USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 81 LYS NZ :NH3+ 141:sc= -13! (180deg=-17!) USER MOD Set 1.2: A 93 TYR OH : rot 100:sc= -3.91! USER MOD Set 1.3: A 94 HIS :FLIP no HE2:sc= -33! C(o=-58!,f=-50!) USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -2.23 F(o=-4!,f=-2.3) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.041 X(o=-2.3,f=-2.4) USER MOD Set 3.1: A 69 THR OG1 : rot -90:sc= -0.0134 USER MOD Set 3.2: A 70 ASN : amide:sc= -0.353 K(o=-0.37,f=-3.9!) USER MOD Set 4.1: A 62 LYS NZ :NH3+ -141:sc= 1.74 (180deg=-1.49) USER MOD Set 4.2: A 64 TYR OH : rot -150:sc= 0.865 USER MOD Set 5.1: A 39 SER OG : rot -150:sc= -2.35! USER MOD Set 5.2: A 44 THR OG1 : rot -53:sc= -9.82! USER MOD Set 5.3: A 46 THR OG1 : rot -75:sc= -3.82! USER MOD Set 5.4: A 65 HIS : no HD1:sc= -20.8! C(o=-37!,f=-39!) USER MOD Set 6.1: A 30 LYS NZ :NH3+ -139:sc= -6.45! (180deg=-8.05!) USER MOD Set 6.2: A 107 TYR OH : rot 165:sc= 0.169 USER MOD Single : A 4 ASN : amide:sc= -0.047 X(o=-0.047,f=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.241 F(o=-2.9!,f=-0.24) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 150:sc= -4.63! USER MOD Single : A 12 TYR OH : rot 125:sc= -5.93! USER MOD Single : A 13 ASN :FLIP amide:sc= -14.8! C(o=-20!,f=-15!) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.056) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -142:sc= -0.812 (180deg=-3.08!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 99:sc= -7.6! USER MOD Single : A 35 MET CE :methyl -111:sc= -20.7! (180deg=-24.1!) USER MOD Single : A 41 THR OG1 : rot -170:sc= -6.77! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -12:sc= -16! USER MOD Single : A 51 THR OG1 : rot 69:sc= -14.1! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -14.4! C(o=-14!,f=-18!) USER MOD Single : A 60 CYS SG : rot 17:sc= -8.51! USER MOD Single : A 63 HIS : no HD1:sc= -19.8! C(o=-20!,f=-19!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -119:sc= -1.29 (180deg=-3.31!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -15:sc= -2.26! USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -54:sc= -3.36! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -6.97! C(o=-7!,f=-7.8!) USER MOD Single : A 103 THR OG1 : rot 11:sc= -0.427 USER MOD Single : A 110 CYS SG : rot 27:sc= 0.301 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -12.068 11.954 8.214 1.00 0.00 C HETATM 2 O ACE A 3 -12.221 11.323 9.260 1.00 0.00 O HETATM 3 CH3 ACE A 3 -12.728 13.296 8.019 1.00 0.00 C HETATM 0 H1 ACE A 3 -11.965 14.056 7.850 1.00 0.00 H new HETATM 0 H2 ACE A 3 -13.393 13.252 7.157 1.00 0.00 H new HETATM 0 H3 ACE A 3 -13.303 13.551 8.909 1.00 0.00 H new ATOM 7 N ASN A 4 -11.332 11.509 7.201 1.00 0.00 N ATOM 8 CA ASN A 4 -10.644 10.224 7.263 1.00 0.00 C ATOM 9 C ASN A 4 -9.151 10.393 7.004 1.00 0.00 C ATOM 10 O ASN A 4 -8.326 10.149 7.887 1.00 0.00 O ATOM 11 CB ASN A 4 -11.242 9.252 6.244 1.00 0.00 C ATOM 12 CG ASN A 4 -12.587 9.719 5.721 1.00 0.00 C ATOM 13 OD1 ASN A 4 -13.635 9.324 6.231 1.00 0.00 O ATOM 14 ND2 ASN A 4 -12.562 10.564 4.696 1.00 0.00 N ATOM 0 H ASN A 4 -11.196 12.019 6.328 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.777 9.817 8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.551 9.135 5.409 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.355 8.271 6.705 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.435 10.912 4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.669 10.865 4.305 1.00 0.00 H new ATOM 21 N ASN A 5 -8.809 10.813 5.791 1.00 0.00 N ATOM 22 CA ASN A 5 -7.413 11.014 5.416 1.00 0.00 C ATOM 23 C ASN A 5 -6.584 9.771 5.721 1.00 0.00 C ATOM 24 O ASN A 5 -6.746 9.146 6.770 1.00 0.00 O ATOM 25 CB ASN A 5 -6.835 12.222 6.156 1.00 0.00 C ATOM 26 CG ASN A 5 -7.575 13.505 5.837 1.00 0.00 C ATOM 27 OD1 ASN A 5 -8.600 13.404 4.998 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -7.232 14.575 6.339 1.00 0.00 N flip ATOM 0 H ASN A 5 -9.479 11.021 5.050 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.373 11.200 4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -6.876 12.040 7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -5.784 12.337 5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -6.438 14.607 6.979 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -7.741 15.430 6.115 1.00 0.00 H new ATOM 35 N LEU A 6 -5.695 9.417 4.798 1.00 0.00 N ATOM 36 CA LEU A 6 -4.841 8.247 4.969 1.00 0.00 C ATOM 37 C LEU A 6 -3.582 8.594 5.756 1.00 0.00 C ATOM 38 O LEU A 6 -3.249 7.937 6.741 1.00 0.00 O ATOM 39 CB LEU A 6 -4.419 7.684 3.617 1.00 0.00 C ATOM 40 CG LEU A 6 -5.470 6.886 2.850 1.00 0.00 C ATOM 41 CD1 LEU A 6 -4.839 5.624 2.299 1.00 0.00 C ATOM 42 CD2 LEU A 6 -6.649 6.540 3.736 1.00 0.00 C ATOM 0 H LEU A 6 -5.547 9.923 3.925 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.422 7.505 5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.096 8.514 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.550 7.044 3.771 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.841 7.498 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.588 5.052 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.022 5.889 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.453 5.021 3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.381 5.972 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.306 5.942 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.109 7.457 4.104 1.00 0.00 H new ATOM 54 N GLU A 7 -2.871 9.618 5.290 1.00 0.00 N ATOM 55 CA GLU A 7 -1.630 10.048 5.923 1.00 0.00 C ATOM 56 C GLU A 7 -1.520 9.515 7.340 1.00 0.00 C ATOM 57 O GLU A 7 -0.465 9.038 7.758 1.00 0.00 O ATOM 58 CB GLU A 7 -1.529 11.574 5.925 1.00 0.00 C ATOM 59 CG GLU A 7 -2.861 12.272 5.706 1.00 0.00 C ATOM 60 CD GLU A 7 -3.104 12.621 4.250 1.00 0.00 C ATOM 61 OE1 GLU A 7 -2.116 12.762 3.500 1.00 0.00 O ATOM 62 OE2 GLU A 7 -4.284 12.754 3.862 1.00 0.00 O ATOM 0 H GLU A 7 -3.136 10.167 4.472 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.803 9.640 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.109 11.901 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.833 11.885 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.667 11.629 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.893 13.183 6.304 1.00 0.00 H new ATOM 69 N THR A 8 -2.617 9.588 8.067 1.00 0.00 N ATOM 70 CA THR A 8 -2.658 9.103 9.434 1.00 0.00 C ATOM 71 C THR A 8 -1.946 7.761 9.542 1.00 0.00 C ATOM 72 O THR A 8 -1.564 7.334 10.632 1.00 0.00 O ATOM 73 CB THR A 8 -4.112 8.959 9.876 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.289 7.788 10.653 1.00 0.00 O ATOM 75 CG2 THR A 8 -5.070 8.890 8.706 1.00 0.00 C ATOM 0 H THR A 8 -3.497 9.981 7.732 1.00 0.00 H new ATOM 0 HA THR A 8 -2.149 9.817 10.082 1.00 0.00 H new ATOM 0 HB THR A 8 -4.335 9.849 10.464 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.227 7.716 10.927 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.090 8.788 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.988 9.802 8.115 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.822 8.030 8.083 1.00 0.00 H new ATOM 83 N TYR A 9 -1.790 7.089 8.404 1.00 0.00 N ATOM 84 CA TYR A 9 -1.146 5.786 8.370 1.00 0.00 C ATOM 85 C TYR A 9 0.337 5.885 8.057 1.00 0.00 C ATOM 86 O TYR A 9 0.743 6.521 7.083 1.00 0.00 O ATOM 87 CB TYR A 9 -1.846 4.911 7.346 1.00 0.00 C ATOM 88 CG TYR A 9 -3.333 4.925 7.556 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.896 4.221 8.609 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.169 5.674 6.739 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.251 4.253 8.841 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.532 5.716 6.969 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.068 5.004 8.021 1.00 0.00 C ATOM 94 OH TYR A 9 -7.421 5.045 8.257 1.00 0.00 O ATOM 0 H TYR A 9 -2.102 7.429 7.494 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.230 5.341 9.361 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.613 5.263 6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.474 3.889 7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.260 3.638 9.258 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.750 6.231 5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.674 3.693 9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.173 6.303 6.328 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.778 5.909 7.963 1.00 0.00 H new ATOM 104 N GLU A 10 1.136 5.236 8.889 1.00 0.00 N ATOM 105 CA GLU A 10 2.578 5.220 8.717 1.00 0.00 C ATOM 106 C GLU A 10 2.943 4.904 7.278 1.00 0.00 C ATOM 107 O GLU A 10 4.048 5.192 6.829 1.00 0.00 O ATOM 108 CB GLU A 10 3.192 4.158 9.630 1.00 0.00 C ATOM 109 CG GLU A 10 4.320 3.371 8.980 1.00 0.00 C ATOM 110 CD GLU A 10 5.485 3.137 9.921 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.238 2.873 11.117 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.644 3.216 9.463 1.00 0.00 O ATOM 0 H GLU A 10 0.805 4.709 9.697 1.00 0.00 H new ATOM 0 HA GLU A 10 2.966 6.206 8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.570 4.641 10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.411 3.465 9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.937 2.410 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.672 3.908 8.099 1.00 0.00 H new ATOM 119 N TRP A 11 2.019 4.263 6.574 1.00 0.00 N ATOM 120 CA TRP A 11 2.257 3.848 5.205 1.00 0.00 C ATOM 121 C TRP A 11 1.720 4.827 4.158 1.00 0.00 C ATOM 122 O TRP A 11 2.189 4.833 3.021 1.00 0.00 O ATOM 123 CB TRP A 11 1.604 2.494 5.009 1.00 0.00 C ATOM 124 CG TRP A 11 0.239 2.428 5.625 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.123 1.882 6.829 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.956 2.932 5.042 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.486 2.010 7.010 1.00 0.00 N ATOM 128 CE2 TRP A 11 -2.015 2.654 5.923 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.226 3.589 3.851 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.328 3.015 5.643 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.526 3.949 3.568 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.563 3.660 4.460 1.00 0.00 C ATOM 0 H TRP A 11 1.096 4.020 6.933 1.00 0.00 H new ATOM 0 HA TRP A 11 3.336 3.811 5.056 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.530 2.279 3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.236 1.721 5.447 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.556 1.421 7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.012 1.680 7.819 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.430 3.815 3.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.130 2.795 6.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.747 4.462 2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.572 3.953 4.209 1.00 0.00 H new ATOM 143 N TYR A 12 0.723 5.628 4.508 1.00 0.00 N ATOM 144 CA TYR A 12 0.150 6.555 3.535 1.00 0.00 C ATOM 145 C TYR A 12 1.099 7.691 3.177 1.00 0.00 C ATOM 146 O TYR A 12 1.750 8.279 4.041 1.00 0.00 O ATOM 147 CB TYR A 12 -1.167 7.147 4.022 1.00 0.00 C ATOM 148 CG TYR A 12 -1.856 7.958 2.948 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.511 7.329 1.898 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.840 9.348 2.972 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.133 8.059 0.905 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.458 10.086 1.982 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.104 9.436 0.951 1.00 0.00 C ATOM 154 OH TYR A 12 -3.721 10.168 -0.038 1.00 0.00 O ATOM 0 H TYR A 12 0.300 5.658 5.436 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.030 5.959 2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.827 6.343 4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.981 7.779 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.534 6.250 1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.336 9.859 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.640 7.554 0.096 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.436 11.165 2.015 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.361 10.790 0.367 1.00 0.00 H new ATOM 164 N ASN A 13 1.141 8.005 1.885 1.00 0.00 N ATOM 165 CA ASN A 13 1.972 9.085 1.370 1.00 0.00 C ATOM 166 C ASN A 13 1.226 9.827 0.265 1.00 0.00 C ATOM 167 O ASN A 13 1.216 9.398 -0.888 1.00 0.00 O ATOM 168 CB ASN A 13 3.293 8.529 0.840 1.00 0.00 C ATOM 169 CG ASN A 13 4.254 8.193 1.956 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.913 7.172 2.721 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 5.287 8.841 2.125 1.00 0.00 N flip ATOM 0 H ASN A 13 0.601 7.519 1.169 1.00 0.00 H new ATOM 0 HA ASN A 13 2.192 9.782 2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.098 7.635 0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.752 9.259 0.174 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.506 9.622 1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.924 8.597 2.884 1.00 0.00 H new ATOM 178 N LYS A 14 0.587 10.934 0.632 1.00 0.00 N ATOM 179 CA LYS A 14 -0.183 11.729 -0.318 1.00 0.00 C ATOM 180 C LYS A 14 0.686 12.241 -1.465 1.00 0.00 C ATOM 181 O LYS A 14 0.835 11.574 -2.489 1.00 0.00 O ATOM 182 CB LYS A 14 -0.845 12.905 0.400 1.00 0.00 C ATOM 183 CG LYS A 14 -2.352 12.765 0.529 1.00 0.00 C ATOM 184 CD LYS A 14 -3.081 13.843 -0.257 1.00 0.00 C ATOM 185 CE LYS A 14 -3.552 14.970 0.648 1.00 0.00 C ATOM 186 NZ LYS A 14 -2.419 15.615 1.368 1.00 0.00 N ATOM 0 H LYS A 14 0.588 11.301 1.584 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.950 11.083 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.411 13.004 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.618 13.824 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.659 11.782 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.635 12.825 1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.420 14.244 -1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.937 13.405 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.077 15.718 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.267 14.579 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.765 16.451 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.008 14.940 2.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.692 15.905 0.683 1.00 0.00 H new ATOM 200 N SER A 15 1.248 13.432 -1.288 1.00 0.00 N ATOM 201 CA SER A 15 2.097 14.046 -2.308 1.00 0.00 C ATOM 202 C SER A 15 3.036 13.026 -2.948 1.00 0.00 C ATOM 203 O SER A 15 3.671 13.309 -3.964 1.00 0.00 O ATOM 204 CB SER A 15 2.910 15.190 -1.699 1.00 0.00 C ATOM 205 OG SER A 15 2.745 16.385 -2.441 1.00 0.00 O ATOM 0 H SER A 15 1.131 13.995 -0.445 1.00 0.00 H new ATOM 0 HA SER A 15 1.445 14.438 -3.088 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.598 15.353 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.965 14.917 -1.673 1.00 0.00 H new ATOM 0 HG SER A 15 3.273 17.101 -2.030 1.00 0.00 H new ATOM 211 N ILE A 16 3.134 11.848 -2.343 1.00 0.00 N ATOM 212 CA ILE A 16 4.004 10.800 -2.841 1.00 0.00 C ATOM 213 C ILE A 16 3.634 10.344 -4.244 1.00 0.00 C ATOM 214 O ILE A 16 2.517 10.554 -4.716 1.00 0.00 O ATOM 215 CB ILE A 16 3.957 9.578 -1.917 1.00 0.00 C ATOM 216 CG1 ILE A 16 5.319 9.347 -1.290 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.503 8.340 -2.675 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.648 7.883 -1.119 1.00 0.00 C ATOM 0 H ILE A 16 2.616 11.598 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 16 5.006 11.229 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 16 3.233 9.772 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.083 9.816 -1.910 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.353 9.838 -0.317 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.478 7.487 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.506 8.508 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.199 8.136 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.634 7.782 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.903 7.416 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.644 7.393 -2.093 1.00 0.00 H new ATOM 230 N SER A 17 4.596 9.696 -4.889 1.00 0.00 N ATOM 231 CA SER A 17 4.420 9.165 -6.229 1.00 0.00 C ATOM 232 C SER A 17 4.757 7.680 -6.239 1.00 0.00 C ATOM 233 O SER A 17 4.936 7.072 -5.184 1.00 0.00 O ATOM 234 CB SER A 17 5.313 9.914 -7.218 1.00 0.00 C ATOM 235 OG SER A 17 4.624 11.004 -7.806 1.00 0.00 O ATOM 0 H SER A 17 5.521 9.525 -4.494 1.00 0.00 H new ATOM 0 HA SER A 17 3.381 9.299 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.204 10.277 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.650 9.231 -7.997 1.00 0.00 H new ATOM 0 HG SER A 17 5.218 11.467 -8.433 1.00 0.00 H new ATOM 241 N ARG A 18 4.851 7.096 -7.425 1.00 0.00 N ATOM 242 CA ARG A 18 5.176 5.682 -7.543 1.00 0.00 C ATOM 243 C ARG A 18 6.636 5.429 -7.177 1.00 0.00 C ATOM 244 O ARG A 18 6.941 4.564 -6.356 1.00 0.00 O ATOM 245 CB ARG A 18 4.904 5.188 -8.965 1.00 0.00 C ATOM 246 CG ARG A 18 4.813 6.307 -9.990 1.00 0.00 C ATOM 247 CD ARG A 18 4.511 5.767 -11.379 1.00 0.00 C ATOM 248 NE ARG A 18 3.083 5.808 -11.683 1.00 0.00 N ATOM 249 CZ ARG A 18 2.445 4.854 -12.352 1.00 0.00 C ATOM 250 NH1 ARG A 18 3.106 3.789 -12.786 1.00 0.00 N ATOM 251 NH2 ARG A 18 1.145 4.962 -12.588 1.00 0.00 N ATOM 0 H ARG A 18 4.708 7.576 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 18 4.542 5.131 -6.848 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.696 4.500 -9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.972 4.623 -8.972 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.034 7.010 -9.695 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.752 6.861 -10.010 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.057 6.350 -12.121 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.868 4.740 -11.454 1.00 0.00 H new ATOM 0 HE ARG A 18 2.546 6.614 -11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.106 3.701 -12.606 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.614 3.058 -13.299 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.632 5.779 -12.256 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.657 4.228 -13.102 1.00 0.00 H new ATOM 265 N ASP A 19 7.533 6.187 -7.798 1.00 0.00 N ATOM 266 CA ASP A 19 8.965 6.048 -7.552 1.00 0.00 C ATOM 267 C ASP A 19 9.365 6.615 -6.191 1.00 0.00 C ATOM 268 O ASP A 19 10.312 6.137 -5.566 1.00 0.00 O ATOM 269 CB ASP A 19 9.756 6.756 -8.650 1.00 0.00 C ATOM 270 CG ASP A 19 9.759 5.981 -9.953 1.00 0.00 C ATOM 271 OD1 ASP A 19 9.955 4.748 -9.910 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.565 6.606 -11.017 1.00 0.00 O ATOM 0 H ASP A 19 7.293 6.908 -8.479 1.00 0.00 H new ATOM 0 HA ASP A 19 9.196 4.983 -7.556 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.331 7.745 -8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.783 6.904 -8.316 1.00 0.00 H new ATOM 277 N LYS A 20 8.651 7.641 -5.742 1.00 0.00 N ATOM 278 CA LYS A 20 8.950 8.277 -4.464 1.00 0.00 C ATOM 279 C LYS A 20 8.912 7.270 -3.319 1.00 0.00 C ATOM 280 O LYS A 20 9.815 7.232 -2.477 1.00 0.00 O ATOM 281 CB LYS A 20 7.959 9.410 -4.192 1.00 0.00 C ATOM 282 CG LYS A 20 8.406 10.358 -3.093 1.00 0.00 C ATOM 283 CD LYS A 20 8.720 9.612 -1.806 1.00 0.00 C ATOM 284 CE LYS A 20 8.587 10.516 -0.591 1.00 0.00 C ATOM 285 NZ LYS A 20 9.882 10.680 0.124 1.00 0.00 N ATOM 0 H LYS A 20 7.862 8.050 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 20 9.959 8.686 -4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.808 9.977 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.995 8.981 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.289 10.907 -3.421 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.624 11.094 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.046 8.762 -1.704 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.733 9.212 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.219 11.493 -0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.846 10.100 0.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.712 10.699 1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.510 9.884 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.330 11.571 -0.170 1.00 0.00 H new ATOM 299 N ALA A 21 7.862 6.458 -3.283 1.00 0.00 N ATOM 300 CA ALA A 21 7.721 5.467 -2.227 1.00 0.00 C ATOM 301 C ALA A 21 8.878 4.467 -2.251 1.00 0.00 C ATOM 302 O ALA A 21 9.398 4.081 -1.206 1.00 0.00 O ATOM 303 CB ALA A 21 6.376 4.762 -2.314 1.00 0.00 C ATOM 0 H ALA A 21 7.104 6.466 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 21 7.758 5.989 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.298 4.027 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.574 5.494 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.290 4.259 -3.277 1.00 0.00 H new ATOM 309 N GLU A 22 9.310 4.064 -3.437 1.00 0.00 N ATOM 310 CA GLU A 22 10.431 3.140 -3.525 1.00 0.00 C ATOM 311 C GLU A 22 11.652 3.795 -2.889 1.00 0.00 C ATOM 312 O GLU A 22 12.271 3.252 -1.961 1.00 0.00 O ATOM 313 CB GLU A 22 10.726 2.783 -4.985 1.00 0.00 C ATOM 314 CG GLU A 22 9.780 1.744 -5.562 1.00 0.00 C ATOM 315 CD GLU A 22 9.174 2.178 -6.883 1.00 0.00 C ATOM 316 OE1 GLU A 22 8.605 3.288 -6.938 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.269 1.409 -7.862 1.00 0.00 O ATOM 0 H GLU A 22 8.913 4.353 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 22 10.184 2.219 -2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.670 3.688 -5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.748 2.412 -5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.318 0.807 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.981 1.548 -4.847 1.00 0.00 H new ATOM 324 N LYS A 23 11.959 4.995 -3.373 1.00 0.00 N ATOM 325 CA LYS A 23 13.068 5.772 -2.851 1.00 0.00 C ATOM 326 C LYS A 23 12.885 5.980 -1.360 1.00 0.00 C ATOM 327 O LYS A 23 13.798 5.740 -0.569 1.00 0.00 O ATOM 328 CB LYS A 23 13.136 7.128 -3.553 1.00 0.00 C ATOM 329 CG LYS A 23 11.885 7.968 -3.357 1.00 0.00 C ATOM 330 CD LYS A 23 12.097 9.402 -3.817 1.00 0.00 C ATOM 331 CE LYS A 23 11.817 10.393 -2.698 1.00 0.00 C ATOM 332 NZ LYS A 23 13.060 11.063 -2.226 1.00 0.00 N ATOM 0 H LYS A 23 11.449 5.449 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 23 13.997 5.232 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.998 7.680 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.296 6.970 -4.620 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.058 7.525 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.602 7.961 -2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.122 9.526 -4.166 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.444 9.614 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.110 11.145 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.345 9.875 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.826 11.730 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.725 10.348 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.498 11.579 -3.016 1.00 0.00 H new ATOM 346 N LEU A 24 11.689 6.420 -0.982 1.00 0.00 N ATOM 347 CA LEU A 24 11.380 6.647 0.417 1.00 0.00 C ATOM 348 C LEU A 24 11.316 5.318 1.162 1.00 0.00 C ATOM 349 O LEU A 24 11.628 5.253 2.350 1.00 0.00 O ATOM 350 CB LEU A 24 10.077 7.432 0.561 1.00 0.00 C ATOM 351 CG LEU A 24 8.905 6.668 1.169 1.00 0.00 C ATOM 352 CD1 LEU A 24 7.650 7.519 1.090 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.705 5.345 0.446 1.00 0.00 C ATOM 0 H LEU A 24 10.924 6.624 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 24 12.174 7.246 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.271 8.311 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.780 7.791 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 24 9.119 6.452 2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.812 6.973 1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.804 8.446 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.431 7.749 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.865 4.811 0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.498 5.534 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.608 4.741 0.536 1.00 0.00 H new ATOM 365 N LEU A 25 10.951 4.247 0.451 1.00 0.00 N ATOM 366 CA LEU A 25 10.908 2.929 1.063 1.00 0.00 C ATOM 367 C LEU A 25 12.335 2.492 1.352 1.00 0.00 C ATOM 368 O LEU A 25 12.639 1.970 2.424 1.00 0.00 O ATOM 369 CB LEU A 25 10.242 1.907 0.140 1.00 0.00 C ATOM 370 CG LEU A 25 8.804 1.517 0.495 1.00 0.00 C ATOM 371 CD1 LEU A 25 8.503 1.789 1.959 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.815 2.236 -0.409 1.00 0.00 C ATOM 0 H LEU A 25 10.686 4.271 -0.534 1.00 0.00 H new ATOM 0 HA LEU A 25 10.322 2.983 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.249 2.305 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.851 1.003 0.132 1.00 0.00 H new ATOM 0 HG LEU A 25 8.697 0.445 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.475 1.501 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.183 1.210 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.635 2.851 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.799 1.945 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.928 3.313 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.008 1.965 -1.447 1.00 0.00 H new ATOM 384 N LEU A 26 13.211 2.728 0.377 1.00 0.00 N ATOM 385 CA LEU A 26 14.619 2.378 0.514 1.00 0.00 C ATOM 386 C LEU A 26 15.257 3.135 1.672 1.00 0.00 C ATOM 387 O LEU A 26 16.134 2.614 2.361 1.00 0.00 O ATOM 388 CB LEU A 26 15.370 2.697 -0.777 1.00 0.00 C ATOM 389 CG LEU A 26 15.366 1.578 -1.813 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.987 1.444 -2.439 1.00 0.00 C ATOM 391 CD2 LEU A 26 16.418 1.836 -2.881 1.00 0.00 C ATOM 0 H LEU A 26 12.969 3.160 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 26 14.682 1.309 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.932 3.589 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.403 2.940 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 26 15.611 0.641 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.999 0.642 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.256 1.214 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.716 2.381 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.401 1.027 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.205 2.781 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.403 1.885 -2.417 1.00 0.00 H new ATOM 403 N ASP A 27 14.812 4.371 1.878 1.00 0.00 N ATOM 404 CA ASP A 27 15.342 5.205 2.948 1.00 0.00 C ATOM 405 C ASP A 27 15.256 4.488 4.290 1.00 0.00 C ATOM 406 O ASP A 27 16.115 4.664 5.154 1.00 0.00 O ATOM 407 CB ASP A 27 14.581 6.530 3.014 1.00 0.00 C ATOM 408 CG ASP A 27 15.174 7.585 2.102 1.00 0.00 C ATOM 409 OD1 ASP A 27 15.267 7.330 0.882 1.00 0.00 O ATOM 410 OD2 ASP A 27 15.547 8.665 2.607 1.00 0.00 O ATOM 0 H ASP A 27 14.085 4.816 1.317 1.00 0.00 H new ATOM 0 HA ASP A 27 16.391 5.407 2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.540 6.361 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.585 6.897 4.040 1.00 0.00 H new ATOM 415 N THR A 28 14.216 3.680 4.461 1.00 0.00 N ATOM 416 CA THR A 28 14.024 2.941 5.701 1.00 0.00 C ATOM 417 C THR A 28 14.685 1.569 5.632 1.00 0.00 C ATOM 418 O THR A 28 15.488 1.212 6.494 1.00 0.00 O ATOM 419 CB THR A 28 12.535 2.786 5.995 1.00 0.00 C ATOM 420 OG1 THR A 28 12.332 2.419 7.347 1.00 0.00 O ATOM 421 CG2 THR A 28 11.856 1.746 5.129 1.00 0.00 C ATOM 0 H THR A 28 13.495 3.521 3.758 1.00 0.00 H new ATOM 0 HA THR A 28 14.494 3.506 6.506 1.00 0.00 H new ATOM 0 HB THR A 28 12.093 3.758 5.776 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.098 3.214 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.800 1.688 5.391 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.955 2.025 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.324 0.775 5.292 1.00 0.00 H new ATOM 429 N GLY A 29 14.336 0.799 4.608 1.00 0.00 N ATOM 430 CA GLY A 29 14.902 -0.529 4.454 1.00 0.00 C ATOM 431 C GLY A 29 14.241 -1.542 5.368 1.00 0.00 C ATOM 432 O GLY A 29 14.915 -2.239 6.126 1.00 0.00 O ATOM 0 H GLY A 29 13.672 1.070 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.793 -0.851 3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.971 -0.494 4.666 1.00 0.00 H new ATOM 436 N LYS A 30 12.915 -1.619 5.301 1.00 0.00 N ATOM 437 CA LYS A 30 12.159 -2.548 6.133 1.00 0.00 C ATOM 438 C LYS A 30 11.710 -3.761 5.340 1.00 0.00 C ATOM 439 O LYS A 30 11.459 -3.668 4.139 1.00 0.00 O ATOM 440 CB LYS A 30 10.927 -1.861 6.709 1.00 0.00 C ATOM 441 CG LYS A 30 11.201 -0.444 7.139 1.00 0.00 C ATOM 442 CD LYS A 30 9.974 0.438 6.996 1.00 0.00 C ATOM 443 CE LYS A 30 10.128 1.735 7.775 1.00 0.00 C ATOM 444 NZ LYS A 30 8.858 2.136 8.443 1.00 0.00 N ATOM 0 H LYS A 30 12.342 -1.049 4.679 1.00 0.00 H new ATOM 0 HA LYS A 30 12.819 -2.873 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.132 -1.863 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.563 -2.432 7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.534 -0.437 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.015 -0.034 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.806 0.662 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.095 -0.099 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.911 1.618 8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.449 2.528 7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.727 3.164 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.059 1.643 7.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.900 1.881 9.450 1.00 0.00 H new ATOM 458 N GLU A 31 11.572 -4.891 6.019 1.00 0.00 N ATOM 459 CA GLU A 31 11.106 -6.094 5.357 1.00 0.00 C ATOM 460 C GLU A 31 9.597 -5.997 5.184 1.00 0.00 C ATOM 461 O GLU A 31 8.844 -6.092 6.152 1.00 0.00 O ATOM 462 CB GLU A 31 11.470 -7.336 6.172 1.00 0.00 C ATOM 463 CG GLU A 31 10.574 -8.532 5.893 1.00 0.00 C ATOM 464 CD GLU A 31 11.350 -9.740 5.407 1.00 0.00 C ATOM 465 OE1 GLU A 31 12.530 -9.880 5.790 1.00 0.00 O ATOM 466 OE2 GLU A 31 10.777 -10.546 4.643 1.00 0.00 O ATOM 0 H GLU A 31 11.773 -4.997 7.013 1.00 0.00 H new ATOM 0 HA GLU A 31 11.587 -6.184 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.503 -7.610 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.417 -7.092 7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.031 -8.795 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.830 -8.258 5.145 1.00 0.00 H new ATOM 473 N GLY A 32 9.164 -5.785 3.951 1.00 0.00 N ATOM 474 CA GLY A 32 7.750 -5.652 3.681 1.00 0.00 C ATOM 475 C GLY A 32 7.235 -4.267 4.019 1.00 0.00 C ATOM 476 O GLY A 32 6.065 -4.102 4.366 1.00 0.00 O ATOM 0 H GLY A 32 9.767 -5.703 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.561 -5.862 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.199 -6.394 4.258 1.00 0.00 H new ATOM 480 N ALA A 33 8.106 -3.261 3.906 1.00 0.00 N ATOM 481 CA ALA A 33 7.713 -1.893 4.192 1.00 0.00 C ATOM 482 C ALA A 33 6.475 -1.550 3.394 1.00 0.00 C ATOM 483 O ALA A 33 6.401 -1.827 2.194 1.00 0.00 O ATOM 484 CB ALA A 33 8.839 -0.929 3.888 1.00 0.00 C ATOM 0 H ALA A 33 9.079 -3.374 3.620 1.00 0.00 H new ATOM 0 HA ALA A 33 7.488 -1.803 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.517 0.088 4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.706 -1.178 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.106 -1.002 2.834 1.00 0.00 H new ATOM 490 N PHE A 34 5.491 -0.984 4.070 1.00 0.00 N ATOM 491 CA PHE A 34 4.235 -0.649 3.422 1.00 0.00 C ATOM 492 C PHE A 34 3.951 0.839 3.401 1.00 0.00 C ATOM 493 O PHE A 34 4.168 1.548 4.377 1.00 0.00 O ATOM 494 CB PHE A 34 3.081 -1.348 4.118 1.00 0.00 C ATOM 495 CG PHE A 34 1.765 -0.680 3.824 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.341 -0.531 2.518 1.00 0.00 C ATOM 497 CD2 PHE A 34 0.964 -0.186 4.834 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.149 0.096 2.225 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.217 0.438 4.545 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.630 0.585 3.243 1.00 0.00 C ATOM 0 H PHE A 34 5.536 -0.748 5.061 1.00 0.00 H new ATOM 0 HA PHE A 34 4.331 -0.986 2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.040 -2.389 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.254 -1.352 5.194 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.953 -0.912 1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.274 -0.294 5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.170 0.202 1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.831 0.819 5.347 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.563 1.083 3.022 1.00 0.00 H new ATOM 510 N MET A 35 3.421 1.293 2.279 1.00 0.00 N ATOM 511 CA MET A 35 3.055 2.685 2.118 1.00 0.00 C ATOM 512 C MET A 35 1.829 2.806 1.240 1.00 0.00 C ATOM 513 O MET A 35 1.353 1.818 0.684 1.00 0.00 O ATOM 514 CB MET A 35 4.190 3.483 1.504 1.00 0.00 C ATOM 515 CG MET A 35 4.187 4.938 1.906 1.00 0.00 C ATOM 516 SD MET A 35 5.656 5.791 1.342 1.00 0.00 S ATOM 517 CE MET A 35 6.806 5.225 2.582 1.00 0.00 C ATOM 0 H MET A 35 3.234 0.712 1.462 1.00 0.00 H new ATOM 0 HA MET A 35 2.839 3.087 3.108 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.139 3.035 1.797 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.127 3.414 0.418 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.304 5.426 1.495 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.117 5.014 2.991 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.084 6.058 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.340 4.442 3.180 1.00 0.00 H new ATOM 0 HE3 MET A 35 7.698 4.829 2.097 1.00 0.00 H new ATOM 527 N VAL A 36 1.336 4.022 1.099 1.00 0.00 N ATOM 528 CA VAL A 36 0.168 4.266 0.267 1.00 0.00 C ATOM 529 C VAL A 36 0.198 5.646 -0.355 1.00 0.00 C ATOM 530 O VAL A 36 0.761 6.585 0.207 1.00 0.00 O ATOM 531 CB VAL A 36 -1.144 4.091 1.048 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.340 4.474 0.191 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.267 2.659 1.535 1.00 0.00 C ATOM 0 H VAL A 36 1.722 4.854 1.546 1.00 0.00 H new ATOM 0 HA VAL A 36 0.205 3.519 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.128 4.756 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.257 4.342 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.250 5.517 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.372 3.839 -0.694 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.199 2.541 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.264 1.983 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.426 2.423 2.187 1.00 0.00 H new ATOM 543 N ARG A 37 -0.408 5.758 -1.526 1.00 0.00 N ATOM 544 CA ARG A 37 -0.449 7.021 -2.238 1.00 0.00 C ATOM 545 C ARG A 37 -1.743 7.150 -3.038 1.00 0.00 C ATOM 546 O ARG A 37 -2.073 6.291 -3.856 1.00 0.00 O ATOM 547 CB ARG A 37 0.785 7.143 -3.134 1.00 0.00 C ATOM 548 CG ARG A 37 0.529 6.858 -4.601 1.00 0.00 C ATOM 549 CD ARG A 37 1.620 5.971 -5.177 1.00 0.00 C ATOM 550 NE ARG A 37 1.605 5.967 -6.638 1.00 0.00 N ATOM 551 CZ ARG A 37 2.052 4.958 -7.378 1.00 0.00 C ATOM 552 NH1 ARG A 37 2.565 3.883 -6.796 1.00 0.00 N ATOM 553 NH2 ARG A 37 1.989 5.025 -8.700 1.00 0.00 N ATOM 0 H ARG A 37 -0.878 4.988 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.434 7.841 -1.520 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.190 8.151 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.550 6.456 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.440 6.373 -4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.485 7.795 -5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.592 6.316 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.491 4.953 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 37 1.230 6.786 -7.117 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.617 3.830 -5.779 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.908 3.109 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.597 5.852 -9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.333 4.250 -9.267 1.00 0.00 H new ATOM 567 N ASP A 38 -2.481 8.222 -2.770 1.00 0.00 N ATOM 568 CA ASP A 38 -3.756 8.473 -3.433 1.00 0.00 C ATOM 569 C ASP A 38 -3.591 8.631 -4.941 1.00 0.00 C ATOM 570 O ASP A 38 -2.565 9.116 -5.419 1.00 0.00 O ATOM 571 CB ASP A 38 -4.419 9.721 -2.851 1.00 0.00 C ATOM 572 CG ASP A 38 -5.827 9.927 -3.374 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.205 9.240 -4.346 1.00 0.00 O ATOM 574 OD2 ASP A 38 -6.552 10.775 -2.812 1.00 0.00 O ATOM 0 H ASP A 38 -2.215 8.937 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.392 7.606 -3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.447 9.641 -1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.814 10.595 -3.091 1.00 0.00 H new ATOM 579 N SER A 39 -4.616 8.219 -5.680 1.00 0.00 N ATOM 580 CA SER A 39 -4.606 8.309 -7.134 1.00 0.00 C ATOM 581 C SER A 39 -5.893 8.953 -7.644 1.00 0.00 C ATOM 582 O SER A 39 -6.992 8.495 -7.333 1.00 0.00 O ATOM 583 CB SER A 39 -4.441 6.918 -7.748 1.00 0.00 C ATOM 584 OG SER A 39 -3.113 6.448 -7.599 1.00 0.00 O ATOM 0 H SER A 39 -5.469 7.817 -5.292 1.00 0.00 H new ATOM 0 HA SER A 39 -3.763 8.933 -7.432 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.132 6.223 -7.271 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.702 6.951 -8.806 1.00 0.00 H new ATOM 0 HG SER A 39 -2.891 5.853 -8.345 1.00 0.00 H new ATOM 590 N ARG A 40 -5.751 10.015 -8.431 1.00 0.00 N ATOM 591 CA ARG A 40 -6.905 10.718 -8.984 1.00 0.00 C ATOM 592 C ARG A 40 -7.865 9.739 -9.654 1.00 0.00 C ATOM 593 O ARG A 40 -9.008 10.079 -9.954 1.00 0.00 O ATOM 594 CB ARG A 40 -6.453 11.778 -9.990 1.00 0.00 C ATOM 595 CG ARG A 40 -4.961 11.752 -10.277 1.00 0.00 C ATOM 596 CD ARG A 40 -4.557 12.864 -11.230 1.00 0.00 C ATOM 597 NE ARG A 40 -3.543 13.740 -10.650 1.00 0.00 N ATOM 598 CZ ARG A 40 -3.803 14.653 -9.720 1.00 0.00 C ATOM 599 NH1 ARG A 40 -5.040 14.807 -9.268 1.00 0.00 N ATOM 600 NH2 ARG A 40 -2.827 15.411 -9.241 1.00 0.00 N ATOM 0 H ARG A 40 -4.849 10.408 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.427 11.210 -8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.996 11.634 -10.924 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.724 12.764 -9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.408 11.853 -9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.689 10.787 -10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.175 12.429 -12.154 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.436 13.452 -11.494 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.581 13.646 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.793 14.224 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.239 15.508 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.874 15.294 -9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.029 16.111 -8.527 1.00 0.00 H new ATOM 614 N THR A 41 -7.385 8.522 -9.884 1.00 0.00 N ATOM 615 CA THR A 41 -8.186 7.481 -10.517 1.00 0.00 C ATOM 616 C THR A 41 -9.588 7.416 -9.902 1.00 0.00 C ATOM 617 O THR A 41 -10.002 8.329 -9.189 1.00 0.00 O ATOM 618 CB THR A 41 -7.473 6.135 -10.376 1.00 0.00 C ATOM 619 OG1 THR A 41 -7.676 5.332 -11.525 1.00 0.00 O ATOM 620 CG2 THR A 41 -7.917 5.345 -9.166 1.00 0.00 C ATOM 0 H THR A 41 -6.438 8.231 -9.640 1.00 0.00 H new ATOM 0 HA THR A 41 -8.301 7.719 -11.575 1.00 0.00 H new ATOM 0 HB THR A 41 -6.418 6.380 -10.256 1.00 0.00 H new ATOM 0 HG1 THR A 41 -7.349 4.425 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.372 4.402 -9.127 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.714 5.919 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.986 5.143 -9.235 1.00 0.00 H new ATOM 628 N PRO A 42 -10.344 6.336 -10.179 1.00 0.00 N ATOM 629 CA PRO A 42 -11.707 6.159 -9.661 1.00 0.00 C ATOM 630 C PRO A 42 -11.861 6.533 -8.186 1.00 0.00 C ATOM 631 O PRO A 42 -12.967 6.493 -7.646 1.00 0.00 O ATOM 632 CB PRO A 42 -11.957 4.669 -9.868 1.00 0.00 C ATOM 633 CG PRO A 42 -11.169 4.336 -11.086 1.00 0.00 C ATOM 634 CD PRO A 42 -9.937 5.201 -11.033 1.00 0.00 C ATOM 0 HA PRO A 42 -12.416 6.813 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.627 4.086 -9.008 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.017 4.458 -10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.903 3.279 -11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.746 4.533 -11.990 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.089 4.664 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.638 5.534 -12.027 1.00 0.00 H new ATOM 642 N GLY A 43 -10.762 6.902 -7.534 1.00 0.00 N ATOM 643 CA GLY A 43 -10.832 7.278 -6.134 1.00 0.00 C ATOM 644 C GLY A 43 -10.119 6.306 -5.221 1.00 0.00 C ATOM 645 O GLY A 43 -10.341 6.304 -4.010 1.00 0.00 O ATOM 0 H GLY A 43 -9.830 6.947 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.398 8.270 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.878 7.348 -5.835 1.00 0.00 H new ATOM 649 N THR A 44 -9.263 5.478 -5.799 1.00 0.00 N ATOM 650 CA THR A 44 -8.517 4.496 -5.027 1.00 0.00 C ATOM 651 C THR A 44 -7.228 5.089 -4.476 1.00 0.00 C ATOM 652 O THR A 44 -6.853 6.214 -4.806 1.00 0.00 O ATOM 653 CB THR A 44 -8.176 3.282 -5.889 1.00 0.00 C ATOM 654 OG1 THR A 44 -6.833 2.883 -5.678 1.00 0.00 O ATOM 655 CG2 THR A 44 -8.351 3.520 -7.371 1.00 0.00 C ATOM 0 H THR A 44 -9.067 5.466 -6.800 1.00 0.00 H new ATOM 0 HA THR A 44 -9.150 4.190 -4.194 1.00 0.00 H new ATOM 0 HB THR A 44 -8.879 2.508 -5.580 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.239 3.652 -5.808 1.00 0.00 H new ATOM 0 HG21 THR A 44 -8.090 2.614 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.389 3.783 -7.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.701 4.335 -7.688 1.00 0.00 H new ATOM 663 N TYR A 45 -6.545 4.305 -3.653 1.00 0.00 N ATOM 664 CA TYR A 45 -5.282 4.721 -3.067 1.00 0.00 C ATOM 665 C TYR A 45 -4.173 3.766 -3.481 1.00 0.00 C ATOM 666 O TYR A 45 -4.432 2.614 -3.832 1.00 0.00 O ATOM 667 CB TYR A 45 -5.379 4.768 -1.545 1.00 0.00 C ATOM 668 CG TYR A 45 -6.504 5.636 -1.038 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.823 5.235 -1.178 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.246 6.853 -0.421 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.860 6.022 -0.719 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.278 7.647 0.043 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.584 7.227 -0.108 1.00 0.00 C ATOM 674 OH TYR A 45 -9.614 8.014 0.351 1.00 0.00 O ATOM 0 H TYR A 45 -6.849 3.372 -3.376 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.051 5.722 -3.432 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.514 3.755 -1.166 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.436 5.136 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.043 4.291 -1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.225 7.184 -0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.883 5.696 -0.838 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.063 8.591 0.521 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.248 8.828 0.756 1.00 0.00 H new ATOM 684 N THR A 46 -2.938 4.241 -3.432 1.00 0.00 N ATOM 685 CA THR A 46 -1.798 3.414 -3.797 1.00 0.00 C ATOM 686 C THR A 46 -1.114 2.874 -2.547 1.00 0.00 C ATOM 687 O THR A 46 -1.147 3.515 -1.503 1.00 0.00 O ATOM 688 CB THR A 46 -0.801 4.209 -4.633 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.471 4.990 -5.607 1.00 0.00 O ATOM 690 CG2 THR A 46 0.197 3.330 -5.352 1.00 0.00 C ATOM 0 H THR A 46 -2.700 5.190 -3.145 1.00 0.00 H new ATOM 0 HA THR A 46 -2.161 2.577 -4.392 1.00 0.00 H new ATOM 0 HB THR A 46 -0.265 4.843 -3.927 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.776 4.412 -6.337 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.880 3.952 -5.930 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.763 2.751 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.332 2.652 -6.022 1.00 0.00 H new ATOM 698 N VAL A 47 -0.500 1.698 -2.654 1.00 0.00 N ATOM 699 CA VAL A 47 0.182 1.088 -1.514 1.00 0.00 C ATOM 700 C VAL A 47 1.625 0.723 -1.839 1.00 0.00 C ATOM 701 O VAL A 47 1.878 -0.168 -2.649 1.00 0.00 O ATOM 702 CB VAL A 47 -0.532 -0.192 -1.034 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.402 -1.024 -0.163 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.806 0.150 -0.279 1.00 0.00 C ATOM 0 H VAL A 47 -0.460 1.150 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 47 0.162 1.841 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.807 -0.781 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.115 -1.924 0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.284 -1.304 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.706 -0.440 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.292 -0.769 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.561 0.762 0.589 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.480 0.703 -0.934 1.00 0.00 H new ATOM 714 N SER A 48 2.572 1.388 -1.184 1.00 0.00 N ATOM 715 CA SER A 48 3.982 1.084 -1.399 1.00 0.00 C ATOM 716 C SER A 48 4.409 -0.055 -0.482 1.00 0.00 C ATOM 717 O SER A 48 4.481 0.111 0.736 1.00 0.00 O ATOM 718 CB SER A 48 4.888 2.295 -1.143 1.00 0.00 C ATOM 719 OG SER A 48 5.533 2.183 0.114 1.00 0.00 O ATOM 0 H SER A 48 2.392 2.131 -0.509 1.00 0.00 H new ATOM 0 HA SER A 48 4.091 0.798 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.634 2.371 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.297 3.210 -1.173 1.00 0.00 H new ATOM 0 HG SER A 48 5.121 1.459 0.630 1.00 0.00 H new ATOM 725 N VAL A 49 4.694 -1.206 -1.072 1.00 0.00 N ATOM 726 CA VAL A 49 5.123 -2.369 -0.309 1.00 0.00 C ATOM 727 C VAL A 49 6.505 -2.810 -0.766 1.00 0.00 C ATOM 728 O VAL A 49 6.673 -3.273 -1.895 1.00 0.00 O ATOM 729 CB VAL A 49 4.138 -3.542 -0.466 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.732 -3.114 -0.076 1.00 0.00 C ATOM 731 CG2 VAL A 49 4.164 -4.074 -1.891 1.00 0.00 C ATOM 0 H VAL A 49 4.636 -1.360 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 49 5.152 -2.082 0.742 1.00 0.00 H new ATOM 0 HB VAL A 49 4.448 -4.345 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.050 -3.956 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.727 -2.785 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.410 -2.294 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.462 -4.903 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.880 -3.280 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.169 -4.422 -2.131 1.00 0.00 H new ATOM 741 N PHE A 50 7.502 -2.647 0.098 1.00 0.00 N ATOM 742 CA PHE A 50 8.864 -3.021 -0.265 1.00 0.00 C ATOM 743 C PHE A 50 9.552 -3.835 0.821 1.00 0.00 C ATOM 744 O PHE A 50 9.343 -3.618 2.022 1.00 0.00 O ATOM 745 CB PHE A 50 9.684 -1.779 -0.617 1.00 0.00 C ATOM 746 CG PHE A 50 10.687 -1.364 0.418 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.278 -0.796 1.609 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.043 -1.519 0.182 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.205 -0.393 2.554 1.00 0.00 C ATOM 750 CE2 PHE A 50 12.974 -1.116 1.118 1.00 0.00 C ATOM 751 CZ PHE A 50 12.553 -0.552 2.307 1.00 0.00 C ATOM 0 H PHE A 50 7.396 -2.265 1.038 1.00 0.00 H new ATOM 0 HA PHE A 50 8.799 -3.662 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.208 -1.963 -1.555 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.000 -0.948 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.224 -0.665 1.805 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.376 -1.961 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.874 0.045 3.484 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.029 -1.241 0.922 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.278 -0.236 3.042 1.00 0.00 H new ATOM 761 N THR A 51 10.371 -4.784 0.375 1.00 0.00 N ATOM 762 CA THR A 51 11.103 -5.661 1.280 1.00 0.00 C ATOM 763 C THR A 51 12.507 -5.952 0.769 1.00 0.00 C ATOM 764 O THR A 51 12.692 -6.801 -0.103 1.00 0.00 O ATOM 765 CB THR A 51 10.356 -6.984 1.435 1.00 0.00 C ATOM 766 OG1 THR A 51 9.125 -6.801 2.107 1.00 0.00 O ATOM 767 CG2 THR A 51 11.148 -8.029 2.187 1.00 0.00 C ATOM 0 H THR A 51 10.544 -4.965 -0.614 1.00 0.00 H new ATOM 0 HA THR A 51 11.180 -5.150 2.240 1.00 0.00 H new ATOM 0 HB THR A 51 10.189 -7.339 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.510 -6.300 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.562 -8.945 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 51 12.076 -8.235 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.378 -7.661 3.187 1.00 0.00 H new ATOM 775 N LYS A 52 13.498 -5.272 1.333 1.00 0.00 N ATOM 776 CA LYS A 52 14.873 -5.501 0.946 1.00 0.00 C ATOM 777 C LYS A 52 15.061 -6.949 0.499 1.00 0.00 C ATOM 778 O LYS A 52 15.043 -7.876 1.309 1.00 0.00 O ATOM 779 CB LYS A 52 15.816 -5.183 2.109 1.00 0.00 C ATOM 780 CG LYS A 52 16.235 -3.724 2.171 1.00 0.00 C ATOM 781 CD LYS A 52 17.739 -3.583 2.347 1.00 0.00 C ATOM 782 CE LYS A 52 18.209 -2.178 2.005 1.00 0.00 C ATOM 783 NZ LYS A 52 19.459 -2.195 1.196 1.00 0.00 N ATOM 0 H LYS A 52 13.370 -4.563 2.055 1.00 0.00 H new ATOM 0 HA LYS A 52 15.113 -4.841 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.328 -5.452 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.707 -5.805 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.925 -3.216 1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.723 -3.232 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.010 -3.818 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.251 -4.304 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.426 -1.657 1.454 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.379 -1.617 2.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.748 -1.219 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.213 -2.670 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.290 -2.708 0.307 1.00 0.00 H new ATOM 797 N ALA A 53 15.242 -7.118 -0.805 1.00 0.00 N ATOM 798 CA ALA A 53 15.437 -8.436 -1.384 1.00 0.00 C ATOM 799 C ALA A 53 15.888 -8.357 -2.837 1.00 0.00 C ATOM 800 O ALA A 53 16.196 -7.281 -3.348 1.00 0.00 O ATOM 801 CB ALA A 53 14.155 -9.243 -1.267 1.00 0.00 C ATOM 0 H ALA A 53 15.257 -6.355 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 53 16.231 -8.934 -0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.306 -10.231 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.885 -9.347 -0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.353 -8.731 -1.798 1.00 0.00 H new ATOM 807 N ILE A 54 15.923 -9.512 -3.496 1.00 0.00 N ATOM 808 CA ILE A 54 16.336 -9.590 -4.892 1.00 0.00 C ATOM 809 C ILE A 54 17.833 -9.862 -5.004 1.00 0.00 C ATOM 810 O ILE A 54 18.653 -8.965 -4.805 1.00 0.00 O ATOM 811 CB ILE A 54 15.999 -8.297 -5.656 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.516 -7.959 -5.502 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.366 -8.441 -7.125 1.00 0.00 C ATOM 814 CD1 ILE A 54 14.258 -6.758 -4.618 1.00 0.00 C ATOM 0 H ILE A 54 15.669 -10.409 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 54 15.783 -10.416 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 54 16.583 -7.479 -5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.090 -7.772 -6.488 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.996 -8.823 -5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.122 -7.519 -7.653 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.434 -8.639 -7.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 15.805 -9.268 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 54 13.185 -6.577 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 54 14.654 -6.949 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.749 -5.882 -5.042 1.00 0.00 H new ATOM 826 N ILE A 55 18.181 -11.104 -5.325 1.00 0.00 N ATOM 827 CA ILE A 55 19.579 -11.492 -5.463 1.00 0.00 C ATOM 828 C ILE A 55 20.160 -10.992 -6.782 1.00 0.00 C ATOM 829 O ILE A 55 21.355 -10.714 -6.879 1.00 0.00 O ATOM 830 CB ILE A 55 19.747 -13.022 -5.389 1.00 0.00 C ATOM 831 CG1 ILE A 55 19.364 -13.533 -3.999 1.00 0.00 C ATOM 832 CG2 ILE A 55 21.176 -13.415 -5.729 1.00 0.00 C ATOM 833 CD1 ILE A 55 20.423 -13.278 -2.949 1.00 0.00 C ATOM 0 H ILE A 55 17.515 -11.858 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 55 20.118 -11.034 -4.634 1.00 0.00 H new ATOM 0 HB ILE A 55 19.081 -13.481 -6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.434 -13.056 -3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.170 -14.604 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 55 21.279 -14.499 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.415 -13.080 -6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 55 21.860 -12.948 -5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.084 -13.666 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 55 21.348 -13.778 -3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 55 20.601 -12.206 -2.864 1.00 0.00 H new ATOM 845 N SER A 56 19.305 -10.881 -7.793 1.00 0.00 N ATOM 846 CA SER A 56 19.734 -10.413 -9.106 1.00 0.00 C ATOM 847 C SER A 56 19.681 -8.891 -9.184 1.00 0.00 C ATOM 848 O SER A 56 20.195 -8.289 -10.128 1.00 0.00 O ATOM 849 CB SER A 56 18.854 -11.023 -10.199 1.00 0.00 C ATOM 850 OG SER A 56 19.600 -11.262 -11.380 1.00 0.00 O ATOM 0 H SER A 56 18.313 -11.108 -7.729 1.00 0.00 H new ATOM 0 HA SER A 56 20.765 -10.731 -9.260 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.422 -11.958 -9.843 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.024 -10.352 -10.419 1.00 0.00 H new ATOM 0 HG SER A 56 19.016 -11.653 -12.063 1.00 0.00 H new ATOM 856 N GLU A 57 19.055 -8.274 -8.188 1.00 0.00 N ATOM 857 CA GLU A 57 18.935 -6.822 -8.142 1.00 0.00 C ATOM 858 C GLU A 57 18.549 -6.352 -6.745 1.00 0.00 C ATOM 859 O GLU A 57 18.803 -7.037 -5.756 1.00 0.00 O ATOM 860 CB GLU A 57 17.899 -6.345 -9.159 1.00 0.00 C ATOM 861 CG GLU A 57 17.048 -7.470 -9.708 1.00 0.00 C ATOM 862 CD GLU A 57 16.617 -7.232 -11.142 1.00 0.00 C ATOM 863 OE1 GLU A 57 17.485 -6.895 -11.975 1.00 0.00 O ATOM 864 OE2 GLU A 57 15.411 -7.382 -11.433 1.00 0.00 O ATOM 0 H GLU A 57 18.622 -8.758 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 57 19.905 -6.393 -8.393 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.252 -5.603 -8.690 1.00 0.00 H new ATOM 0 HB3 GLU A 57 18.410 -5.847 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.607 -8.404 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.164 -7.590 -9.082 1.00 0.00 H new ATOM 871 N ASN A 58 17.928 -5.180 -6.671 1.00 0.00 N ATOM 872 CA ASN A 58 17.502 -4.619 -5.396 1.00 0.00 C ATOM 873 C ASN A 58 17.236 -3.124 -5.528 1.00 0.00 C ATOM 874 O ASN A 58 17.762 -2.470 -6.429 1.00 0.00 O ATOM 875 CB ASN A 58 18.565 -4.867 -4.324 1.00 0.00 C ATOM 876 CG ASN A 58 18.127 -5.894 -3.298 1.00 0.00 C ATOM 877 OD1 ASN A 58 17.394 -5.579 -2.362 1.00 0.00 O ATOM 878 ND2 ASN A 58 18.577 -7.131 -3.471 1.00 0.00 N ATOM 0 H ASN A 58 17.709 -4.600 -7.481 1.00 0.00 H new ATOM 0 HA ASN A 58 16.577 -5.113 -5.099 1.00 0.00 H new ATOM 0 HB2 ASN A 58 19.485 -5.204 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 58 18.793 -3.928 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 58 18.316 -7.865 -2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 58 19.183 -7.347 -4.262 1.00 0.00 H new ATOM 885 N PRO A 59 16.413 -2.562 -4.632 1.00 0.00 N ATOM 886 CA PRO A 59 15.770 -3.307 -3.549 1.00 0.00 C ATOM 887 C PRO A 59 14.464 -3.960 -3.996 1.00 0.00 C ATOM 888 O PRO A 59 14.362 -4.438 -5.126 1.00 0.00 O ATOM 889 CB PRO A 59 15.513 -2.211 -2.522 1.00 0.00 C ATOM 890 CG PRO A 59 15.216 -1.009 -3.348 1.00 0.00 C ATOM 891 CD PRO A 59 16.041 -1.137 -4.604 1.00 0.00 C ATOM 0 HA PRO A 59 16.374 -4.135 -3.178 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.678 -2.463 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.381 -2.052 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 59 14.154 -0.955 -3.586 1.00 0.00 H new ATOM 0 HG3 PRO A 59 15.469 -0.096 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.470 -0.854 -5.489 1.00 0.00 H new ATOM 0 HD3 PRO A 59 16.920 -0.494 -4.573 1.00 0.00 H new ATOM 899 N CYS A 60 13.466 -3.986 -3.112 1.00 0.00 N ATOM 900 CA CYS A 60 12.185 -4.595 -3.447 1.00 0.00 C ATOM 901 C CYS A 60 11.001 -3.751 -2.976 1.00 0.00 C ATOM 902 O CYS A 60 10.454 -3.989 -1.900 1.00 0.00 O ATOM 903 CB CYS A 60 12.086 -5.993 -2.829 1.00 0.00 C ATOM 904 SG CYS A 60 11.612 -7.285 -4.000 1.00 0.00 S ATOM 0 H CYS A 60 13.521 -3.597 -2.171 1.00 0.00 H new ATOM 0 HA CYS A 60 12.139 -4.661 -4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.048 -6.253 -2.388 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.359 -5.969 -2.017 1.00 0.00 H new ATOM 0 HG CYS A 60 11.787 -6.855 -5.214 1.00 0.00 H new ATOM 910 N ILE A 61 10.577 -2.795 -3.804 1.00 0.00 N ATOM 911 CA ILE A 61 9.420 -1.966 -3.475 1.00 0.00 C ATOM 912 C ILE A 61 8.320 -2.191 -4.496 1.00 0.00 C ATOM 913 O ILE A 61 8.572 -2.217 -5.701 1.00 0.00 O ATOM 914 CB ILE A 61 9.721 -0.449 -3.423 1.00 0.00 C ATOM 915 CG1 ILE A 61 10.906 -0.128 -2.510 1.00 0.00 C ATOM 916 CG2 ILE A 61 8.481 0.296 -2.943 1.00 0.00 C ATOM 917 CD1 ILE A 61 12.144 -0.938 -2.797 1.00 0.00 C ATOM 0 H ILE A 61 11.014 -2.578 -4.700 1.00 0.00 H new ATOM 0 HA ILE A 61 9.117 -2.272 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 61 9.989 -0.126 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 61 11.148 0.931 -2.606 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.608 -0.295 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.691 1.365 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.656 0.112 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.208 -0.055 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.936 -0.649 -2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.922 -1.998 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 61 12.470 -0.754 -3.821 1.00 0.00 H new ATOM 929 N LYS A 62 7.099 -2.351 -4.012 1.00 0.00 N ATOM 930 CA LYS A 62 5.961 -2.571 -4.891 1.00 0.00 C ATOM 931 C LYS A 62 4.815 -1.652 -4.522 1.00 0.00 C ATOM 932 O LYS A 62 4.452 -1.541 -3.352 1.00 0.00 O ATOM 933 CB LYS A 62 5.490 -4.021 -4.815 1.00 0.00 C ATOM 934 CG LYS A 62 4.807 -4.498 -6.086 1.00 0.00 C ATOM 935 CD LYS A 62 5.419 -5.791 -6.596 1.00 0.00 C ATOM 936 CE LYS A 62 4.537 -6.447 -7.647 1.00 0.00 C ATOM 937 NZ LYS A 62 3.143 -6.637 -7.161 1.00 0.00 N ATOM 0 H LYS A 62 6.870 -2.333 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 62 6.282 -2.353 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.346 -4.663 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.800 -4.128 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.744 -4.648 -5.895 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.887 -3.729 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.402 -5.587 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.567 -6.478 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.527 -5.833 -8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.960 -7.413 -7.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.781 -7.553 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.132 -6.619 -6.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.541 -5.872 -7.526 1.00 0.00 H new ATOM 951 N HIS A 63 4.237 -1.000 -5.518 1.00 0.00 N ATOM 952 CA HIS A 63 3.129 -0.106 -5.267 1.00 0.00 C ATOM 953 C HIS A 63 1.807 -0.782 -5.590 1.00 0.00 C ATOM 954 O HIS A 63 1.463 -0.981 -6.756 1.00 0.00 O ATOM 955 CB HIS A 63 3.281 1.165 -6.099 1.00 0.00 C ATOM 956 CG HIS A 63 4.706 1.563 -6.328 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.570 1.932 -5.322 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.417 1.643 -7.481 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.752 2.221 -5.882 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.712 2.061 -7.191 1.00 0.00 N ATOM 0 H HIS A 63 4.516 -1.074 -6.496 1.00 0.00 H new ATOM 0 HA HIS A 63 3.134 0.156 -4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.794 1.019 -7.063 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.760 1.981 -5.599 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.038 1.418 -8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.625 2.543 -5.333 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.473 2.212 -7.853 1.00 0.00 H new ATOM 968 N TYR A 64 1.062 -1.115 -4.547 1.00 0.00 N ATOM 969 CA TYR A 64 -0.235 -1.748 -4.702 1.00 0.00 C ATOM 970 C TYR A 64 -1.332 -0.705 -4.608 1.00 0.00 C ATOM 971 O TYR A 64 -1.469 -0.033 -3.586 1.00 0.00 O ATOM 972 CB TYR A 64 -0.437 -2.815 -3.633 1.00 0.00 C ATOM 973 CG TYR A 64 0.387 -4.044 -3.887 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.770 -3.969 -3.914 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.211 -5.274 -4.116 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.534 -5.082 -4.160 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.550 -6.398 -4.362 1.00 0.00 C ATOM 978 CZ TYR A 64 1.924 -6.298 -4.384 1.00 0.00 C ATOM 979 OH TYR A 64 2.689 -7.415 -4.631 1.00 0.00 O ATOM 0 H TYR A 64 1.338 -0.955 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.277 -2.225 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.178 -2.402 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.491 -3.090 -3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.254 -3.020 -3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.288 -5.353 -4.102 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.611 -5.006 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.072 -7.351 -4.536 1.00 0.00 H new ATOM 0 HH TYR A 64 2.192 -8.030 -5.209 1.00 0.00 H new ATOM 989 N HIS A 65 -2.109 -0.559 -5.670 1.00 0.00 N ATOM 990 CA HIS A 65 -3.180 0.419 -5.661 1.00 0.00 C ATOM 991 C HIS A 65 -4.475 -0.199 -5.196 1.00 0.00 C ATOM 992 O HIS A 65 -4.981 -1.143 -5.803 1.00 0.00 O ATOM 993 CB HIS A 65 -3.387 1.051 -7.033 1.00 0.00 C ATOM 994 CG HIS A 65 -3.984 2.410 -6.935 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.394 3.459 -6.276 1.00 0.00 N ATOM 996 CD2 HIS A 65 -5.168 2.870 -7.393 1.00 0.00 C ATOM 997 CE1 HIS A 65 -4.226 4.502 -6.346 1.00 0.00 C ATOM 998 NE2 HIS A 65 -5.318 4.199 -7.018 1.00 0.00 N ATOM 0 H HIS A 65 -2.020 -1.095 -6.533 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.881 1.201 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.431 1.112 -7.553 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.036 0.412 -7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.885 2.296 -7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.029 5.469 -5.908 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.108 4.812 -7.220 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.024 0.348 -4.125 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.275 -0.154 -3.608 1.00 0.00 C ATOM 1008 C ILE A 66 -7.386 0.177 -4.580 1.00 0.00 C ATOM 1009 O ILE A 66 -7.838 1.316 -4.651 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.608 0.467 -2.239 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.370 1.127 -1.637 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -7.152 -0.590 -1.295 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.125 0.276 -1.745 1.00 0.00 C ATOM 0 H ILE A 66 -4.625 1.130 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.181 -1.233 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.373 1.230 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.195 2.079 -2.138 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.560 1.349 -0.587 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.382 -0.134 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.059 -1.023 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.406 -1.373 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.283 0.805 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.282 -0.666 -1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.911 0.075 -2.795 1.00 0.00 H new ATOM 1025 N LYS A 67 -7.839 -0.823 -5.318 1.00 0.00 N ATOM 1026 CA LYS A 67 -8.911 -0.621 -6.270 1.00 0.00 C ATOM 1027 C LYS A 67 -10.193 -0.348 -5.507 1.00 0.00 C ATOM 1028 O LYS A 67 -10.374 -0.875 -4.412 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.072 -1.846 -7.172 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.114 -1.663 -8.262 1.00 0.00 C ATOM 1031 CD LYS A 67 -9.820 -0.440 -9.115 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.361 -0.393 -9.535 1.00 0.00 C ATOM 1033 NZ LYS A 67 -8.208 -0.052 -10.978 1.00 0.00 N ATOM 0 H LYS A 67 -7.481 -1.777 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.676 0.230 -6.909 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.112 -2.076 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.346 -2.705 -6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.140 -2.551 -8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.101 -1.564 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.455 -0.452 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.068 0.463 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.833 0.344 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.896 -1.359 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.198 -0.030 -11.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.690 -0.769 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.629 0.881 -11.161 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.067 0.482 -6.068 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.319 0.833 -5.402 1.00 0.00 C ATOM 1049 C GLU A 68 -13.524 0.318 -6.179 1.00 0.00 C ATOM 1050 O GLU A 68 -13.581 0.430 -7.404 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.416 2.356 -5.251 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.236 2.976 -4.521 1.00 0.00 C ATOM 1053 CD GLU A 68 -11.613 4.240 -3.772 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -12.549 4.938 -4.219 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -10.973 4.532 -2.740 1.00 0.00 O ATOM 0 H GLU A 68 -10.933 0.923 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.322 0.363 -4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.496 2.806 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.333 2.601 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.826 2.250 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.449 3.205 -5.239 1.00 0.00 H new ATOM 1062 N THR A 69 -14.489 -0.245 -5.455 1.00 0.00 N ATOM 1063 CA THR A 69 -15.697 -0.773 -6.074 1.00 0.00 C ATOM 1064 C THR A 69 -16.937 -0.257 -5.351 1.00 0.00 C ATOM 1065 O THR A 69 -16.872 0.119 -4.181 1.00 0.00 O ATOM 1066 CB THR A 69 -15.681 -2.302 -6.058 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.960 -2.813 -5.726 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.687 -2.878 -5.074 1.00 0.00 C ATOM 0 H THR A 69 -14.456 -0.346 -4.441 1.00 0.00 H new ATOM 0 HA THR A 69 -15.728 -0.433 -7.109 1.00 0.00 H new ATOM 0 HB THR A 69 -15.386 -2.599 -7.064 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.027 -2.921 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.726 -3.967 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.683 -2.542 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.935 -2.541 -4.067 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.065 -0.239 -6.053 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.315 0.233 -5.470 1.00 0.00 C ATOM 1078 C ASN A 70 -19.718 -0.630 -4.278 1.00 0.00 C ATOM 1079 O ASN A 70 -20.816 -1.185 -4.247 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.427 0.224 -6.521 1.00 0.00 C ATOM 1081 CG ASN A 70 -20.691 -1.164 -7.070 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -19.776 -1.848 -7.529 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -21.949 -1.588 -7.028 1.00 0.00 N ATOM 0 H ASN A 70 -18.139 -0.545 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.163 1.254 -5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -21.343 0.618 -6.081 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -20.155 0.890 -7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -22.187 -2.513 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.677 -0.988 -6.639 1.00 0.00 H new ATOM 1090 N ASP A 71 -18.819 -0.739 -3.303 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.075 -1.538 -2.110 1.00 0.00 C ATOM 1092 C ASP A 71 -20.425 -2.235 -2.191 1.00 0.00 C ATOM 1093 O ASP A 71 -21.471 -1.589 -2.210 1.00 0.00 O ATOM 1094 CB ASP A 71 -19.024 -0.664 -0.857 1.00 0.00 C ATOM 1095 CG ASP A 71 -20.399 -0.203 -0.418 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -20.927 0.752 -1.025 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -20.950 -0.798 0.534 1.00 0.00 O ATOM 0 H ASP A 71 -17.907 -0.283 -3.317 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.296 -2.298 -2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -18.555 -1.222 -0.047 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -18.396 0.206 -1.050 1.00 0.00 H new ATOM 1102 N SER A 72 -20.391 -3.560 -2.230 1.00 0.00 N ATOM 1103 CA SER A 72 -21.608 -4.352 -2.301 1.00 0.00 C ATOM 1104 C SER A 72 -21.711 -5.327 -1.129 1.00 0.00 C ATOM 1105 O SER A 72 -22.420 -6.330 -1.215 1.00 0.00 O ATOM 1106 CB SER A 72 -21.663 -5.121 -3.622 1.00 0.00 C ATOM 1107 OG SER A 72 -20.834 -6.270 -3.579 1.00 0.00 O ATOM 0 H SER A 72 -19.531 -4.109 -2.214 1.00 0.00 H new ATOM 0 HA SER A 72 -22.453 -3.666 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.691 -5.418 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 72 -21.347 -4.471 -4.438 1.00 0.00 H new ATOM 0 HG SER A 72 -20.888 -6.745 -4.435 1.00 0.00 H new ATOM 1113 N PRO A 73 -21.009 -5.055 -0.011 1.00 0.00 N ATOM 1114 CA PRO A 73 -20.150 -3.882 0.156 1.00 0.00 C ATOM 1115 C PRO A 73 -18.751 -4.105 -0.418 1.00 0.00 C ATOM 1116 O PRO A 73 -18.591 -4.788 -1.429 1.00 0.00 O ATOM 1117 CB PRO A 73 -20.075 -3.707 1.684 1.00 0.00 C ATOM 1118 CG PRO A 73 -20.841 -4.852 2.280 1.00 0.00 C ATOM 1119 CD PRO A 73 -20.999 -5.878 1.195 1.00 0.00 C ATOM 0 HA PRO A 73 -20.544 -3.012 -0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.040 -3.713 2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.505 -2.752 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.309 -5.271 3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.814 -4.520 2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.179 -6.596 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -21.921 -6.449 1.306 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.742 -3.539 0.239 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.362 -3.692 -0.198 1.00 0.00 C ATOM 1129 C LYS A 74 -16.052 -2.802 -1.400 1.00 0.00 C ATOM 1130 O LYS A 74 -16.580 -3.000 -2.494 1.00 0.00 O ATOM 1131 CB LYS A 74 -16.099 -5.159 -0.514 1.00 0.00 C ATOM 1132 CG LYS A 74 -16.224 -6.068 0.698 1.00 0.00 C ATOM 1133 CD LYS A 74 -17.662 -6.497 0.930 1.00 0.00 C ATOM 1134 CE LYS A 74 -18.181 -7.338 -0.225 1.00 0.00 C ATOM 1135 NZ LYS A 74 -19.102 -8.412 0.240 1.00 0.00 N ATOM 0 H LYS A 74 -17.857 -2.970 1.077 1.00 0.00 H new ATOM 0 HA LYS A 74 -15.699 -3.373 0.606 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -16.800 -5.489 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.098 -5.259 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.599 -6.950 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -15.851 -5.550 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -17.729 -7.067 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -18.291 -5.616 1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.701 -6.696 -0.936 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -17.340 -7.785 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -18.707 -9.341 -0.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.213 -8.351 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.030 -8.295 -0.215 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.204 -1.801 -1.167 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.823 -0.842 -2.199 1.00 0.00 C ATOM 1151 C ARG A 75 -13.397 -1.038 -2.696 1.00 0.00 C ATOM 1152 O ARG A 75 -13.172 -1.515 -3.807 1.00 0.00 O ATOM 1153 CB ARG A 75 -14.954 0.571 -1.647 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.376 1.090 -1.669 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.778 1.677 -0.326 1.00 0.00 C ATOM 1156 NE ARG A 75 -17.027 0.638 0.668 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.953 0.731 1.616 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.714 1.815 1.697 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -18.121 -0.258 2.484 1.00 0.00 N ATOM 0 H ARG A 75 -14.765 -1.634 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.493 -1.004 -3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.583 0.590 -0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.320 1.241 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.474 1.851 -2.443 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.056 0.279 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.990 2.340 0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.675 2.285 -0.449 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.458 -0.208 0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.588 2.577 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.425 1.886 2.425 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.538 -1.093 2.425 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.833 -0.183 3.211 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.440 -0.610 -1.883 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.034 -0.674 -2.252 1.00 0.00 C ATOM 1175 C TYR A 76 -10.455 -2.075 -2.128 1.00 0.00 C ATOM 1176 O TYR A 76 -10.882 -2.866 -1.292 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.246 0.317 -1.407 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.997 1.608 -1.220 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.127 1.870 -1.979 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.590 2.552 -0.294 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.834 3.040 -1.824 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.291 3.732 -0.131 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.414 3.972 -0.899 1.00 0.00 C ATOM 1184 OH TYR A 76 -13.116 5.144 -0.739 1.00 0.00 O ATOM 0 H TYR A 76 -12.614 -0.213 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.954 -0.406 -3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.032 -0.124 -0.433 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.287 0.519 -1.883 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.458 1.142 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.714 2.365 0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.713 3.227 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.962 4.463 0.593 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.688 5.690 -0.047 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.474 -2.364 -2.981 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.813 -3.673 -2.995 1.00 0.00 C ATOM 1196 C TYR A 77 -7.552 -3.664 -3.856 1.00 0.00 C ATOM 1197 O TYR A 77 -7.443 -2.898 -4.809 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.758 -4.747 -3.525 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.039 -4.635 -5.005 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -10.965 -3.715 -5.484 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.384 -5.450 -5.924 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.232 -3.607 -6.834 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.646 -5.343 -7.278 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.569 -4.421 -7.728 1.00 0.00 C ATOM 1205 OH TYR A 77 -10.832 -4.317 -9.074 1.00 0.00 O ATOM 0 H TYR A 77 -9.116 -1.708 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.534 -3.895 -1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.330 -5.728 -3.319 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.700 -4.690 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.485 -3.074 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.663 -6.174 -5.576 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.956 -2.889 -7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.130 -5.979 -7.981 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.661 -3.811 -9.207 1.00 0.00 H new ATOM 1215 N VAL A 78 -6.616 -4.550 -3.532 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.377 -4.672 -4.292 1.00 0.00 C ATOM 1217 C VAL A 78 -5.171 -6.109 -4.725 1.00 0.00 C ATOM 1218 O VAL A 78 -4.478 -6.873 -4.056 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.143 -4.242 -3.489 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.308 -2.835 -2.940 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -3.868 -5.239 -2.377 1.00 0.00 C ATOM 0 H VAL A 78 -6.692 -5.196 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.480 -4.010 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.283 -4.229 -4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.418 -2.558 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.446 -2.136 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.178 -2.800 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.990 -4.923 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.729 -5.287 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.688 -6.224 -2.808 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.784 -6.471 -5.837 1.00 0.00 N ATOM 1232 CA ALA A 79 -5.681 -7.822 -6.361 1.00 0.00 C ATOM 1233 C ALA A 79 -7.066 -8.407 -6.589 1.00 0.00 C ATOM 1234 O ALA A 79 -7.329 -9.543 -6.194 1.00 0.00 O ATOM 1235 CB ALA A 79 -4.902 -8.717 -5.400 1.00 0.00 C ATOM 0 H ALA A 79 -6.362 -5.845 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.148 -7.776 -7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.837 -9.724 -5.812 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.898 -8.316 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.414 -8.751 -4.438 1.00 0.00 H new ATOM 1241 N GLU A 80 -7.972 -7.630 -7.186 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.326 -8.126 -7.385 1.00 0.00 C ATOM 1243 C GLU A 80 -9.640 -9.007 -6.197 1.00 0.00 C ATOM 1244 O GLU A 80 -10.329 -10.023 -6.296 1.00 0.00 O ATOM 1245 CB GLU A 80 -9.434 -8.917 -8.691 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.817 -8.204 -9.882 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.779 -8.074 -11.046 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -10.778 -7.337 -10.913 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -9.533 -8.712 -12.092 1.00 0.00 O ATOM 0 H GLU A 80 -7.798 -6.685 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.035 -7.301 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.946 -9.883 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.485 -9.116 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.487 -7.211 -9.576 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.930 -8.748 -10.207 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.051 -8.609 -5.077 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.153 -9.333 -3.830 1.00 0.00 C ATOM 1258 C LYS A 81 -9.761 -8.490 -2.716 1.00 0.00 C ATOM 1259 O LYS A 81 -10.027 -7.302 -2.887 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.746 -9.743 -3.426 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.983 -8.633 -2.719 1.00 0.00 C ATOM 1262 CD LYS A 81 -6.162 -9.177 -1.570 1.00 0.00 C ATOM 1263 CE LYS A 81 -4.675 -9.052 -1.818 1.00 0.00 C ATOM 1264 NZ LYS A 81 -3.902 -9.774 -0.773 1.00 0.00 N ATOM 0 H LYS A 81 -8.484 -7.764 -5.015 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.807 -10.192 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.801 -10.613 -2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.193 -10.047 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.329 -8.129 -3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.684 -7.887 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.422 -8.643 -0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.415 -10.225 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.431 -9.455 -2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.390 -8.000 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.085 -10.247 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.568 -9.097 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.511 -10.484 -0.319 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.958 -9.124 -1.566 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.512 -8.460 -0.395 1.00 0.00 C ATOM 1280 C TYR A 82 -10.584 -6.953 -0.593 1.00 0.00 C ATOM 1281 O TYR A 82 -9.652 -6.234 -0.235 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.661 -8.737 0.850 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.800 -9.982 0.786 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -8.107 -10.332 -0.364 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.686 -10.807 1.896 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -7.324 -11.472 -0.406 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.907 -11.943 1.865 1.00 0.00 C ATOM 1288 CZ TYR A 82 -7.226 -12.273 0.712 1.00 0.00 C ATOM 1289 OH TYR A 82 -6.448 -13.407 0.676 1.00 0.00 O ATOM 0 H TYR A 82 -9.739 -10.109 -1.420 1.00 0.00 H new ATOM 0 HA TYR A 82 -11.517 -8.860 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.014 -7.877 1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.324 -8.818 1.711 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -8.180 -9.705 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.218 -10.554 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.793 -11.733 -1.309 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.830 -12.572 2.739 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.486 -13.858 1.545 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.693 -6.468 -1.129 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.852 -5.038 -1.320 1.00 0.00 C ATOM 1301 C VAL A 83 -12.563 -4.439 -0.117 1.00 0.00 C ATOM 1302 O VAL A 83 -13.663 -4.854 0.244 1.00 0.00 O ATOM 1303 CB VAL A 83 -12.604 -4.703 -2.624 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -12.398 -5.809 -3.644 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -14.080 -4.466 -2.369 1.00 0.00 C ATOM 0 H VAL A 83 -12.484 -7.034 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.859 -4.599 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.193 -3.777 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.933 -5.563 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.335 -5.911 -3.861 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.778 -6.749 -3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -14.579 -4.232 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.523 -5.363 -1.936 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.200 -3.632 -1.678 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.906 -3.482 0.524 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.449 -2.847 1.713 1.00 0.00 C ATOM 1317 C PHE A 84 -12.940 -1.437 1.412 1.00 0.00 C ATOM 1318 O PHE A 84 -12.683 -0.891 0.338 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.386 -2.829 2.815 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.685 -4.152 2.987 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -9.774 -4.600 2.040 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -10.943 -4.951 4.089 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -9.136 -5.821 2.191 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -10.306 -6.171 4.246 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.403 -6.607 3.295 1.00 0.00 C ATOM 0 H PHE A 84 -10.993 -3.129 0.238 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.308 -3.424 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.647 -2.061 2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.855 -2.548 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.560 -3.990 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.650 -4.619 4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -8.430 -6.158 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.515 -6.782 5.112 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.908 -7.559 3.415 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.658 -0.859 2.365 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.202 0.483 2.208 1.00 0.00 C ATOM 1337 C ASP A 85 -13.180 1.541 2.600 1.00 0.00 C ATOM 1338 O ASP A 85 -13.505 2.725 2.689 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.465 0.644 3.056 1.00 0.00 C ATOM 1340 CG ASP A 85 -15.160 1.116 4.463 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -15.006 2.340 4.659 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.076 0.261 5.371 1.00 0.00 O ATOM 0 H ASP A 85 -13.878 -1.300 3.258 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.453 0.622 1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.135 1.356 2.574 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.993 -0.309 3.102 1.00 0.00 H new ATOM 1347 N SER A 86 -11.943 1.116 2.837 1.00 0.00 N ATOM 1348 CA SER A 86 -10.892 2.048 3.220 1.00 0.00 C ATOM 1349 C SER A 86 -9.510 1.402 3.166 1.00 0.00 C ATOM 1350 O SER A 86 -9.323 0.230 3.537 1.00 0.00 O ATOM 1351 CB SER A 86 -11.154 2.595 4.623 1.00 0.00 C ATOM 1352 OG SER A 86 -12.544 2.712 4.875 1.00 0.00 O ATOM 0 H SER A 86 -11.647 0.142 2.771 1.00 0.00 H new ATOM 0 HA SER A 86 -10.906 2.867 2.501 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.701 1.936 5.364 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.679 3.570 4.731 1.00 0.00 H new ATOM 0 HG SER A 86 -12.961 3.244 4.166 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.537 2.186 2.718 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.171 1.712 2.630 1.00 0.00 C ATOM 1360 C ILE A 87 -6.727 1.157 3.977 1.00 0.00 C ATOM 1361 O ILE A 87 -6.136 0.090 4.045 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.192 2.827 2.219 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.292 3.147 0.724 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.773 2.414 2.565 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.587 2.714 0.078 1.00 0.00 C ATOM 0 H ILE A 87 -8.673 3.149 2.412 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.153 0.936 1.864 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.460 3.729 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -6.173 4.222 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.463 2.665 0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.082 3.205 2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.695 2.243 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.521 1.497 2.032 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.573 2.979 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.701 1.635 0.180 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.423 3.215 0.566 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.012 1.877 5.075 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.632 1.437 6.418 1.00 0.00 C ATOM 1379 C PRO A 88 -7.121 0.031 6.722 1.00 0.00 C ATOM 1380 O PRO A 88 -6.345 -0.816 7.161 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.295 2.452 7.351 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.263 3.210 6.500 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.719 3.162 5.101 1.00 0.00 C ATOM 0 HA PRO A 88 -5.549 1.396 6.533 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.805 1.952 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.555 3.120 7.793 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.256 2.763 6.547 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.361 4.240 6.844 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.513 3.202 4.356 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.049 3.997 4.898 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.396 -0.238 6.451 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.922 -1.577 6.669 1.00 0.00 C ATOM 1393 C LEU A 89 -8.275 -2.483 5.645 1.00 0.00 C ATOM 1394 O LEU A 89 -7.696 -3.531 5.977 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.450 -1.642 6.536 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.187 -0.303 6.507 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.667 0.000 5.096 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.362 -0.325 7.473 1.00 0.00 C ATOM 0 H LEU A 89 -9.068 0.438 6.088 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.692 -1.888 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.691 -2.184 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.841 -2.229 7.367 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.498 0.483 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.191 0.956 5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.811 0.049 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.344 -0.787 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.877 0.635 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.054 -1.117 7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.998 -0.508 8.484 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.333 -2.036 4.389 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.713 -2.771 3.308 1.00 0.00 C ATOM 1412 C LEU A 90 -6.236 -2.945 3.627 1.00 0.00 C ATOM 1413 O LEU A 90 -5.624 -3.961 3.304 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.903 -2.029 1.989 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.564 -2.845 0.745 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.546 -2.543 -0.373 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -6.133 -2.569 0.307 1.00 0.00 C ATOM 0 H LEU A 90 -8.801 -1.175 4.106 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.178 -3.751 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.939 -1.699 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.283 -1.133 1.999 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.647 -3.905 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.289 -3.134 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.556 -2.795 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.499 -1.483 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.904 -3.158 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.020 -1.509 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.448 -2.842 1.109 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.677 -1.951 4.303 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.291 -2.003 4.719 1.00 0.00 C ATOM 1431 C ILE A 91 -4.190 -2.846 5.978 1.00 0.00 C ATOM 1432 O ILE A 91 -3.256 -3.630 6.155 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.697 -0.605 4.992 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.737 0.236 3.722 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.264 -0.725 5.502 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.965 -0.380 2.587 1.00 0.00 C ATOM 0 H ILE A 91 -6.167 -1.098 4.573 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.717 -2.442 3.903 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.296 -0.114 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.774 0.374 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.333 1.226 3.935 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.860 0.270 5.690 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.254 -1.301 6.427 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.653 -1.230 4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.030 0.264 1.710 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.920 -0.493 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.384 -1.358 2.350 1.00 0.00 H new ATOM 1448 N GLN A 92 -5.184 -2.681 6.846 1.00 0.00 N ATOM 1449 CA GLN A 92 -5.246 -3.423 8.091 1.00 0.00 C ATOM 1450 C GLN A 92 -5.228 -4.913 7.799 1.00 0.00 C ATOM 1451 O GLN A 92 -4.481 -5.667 8.423 1.00 0.00 O ATOM 1452 CB GLN A 92 -6.510 -3.055 8.872 1.00 0.00 C ATOM 1453 CG GLN A 92 -6.398 -1.738 9.623 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.959 -1.319 9.852 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -4.269 -0.957 8.776 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.473 -1.319 10.984 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.960 -2.034 6.704 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.379 -3.165 8.699 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -7.351 -2.999 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.733 -3.851 9.582 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.915 -0.959 9.062 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -6.904 -1.828 10.584 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.040 -1.605 11.782 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.504 -1.033 11.123 1.00 0.00 H new ATOM 1465 N TYR A 93 -6.042 -5.337 6.833 1.00 0.00 N ATOM 1466 CA TYR A 93 -6.081 -6.747 6.467 1.00 0.00 C ATOM 1467 C TYR A 93 -4.771 -7.152 5.797 1.00 0.00 C ATOM 1468 O TYR A 93 -4.313 -8.284 5.947 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.273 -7.054 5.558 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.950 -7.014 4.085 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.841 -5.804 3.424 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.767 -8.181 3.352 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.555 -5.749 2.075 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.485 -8.136 1.999 1.00 0.00 C ATOM 1475 CZ TYR A 93 -6.378 -6.916 1.366 1.00 0.00 C ATOM 1476 OH TYR A 93 -6.108 -6.862 0.019 1.00 0.00 O ATOM 0 H TYR A 93 -6.671 -4.736 6.300 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.205 -7.332 7.379 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.662 -8.041 5.807 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.068 -6.337 5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.982 -4.885 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.846 -9.138 3.847 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.470 -4.794 1.577 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.349 -9.051 1.442 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.147 -6.985 -0.127 1.00 0.00 H new ATOM 1486 N HIS A 94 -4.154 -6.215 5.072 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.885 -6.486 4.409 1.00 0.00 C ATOM 1488 C HIS A 94 -1.743 -6.461 5.421 1.00 0.00 C ATOM 1489 O HIS A 94 -0.676 -7.023 5.184 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.631 -5.475 3.290 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.906 -6.015 1.923 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -2.331 -5.741 0.729 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.881 -6.956 1.670 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -2.963 -6.513 -0.213 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -3.892 -7.235 0.380 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.513 -5.270 4.932 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.935 -7.480 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.254 -4.596 3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.594 -5.144 3.339 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.570 -5.083 0.561 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.533 -7.396 2.410 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.736 -6.527 -1.269 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.982 -5.810 6.557 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.980 -5.717 7.615 1.00 0.00 C ATOM 1506 C GLN A 95 -0.924 -7.010 8.421 1.00 0.00 C ATOM 1507 O GLN A 95 0.149 -7.453 8.830 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.295 -4.541 8.541 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.425 -3.321 8.293 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.446 -2.345 9.454 1.00 0.00 C ATOM 1511 OE1 GLN A 95 0.590 -2.049 10.050 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -1.630 -1.840 9.781 1.00 0.00 N ATOM 0 H GLN A 95 -2.862 -5.339 6.768 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.008 -5.555 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.341 -4.262 8.417 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.171 -4.861 9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.601 -3.642 8.111 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.765 -2.814 7.390 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.463 -2.113 9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.707 -1.179 10.554 1.00 0.00 H new ATOM 1521 N TYR A 96 -2.088 -7.611 8.646 1.00 0.00 N ATOM 1522 CA TYR A 96 -2.173 -8.853 9.403 1.00 0.00 C ATOM 1523 C TYR A 96 -2.271 -10.055 8.469 1.00 0.00 C ATOM 1524 O TYR A 96 -1.403 -10.929 8.472 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.383 -8.822 10.339 1.00 0.00 C ATOM 1526 CG TYR A 96 -3.266 -7.799 11.446 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -3.374 -6.440 11.176 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.047 -8.190 12.761 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -3.269 -5.501 12.184 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.940 -7.257 13.775 1.00 0.00 C ATOM 1531 CZ TYR A 96 -3.051 -5.915 13.481 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.945 -4.983 14.489 1.00 0.00 O ATOM 0 H TYR A 96 -2.985 -7.257 8.314 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.264 -8.950 9.997 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -4.279 -8.612 9.754 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.515 -9.810 10.781 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -3.543 -6.112 10.161 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -2.959 -9.241 12.995 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -3.357 -4.449 11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.770 -7.578 14.792 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.793 -5.440 15.343 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.332 -10.093 7.670 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.544 -11.187 6.729 1.00 0.00 C ATOM 1544 C ASN A 97 -2.288 -11.446 5.904 1.00 0.00 C ATOM 1545 O ASN A 97 -1.272 -10.772 6.072 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.720 -10.871 5.805 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.946 -10.405 6.566 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.913 -9.925 5.974 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -5.910 -10.542 7.887 1.00 0.00 N ATOM 0 H ASN A 97 -4.059 -9.378 7.655 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.772 -12.086 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.423 -10.100 5.094 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.972 -11.759 5.225 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.705 -10.244 8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.088 -10.945 8.336 1.00 0.00 H new ATOM 1556 N GLY A 98 -2.365 -12.428 5.012 1.00 0.00 N ATOM 1557 CA GLY A 98 -1.228 -12.758 4.173 1.00 0.00 C ATOM 1558 C GLY A 98 -1.471 -12.436 2.712 1.00 0.00 C ATOM 1559 O GLY A 98 -0.742 -12.902 1.837 1.00 0.00 O ATOM 0 H GLY A 98 -3.194 -13.001 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.352 -12.210 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.001 -13.819 4.275 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.500 -11.637 2.448 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.820 -11.266 1.082 1.00 0.00 C ATOM 1565 C GLY A 99 -1.655 -11.482 0.134 1.00 0.00 C ATOM 1566 O GLY A 99 -0.509 -11.187 0.472 1.00 0.00 O ATOM 0 H GLY A 99 -3.118 -11.240 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.675 -11.850 0.741 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.118 -10.218 1.054 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.950 -11.999 -1.056 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.909 -12.246 -2.036 1.00 0.00 C ATOM 1572 C GLY A 100 -0.212 -10.974 -2.482 1.00 0.00 C ATOM 1573 O GLY A 100 -0.736 -10.229 -3.309 1.00 0.00 O ATOM 0 H GLY A 100 -2.891 -12.251 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.173 -12.930 -1.614 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.343 -12.741 -2.904 1.00 0.00 H new ATOM 1577 N LEU A 101 0.971 -10.727 -1.931 1.00 0.00 N ATOM 1578 CA LEU A 101 1.746 -9.538 -2.272 1.00 0.00 C ATOM 1579 C LEU A 101 3.186 -9.677 -1.788 1.00 0.00 C ATOM 1580 O LEU A 101 3.495 -10.555 -0.982 1.00 0.00 O ATOM 1581 CB LEU A 101 1.107 -8.293 -1.653 1.00 0.00 C ATOM 1582 CG LEU A 101 -0.351 -8.038 -2.050 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -1.292 -8.889 -1.214 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.690 -6.564 -1.901 1.00 0.00 C ATOM 0 H LEU A 101 1.416 -11.336 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 101 1.751 -9.433 -3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.161 -8.379 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.700 -7.423 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.477 -8.319 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.322 -8.693 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.064 -9.943 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.166 -8.642 -0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.729 -6.399 -2.187 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.546 -6.261 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.038 -5.974 -2.545 1.00 0.00 H new ATOM 1596 N VAL A 102 4.066 -8.806 -2.279 1.00 0.00 N ATOM 1597 CA VAL A 102 5.471 -8.841 -1.884 1.00 0.00 C ATOM 1598 C VAL A 102 5.617 -9.383 -0.469 1.00 0.00 C ATOM 1599 O VAL A 102 6.615 -10.018 -0.130 1.00 0.00 O ATOM 1600 CB VAL A 102 6.113 -7.441 -1.952 1.00 0.00 C ATOM 1601 CG1 VAL A 102 5.312 -6.529 -2.866 1.00 0.00 C ATOM 1602 CG2 VAL A 102 6.237 -6.836 -0.558 1.00 0.00 C ATOM 0 H VAL A 102 3.832 -8.072 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 102 5.985 -9.498 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 102 7.116 -7.544 -2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 102 5.781 -5.546 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.284 -6.953 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.296 -6.433 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.692 -5.848 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.247 -6.748 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.860 -7.479 0.064 1.00 0.00 H new ATOM 1612 N THR A 103 4.608 -9.121 0.350 1.00 0.00 N ATOM 1613 CA THR A 103 4.598 -9.569 1.735 1.00 0.00 C ATOM 1614 C THR A 103 3.533 -8.817 2.524 1.00 0.00 C ATOM 1615 O THR A 103 3.674 -8.599 3.726 1.00 0.00 O ATOM 1616 CB THR A 103 5.971 -9.360 2.376 1.00 0.00 C ATOM 1617 OG1 THR A 103 5.850 -9.192 3.777 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.712 -8.156 1.832 1.00 0.00 C ATOM 0 H THR A 103 3.778 -8.595 0.075 1.00 0.00 H new ATOM 0 HA THR A 103 4.365 -10.634 1.752 1.00 0.00 H new ATOM 0 HB THR A 103 6.541 -10.257 2.132 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.940 -9.424 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.677 -8.067 2.330 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.867 -8.278 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.126 -7.255 2.014 1.00 0.00 H new ATOM 1626 N ARG A 104 2.469 -8.418 1.831 1.00 0.00 N ATOM 1627 CA ARG A 104 1.381 -7.682 2.461 1.00 0.00 C ATOM 1628 C ARG A 104 1.935 -6.607 3.388 1.00 0.00 C ATOM 1629 O ARG A 104 3.146 -6.516 3.584 1.00 0.00 O ATOM 1630 CB ARG A 104 0.474 -8.639 3.237 1.00 0.00 C ATOM 1631 CG ARG A 104 1.202 -9.442 4.304 1.00 0.00 C ATOM 1632 CD ARG A 104 1.475 -8.607 5.544 1.00 0.00 C ATOM 1633 NE ARG A 104 2.269 -9.335 6.530 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.629 -8.829 7.705 1.00 0.00 C ATOM 1635 NH1 ARG A 104 2.269 -7.595 8.036 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.351 -9.553 8.549 1.00 0.00 N ATOM 0 H ARG A 104 2.339 -8.593 0.835 1.00 0.00 H new ATOM 0 HA ARG A 104 0.791 -7.198 1.683 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.325 -8.066 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.002 -9.327 2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.605 -10.313 4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.144 -9.814 3.901 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.999 -7.695 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.529 -8.304 5.993 1.00 0.00 H new ATOM 0 HE ARG A 104 2.564 -10.285 6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.716 -7.034 7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.546 -7.208 8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.632 -10.501 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.626 -9.162 9.450 1.00 0.00 H new ATOM 1650 N LEU A 105 1.050 -5.794 3.957 1.00 0.00 N ATOM 1651 CA LEU A 105 1.471 -4.732 4.863 1.00 0.00 C ATOM 1652 C LEU A 105 2.365 -5.272 5.969 1.00 0.00 C ATOM 1653 O LEU A 105 1.999 -5.249 7.145 1.00 0.00 O ATOM 1654 CB LEU A 105 0.260 -4.021 5.467 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.373 -2.966 4.578 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.400 -2.827 3.286 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.818 -3.307 4.306 1.00 0.00 C ATOM 0 H LEU A 105 0.043 -5.850 3.808 1.00 0.00 H new ATOM 0 HA LEU A 105 2.045 -4.012 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.495 -4.767 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.562 -3.552 6.403 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.339 -2.008 5.097 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.069 -2.066 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.427 -2.534 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 105 0.400 -3.780 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.259 -2.541 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.876 -4.274 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.365 -3.352 5.248 1.00 0.00 H new ATOM 1669 N ARG A 106 3.544 -5.748 5.587 1.00 0.00 N ATOM 1670 CA ARG A 106 4.494 -6.281 6.550 1.00 0.00 C ATOM 1671 C ARG A 106 4.904 -5.200 7.542 1.00 0.00 C ATOM 1672 O ARG A 106 5.095 -5.468 8.728 1.00 0.00 O ATOM 1673 CB ARG A 106 5.731 -6.816 5.832 1.00 0.00 C ATOM 1674 CG ARG A 106 6.408 -7.966 6.561 1.00 0.00 C ATOM 1675 CD ARG A 106 7.707 -8.367 5.881 1.00 0.00 C ATOM 1676 NE ARG A 106 7.828 -9.817 5.744 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.884 -10.651 6.777 1.00 0.00 C ATOM 1678 NH1 ARG A 106 7.832 -10.181 8.016 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.994 -11.956 6.572 1.00 0.00 N ATOM 0 H ARG A 106 3.863 -5.775 4.618 1.00 0.00 H new ATOM 0 HA ARG A 106 4.015 -7.097 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.446 -7.147 4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.448 -6.004 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.610 -7.676 7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.735 -8.823 6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.758 -7.904 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.550 -7.986 6.457 1.00 0.00 H new ATOM 0 HE ARG A 106 7.872 -10.210 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.749 -9.177 8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.875 -10.823 8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.036 -12.321 5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.037 -12.595 7.366 1.00 0.00 H new ATOM 1693 N TYR A 107 5.047 -3.979 7.041 1.00 0.00 N ATOM 1694 CA TYR A 107 5.444 -2.853 7.877 1.00 0.00 C ATOM 1695 C TYR A 107 5.318 -1.531 7.122 1.00 0.00 C ATOM 1696 O TYR A 107 6.234 -1.127 6.406 1.00 0.00 O ATOM 1697 CB TYR A 107 6.886 -3.043 8.344 1.00 0.00 C ATOM 1698 CG TYR A 107 7.417 -1.889 9.158 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.737 -1.428 10.276 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.601 -1.262 8.805 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.222 -0.370 11.019 1.00 0.00 C ATOM 1702 CE2 TYR A 107 9.097 -0.204 9.542 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.404 0.238 10.649 1.00 0.00 C ATOM 1704 OH TYR A 107 8.893 1.292 11.386 1.00 0.00 O ATOM 0 H TYR A 107 4.894 -3.743 6.060 1.00 0.00 H new ATOM 0 HA TYR A 107 4.778 -2.817 8.739 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.949 -3.955 8.938 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.525 -3.186 7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.813 -1.904 10.570 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.146 -1.606 7.938 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.679 -0.020 11.885 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.021 0.274 9.253 1.00 0.00 H new ATOM 0 HH TYR A 107 9.830 1.451 11.148 1.00 0.00 H new ATOM 1714 N PRO A 108 4.184 -0.830 7.274 1.00 0.00 N ATOM 1715 CA PRO A 108 3.960 0.452 6.609 1.00 0.00 C ATOM 1716 C PRO A 108 5.142 1.405 6.792 1.00 0.00 C ATOM 1717 O PRO A 108 5.959 1.225 7.696 1.00 0.00 O ATOM 1718 CB PRO A 108 2.695 1.002 7.288 1.00 0.00 C ATOM 1719 CG PRO A 108 2.454 0.117 8.467 1.00 0.00 C ATOM 1720 CD PRO A 108 3.036 -1.214 8.101 1.00 0.00 C ATOM 0 HA PRO A 108 3.850 0.342 5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.835 2.038 7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.845 0.986 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.929 0.519 9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.389 0.033 8.682 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.339 -1.782 8.980 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.326 -1.832 7.551 1.00 0.00 H new ATOM 1728 N VAL A 109 5.238 2.406 5.922 1.00 0.00 N ATOM 1729 CA VAL A 109 6.327 3.371 5.975 1.00 0.00 C ATOM 1730 C VAL A 109 5.856 4.757 5.569 1.00 0.00 C ATOM 1731 O VAL A 109 4.867 4.903 4.851 1.00 0.00 O ATOM 1732 CB VAL A 109 7.473 2.960 5.039 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.676 2.490 5.832 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.005 1.883 4.077 1.00 0.00 C ATOM 0 H VAL A 109 4.570 2.569 5.169 1.00 0.00 H new ATOM 0 HA VAL A 109 6.679 3.391 7.006 1.00 0.00 H new ATOM 0 HB VAL A 109 7.776 3.833 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.474 2.204 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 109 9.023 3.296 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.397 1.631 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.827 1.601 3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.675 1.010 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.177 2.264 3.480 1.00 0.00 H new ATOM 1744 N CYS A 110 6.577 5.775 6.020 1.00 0.00 N ATOM 1745 CA CYS A 110 6.237 7.149 5.690 1.00 0.00 C ATOM 1746 C CYS A 110 7.494 7.991 5.512 1.00 0.00 C ATOM 1747 O CYS A 110 7.977 8.618 6.454 1.00 0.00 O ATOM 1748 CB CYS A 110 5.346 7.750 6.775 1.00 0.00 C ATOM 1749 SG CYS A 110 6.233 8.267 8.263 1.00 0.00 S ATOM 0 H CYS A 110 7.400 5.674 6.614 1.00 0.00 H new ATOM 0 HA CYS A 110 5.690 7.148 4.747 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.820 8.611 6.362 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.588 7.018 7.054 1.00 0.00 H new ATOM 0 HG CYS A 110 7.463 8.557 7.956 1.00 0.00 H new ATOM 1755 N GLY A 111 8.020 7.995 4.293 1.00 0.00 N ATOM 1756 CA GLY A 111 9.218 8.760 4.003 1.00 0.00 C ATOM 1757 C GLY A 111 10.466 8.124 4.581 1.00 0.00 C ATOM 1758 O GLY A 111 11.439 8.816 4.883 1.00 0.00 O ATOM 0 H GLY A 111 7.638 7.481 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.330 8.858 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.108 9.767 4.404 1.00 0.00 H new HETATM 1762 N NH2 A 112 10.449 6.806 4.742 1.00 0.00 N TER 1765 NH2 A 112