391 1.00 0.00 H new ATOM 1305 N TRP A 83 7.002 4.782 -2.658 1.00 0.00 N ATOM 1306 CA TRP A 83 5.882 5.525 -2.074 1.00 0.00 C ATOM 1307 C TRP A 83 5.572 6.811 -2.851 1.00 0.00 C ATOM 1308 O TRP A 83 4.408 7.062 -3.154 1.00 0.00 O ATOM 1309 CB TRP A 83 6.185 5.840 -0.605 1.00 0.00 C ATOM 1310 CG TRP A 83 5.360 6.956 -0.052 1.00 0.00 C ATOM 1311 CD1 TRP A 83 5.796 8.220 0.148 1.00 0.00 C ATOM 1312 CD2 TRP A 83 3.928 6.981 0.218 1.00 0.00 C ATOM 1313 NE1 TRP A 83 4.747 9.015 0.560 1.00 0.00 N ATOM 1314 CE2 TRP A 83 3.564 8.309 0.596 1.00 0.00 C ATOM 1315 CE3 TRP A 83 2.897 6.020 0.138 1.00 0.00 C ATOM 1316 CZ2 TRP A 83 2.239 8.669 0.875 1.00 0.00 C ATOM 1317 CZ3 TRP A 83 1.561 6.375 0.395 1.00 0.00 C ATOM 1318 CH2 TRP A 83 1.236 7.696 0.746 1.00 0.00 C ATOM 0 H TRP A 83 7.717 4.532 -1.975 1.00 0.00 H new ATOM 0 HA TRP A 83 4.993 4.897 -2.137 1.00 0.00 H new ATOM 0 HB2 TRP A 83 6.017 4.944 -0.007 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.240 6.095 -0.507 1.00 0.00 H new ATOM 0 HD1 TRP A 83 6.812 8.556 0.006 1.00 0.00 H new ATOM 0 HE1 TRP A 83 4.836 10.001 0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 83 3.137 5.000 -0.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.995 9.675 1.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 0.782 5.630 0.322 1.00 0.00 H new ATOM 0 HH2 TRP A 83 0.204 7.965 0.918 1.00 0.00 H new ATOM 1329 N ALA A 84 6.591 7.576 -3.261 1.00 0.00 N ATOM 1330 CA ALA A 84 6.422 8.768 -4.096 1.00 0.00 C ATOM 1331 C ALA A 84 5.608 8.507 -5.385 1.00 0.00 C ATOM 1332 O ALA A 84 4.906 9.399 -5.859 1.00 0.00 O ATOM 1333 CB ALA A 84 7.812 9.335 -4.410 1.00 0.00 C ATOM 0 H ALA A 84 7.563 7.382 -3.020 1.00 0.00 H new ATOM 0 HA ALA A 84 5.833 9.497 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.710 10.224 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.316 9.598 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.399 8.586 -4.942 1.00 0.00 H new ATOM 1339 N GLN A 85 5.656 7.287 -5.932 1.00 0.00 N ATOM 1340 CA GLN A 85 4.880 6.861 -7.109 1.00 0.00 C ATOM 1341 C GLN A 85 3.411 6.557 -6.766 1.00 0.00 C ATOM 1342 O GLN A 85 2.517 6.884 -7.549 1.00 0.00 O ATOM 1343 CB GLN A 85 5.543 5.636 -7.771 1.00 0.00 C ATOM 1344 CG GLN A 85 7.066 5.823 -7.883 1.00 0.00 C ATOM 1345 CD GLN A 85 7.746 4.900 -8.892 1.00 0.00 C ATOM 1346 OE1 GLN A 85 7.242 4.613 -9.970 1.00 0.00 O ATOM 1347 NE2 GLN A 85 8.932 4.411 -8.591 1.00 0.00 N ATOM 0 H GLN A 85 6.251 6.547 -5.560 1.00 0.00 H new ATOM 0 HA GLN A 85 4.877 7.694 -7.812 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.325 4.741 -7.188 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.119 5.481 -8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.273 6.857 -8.159 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.512 5.660 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.366 4.640 -7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.416 3.803 -9.252 1.00 0.00 H new ATOM 1356 N LEU A 86 3.157 5.991 -5.577 1.00 0.00 N ATOM 1357 CA LEU A 86 1.806 5.788 -5.020 1.00 0.00 C ATOM 1358 C LEU A 86 1.104 7.142 -4.869 1.00 0.00 C ATOM 1359 O LEU A 86 0.143 7.421 -5.587 1.00 0.00 O ATOM 1360 CB LEU A 86 1.901 5.059 -3.653 1.00 0.00 C ATOM 1361 CG LEU A 86 0.630 4.486 -2.991 1.00 0.00 C ATOM 1362 CD1 LEU A 86 -0.387 5.552 -2.583 1.00 0.00 C ATOM 1363 CD2 LEU A 86 -0.066 3.444 -3.860 1.00 0.00 C ATOM 0 H LEU A 86 3.897 5.654 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 86 1.221 5.167 -5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 86 2.603 4.234 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.348 5.756 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 86 1.000 4.008 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.252 5.073 -2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.070 6.236 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.705 6.108 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.953 3.075 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.358 3.897 -4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.615 2.614 -4.049 1.00 0.00 H new ATOM 1375 N LYS A 87 1.631 8.021 -4.001 1.00 0.00 N ATOM 1376 CA LYS A 87 1.011 9.319 -3.678 1.00 0.00 C ATOM 1377 C LYS A 87 0.862 10.242 -4.888 1.00 0.00 C ATOM 1378 O LYS A 87 -0.057 11.047 -4.920 1.00 0.00 O ATOM 1379 CB LYS A 87 1.732 10.055 -2.533 1.00 0.00 C ATOM 1380 CG LYS A 87 3.260 9.998 -2.615 1.00 0.00 C ATOM 1381 CD LYS A 87 3.970 11.141 -1.892 1.00 0.00 C ATOM 1382 CE LYS A 87 4.121 12.365 -2.798 1.00 0.00 C ATOM 1383 NZ LYS A 87 4.838 13.450 -2.087 1.00 0.00 N ATOM 0 H LYS A 87 2.503 7.851 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 87 0.007 9.064 -3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.418 11.099 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.414 9.626 -1.583 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.600 9.051 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.557 10.007 -3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.407 11.414 -0.999 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.953 10.809 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.666 12.091 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.138 12.716 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.244 14.111 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.173 13.960 -1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.601 13.042 -1.510 1.00 0.00 H new ATOM 1397 N ALA A 88 1.727 10.131 -5.891 1.00 0.00 N ATOM 1398 CA ALA A 88 1.648 10.960 -7.098 1.00 0.00 C ATOM 1399 C ALA A 88 0.393 10.655 -7.930 1.00 0.00 C ATOM 1400 O ALA A 88 -0.314 11.577 -8.346 1.00 0.00 O ATOM 1401 CB ALA A 88 2.912 10.749 -7.933 1.00 0.00 C ATOM 0 H ALA A 88 2.502 9.467 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 88 1.575 12.004 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.860 11.362 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.786 11.035 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.991 9.699 -8.214 1.00 0.00 H new ATOM 1407 N LYS A 89 0.099 9.367 -8.157 1.00 0.00 N ATOM 1408 CA LYS A 89 -1.097 8.927 -8.890 1.00 0.00 C ATOM 1409 C LYS A 89 -2.360 8.952 -8.016 1.00 0.00 C ATOM 1410 O LYS A 89 -3.446 9.258 -8.510 1.00 0.00 O ATOM 1411 CB LYS A 89 -0.825 7.537 -9.495 1.00 0.00 C ATOM 1412 CG LYS A 89 -1.711 7.277 -10.723 1.00 0.00 C ATOM 1413 CD LYS A 89 -1.331 5.958 -11.414 1.00 0.00 C ATOM 1414 CE LYS A 89 -2.094 5.745 -12.730 1.00 0.00 C ATOM 1415 NZ LYS A 89 -1.637 6.664 -13.808 1.00 0.00 N ATOM 0 H LYS A 89 0.687 8.598 -7.836 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.298 9.630 -9.698 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.225 7.461 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -1.008 6.769 -8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.757 7.243 -10.419 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.611 8.102 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.259 5.951 -11.613 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.535 5.126 -10.740 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.966 4.713 -13.058 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.160 5.895 -12.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.134 6.436 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.845 7.647 -13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.612 6.553 -13.948 1.00 0.00 H new ATOM 1429 N TYR A 90 -2.214 8.657 -6.722 1.00 0.00 N ATOM 1430 CA TYR A 90 -3.317 8.574 -5.755 1.00 0.00 C ATOM 1431 C TYR A 90 -3.719 9.937 -5.158 1.00 0.00 C ATOM 1432 O TYR A 90 -4.844 10.081 -4.680 1.00 0.00 O ATOM 1433 CB TYR A 90 -2.951 7.580 -4.635 1.00 0.00 C ATOM 1434 CG TYR A 90 -3.139 6.098 -4.957 1.00 0.00 C ATOM 1435 CD1 TYR A 90 -3.021 5.580 -6.267 1.00 0.00 C ATOM 1436 CD2 TYR A 90 -3.402 5.216 -3.893 1.00 0.00 C ATOM 1437 CE1 TYR A 90 -3.175 4.200 -6.509 1.00 0.00 C ATOM 1438 CE2 TYR A 90 -3.525 3.832 -4.128 1.00 0.00 C ATOM 1439 CZ TYR A 90 -3.435 3.320 -5.439 1.00 0.00 C ATOM 1440 OH TYR A 90 -3.603 1.989 -5.676 1.00 0.00 O ATOM 0 H TYR A 90 -1.303 8.464 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.190 8.219 -6.302 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.908 7.741 -4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.551 7.818 -3.757 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.811 6.248 -7.090 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -3.510 5.602 -2.890 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.094 3.816 -7.515 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.689 3.159 -3.299 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.135 1.593 -4.955 1.00 0.00 H new ATOM 1450 N ASP A 91 -2.835 10.937 -5.199 1.00 0.00 N ATOM 1451 CA ASP A 91 -3.051 12.284 -4.652 1.00 0.00 C ATOM 1452 C ASP A 91 -2.296 13.350 -5.486 1.00 0.00 C ATOM 1453 O ASP A 91 -1.291 13.914 -5.035 1.00 0.00 O ATOM 1454 CB ASP A 91 -2.653 12.318 -3.165 1.00 0.00 C ATOM 1455 CG ASP A 91 -3.071 13.635 -2.473 1.00 0.00 C ATOM 1456 OD1 ASP A 91 -3.701 14.519 -3.105 1.00 0.00 O ATOM 1457 OD2 ASP A 91 -2.733 13.805 -1.281 1.00 0.00 O ATOM 0 H ASP A 91 -1.916 10.830 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.111 12.529 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.115 11.477 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.574 12.191 -3.078 1.00 0.00 H new ATOM 1462 N PRO A 92 -2.743 13.630 -6.728 1.00 0.00 N ATOM 1463 CA PRO A 92 -2.048 14.527 -7.662 1.00 0.00 C ATOM 1464 C PRO A 92 -1.992 16.003 -7.213 1.00 0.00 C ATOM 1465 O PRO A 92 -1.260 16.795 -7.809 1.00 0.00 O ATOM 1466 CB PRO A 92 -2.780 14.362 -8.999 1.00 0.00 C ATOM 1467 CG PRO A 92 -4.193 13.964 -8.577 1.00 0.00 C ATOM 1468 CD PRO A 92 -3.945 13.093 -7.349 1.00 0.00 C ATOM 0 HA PRO A 92 -0.995 14.253 -7.725 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.778 15.287 -9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -2.315 13.597 -9.621 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -4.805 14.834 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -4.711 13.416 -9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.792 13.131 -6.663 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.809 12.049 -7.630 1.00 0.00 H new ATOM 1476 N ASP A 93 -2.719 16.376 -6.156 1.00 0.00 N ATOM 1477 CA ASP A 93 -2.684 17.704 -5.525 1.00 0.00 C ATOM 1478 C ASP A 93 -1.900 17.719 -4.192 1.00 0.00 C ATOM 1479 O ASP A 93 -1.687 18.788 -3.614 1.00 0.00 O ATOM 1480 CB ASP A 93 -4.126 18.194 -5.313 1.00 0.00 C ATOM 1481 CG ASP A 93 -4.847 18.472 -6.643 1.00 0.00 C ATOM 1482 OD1 ASP A 93 -4.527 19.492 -7.302 1.00 0.00 O ATOM 1483 OD2 ASP A 93 -5.754 17.693 -7.024 1.00 0.00 O ATOM 0 H ASP A 93 -3.372 15.741 -5.698 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.150 18.378 -6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -4.683 17.446 -4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.114 19.103 -4.711 1.00 0.00 H new ATOM 1488 N GLY A 94 -1.455 16.556 -3.696 1.00 0.00 N ATOM 1489 CA GLY A 94 -0.760 16.397 -2.409 1.00 0.00 C ATOM 1490 C GLY A 94 -1.565 16.873 -1.188 1.00 0.00 C ATOM 1491 O GLY A 94 -0.978 17.368 -0.222 1.00 0.00 O ATOM 0 H GLY A 94 -1.572 15.673 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.507 15.345 -2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.179 16.949 -2.447 1.00 0.00 H new ATOM 1495 N THR A 95 -2.899 16.796 -1.249 1.00 0.00 N ATOM 1496 CA THR A 95 -3.819 17.378 -0.251 1.00 0.00 C ATOM 1497 C THR A 95 -3.895 16.574 1.053 1.00 0.00 C ATOM 1498 O THR A 95 -4.121 17.161 2.114 1.00 0.00 O ATOM 1499 CB THR A 95 -5.222 17.539 -0.866 1.00 0.00 C ATOM 1500 OG1 THR A 95 -5.153 18.443 -1.952 1.00 0.00 O ATOM 1501 CG2 THR A 95 -6.275 18.122 0.080 1.00 0.00 C ATOM 0 H THR A 95 -3.385 16.318 -2.008 1.00 0.00 H new ATOM 0 HA THR A 95 -3.414 18.354 0.019 1.00 0.00 H new ATOM 0 HB THR A 95 -5.522 16.528 -1.142 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.043 18.547 -2.348 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.230 18.198 -0.441 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.385 17.471 0.947 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.961 19.113 0.408 1.00 0.00 H new ATOM 1509 N TYR A 96 -3.672 15.256 1.014 1.00 0.00 N ATOM 1510 CA TYR A 96 -3.807 14.359 2.174 1.00 0.00 C ATOM 1511 C TYR A 96 -2.648 13.365 2.341 1.00 0.00 C ATOM 1512 O TYR A 96 -2.398 12.940 3.468 1.00 0.00 O ATOM 1513 CB TYR A 96 -5.171 13.645 2.162 1.00 0.00 C ATOM 1514 CG TYR A 96 -5.653 13.252 0.785 1.00 0.00 C ATOM 1515 CD1 TYR A 96 -5.109 12.126 0.144 1.00 0.00 C ATOM 1516 CD2 TYR A 96 -6.581 14.072 0.116 1.00 0.00 C ATOM 1517 CE1 TYR A 96 -5.484 11.831 -1.177 1.00 0.00 C ATOM 1518 CE2 TYR A 96 -6.954 13.779 -1.206 1.00 0.00 C ATOM 1519 CZ TYR A 96 -6.406 12.654 -1.861 1.00 0.00 C ATOM 1520 OH TYR A 96 -6.757 12.367 -3.144 1.00 0.00 O ATOM 0 H TYR A 96 -3.388 14.771 0.163 1.00 0.00 H new ATOM 0 HA TYR A 96 -3.756 15.001 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.105 12.750 2.781 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.914 14.297 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.407 11.491 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.007 14.927 0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -5.064 10.969 -1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -7.660 14.414 -1.722 1.00 0.00 H new ATOM 0 HH TYR A 96 -6.154 11.683 -3.503 1.00 0.00 H new ATOM 1530 N SER A 97 -1.871 13.062 1.295 1.00 0.00 N ATOM 1531 CA SER A 97 -0.616 12.295 1.404 1.00 0.00 C ATOM 1532 C SER A 97 0.381 12.936 2.384 1.00 0.00 C ATOM 1533 O SER A 97 1.089 12.248 3.127 1.00 0.00 O ATOM 1534 CB SER A 97 0.032 12.146 0.023 1.00 0.00 C ATOM 1535 OG SER A 97 0.432 13.406 -0.493 1.00 0.00 O ATOM 0 H SER A 97 -2.094 13.342 0.340 1.00 0.00 H new ATOM 0 HA SER A 97 -0.874 11.312 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 97 0.897 11.487 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.672 11.675 -0.663 1.00 0.00 H new ATOM 0 HG SER A 97 0.844 13.283 -1.374 1.00 0.00 H new ATOM 1541 N LYS A 98 0.385 14.275 2.431 1.00 0.00 N ATOM 1542 CA LYS A 98 1.260 15.112 3.266 1.00 0.00 C ATOM 1543 C LYS A 98 1.157 14.814 4.768 1.00 0.00 C ATOM 1544 O LYS A 98 2.170 14.841 5.467 1.00 0.00 O ATOM 1545 CB LYS A 98 0.925 16.594 2.998 1.00 0.00 C ATOM 1546 CG LYS A 98 2.171 17.496 2.968 1.00 0.00 C ATOM 1547 CD LYS A 98 2.488 18.022 1.559 1.00 0.00 C ATOM 1548 CE LYS A 98 2.760 16.902 0.546 1.00 0.00 C ATOM 1549 NZ LYS A 98 3.031 17.468 -0.803 1.00 0.00 N ATOM 0 H LYS A 98 -0.252 14.831 1.861 1.00 0.00 H new ATOM 0 HA LYS A 98 2.288 14.881 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.401 16.676 2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.243 16.952 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.020 18.340 3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.028 16.938 3.344 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.653 18.627 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.357 18.677 1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.612 16.307 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.902 16.231 0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.213 16.694 -1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.207 18.016 -1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.864 18.090 -0.758 1.00 0.00 H new ATOM 1563 N LYS A 99 -0.060 14.499 5.245 1.00 0.00 N ATOM 1564 CA LYS A 99 -0.439 14.329 6.666 1.00 0.00 C ATOM 1565 C LYS A 99 0.434 13.333 7.439 1.00 0.00 C ATOM 1566 O LYS A 99 0.588 13.469 8.653 1.00 0.00 O ATOM 1567 CB LYS A 99 -1.920 13.903 6.747 1.00 0.00 C ATOM 1568 CG LYS A 99 -2.913 15.013 6.345 1.00 0.00 C ATOM 1569 CD LYS A 99 -3.647 15.645 7.541 1.00 0.00 C ATOM 1570 CE LYS A 99 -2.695 16.319 8.539 1.00 0.00 C ATOM 1571 NZ LYS A 99 -3.439 16.908 9.684 1.00 0.00 N ATOM 0 H LYS A 99 -0.851 14.347 4.619 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.279 15.294 7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.075 13.039 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.141 13.583 7.765 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.375 15.793 5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.649 14.599 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.361 16.382 7.174 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.220 14.875 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.975 15.588 8.908 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.127 17.099 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.768 17.356 10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.108 17.622 9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.962 16.159 10.181 1.00 0.00 H new ATOM 1585 N TYR A 100 1.011 12.363 6.734 1.00 0.00 N ATOM 1586 CA TYR A 100 1.864 11.301 7.280 1.00 0.00 C ATOM 1587 C TYR A 100 3.199 11.157 6.531 1.00 0.00 C ATOM 1588 O TYR A 100 4.154 10.649 7.121 1.00 0.00 O ATOM 1589 CB TYR A 100 1.071 9.987 7.341 1.00 0.00 C ATOM 1590 CG TYR A 100 0.201 9.766 6.127 1.00 0.00 C ATOM 1591 CD1 TYR A 100 0.728 9.131 4.992 1.00 0.00 C ATOM 1592 CD2 TYR A 100 -1.104 10.290 6.104 1.00 0.00 C ATOM 1593 CE1 TYR A 100 -0.048 9.036 3.832 1.00 0.00 C ATOM 1594 CE2 TYR A 100 -1.878 10.205 4.936 1.00 0.00 C ATOM 1595 CZ TYR A 100 -1.353 9.574 3.789 1.00 0.00 C ATOM 1596 OH TYR A 100 -2.117 9.420 2.674 1.00 0.00 O ATOM 0 H TYR A 100 0.894 12.289 5.723 1.00 0.00 H new ATOM 0 HA TYR A 100 2.148 11.580 8.295 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.767 9.154 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.446 9.987 8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.726 8.718 5.014 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.512 10.759 6.987 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.356 8.545 2.959 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.874 10.622 4.916 1.00 0.00 H new ATOM 0 HH TYR A 100 -2.987 9.849 2.812 1.00 0.00 H new ATOM 1606 N GLU A 101 3.318 11.655 5.291 1.00 0.00 N ATOM 1607 CA GLU A 101 4.612 11.840 4.613 1.00 0.00 C ATOM 1608 C GLU A 101 5.572 12.747 5.406 1.00 0.00 C ATOM 1609 O GLU A 101 6.766 12.452 5.491 1.00 0.00 O ATOM 1610 CB GLU A 101 4.387 12.388 3.192 1.00 0.00 C ATOM 1611 CG GLU A 101 5.704 12.652 2.445 1.00 0.00 C ATOM 1612 CD GLU A 101 5.486 13.034 0.973 1.00 0.00 C ATOM 1613 OE1 GLU A 101 4.595 13.858 0.654 1.00 0.00 O ATOM 1614 OE2 GLU A 101 6.219 12.510 0.103 1.00 0.00 O ATOM 0 H GLU A 101 2.518 11.942 4.728 1.00 0.00 H new ATOM 0 HA GLU A 101 5.091 10.863 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.787 11.677 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.815 13.314 3.250 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.247 13.453 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.330 11.761 2.496 1.00 0.00 H new ATOM 1621 N ASP A 102 5.056 13.809 6.038 1.00 0.00 N ATOM 1622 CA ASP A 102 5.836 14.788 6.817 1.00 0.00 C ATOM 1623 C ASP A 102 6.686 14.176 7.952 1.00 0.00 C ATOM 1624 O ASP A 102 7.662 14.796 8.384 1.00 0.00 O ATOM 1625 CB ASP A 102 4.907 15.879 7.383 1.00 0.00 C ATOM 1626 CG ASP A 102 4.503 16.976 6.377 1.00 0.00 C ATOM 1627 OD1 ASP A 102 5.213 17.193 5.364 1.00 0.00 O ATOM 1628 OD2 ASP A 102 3.503 17.688 6.645 1.00 0.00 O ATOM 0 H ASP A 102 4.058 14.019 6.023 1.00 0.00 H new ATOM 0 HA ASP A 102 6.549 15.219 6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.002 15.404 7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.400 16.350 8.233 1.00 0.00 H new ATOM 1633 N ARG A 103 6.343 12.970 8.434 1.00 0.00 N ATOM 1634 CA ARG A 103 7.130 12.207 9.423 1.00 0.00 C ATOM 1635 C ARG A 103 8.566 11.945 8.952 1.00 0.00 C ATOM 1636 O ARG A 103 9.481 11.961 9.774 1.00 0.00 O ATOM 1637 CB ARG A 103 6.381 10.897 9.741 1.00 0.00 C ATOM 1638 CG ARG A 103 6.764 10.187 11.059 1.00 0.00 C ATOM 1639 CD ARG A 103 7.838 9.089 10.958 1.00 0.00 C ATOM 1640 NE ARG A 103 9.195 9.602 11.212 1.00 0.00 N ATOM 1641 CZ ARG A 103 10.249 8.910 11.605 1.00 0.00 C ATOM 1642 NH1 ARG A 103 10.274 7.608 11.587 1.00 0.00 N ATOM 1643 NH2 ARG A 103 11.307 9.532 12.037 1.00 0.00 N ATOM 0 H ARG A 103 5.494 12.486 8.142 1.00 0.00 H new ATOM 0 HA ARG A 103 7.227 12.801 10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.313 11.112 9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.546 10.201 8.918 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.112 10.941 11.765 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.863 9.745 11.483 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.612 8.298 11.673 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.802 8.641 9.965 1.00 0.00 H new ATOM 0 HE ARG A 103 9.336 10.602 11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.460 7.087 11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.108 7.110 11.899 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.321 10.551 12.071 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.123 9.000 12.341 1.00 0.00 H new ATOM 1657 N GLU A 104 8.763 11.743 7.647 1.00 0.00 N ATOM 1658 CA GLU A 104 10.053 11.367 7.045 1.00 0.00 C ATOM 1659 C GLU A 104 10.511 12.344 5.949 1.00 0.00 C ATOM 1660 O GLU A 104 11.674 12.752 5.933 1.00 0.00 O ATOM 1661 CB GLU A 104 9.949 9.967 6.425 1.00 0.00 C ATOM 1662 CG GLU A 104 9.821 8.831 7.440 1.00 0.00 C ATOM 1663 CD GLU A 104 11.188 8.435 8.035 1.00 0.00 C ATOM 1664 OE1 GLU A 104 11.786 9.237 8.792 1.00 0.00 O ATOM 1665 OE2 GLU A 104 11.684 7.322 7.738 1.00 0.00 O ATOM 0 H GLU A 104 8.015 11.838 6.960 1.00 0.00 H new ATOM 0 HA GLU A 104 10.788 11.392 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.086 9.942 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.831 9.790 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 104 9.150 9.136 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.369 7.963 6.959 1.00 0.00 H new ATOM 1672 N LYS A 105 9.593 12.734 5.051 1.00 0.00 N ATOM 1673 CA LYS A 105 9.805 13.640 3.903 1.00 0.00 C ATOM 1674 C LYS A 105 11.058 13.313 3.058 1.00 0.00 C ATOM 1675 O LYS A 105 11.785 14.200 2.614 1.00 0.00 O ATOM 1676 CB LYS A 105 9.712 15.092 4.420 1.00 0.00 C ATOM 1677 CG LYS A 105 9.381 16.125 3.329 1.00 0.00 C ATOM 1678 CD LYS A 105 9.127 17.505 3.955 1.00 0.00 C ATOM 1679 CE LYS A 105 8.822 18.582 2.904 1.00 0.00 C ATOM 1680 NZ LYS A 105 10.033 18.985 2.138 1.00 0.00 N ATOM 0 H LYS A 105 8.628 12.409 5.106 1.00 0.00 H new ATOM 0 HA LYS A 105 9.015 13.489 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.949 15.142 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 105 10.660 15.362 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 105 10.204 16.188 2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.501 15.804 2.771 1.00 0.00 H new ATOM 0 HD2 LYS A 105 8.292 17.436 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 105 10.001 17.804 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.066 18.208 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.399 19.457 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.777 19.713 1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 10.746 19.367 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 10.424 18.157 1.645 1.00 0.00 H new ATOM 1694 N GLU A 106 11.308 12.023 2.810 1.00 0.00 N ATOM 1695 CA GLU A 106 12.457 11.513 2.027 1.00 0.00 C ATOM 1696 C GLU A 106 12.142 11.325 0.521 1.00 0.00 C ATOM 1697 O GLU A 106 12.692 10.441 -0.142 1.00 0.00 O ATOM 1698 CB GLU A 106 13.019 10.226 2.664 1.00 0.00 C ATOM 1699 CG GLU A 106 13.578 10.454 4.074 1.00 0.00 C ATOM 1700 CD GLU A 106 14.517 9.306 4.500 1.00 0.00 C ATOM 1701 OE1 GLU A 106 14.077 8.131 4.542 1.00 0.00 O ATOM 1702 OE2 GLU A 106 15.708 9.571 4.794 1.00 0.00 O ATOM 0 H GLU A 106 10.704 11.277 3.155 1.00 0.00 H new ATOM 0 HA GLU A 106 13.229 12.281 2.064 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.231 9.474 2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.807 9.825 2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.120 11.399 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.755 10.536 4.784 1.00 0.00 H new ATOM 1709 N LEU A 107 11.236 12.142 -0.030 1.00 0.00 N ATOM 1710 CA LEU A 107 10.970 12.231 -1.475 1.00 0.00 C ATOM 1711 C LEU A 107 12.199 12.683 -2.301 1.00 0.00 C ATOM 1712 O LEU A 107 13.232 13.075 -1.753 1.00 0.00 O ATOM 1713 CB LEU A 107 9.723 13.113 -1.723 1.00 0.00 C ATOM 1714 CG LEU A 107 9.922 14.646 -1.717 1.00 0.00 C ATOM 1715 CD1 LEU A 107 8.592 15.326 -2.042 1.00 0.00 C ATOM 1716 CD2 LEU A 107 10.413 15.199 -0.379 1.00 0.00 C ATOM 0 H LEU A 107 10.656 12.772 0.524 1.00 0.00 H new ATOM 0 HA LEU A 107 10.758 11.225 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.299 12.832 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.980 12.867 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 107 10.689 14.856 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.726 16.408 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.250 15.005 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.850 15.051 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.529 16.280 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 107 9.688 14.964 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.373 14.747 -0.129 1.00 0.00 H new ATOM 1728 N HIS A 108 12.067 12.665 -3.635 1.00 0.00 N ATOM 1729 CA HIS A 108 13.083 13.062 -4.633 1.00 0.00 C ATOM 1730 C HIS A 108 13.377 14.586 -4.683 1.00 0.00 C ATOM 1731 O HIS A 108 13.258 15.219 -5.737 1.00 0.00 O ATOM 1732 CB HIS A 108 12.671 12.494 -6.008 1.00 0.00 C ATOM 1733 CG HIS A 108 12.459 10.996 -6.023 1.00 0.00 C ATOM 1734 ND1 HIS A 108 13.442 10.032 -5.884 1.00 0.00 N ATOM 1735 CD2 HIS A 108 11.266 10.347 -6.203 1.00 0.00 C ATOM 1736 CE1 HIS A 108 12.859 8.821 -5.983 1.00 0.00 C ATOM 1737 NE2 HIS A 108 11.532 8.987 -6.170 1.00 0.00 N ATOM 0 H HIS A 108 11.201 12.356 -4.076 1.00 0.00 H new ATOM 0 HA HIS A 108 14.036 12.632 -4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.751 12.983 -6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.439 12.748 -6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.300 10.808 -6.344 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.370 7.872 -5.923 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.844 8.240 -6.270 1.00 0.00 H new ATOM 1746 N GLN A 109 13.713 15.182 -3.531 1.00 0.00 N ATOM 1747 CA GLN A 109 14.114 16.589 -3.338 1.00 0.00 C ATOM 1748 C GLN A 109 15.270 17.014 -4.268 1.00 0.00 C ATOM 1749 O GLN A 109 15.171 18.108 -4.868 1.00 0.00 O ATOM 1750 CB GLN A 109 14.436 16.792 -1.842 1.00 0.00 C ATOM 1751 CG GLN A 109 14.597 18.262 -1.406 1.00 0.00 C ATOM 1752 CD GLN A 109 15.964 18.893 -1.714 1.00 0.00 C ATOM 1753 OE1 GLN A 109 17.024 18.298 -1.544 1.00 0.00 O ATOM 1754 NE2 GLN A 109 16.009 20.143 -2.130 1.00 0.00 N ATOM 1755 OXT GLN A 109 16.261 16.256 -4.396 1.00 0.00 O ATOM 0 H GLN A 109 13.713 14.665 -2.652 1.00 0.00 H new ATOM 0 HA GLN A 109 13.291 17.245 -3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.642 16.337 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 109 15.356 16.256 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.823 18.855 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.419 18.327 -0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 109 15.144 20.662 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.909 20.591 -2.302 1.00 0.00 H new TER 1764 GLN A 109