USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 81 HIS : no HE2:sc= 0.602 K(o=0.6,f=-2.4!) USER MOD Set 2.1: A 57 THR OG1 : rot -27:sc= 0.802 USER MOD Set 2.2: A 94 THR OG1 : rot 96:sc= 0.891 USER MOD Set 3.1: A 28 SER OG : rot -150:sc= 1.7 USER MOD Set 3.2: A 120 SER OG : rot -102:sc= 0.75 USER MOD Set 4.1: A 24 ASN : amide:sc= -0.257 X(o=-0.26,f=-0.15) USER MOD Set 4.2: A 34 HIS : no HD1:sc=-0.00122 X(o=-0.26,f=-0.15) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0773 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 1.05 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.8!) USER MOD Single : A 9 SER OG : rot -2:sc= 0.513 USER MOD Single : A 15 MET CE :methyl -170:sc= -0.0609 (180deg=-0.307) USER MOD Single : A 20 ASN : amide:sc= -0.335 K(o=-0.33,f=-1.6) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -50:sc= 0.988 USER MOD Single : A 46 HIS : no HD1:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0317 X(o=-0.032,f=-0.045) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 150:sc= -0.156 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 0.766 K(o=0.77,f=-2.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -0.257 (180deg=-0.698) USER MOD Single : A 83 MET CE :methyl -170:sc= -0.671 (180deg=-0.931) USER MOD Single : A 91 SER OG : rot 75:sc= 1.2 USER MOD Single : A 92 HIS : no HD1:sc= -0.675 X(o=-0.68,f=-0.42) USER MOD Single : A 93 TYR OH : rot 15:sc= 0.00123 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 101 ASN : amide:sc= 0.911 K(o=0.91,f=-11!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -153:sc= 1.31 USER MOD Single : A 115 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : A 116 THR OG1 : rot -155:sc= 1.46 USER MOD Single : A 123 SER OG : rot 180:sc= 0.113 USER MOD Single : A 124 SER OG : rot 4:sc= 0.485 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.775 -31.714 -13.723 1.00 0.00 N ATOM 2 CA GLY A 1 18.308 -30.688 -12.822 1.00 0.00 C ATOM 3 C GLY A 1 17.845 -30.929 -11.395 1.00 0.00 C ATOM 4 O GLY A 1 17.532 -32.060 -11.031 1.00 0.00 O ATOM 0 H1 GLY A 1 18.551 -32.119 -14.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.323 -32.466 -13.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.073 -31.286 -14.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.397 -30.693 -12.861 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.982 -29.702 -13.153 1.00 0.00 H new ATOM 8 N SER A 2 17.801 -29.876 -10.577 1.00 0.00 N ATOM 9 CA SER A 2 17.270 -29.915 -9.224 1.00 0.00 C ATOM 10 C SER A 2 16.774 -28.516 -8.842 1.00 0.00 C ATOM 11 O SER A 2 15.558 -28.307 -8.816 1.00 0.00 O ATOM 12 CB SER A 2 18.344 -30.476 -8.279 1.00 0.00 C ATOM 13 OG SER A 2 17.971 -30.376 -6.921 1.00 0.00 O ATOM 0 H SER A 2 18.143 -28.954 -10.848 1.00 0.00 H new ATOM 0 HA SER A 2 16.411 -30.581 -9.147 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.531 -31.521 -8.526 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.279 -29.939 -8.437 1.00 0.00 H new ATOM 0 HG SER A 2 18.683 -30.746 -6.358 1.00 0.00 H new ATOM 19 N SER A 3 17.684 -27.557 -8.615 1.00 0.00 N ATOM 20 CA SER A 3 17.489 -26.333 -7.827 1.00 0.00 C ATOM 21 C SER A 3 16.841 -26.636 -6.468 1.00 0.00 C ATOM 22 O SER A 3 15.622 -26.776 -6.384 1.00 0.00 O ATOM 23 CB SER A 3 16.774 -25.210 -8.599 1.00 0.00 C ATOM 24 OG SER A 3 15.629 -25.668 -9.283 1.00 0.00 O ATOM 0 H SER A 3 18.627 -27.619 -8.998 1.00 0.00 H new ATOM 0 HA SER A 3 18.484 -25.936 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.486 -24.422 -7.903 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.467 -24.767 -9.314 1.00 0.00 H new ATOM 0 HG SER A 3 15.334 -26.518 -8.895 1.00 0.00 H new ATOM 30 N GLY A 4 17.641 -26.757 -5.410 1.00 0.00 N ATOM 31 CA GLY A 4 17.191 -27.150 -4.081 1.00 0.00 C ATOM 32 C GLY A 4 18.254 -26.818 -3.041 1.00 0.00 C ATOM 33 O GLY A 4 19.057 -25.905 -3.246 1.00 0.00 O ATOM 0 H GLY A 4 18.644 -26.579 -5.457 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.262 -26.635 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.977 -28.219 -4.064 1.00 0.00 H new ATOM 37 N SER A 5 18.241 -27.540 -1.923 1.00 0.00 N ATOM 38 CA SER A 5 18.973 -27.219 -0.697 1.00 0.00 C ATOM 39 C SER A 5 18.545 -25.865 -0.117 1.00 0.00 C ATOM 40 O SER A 5 17.659 -25.198 -0.663 1.00 0.00 O ATOM 41 CB SER A 5 20.491 -27.369 -0.897 1.00 0.00 C ATOM 42 OG SER A 5 20.783 -28.616 -1.510 1.00 0.00 O ATOM 0 H SER A 5 17.699 -28.400 -1.842 1.00 0.00 H new ATOM 0 HA SER A 5 18.705 -27.951 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.866 -26.554 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.001 -27.300 0.064 1.00 0.00 H new ATOM 0 HG SER A 5 21.751 -28.701 -1.634 1.00 0.00 H new ATOM 48 N SER A 6 19.108 -25.516 1.040 1.00 0.00 N ATOM 49 CA SER A 6 18.556 -24.600 2.026 1.00 0.00 C ATOM 50 C SER A 6 17.227 -25.164 2.564 1.00 0.00 C ATOM 51 O SER A 6 16.384 -25.701 1.837 1.00 0.00 O ATOM 52 CB SER A 6 18.529 -23.164 1.463 1.00 0.00 C ATOM 53 OG SER A 6 17.772 -22.255 2.238 1.00 0.00 O ATOM 0 H SER A 6 20.013 -25.889 1.326 1.00 0.00 H new ATOM 0 HA SER A 6 19.192 -24.518 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.552 -22.796 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.123 -23.189 0.452 1.00 0.00 H new ATOM 0 HG SER A 6 17.801 -21.368 1.823 1.00 0.00 H new ATOM 59 N GLY A 7 17.056 -25.061 3.879 1.00 0.00 N ATOM 60 CA GLY A 7 15.867 -25.419 4.636 1.00 0.00 C ATOM 61 C GLY A 7 15.592 -24.288 5.622 1.00 0.00 C ATOM 62 O GLY A 7 16.243 -23.242 5.556 1.00 0.00 O ATOM 0 H GLY A 7 17.796 -24.701 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.017 -25.561 3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.018 -26.360 5.165 1.00 0.00 H new ATOM 66 N HIS A 8 14.620 -24.451 6.513 1.00 0.00 N ATOM 67 CA HIS A 8 14.453 -23.571 7.661 1.00 0.00 C ATOM 68 C HIS A 8 13.665 -24.301 8.743 1.00 0.00 C ATOM 69 O HIS A 8 13.109 -25.376 8.500 1.00 0.00 O ATOM 70 CB HIS A 8 13.802 -22.229 7.269 1.00 0.00 C ATOM 71 CG HIS A 8 12.387 -22.226 6.733 1.00 0.00 C ATOM 72 ND1 HIS A 8 11.575 -21.119 6.765 1.00 0.00 N ATOM 73 CD2 HIS A 8 11.698 -23.220 6.086 1.00 0.00 C ATOM 74 CE1 HIS A 8 10.408 -21.437 6.189 1.00 0.00 C ATOM 75 NE2 HIS A 8 10.445 -22.701 5.731 1.00 0.00 N ATOM 0 H HIS A 8 13.927 -25.197 6.459 1.00 0.00 H new ATOM 0 HA HIS A 8 15.436 -23.317 8.058 1.00 0.00 H new ATOM 0 HB2 HIS A 8 13.822 -21.585 8.148 1.00 0.00 H new ATOM 0 HB3 HIS A 8 14.439 -21.762 6.518 1.00 0.00 H new ATOM 0 HD1 HIS A 8 11.819 -20.211 7.160 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.055 -24.219 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 8 9.560 -20.774 6.105 1.00 0.00 H new ATOM 83 N SER A 9 13.613 -23.741 9.948 1.00 0.00 N ATOM 84 CA SER A 9 12.693 -24.155 10.998 1.00 0.00 C ATOM 85 C SER A 9 12.383 -22.940 11.871 1.00 0.00 C ATOM 86 O SER A 9 13.200 -22.016 11.979 1.00 0.00 O ATOM 87 CB SER A 9 13.295 -25.307 11.812 1.00 0.00 C ATOM 88 OG SER A 9 13.596 -26.411 10.972 1.00 0.00 O ATOM 0 H SER A 9 14.222 -22.971 10.226 1.00 0.00 H new ATOM 0 HA SER A 9 11.763 -24.527 10.567 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.201 -24.969 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.595 -25.615 12.589 1.00 0.00 H new ATOM 0 HG SER A 9 13.320 -26.208 10.054 1.00 0.00 H new ATOM 94 N GLY A 10 11.195 -22.917 12.470 1.00 0.00 N ATOM 95 CA GLY A 10 10.527 -21.671 12.760 1.00 0.00 C ATOM 96 C GLY A 10 9.970 -21.103 11.455 1.00 0.00 C ATOM 97 O GLY A 10 9.798 -21.815 10.464 1.00 0.00 O ATOM 0 H GLY A 10 10.684 -23.751 12.760 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.722 -21.831 13.477 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.223 -20.965 13.214 1.00 0.00 H new ATOM 101 N GLU A 11 9.680 -19.812 11.472 1.00 0.00 N ATOM 102 CA GLU A 11 9.254 -18.956 10.379 1.00 0.00 C ATOM 103 C GLU A 11 7.801 -19.214 9.972 1.00 0.00 C ATOM 104 O GLU A 11 7.468 -19.901 9.003 1.00 0.00 O ATOM 105 CB GLU A 11 10.257 -18.917 9.236 1.00 0.00 C ATOM 106 CG GLU A 11 11.719 -18.876 9.717 1.00 0.00 C ATOM 107 CD GLU A 11 12.671 -18.264 8.696 1.00 0.00 C ATOM 108 OE1 GLU A 11 12.923 -18.871 7.636 1.00 0.00 O ATOM 109 OE2 GLU A 11 13.208 -17.161 8.987 1.00 0.00 O ATOM 0 H GLU A 11 9.744 -19.285 12.343 1.00 0.00 H new ATOM 0 HA GLU A 11 9.249 -17.931 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.113 -19.793 8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.060 -18.042 8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.774 -18.304 10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.047 -19.889 9.948 1.00 0.00 H new ATOM 116 N ASP A 12 6.939 -18.656 10.811 1.00 0.00 N ATOM 117 CA ASP A 12 5.484 -18.799 10.861 1.00 0.00 C ATOM 118 C ASP A 12 4.809 -18.332 9.560 1.00 0.00 C ATOM 119 O ASP A 12 4.070 -19.110 8.964 1.00 0.00 O ATOM 120 CB ASP A 12 4.975 -18.012 12.089 1.00 0.00 C ATOM 121 CG ASP A 12 3.753 -18.598 12.795 1.00 0.00 C ATOM 122 OD1 ASP A 12 3.241 -19.690 12.441 1.00 0.00 O ATOM 123 OD2 ASP A 12 3.334 -18.004 13.812 1.00 0.00 O ATOM 0 H ASP A 12 7.270 -18.031 11.546 1.00 0.00 H new ATOM 0 HA ASP A 12 5.222 -19.853 10.959 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.788 -17.938 12.812 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.736 -16.997 11.773 1.00 0.00 H new ATOM 128 N LEU A 13 5.135 -17.094 9.145 1.00 0.00 N ATOM 129 CA LEU A 13 4.798 -16.262 7.967 1.00 0.00 C ATOM 130 C LEU A 13 3.365 -16.307 7.388 1.00 0.00 C ATOM 131 O LEU A 13 2.745 -17.368 7.326 1.00 0.00 O ATOM 132 CB LEU A 13 5.808 -16.523 6.838 1.00 0.00 C ATOM 133 CG LEU A 13 7.193 -15.905 7.096 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.215 -16.506 6.137 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.194 -14.378 6.928 1.00 0.00 C ATOM 0 H LEU A 13 5.760 -16.554 9.744 1.00 0.00 H new ATOM 0 HA LEU A 13 4.854 -15.256 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.919 -17.599 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.409 -16.124 5.905 1.00 0.00 H new ATOM 0 HG LEU A 13 7.455 -16.131 8.130 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.194 -16.064 6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.268 -17.584 6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.915 -16.300 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.195 -13.991 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.897 -14.124 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.491 -13.934 7.633 1.00 0.00 H new ATOM 147 N PRO A 14 2.830 -15.175 6.881 1.00 0.00 N ATOM 148 CA PRO A 14 1.508 -15.165 6.269 1.00 0.00 C ATOM 149 C PRO A 14 1.429 -15.999 4.984 1.00 0.00 C ATOM 150 O PRO A 14 2.445 -16.411 4.423 1.00 0.00 O ATOM 151 CB PRO A 14 1.150 -13.707 5.982 1.00 0.00 C ATOM 152 CG PRO A 14 2.262 -12.885 6.622 1.00 0.00 C ATOM 153 CD PRO A 14 3.428 -13.853 6.769 1.00 0.00 C ATOM 0 HA PRO A 14 0.800 -15.624 6.959 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.091 -13.521 4.910 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.179 -13.450 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.532 -12.032 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.954 -12.488 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.095 -13.796 5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.024 -13.617 7.650 1.00 0.00 H new ATOM 161 N MET A 15 0.205 -16.217 4.497 1.00 0.00 N ATOM 162 CA MET A 15 -0.104 -17.225 3.484 1.00 0.00 C ATOM 163 C MET A 15 -0.980 -16.697 2.350 1.00 0.00 C ATOM 164 O MET A 15 -0.751 -17.044 1.195 1.00 0.00 O ATOM 165 CB MET A 15 -0.816 -18.399 4.164 1.00 0.00 C ATOM 166 CG MET A 15 0.076 -19.092 5.206 1.00 0.00 C ATOM 167 SD MET A 15 -0.423 -20.749 5.761 1.00 0.00 S ATOM 168 CE MET A 15 -2.201 -20.780 5.456 1.00 0.00 C ATOM 0 H MET A 15 -0.612 -15.688 4.802 1.00 0.00 H new ATOM 0 HA MET A 15 0.840 -17.532 3.034 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.725 -18.040 4.647 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.121 -19.124 3.409 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.083 -19.163 4.794 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.135 -18.446 6.082 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.634 -21.667 5.918 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.659 -19.888 5.884 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.386 -20.803 4.382 1.00 0.00 H new ATOM 178 N VAL A 16 -1.988 -15.872 2.649 1.00 0.00 N ATOM 179 CA VAL A 16 -2.862 -15.287 1.636 1.00 0.00 C ATOM 180 C VAL A 16 -3.056 -13.802 1.948 1.00 0.00 C ATOM 181 O VAL A 16 -2.674 -13.324 3.019 1.00 0.00 O ATOM 182 CB VAL A 16 -4.183 -16.080 1.455 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.933 -17.536 1.034 1.00 0.00 C ATOM 184 CG2 VAL A 16 -5.130 -16.105 2.655 1.00 0.00 C ATOM 0 H VAL A 16 -2.219 -15.593 3.603 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.386 -15.361 0.658 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.678 -15.512 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.887 -18.051 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.395 -17.553 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.339 -18.039 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.016 -16.689 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.624 -16.558 3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.425 -15.086 2.907 1.00 0.00 H new ATOM 194 N ALA A 17 -3.633 -13.081 0.992 1.00 0.00 N ATOM 195 CA ALA A 17 -3.812 -11.644 0.979 1.00 0.00 C ATOM 196 C ALA A 17 -5.321 -11.315 1.025 1.00 0.00 C ATOM 197 O ALA A 17 -6.142 -12.218 0.819 1.00 0.00 O ATOM 198 CB ALA A 17 -3.097 -11.149 -0.282 1.00 0.00 C ATOM 0 H ALA A 17 -4.011 -13.520 0.153 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.385 -11.140 1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.194 -10.066 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.042 -11.416 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.546 -11.612 -1.161 1.00 0.00 H new ATOM 204 N PRO A 18 -5.734 -10.063 1.302 1.00 0.00 N ATOM 205 CA PRO A 18 -7.126 -9.780 1.640 1.00 0.00 C ATOM 206 C PRO A 18 -8.101 -9.905 0.466 1.00 0.00 C ATOM 207 O PRO A 18 -7.792 -9.528 -0.669 1.00 0.00 O ATOM 208 CB PRO A 18 -7.123 -8.390 2.271 1.00 0.00 C ATOM 209 CG PRO A 18 -5.847 -7.725 1.777 1.00 0.00 C ATOM 210 CD PRO A 18 -4.897 -8.886 1.494 1.00 0.00 C ATOM 0 HA PRO A 18 -7.503 -10.532 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.004 -7.821 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.138 -8.452 3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.029 -7.133 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.436 -7.049 2.527 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.295 -8.688 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.205 -9.033 2.323 1.00 0.00 H new ATOM 218 N GLY A 19 -9.288 -10.437 0.758 1.00 0.00 N ATOM 219 CA GLY A 19 -10.422 -10.520 -0.148 1.00 0.00 C ATOM 220 C GLY A 19 -11.010 -9.140 -0.447 1.00 0.00 C ATOM 221 O GLY A 19 -10.529 -8.126 0.069 1.00 0.00 O ATOM 0 H GLY A 19 -9.489 -10.838 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -10.110 -10.992 -1.080 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.191 -11.156 0.289 1.00 0.00 H new ATOM 225 N ASN A 20 -12.039 -9.147 -1.300 1.00 0.00 N ATOM 226 CA ASN A 20 -12.830 -8.031 -1.828 1.00 0.00 C ATOM 227 C ASN A 20 -12.115 -6.685 -1.808 1.00 0.00 C ATOM 228 O ASN A 20 -12.497 -5.740 -1.114 1.00 0.00 O ATOM 229 CB ASN A 20 -14.191 -7.972 -1.132 1.00 0.00 C ATOM 230 CG ASN A 20 -15.105 -6.902 -1.711 1.00 0.00 C ATOM 231 OD1 ASN A 20 -15.681 -6.075 -1.013 1.00 0.00 O ATOM 232 ND2 ASN A 20 -15.276 -6.907 -3.018 1.00 0.00 N ATOM 0 H ASN A 20 -12.375 -10.033 -1.679 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.982 -8.236 -2.888 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.679 -8.943 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.042 -7.780 -0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.891 -6.220 -3.455 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.794 -7.598 -3.593 1.00 0.00 H new ATOM 239 N VAL A 21 -11.062 -6.598 -2.610 1.00 0.00 N ATOM 240 CA VAL A 21 -10.338 -5.365 -2.765 1.00 0.00 C ATOM 241 C VAL A 21 -11.150 -4.438 -3.662 1.00 0.00 C ATOM 242 O VAL A 21 -11.590 -4.808 -4.753 1.00 0.00 O ATOM 243 CB VAL A 21 -8.929 -5.620 -3.305 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.148 -4.313 -3.223 1.00 0.00 C ATOM 245 CG2 VAL A 21 -8.180 -6.620 -2.420 1.00 0.00 C ATOM 0 H VAL A 21 -10.697 -7.375 -3.161 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.204 -4.882 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.012 -6.003 -4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.138 -4.468 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.648 -3.552 -3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.099 -3.983 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.181 -6.786 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.101 -6.223 -1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.724 -7.565 -2.398 1.00 0.00 H new ATOM 255 N ARG A 22 -11.282 -3.198 -3.211 1.00 0.00 N ATOM 256 CA ARG A 22 -11.910 -2.097 -3.934 1.00 0.00 C ATOM 257 C ARG A 22 -11.234 -0.785 -3.548 1.00 0.00 C ATOM 258 O ARG A 22 -10.392 -0.765 -2.653 1.00 0.00 O ATOM 259 CB ARG A 22 -13.430 -2.127 -3.689 1.00 0.00 C ATOM 260 CG ARG A 22 -13.912 -2.260 -2.237 1.00 0.00 C ATOM 261 CD ARG A 22 -15.134 -3.175 -2.149 1.00 0.00 C ATOM 262 NE ARG A 22 -15.762 -3.148 -0.820 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.613 -2.216 -0.369 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.883 -1.136 -1.101 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.204 -2.372 0.809 1.00 0.00 N ATOM 0 H ARG A 22 -10.940 -2.918 -2.292 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.775 -2.199 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.855 -1.212 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.846 -2.958 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.108 -2.659 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.161 -1.276 -1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.865 -2.873 -2.899 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.837 -4.197 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.528 -3.909 -0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.441 -1.014 -2.012 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.532 -0.431 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.010 -3.201 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.852 -1.663 1.153 1.00 0.00 H new ATOM 279 N VAL A 23 -11.467 0.294 -4.286 1.00 0.00 N ATOM 280 CA VAL A 23 -11.002 1.635 -3.953 1.00 0.00 C ATOM 281 C VAL A 23 -12.030 2.648 -4.459 1.00 0.00 C ATOM 282 O VAL A 23 -12.595 2.478 -5.544 1.00 0.00 O ATOM 283 CB VAL A 23 -9.547 1.844 -4.450 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.211 0.980 -5.661 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.086 3.301 -4.580 1.00 0.00 C ATOM 0 H VAL A 23 -11.999 0.259 -5.156 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.937 1.785 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.933 1.478 -3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.181 1.166 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.328 -0.072 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.884 1.227 -6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.056 3.326 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.727 3.823 -5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.147 3.790 -3.608 1.00 0.00 H new ATOM 295 N ASN A 24 -12.252 3.697 -3.673 1.00 0.00 N ATOM 296 CA ASN A 24 -13.166 4.810 -3.892 1.00 0.00 C ATOM 297 C ASN A 24 -12.391 6.114 -3.825 1.00 0.00 C ATOM 298 O ASN A 24 -11.807 6.411 -2.789 1.00 0.00 O ATOM 299 CB ASN A 24 -14.314 4.830 -2.861 1.00 0.00 C ATOM 300 CG ASN A 24 -14.064 4.232 -1.477 1.00 0.00 C ATOM 301 OD1 ASN A 24 -13.903 3.023 -1.311 1.00 0.00 O ATOM 302 ND2 ASN A 24 -14.154 5.028 -0.431 1.00 0.00 N ATOM 0 H ASN A 24 -11.752 3.797 -2.789 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.616 4.687 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.617 5.868 -2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.163 4.305 -3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.090 4.642 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.287 6.031 -0.563 1.00 0.00 H new ATOM 309 N VAL A 25 -12.363 6.910 -4.895 1.00 0.00 N ATOM 310 CA VAL A 25 -11.780 8.250 -4.819 1.00 0.00 C ATOM 311 C VAL A 25 -12.713 9.150 -4.004 1.00 0.00 C ATOM 312 O VAL A 25 -13.926 9.176 -4.239 1.00 0.00 O ATOM 313 CB VAL A 25 -11.445 8.795 -6.216 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.802 10.186 -6.126 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.458 7.833 -6.893 1.00 0.00 C ATOM 0 H VAL A 25 -12.731 6.655 -5.811 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.823 8.218 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.367 8.877 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.575 10.548 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.492 10.875 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.881 10.124 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.210 8.206 -7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.550 7.763 -6.294 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.913 6.846 -6.979 1.00 0.00 H new ATOM 325 N VAL A 26 -12.139 9.850 -3.026 1.00 0.00 N ATOM 326 CA VAL A 26 -12.829 10.628 -2.009 1.00 0.00 C ATOM 327 C VAL A 26 -12.801 12.095 -2.437 1.00 0.00 C ATOM 328 O VAL A 26 -13.850 12.670 -2.733 1.00 0.00 O ATOM 329 CB VAL A 26 -12.178 10.348 -0.631 1.00 0.00 C ATOM 330 CG1 VAL A 26 -12.628 11.327 0.463 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.466 8.895 -0.211 1.00 0.00 C ATOM 0 H VAL A 26 -11.125 9.889 -2.920 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.877 10.348 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.104 10.498 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.135 11.075 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.360 12.343 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.708 11.259 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.008 8.699 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.543 8.743 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.051 8.213 -0.953 1.00 0.00 H new ATOM 341 N ASN A 27 -11.607 12.682 -2.500 1.00 0.00 N ATOM 342 CA ASN A 27 -11.376 14.043 -2.979 1.00 0.00 C ATOM 343 C ASN A 27 -10.522 13.962 -4.240 1.00 0.00 C ATOM 344 O ASN A 27 -10.050 12.888 -4.611 1.00 0.00 O ATOM 345 CB ASN A 27 -10.663 14.927 -1.940 1.00 0.00 C ATOM 346 CG ASN A 27 -11.317 14.994 -0.571 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.526 14.902 -0.409 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.514 15.218 0.448 1.00 0.00 N ATOM 0 H ASN A 27 -10.750 12.210 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.345 14.502 -3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.644 14.561 -1.818 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.593 15.939 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.898 15.317 1.388 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.508 15.292 0.298 1.00 0.00 H new ATOM 355 N SER A 28 -10.208 15.101 -4.851 1.00 0.00 N ATOM 356 CA SER A 28 -9.315 15.142 -6.012 1.00 0.00 C ATOM 357 C SER A 28 -7.900 14.647 -5.690 1.00 0.00 C ATOM 358 O SER A 28 -7.160 14.284 -6.599 1.00 0.00 O ATOM 359 CB SER A 28 -9.309 16.524 -6.692 1.00 0.00 C ATOM 360 OG SER A 28 -10.233 17.404 -6.074 1.00 0.00 O ATOM 0 H SER A 28 -10.559 16.014 -4.562 1.00 0.00 H new ATOM 0 HA SER A 28 -9.724 14.437 -6.736 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.308 16.952 -6.644 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.558 16.414 -7.747 1.00 0.00 H new ATOM 0 HG SER A 28 -10.573 18.040 -6.738 1.00 0.00 H new ATOM 366 N THR A 29 -7.536 14.607 -4.410 1.00 0.00 N ATOM 367 CA THR A 29 -6.190 14.372 -3.902 1.00 0.00 C ATOM 368 C THR A 29 -6.133 13.225 -2.888 1.00 0.00 C ATOM 369 O THR A 29 -5.064 12.909 -2.359 1.00 0.00 O ATOM 370 CB THR A 29 -5.706 15.700 -3.296 1.00 0.00 C ATOM 371 OG1 THR A 29 -6.715 16.340 -2.530 1.00 0.00 O ATOM 372 CG2 THR A 29 -5.264 16.621 -4.428 1.00 0.00 C ATOM 0 H THR A 29 -8.212 14.746 -3.659 1.00 0.00 H new ATOM 0 HA THR A 29 -5.535 14.055 -4.713 1.00 0.00 H new ATOM 0 HB THR A 29 -4.876 15.484 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.365 17.178 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.918 17.568 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.453 16.151 -4.984 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.105 16.804 -5.097 1.00 0.00 H new ATOM 380 N LEU A 30 -7.284 12.608 -2.616 1.00 0.00 N ATOM 381 CA LEU A 30 -7.494 11.642 -1.563 1.00 0.00 C ATOM 382 C LEU A 30 -8.377 10.529 -2.108 1.00 0.00 C ATOM 383 O LEU A 30 -9.458 10.809 -2.619 1.00 0.00 O ATOM 384 CB LEU A 30 -8.177 12.377 -0.401 1.00 0.00 C ATOM 385 CG LEU A 30 -8.330 11.544 0.875 1.00 0.00 C ATOM 386 CD1 LEU A 30 -6.966 11.112 1.411 1.00 0.00 C ATOM 387 CD2 LEU A 30 -9.044 12.413 1.912 1.00 0.00 C ATOM 0 H LEU A 30 -8.130 12.785 -3.157 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.561 11.201 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.603 13.274 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.164 12.706 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.903 10.641 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.102 10.522 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.454 10.511 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.368 11.995 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.169 11.848 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.450 13.305 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.022 12.706 1.530 1.00 0.00 H new ATOM 399 N ALA A 31 -7.969 9.274 -1.969 1.00 0.00 N ATOM 400 CA ALA A 31 -8.819 8.119 -2.240 1.00 0.00 C ATOM 401 C ALA A 31 -8.890 7.258 -0.988 1.00 0.00 C ATOM 402 O ALA A 31 -8.164 7.516 -0.029 1.00 0.00 O ATOM 403 CB ALA A 31 -8.288 7.353 -3.458 1.00 0.00 C ATOM 0 H ALA A 31 -7.029 9.026 -1.662 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.833 8.434 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.928 6.492 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.286 8.009 -4.328 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.272 7.012 -3.259 1.00 0.00 H new ATOM 409 N GLU A 32 -9.736 6.235 -0.979 1.00 0.00 N ATOM 410 CA GLU A 32 -9.884 5.319 0.127 1.00 0.00 C ATOM 411 C GLU A 32 -9.964 3.918 -0.460 1.00 0.00 C ATOM 412 O GLU A 32 -10.829 3.615 -1.275 1.00 0.00 O ATOM 413 CB GLU A 32 -11.087 5.753 0.962 1.00 0.00 C ATOM 414 CG GLU A 32 -11.528 4.655 1.925 1.00 0.00 C ATOM 415 CD GLU A 32 -12.394 5.186 3.059 1.00 0.00 C ATOM 416 OE1 GLU A 32 -13.572 5.534 2.809 1.00 0.00 O ATOM 417 OE2 GLU A 32 -11.944 5.222 4.224 1.00 0.00 O ATOM 0 H GLU A 32 -10.350 6.021 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.041 5.322 0.818 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.835 6.652 1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.914 6.012 0.302 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.082 3.895 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.647 4.167 2.343 1.00 0.00 H new ATOM 424 N VAL A 33 -8.995 3.082 -0.118 1.00 0.00 N ATOM 425 CA VAL A 33 -8.945 1.687 -0.516 1.00 0.00 C ATOM 426 C VAL A 33 -9.772 0.909 0.497 1.00 0.00 C ATOM 427 O VAL A 33 -9.856 1.316 1.655 1.00 0.00 O ATOM 428 CB VAL A 33 -7.479 1.219 -0.538 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.376 -0.219 -1.040 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.671 2.089 -1.506 1.00 0.00 C ATOM 0 H VAL A 33 -8.202 3.364 0.459 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.350 1.530 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.095 1.294 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.331 -0.528 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.944 -0.876 -0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.779 -0.281 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.634 1.753 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.091 2.005 -2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.712 3.129 -1.182 1.00 0.00 H new ATOM 440 N HIS A 34 -10.325 -0.222 0.071 1.00 0.00 N ATOM 441 CA HIS A 34 -11.079 -1.159 0.894 1.00 0.00 C ATOM 442 C HIS A 34 -10.578 -2.576 0.626 1.00 0.00 C ATOM 443 O HIS A 34 -10.133 -2.869 -0.490 1.00 0.00 O ATOM 444 CB HIS A 34 -12.569 -1.017 0.560 1.00 0.00 C ATOM 445 CG HIS A 34 -13.308 -0.155 1.540 1.00 0.00 C ATOM 446 ND1 HIS A 34 -14.192 -0.582 2.507 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.221 1.205 1.613 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.641 0.507 3.149 1.00 0.00 C ATOM 449 NE2 HIS A 34 -14.091 1.623 2.628 1.00 0.00 N ATOM 0 H HIS A 34 -10.256 -0.523 -0.901 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.940 -0.946 1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.673 -0.594 -0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.027 -2.006 0.537 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.597 1.841 1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -15.344 0.492 3.968 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.273 2.584 2.917 1.00 0.00 H new ATOM 457 N TRP A 35 -10.638 -3.438 1.641 1.00 0.00 N ATOM 458 CA TRP A 35 -10.209 -4.829 1.600 1.00 0.00 C ATOM 459 C TRP A 35 -10.870 -5.608 2.752 1.00 0.00 C ATOM 460 O TRP A 35 -11.381 -5.008 3.702 1.00 0.00 O ATOM 461 CB TRP A 35 -8.675 -4.854 1.700 1.00 0.00 C ATOM 462 CG TRP A 35 -8.083 -4.384 3.001 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.046 -5.095 4.151 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.494 -3.088 3.327 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.510 -4.324 5.159 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.109 -3.093 4.699 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.266 -1.896 2.612 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.508 -1.990 5.320 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.668 -0.776 3.222 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.272 -0.827 4.570 1.00 0.00 C ATOM 0 H TRP A 35 -11.004 -3.170 2.554 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.512 -5.308 0.669 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.337 -5.874 1.520 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.270 -4.238 0.898 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.386 -6.114 4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.422 -4.630 6.128 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.556 -1.840 1.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.230 -2.034 6.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.513 0.127 2.651 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.789 0.024 5.026 1.00 0.00 H new ATOM 481 N ASP A 36 -10.853 -6.942 2.712 1.00 0.00 N ATOM 482 CA ASP A 36 -11.462 -7.782 3.755 1.00 0.00 C ATOM 483 C ASP A 36 -10.487 -8.072 4.902 1.00 0.00 C ATOM 484 O ASP A 36 -9.302 -8.299 4.644 1.00 0.00 O ATOM 485 CB ASP A 36 -11.891 -9.139 3.189 1.00 0.00 C ATOM 486 CG ASP A 36 -13.241 -9.133 2.489 1.00 0.00 C ATOM 487 OD1 ASP A 36 -14.115 -8.308 2.833 1.00 0.00 O ATOM 488 OD2 ASP A 36 -13.442 -10.031 1.641 1.00 0.00 O ATOM 0 H ASP A 36 -10.418 -7.474 1.958 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.320 -7.220 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.132 -9.481 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.921 -9.864 4.002 1.00 0.00 H new ATOM 493 N PRO A 37 -10.967 -8.166 6.156 1.00 0.00 N ATOM 494 CA PRO A 37 -10.155 -8.525 7.311 1.00 0.00 C ATOM 495 C PRO A 37 -9.806 -10.013 7.297 1.00 0.00 C ATOM 496 O PRO A 37 -10.642 -10.862 7.629 1.00 0.00 O ATOM 497 CB PRO A 37 -10.988 -8.145 8.531 1.00 0.00 C ATOM 498 CG PRO A 37 -12.435 -8.246 8.041 1.00 0.00 C ATOM 499 CD PRO A 37 -12.347 -7.924 6.554 1.00 0.00 C ATOM 0 HA PRO A 37 -9.198 -8.003 7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.802 -8.820 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.753 -7.138 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.844 -9.242 8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.083 -7.542 8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.031 -8.550 5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.629 -6.888 6.365 1.00 0.00 H new ATOM 507 N VAL A 38 -8.573 -10.334 6.907 1.00 0.00 N ATOM 508 CA VAL A 38 -8.161 -11.720 6.682 1.00 0.00 C ATOM 509 C VAL A 38 -8.192 -12.576 7.962 1.00 0.00 C ATOM 510 O VAL A 38 -8.126 -12.031 9.070 1.00 0.00 O ATOM 511 CB VAL A 38 -6.776 -11.773 6.013 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.880 -11.414 4.544 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.756 -10.861 6.659 1.00 0.00 C ATOM 0 H VAL A 38 -7.837 -9.648 6.739 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.896 -12.158 6.006 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.430 -12.799 6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.891 -11.457 4.088 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.542 -12.120 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.282 -10.406 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.804 -10.951 6.135 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.104 -9.830 6.605 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.624 -11.145 7.703 1.00 0.00 H new ATOM 523 N PRO A 39 -8.262 -13.914 7.834 1.00 0.00 N ATOM 524 CA PRO A 39 -8.270 -14.846 8.952 1.00 0.00 C ATOM 525 C PRO A 39 -6.879 -14.926 9.584 1.00 0.00 C ATOM 526 O PRO A 39 -5.881 -14.963 8.854 1.00 0.00 O ATOM 527 CB PRO A 39 -8.664 -16.206 8.356 1.00 0.00 C ATOM 528 CG PRO A 39 -8.537 -16.085 6.840 1.00 0.00 C ATOM 529 CD PRO A 39 -8.228 -14.620 6.566 1.00 0.00 C ATOM 0 HA PRO A 39 -8.962 -14.533 9.734 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.015 -16.995 8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.684 -16.469 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.744 -16.730 6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.459 -16.390 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.249 -14.517 6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.958 -14.199 5.875 1.00 0.00 H new ATOM 537 N LEU A 40 -6.794 -15.092 10.911 1.00 0.00 N ATOM 538 CA LEU A 40 -5.532 -15.396 11.595 1.00 0.00 C ATOM 539 C LEU A 40 -4.885 -16.655 11.023 1.00 0.00 C ATOM 540 O LEU A 40 -3.663 -16.728 10.930 1.00 0.00 O ATOM 541 CB LEU A 40 -5.676 -15.530 13.119 1.00 0.00 C ATOM 542 CG LEU A 40 -5.857 -14.172 13.828 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.332 -13.910 14.129 1.00 0.00 C ATOM 544 CD2 LEU A 40 -5.063 -14.123 15.134 1.00 0.00 C ATOM 0 H LEU A 40 -7.596 -15.019 11.538 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.886 -14.537 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.531 -16.168 13.343 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.793 -16.028 13.520 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.483 -13.401 13.154 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.436 -12.947 14.629 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.897 -13.898 13.197 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.717 -14.698 14.776 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.209 -13.155 15.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.410 -14.913 15.800 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.004 -14.267 14.921 1.00 0.00 H new ATOM 556 N LYS A 41 -5.682 -17.608 10.535 1.00 0.00 N ATOM 557 CA LYS A 41 -5.179 -18.784 9.833 1.00 0.00 C ATOM 558 C LYS A 41 -4.318 -18.460 8.618 1.00 0.00 C ATOM 559 O LYS A 41 -3.469 -19.280 8.271 1.00 0.00 O ATOM 560 CB LYS A 41 -6.363 -19.654 9.395 1.00 0.00 C ATOM 561 CG LYS A 41 -6.972 -20.487 10.521 1.00 0.00 C ATOM 562 CD LYS A 41 -6.086 -21.689 10.854 1.00 0.00 C ATOM 563 CE LYS A 41 -6.886 -22.700 11.671 1.00 0.00 C ATOM 564 NZ LYS A 41 -6.037 -23.819 12.105 1.00 0.00 N ATOM 0 H LYS A 41 -6.698 -17.583 10.618 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.534 -19.311 10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.136 -19.012 8.973 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.035 -20.322 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.099 -19.867 11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.964 -20.832 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.723 -22.152 9.936 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.210 -21.364 11.415 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.318 -22.208 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.716 -23.079 11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.605 -24.492 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.645 -24.301 11.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.259 -23.457 12.693 1.00 0.00 H new ATOM 578 N SER A 42 -4.534 -17.323 7.955 1.00 0.00 N ATOM 579 CA SER A 42 -3.667 -16.880 6.874 1.00 0.00 C ATOM 580 C SER A 42 -2.523 -16.022 7.394 1.00 0.00 C ATOM 581 O SER A 42 -1.471 -16.010 6.768 1.00 0.00 O ATOM 582 CB SER A 42 -4.457 -16.089 5.839 1.00 0.00 C ATOM 583 OG SER A 42 -4.876 -14.831 6.322 1.00 0.00 O ATOM 0 H SER A 42 -5.310 -16.691 8.154 1.00 0.00 H new ATOM 0 HA SER A 42 -3.251 -17.774 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.843 -15.947 4.950 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.330 -16.666 5.535 1.00 0.00 H new ATOM 0 HG SER A 42 -5.316 -14.944 7.190 1.00 0.00 H new ATOM 589 N ILE A 43 -2.729 -15.293 8.497 1.00 0.00 N ATOM 590 CA ILE A 43 -1.738 -14.409 9.094 1.00 0.00 C ATOM 591 C ILE A 43 -0.599 -15.247 9.657 1.00 0.00 C ATOM 592 O ILE A 43 0.548 -14.821 9.576 1.00 0.00 O ATOM 593 CB ILE A 43 -2.398 -13.563 10.206 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.468 -12.627 9.596 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.356 -12.751 10.998 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.444 -12.014 10.613 1.00 0.00 C ATOM 0 H ILE A 43 -3.613 -15.306 9.006 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.339 -13.731 8.339 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.879 -14.246 10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.964 -11.819 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.040 -13.186 8.856 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.859 -12.169 11.771 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.642 -13.431 11.463 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.829 -12.078 10.322 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.156 -11.373 10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.981 -12.811 11.128 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.888 -11.423 11.340 1.00 0.00 H new ATOM 608 N ARG A 44 -0.928 -16.402 10.246 1.00 0.00 N ATOM 609 CA ARG A 44 -0.039 -17.229 11.042 1.00 0.00 C ATOM 610 C ARG A 44 0.670 -16.391 12.099 1.00 0.00 C ATOM 611 O ARG A 44 1.817 -15.981 11.935 1.00 0.00 O ATOM 612 CB ARG A 44 0.891 -18.032 10.137 1.00 0.00 C ATOM 613 CG ARG A 44 0.101 -19.168 9.456 1.00 0.00 C ATOM 614 CD ARG A 44 1.004 -20.323 9.038 1.00 0.00 C ATOM 615 NE ARG A 44 1.737 -20.854 10.197 1.00 0.00 N ATOM 616 CZ ARG A 44 1.646 -22.046 10.776 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.064 -23.079 10.182 1.00 0.00 N ATOM 618 NH2 ARG A 44 2.148 -22.189 11.990 1.00 0.00 N ATOM 0 H ARG A 44 -1.866 -16.796 10.172 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.615 -17.968 11.599 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.332 -17.380 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.713 -18.447 10.720 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.665 -19.536 10.138 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.415 -18.776 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.406 -21.114 8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.709 -19.984 8.279 1.00 0.00 H new ATOM 0 HE ARG A 44 2.412 -20.215 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.667 -22.973 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.013 -23.979 10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.590 -21.396 12.456 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.094 -23.092 12.461 1.00 0.00 H new ATOM 632 N GLY A 45 -0.043 -16.130 13.191 1.00 0.00 N ATOM 633 CA GLY A 45 0.518 -15.578 14.406 1.00 0.00 C ATOM 634 C GLY A 45 -0.166 -14.273 14.759 1.00 0.00 C ATOM 635 O GLY A 45 -1.271 -14.298 15.303 1.00 0.00 O ATOM 0 H GLY A 45 -1.047 -16.302 13.250 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.402 -16.289 15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.588 -15.412 14.277 1.00 0.00 H new ATOM 639 N HIS A 46 0.497 -13.147 14.487 1.00 0.00 N ATOM 640 CA HIS A 46 0.124 -11.841 15.011 1.00 0.00 C ATOM 641 C HIS A 46 0.257 -10.789 13.909 1.00 0.00 C ATOM 642 O HIS A 46 1.368 -10.350 13.593 1.00 0.00 O ATOM 643 CB HIS A 46 1.031 -11.481 16.205 1.00 0.00 C ATOM 644 CG HIS A 46 0.919 -12.340 17.444 1.00 0.00 C ATOM 645 ND1 HIS A 46 0.562 -11.879 18.690 1.00 0.00 N ATOM 646 CD2 HIS A 46 1.307 -13.647 17.593 1.00 0.00 C ATOM 647 CE1 HIS A 46 0.713 -12.880 19.568 1.00 0.00 C ATOM 648 NE2 HIS A 46 1.159 -13.984 18.946 1.00 0.00 N ATOM 0 H HIS A 46 1.321 -13.122 13.886 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.911 -11.868 15.351 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.066 -11.513 15.864 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.821 -10.450 16.489 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.663 -14.299 16.809 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.506 -12.809 20.626 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.352 -14.890 19.374 1.00 0.00 H new ATOM 656 N LEU A 47 -0.874 -10.368 13.344 1.00 0.00 N ATOM 657 CA LEU A 47 -1.016 -9.323 12.335 1.00 0.00 C ATOM 658 C LEU A 47 -0.372 -8.038 12.843 1.00 0.00 C ATOM 659 O LEU A 47 -0.727 -7.538 13.910 1.00 0.00 O ATOM 660 CB LEU A 47 -2.513 -9.110 12.062 1.00 0.00 C ATOM 661 CG LEU A 47 -2.836 -8.111 10.941 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.451 -8.618 9.546 1.00 0.00 C ATOM 663 CD2 LEU A 47 -4.344 -7.818 10.957 1.00 0.00 C ATOM 0 H LEU A 47 -1.774 -10.776 13.597 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.519 -9.613 11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.961 -10.071 11.811 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.989 -8.767 12.981 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.246 -7.215 11.133 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.706 -7.864 8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.379 -8.813 9.513 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.994 -9.539 9.331 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.585 -7.109 10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.896 -8.744 10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.622 -7.393 11.921 1.00 0.00 H new ATOM 675 N GLN A 48 0.631 -7.542 12.128 1.00 0.00 N ATOM 676 CA GLN A 48 1.313 -6.293 12.436 1.00 0.00 C ATOM 677 C GLN A 48 0.553 -5.138 11.782 1.00 0.00 C ATOM 678 O GLN A 48 0.258 -4.131 12.432 1.00 0.00 O ATOM 679 CB GLN A 48 2.749 -6.375 11.895 1.00 0.00 C ATOM 680 CG GLN A 48 3.711 -7.211 12.751 1.00 0.00 C ATOM 681 CD GLN A 48 4.205 -6.542 14.030 1.00 0.00 C ATOM 682 OE1 GLN A 48 4.449 -5.339 14.086 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.428 -7.310 15.080 1.00 0.00 N ATOM 0 H GLN A 48 1.000 -8.008 11.299 1.00 0.00 H new ATOM 0 HA GLN A 48 1.346 -6.124 13.512 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.720 -6.795 10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.148 -5.364 11.807 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.214 -8.144 13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.576 -7.474 12.142 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.225 -8.309 15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.803 -6.905 15.938 1.00 0.00 H new ATOM 692 N GLY A 49 0.227 -5.279 10.496 1.00 0.00 N ATOM 693 CA GLY A 49 -0.380 -4.232 9.704 1.00 0.00 C ATOM 694 C GLY A 49 -0.715 -4.725 8.305 1.00 0.00 C ATOM 695 O GLY A 49 -0.289 -5.806 7.887 1.00 0.00 O ATOM 0 H GLY A 49 0.384 -6.142 9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.287 -3.880 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.298 -3.381 9.640 1.00 0.00 H new ATOM 699 N TYR A 50 -1.407 -3.875 7.555 1.00 0.00 N ATOM 700 CA TYR A 50 -1.500 -3.948 6.108 1.00 0.00 C ATOM 701 C TYR A 50 -0.515 -2.924 5.547 1.00 0.00 C ATOM 702 O TYR A 50 -0.430 -1.791 6.032 1.00 0.00 O ATOM 703 CB TYR A 50 -2.939 -3.671 5.644 1.00 0.00 C ATOM 704 CG TYR A 50 -3.949 -4.700 6.127 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.154 -5.893 5.404 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.678 -4.468 7.308 1.00 0.00 C ATOM 707 CE1 TYR A 50 -5.081 -6.851 5.860 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.585 -5.433 7.781 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.800 -6.626 7.056 1.00 0.00 C ATOM 710 OH TYR A 50 -6.693 -7.550 7.509 1.00 0.00 O ATOM 0 H TYR A 50 -1.932 -3.096 7.951 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.249 -4.945 5.746 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.241 -2.685 5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.960 -3.639 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.598 -6.073 4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.541 -3.546 7.853 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.242 -7.758 5.296 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.120 -5.261 8.703 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.096 -7.234 8.344 1.00 0.00 H new ATOM 720 N ARG A 51 0.240 -3.309 4.521 1.00 0.00 N ATOM 721 CA ARG A 51 1.023 -2.384 3.708 1.00 0.00 C ATOM 722 C ARG A 51 0.283 -2.252 2.380 1.00 0.00 C ATOM 723 O ARG A 51 -0.398 -3.193 1.966 1.00 0.00 O ATOM 724 CB ARG A 51 2.457 -2.932 3.565 1.00 0.00 C ATOM 725 CG ARG A 51 3.421 -1.951 2.879 1.00 0.00 C ATOM 726 CD ARG A 51 4.865 -2.468 2.850 1.00 0.00 C ATOM 727 NE ARG A 51 5.507 -2.416 4.171 1.00 0.00 N ATOM 728 CZ ARG A 51 6.743 -2.850 4.446 1.00 0.00 C ATOM 729 NH1 ARG A 51 7.537 -3.296 3.476 1.00 0.00 N ATOM 730 NH2 ARG A 51 7.175 -2.817 5.700 1.00 0.00 N ATOM 0 H ARG A 51 0.326 -4.282 4.228 1.00 0.00 H new ATOM 0 HA ARG A 51 1.123 -1.394 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.844 -3.178 4.554 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.428 -3.860 2.994 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.083 -1.769 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.392 -0.994 3.400 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.873 -3.495 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.446 -1.875 2.143 1.00 0.00 H new ATOM 0 HE ARG A 51 4.968 -2.017 4.940 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.206 -3.310 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.477 -3.624 3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.568 -2.464 6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.115 -3.144 5.925 1.00 0.00 H new ATOM 744 N ILE A 52 0.418 -1.118 1.700 1.00 0.00 N ATOM 745 CA ILE A 52 -0.075 -0.949 0.338 1.00 0.00 C ATOM 746 C ILE A 52 1.106 -0.459 -0.487 1.00 0.00 C ATOM 747 O ILE A 52 1.738 0.533 -0.116 1.00 0.00 O ATOM 748 CB ILE A 52 -1.320 -0.023 0.301 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.512 -0.728 0.985 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.685 0.429 -1.125 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.836 0.042 0.982 1.00 0.00 C ATOM 0 H ILE A 52 0.874 -0.288 2.079 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.438 -1.883 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.073 0.885 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.671 -1.688 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.239 -0.940 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.563 1.074 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.849 0.978 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.902 -0.445 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.601 -0.547 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.706 0.991 1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.145 0.231 -0.046 1.00 0.00 H new ATOM 763 N TYR A 53 1.412 -1.149 -1.587 1.00 0.00 N ATOM 764 CA TYR A 53 2.282 -0.631 -2.636 1.00 0.00 C ATOM 765 C TYR A 53 1.410 0.044 -3.673 1.00 0.00 C ATOM 766 O TYR A 53 0.321 -0.441 -3.955 1.00 0.00 O ATOM 767 CB TYR A 53 3.145 -1.737 -3.271 1.00 0.00 C ATOM 768 CG TYR A 53 4.363 -2.155 -2.460 1.00 0.00 C ATOM 769 CD1 TYR A 53 4.200 -2.793 -1.216 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.664 -1.958 -2.969 1.00 0.00 C ATOM 771 CE1 TYR A 53 5.315 -3.226 -0.484 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.788 -2.346 -2.211 1.00 0.00 C ATOM 773 CZ TYR A 53 6.619 -2.982 -0.961 1.00 0.00 C ATOM 774 OH TYR A 53 7.688 -3.368 -0.210 1.00 0.00 O ATOM 0 H TYR A 53 1.060 -2.088 -1.773 1.00 0.00 H new ATOM 0 HA TYR A 53 2.981 0.085 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.519 -2.614 -3.435 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.480 -1.397 -4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.207 -2.951 -0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.799 -1.509 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.174 -3.749 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.782 -2.156 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 53 8.517 -3.131 -0.675 1.00 0.00 H new ATOM 784 N TYR A 54 1.860 1.169 -4.225 1.00 0.00 N ATOM 785 CA TYR A 54 1.172 1.906 -5.262 1.00 0.00 C ATOM 786 C TYR A 54 2.156 2.694 -6.114 1.00 0.00 C ATOM 787 O TYR A 54 3.279 2.961 -5.688 1.00 0.00 O ATOM 788 CB TYR A 54 0.140 2.824 -4.601 1.00 0.00 C ATOM 789 CG TYR A 54 0.655 3.935 -3.711 1.00 0.00 C ATOM 790 CD1 TYR A 54 1.001 3.643 -2.382 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.642 5.267 -4.162 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.343 4.685 -1.497 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.974 6.314 -3.282 1.00 0.00 C ATOM 794 CZ TYR A 54 1.327 6.027 -1.945 1.00 0.00 C ATOM 795 OH TYR A 54 1.631 7.038 -1.085 1.00 0.00 O ATOM 0 H TYR A 54 2.742 1.599 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 54 0.662 1.214 -5.932 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.460 3.277 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.531 2.202 -4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.005 2.619 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.377 5.487 -5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.617 4.459 -0.477 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.959 7.337 -3.629 1.00 0.00 H new ATOM 0 HH TYR A 54 1.573 7.896 -1.555 1.00 0.00 H new ATOM 805 N TRP A 55 1.741 3.075 -7.317 1.00 0.00 N ATOM 806 CA TRP A 55 2.531 3.901 -8.211 1.00 0.00 C ATOM 807 C TRP A 55 1.624 4.776 -9.063 1.00 0.00 C ATOM 808 O TRP A 55 0.440 4.481 -9.262 1.00 0.00 O ATOM 809 CB TRP A 55 3.437 3.024 -9.083 1.00 0.00 C ATOM 810 CG TRP A 55 2.773 1.928 -9.858 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.318 2.021 -11.127 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.505 0.558 -9.436 1.00 0.00 C ATOM 813 NE1 TRP A 55 1.799 0.805 -11.522 1.00 0.00 N ATOM 814 CE2 TRP A 55 1.864 -0.131 -10.508 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.758 -0.175 -8.258 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.482 -1.478 -10.405 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.384 -1.526 -8.148 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.743 -2.180 -9.216 1.00 0.00 C ATOM 0 H TRP A 55 0.833 2.813 -7.700 1.00 0.00 H new ATOM 0 HA TRP A 55 3.168 4.557 -7.617 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.959 3.671 -9.788 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.195 2.575 -8.441 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.355 2.911 -11.738 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.415 0.620 -12.449 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.247 0.310 -7.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 0.992 -1.970 -11.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.591 -2.066 -7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.453 -3.216 -9.123 1.00 0.00 H new ATOM 829 N LYS A 56 2.217 5.857 -9.564 1.00 0.00 N ATOM 830 CA LYS A 56 1.654 6.742 -10.563 1.00 0.00 C ATOM 831 C LYS A 56 1.602 5.962 -11.863 1.00 0.00 C ATOM 832 O LYS A 56 2.631 5.450 -12.315 1.00 0.00 O ATOM 833 CB LYS A 56 2.583 7.957 -10.694 1.00 0.00 C ATOM 834 CG LYS A 56 2.075 9.051 -11.639 1.00 0.00 C ATOM 835 CD LYS A 56 0.988 9.908 -10.982 1.00 0.00 C ATOM 836 CE LYS A 56 0.797 11.253 -11.688 1.00 0.00 C ATOM 837 NZ LYS A 56 1.871 12.227 -11.378 1.00 0.00 N ATOM 0 H LYS A 56 3.148 6.148 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 56 0.655 7.089 -10.300 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.734 8.391 -9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.557 7.616 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.907 9.687 -11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.679 8.594 -12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.045 9.361 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.249 10.083 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.762 11.090 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.165 11.676 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.689 13.117 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.891 12.408 -10.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.788 11.840 -11.679 1.00 0.00 H new ATOM 851 N THR A 57 0.438 5.922 -12.484 1.00 0.00 N ATOM 852 CA THR A 57 0.250 5.369 -13.812 1.00 0.00 C ATOM 853 C THR A 57 -0.050 6.575 -14.721 1.00 0.00 C ATOM 854 O THR A 57 -0.312 7.677 -14.234 1.00 0.00 O ATOM 855 CB THR A 57 -0.831 4.268 -13.712 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.431 3.334 -12.720 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.020 3.458 -14.996 1.00 0.00 C ATOM 0 H THR A 57 -0.422 6.281 -12.070 1.00 0.00 H new ATOM 0 HA THR A 57 1.109 4.861 -14.250 1.00 0.00 H new ATOM 0 HB THR A 57 -1.764 4.785 -13.488 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.547 3.329 -12.651 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.795 2.707 -14.842 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.316 4.124 -15.806 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.084 2.964 -15.256 1.00 0.00 H new ATOM 865 N GLN A 58 0.018 6.404 -16.043 1.00 0.00 N ATOM 866 CA GLN A 58 -0.304 7.442 -17.025 1.00 0.00 C ATOM 867 C GLN A 58 0.565 8.716 -16.943 1.00 0.00 C ATOM 868 O GLN A 58 0.196 9.710 -17.568 1.00 0.00 O ATOM 869 CB GLN A 58 -1.817 7.761 -17.014 1.00 0.00 C ATOM 870 CG GLN A 58 -2.743 6.557 -17.227 1.00 0.00 C ATOM 871 CD GLN A 58 -2.515 5.902 -18.579 1.00 0.00 C ATOM 872 OE1 GLN A 58 -1.672 5.020 -18.724 1.00 0.00 O ATOM 873 NE2 GLN A 58 -3.236 6.350 -19.591 1.00 0.00 N ATOM 0 H GLN A 58 0.304 5.523 -16.469 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.044 7.014 -17.993 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.066 8.226 -16.060 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.022 8.498 -17.791 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.576 5.826 -16.436 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.781 6.879 -17.150 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.928 7.083 -19.439 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.100 5.963 -20.525 1.00 0.00 H new ATOM 882 N SER A 59 1.716 8.714 -16.255 1.00 0.00 N ATOM 883 CA SER A 59 2.696 9.798 -16.355 1.00 0.00 C ATOM 884 C SER A 59 3.855 9.355 -17.251 1.00 0.00 C ATOM 885 O SER A 59 4.185 10.043 -18.216 1.00 0.00 O ATOM 886 CB SER A 59 3.152 10.240 -14.959 1.00 0.00 C ATOM 887 OG SER A 59 3.510 11.609 -14.971 1.00 0.00 O ATOM 0 H SER A 59 1.990 7.965 -15.619 1.00 0.00 H new ATOM 0 HA SER A 59 2.241 10.673 -16.819 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.352 10.072 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 59 4.002 9.637 -14.639 1.00 0.00 H new ATOM 0 HG SER A 59 3.798 11.880 -14.074 1.00 0.00 H new ATOM 893 N SER A 60 4.403 8.164 -16.994 1.00 0.00 N ATOM 894 CA SER A 60 5.445 7.504 -17.763 1.00 0.00 C ATOM 895 C SER A 60 6.674 8.407 -17.970 1.00 0.00 C ATOM 896 O SER A 60 6.879 8.942 -19.060 1.00 0.00 O ATOM 897 CB SER A 60 4.831 6.953 -19.059 1.00 0.00 C ATOM 898 OG SER A 60 5.610 5.884 -19.562 1.00 0.00 O ATOM 0 H SER A 60 4.108 7.606 -16.193 1.00 0.00 H new ATOM 0 HA SER A 60 5.841 6.656 -17.205 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.813 6.611 -18.869 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.767 7.746 -19.804 1.00 0.00 H new ATOM 0 HG SER A 60 5.204 5.543 -20.387 1.00 0.00 H new ATOM 904 N SER A 61 7.503 8.494 -16.923 1.00 0.00 N ATOM 905 CA SER A 61 8.763 9.229 -16.772 1.00 0.00 C ATOM 906 C SER A 61 9.456 9.668 -18.077 1.00 0.00 C ATOM 907 O SER A 61 9.599 10.873 -18.276 1.00 0.00 O ATOM 908 CB SER A 61 9.659 8.406 -15.832 1.00 0.00 C ATOM 909 OG SER A 61 10.910 8.998 -15.555 1.00 0.00 O ATOM 0 H SER A 61 7.280 7.993 -16.063 1.00 0.00 H new ATOM 0 HA SER A 61 8.539 10.202 -16.334 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.130 8.246 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.825 7.424 -16.275 1.00 0.00 H new ATOM 0 HG SER A 61 11.207 8.732 -14.660 1.00 0.00 H new ATOM 915 N LYS A 62 9.842 8.732 -18.963 1.00 0.00 N ATOM 916 CA LYS A 62 10.455 8.976 -20.283 1.00 0.00 C ATOM 917 C LYS A 62 11.863 9.572 -20.203 1.00 0.00 C ATOM 918 O LYS A 62 12.082 10.640 -19.650 1.00 0.00 O ATOM 919 CB LYS A 62 9.523 9.839 -21.157 1.00 0.00 C ATOM 920 CG LYS A 62 9.837 9.808 -22.664 1.00 0.00 C ATOM 921 CD LYS A 62 8.616 10.354 -23.432 1.00 0.00 C ATOM 922 CE LYS A 62 8.703 10.275 -24.958 1.00 0.00 C ATOM 923 NZ LYS A 62 8.768 8.890 -25.468 1.00 0.00 N ATOM 0 H LYS A 62 9.730 7.737 -18.769 1.00 0.00 H new ATOM 0 HA LYS A 62 10.580 8.002 -20.755 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.496 9.505 -21.007 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.576 10.871 -20.810 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.720 10.410 -22.879 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.060 8.790 -22.983 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.731 9.806 -23.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.467 11.396 -23.148 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.836 10.774 -25.391 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.585 10.820 -25.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.825 8.905 -26.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.610 8.417 -25.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.915 8.372 -25.176 1.00 0.00 H new ATOM 937 N ARG A 63 12.830 8.916 -20.849 1.00 0.00 N ATOM 938 CA ARG A 63 14.218 9.351 -21.001 1.00 0.00 C ATOM 939 C ARG A 63 14.893 9.679 -19.669 1.00 0.00 C ATOM 940 O ARG A 63 15.545 8.798 -19.105 1.00 0.00 O ATOM 941 CB ARG A 63 14.319 10.445 -22.097 1.00 0.00 C ATOM 942 CG ARG A 63 15.163 10.044 -23.325 1.00 0.00 C ATOM 943 CD ARG A 63 16.528 10.746 -23.334 1.00 0.00 C ATOM 944 NE ARG A 63 17.196 10.648 -24.646 1.00 0.00 N ATOM 945 CZ ARG A 63 17.924 9.619 -25.093 1.00 0.00 C ATOM 946 NH1 ARG A 63 18.045 8.513 -24.370 1.00 0.00 N ATOM 947 NH2 ARG A 63 18.529 9.686 -26.272 1.00 0.00 N ATOM 0 H ARG A 63 12.655 8.020 -21.304 1.00 0.00 H new ATOM 0 HA ARG A 63 14.814 8.513 -21.363 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.313 10.701 -22.431 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.747 11.345 -21.656 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.310 8.964 -23.328 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.620 10.294 -24.236 1.00 0.00 H new ATOM 0 HD2 ARG A 63 16.396 11.796 -23.073 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.167 10.305 -22.569 1.00 0.00 H new ATOM 0 HE ARG A 63 17.092 11.444 -25.275 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.581 8.442 -23.465 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.602 7.734 -24.720 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.440 10.526 -26.844 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.083 8.897 -26.607 1.00 0.00 H new ATOM 961 N ASN A 64 14.801 10.922 -19.203 1.00 0.00 N ATOM 962 CA ASN A 64 15.597 11.473 -18.108 1.00 0.00 C ATOM 963 C ASN A 64 15.320 10.724 -16.802 1.00 0.00 C ATOM 964 O ASN A 64 14.237 10.847 -16.235 1.00 0.00 O ATOM 965 CB ASN A 64 15.321 12.977 -17.959 1.00 0.00 C ATOM 966 CG ASN A 64 16.308 13.618 -16.995 1.00 0.00 C ATOM 967 OD1 ASN A 64 15.942 14.085 -15.927 1.00 0.00 O ATOM 968 ND2 ASN A 64 17.584 13.682 -17.350 1.00 0.00 N ATOM 0 H ASN A 64 14.145 11.599 -19.592 1.00 0.00 H new ATOM 0 HA ASN A 64 16.653 11.342 -18.342 1.00 0.00 H new ATOM 0 HB2 ASN A 64 15.391 13.462 -18.933 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.304 13.130 -17.599 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.264 14.122 -16.731 1.00 0.00 H new ATOM 0 HD22 ASN A 64 17.885 13.291 -18.243 1.00 0.00 H new ATOM 975 N ARG A 65 16.289 9.913 -16.359 1.00 0.00 N ATOM 976 CA ARG A 65 16.172 8.972 -15.241 1.00 0.00 C ATOM 977 C ARG A 65 14.880 8.145 -15.306 1.00 0.00 C ATOM 978 O ARG A 65 14.204 7.965 -14.303 1.00 0.00 O ATOM 979 CB ARG A 65 16.376 9.733 -13.914 1.00 0.00 C ATOM 980 CG ARG A 65 16.864 8.819 -12.779 1.00 0.00 C ATOM 981 CD ARG A 65 17.482 9.630 -11.625 1.00 0.00 C ATOM 982 NE ARG A 65 18.448 8.842 -10.834 1.00 0.00 N ATOM 983 CZ ARG A 65 19.661 8.448 -11.252 1.00 0.00 C ATOM 984 NH1 ARG A 65 20.094 8.736 -12.475 1.00 0.00 N ATOM 985 NH2 ARG A 65 20.472 7.749 -10.469 1.00 0.00 N ATOM 0 H ARG A 65 17.214 9.895 -16.789 1.00 0.00 H new ATOM 0 HA ARG A 65 16.962 8.224 -15.310 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.099 10.535 -14.066 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.437 10.202 -13.620 1.00 0.00 H new ATOM 0 HG2 ARG A 65 16.029 8.228 -12.403 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.602 8.117 -13.168 1.00 0.00 H new ATOM 0 HD2 ARG A 65 17.981 10.510 -12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.687 9.988 -10.970 1.00 0.00 H new ATOM 0 HE ARG A 65 18.170 8.574 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.501 9.265 -13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.019 8.428 -12.774 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.179 7.499 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.389 7.462 -10.811 1.00 0.00 H new ATOM 999 N ARG A 66 14.544 7.617 -16.490 1.00 0.00 N ATOM 1000 CA ARG A 66 13.346 6.813 -16.734 1.00 0.00 C ATOM 1001 C ARG A 66 13.204 5.699 -15.695 1.00 0.00 C ATOM 1002 O ARG A 66 13.909 4.694 -15.808 1.00 0.00 O ATOM 1003 CB ARG A 66 13.353 6.260 -18.164 1.00 0.00 C ATOM 1004 CG ARG A 66 12.125 5.365 -18.387 1.00 0.00 C ATOM 1005 CD ARG A 66 11.893 5.117 -19.871 1.00 0.00 C ATOM 1006 NE ARG A 66 10.724 4.245 -20.074 1.00 0.00 N ATOM 1007 CZ ARG A 66 10.705 2.905 -20.039 1.00 0.00 C ATOM 1008 NH1 ARG A 66 11.817 2.176 -20.037 1.00 0.00 N ATOM 1009 NH2 ARG A 66 9.554 2.254 -19.989 1.00 0.00 N ATOM 0 H ARG A 66 15.116 7.742 -17.325 1.00 0.00 H new ATOM 0 HA ARG A 66 12.473 7.458 -16.630 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.349 7.081 -18.880 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.265 5.690 -18.338 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.266 4.414 -17.873 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.244 5.835 -17.951 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.739 6.066 -20.384 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.778 4.657 -20.311 1.00 0.00 H new ATOM 0 HE ARG A 66 9.835 4.709 -20.261 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.728 2.635 -20.063 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.759 1.158 -20.010 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.675 2.772 -19.977 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.546 1.234 -19.963 1.00 0.00 H new ATOM 1023 N HIS A 67 12.273 5.825 -14.752 1.00 0.00 N ATOM 1024 CA HIS A 67 11.795 4.735 -13.905 1.00 0.00 C ATOM 1025 C HIS A 67 10.360 5.045 -13.466 1.00 0.00 C ATOM 1026 O HIS A 67 9.772 6.002 -13.972 1.00 0.00 O ATOM 1027 CB HIS A 67 12.792 4.426 -12.771 1.00 0.00 C ATOM 1028 CG HIS A 67 13.096 5.476 -11.735 1.00 0.00 C ATOM 1029 ND1 HIS A 67 13.360 6.812 -11.928 1.00 0.00 N ATOM 1030 CD2 HIS A 67 13.439 5.183 -10.446 1.00 0.00 C ATOM 1031 CE1 HIS A 67 13.825 7.320 -10.780 1.00 0.00 C ATOM 1032 NE2 HIS A 67 13.916 6.357 -9.847 1.00 0.00 N ATOM 0 H HIS A 67 11.817 6.715 -14.550 1.00 0.00 H new ATOM 0 HA HIS A 67 11.748 3.798 -14.459 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.422 3.546 -12.244 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.737 4.145 -13.236 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.225 7.328 -12.798 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.357 4.216 -9.971 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.089 8.356 -10.626 1.00 0.00 H new ATOM 1040 N ILE A 68 9.747 4.209 -12.630 1.00 0.00 N ATOM 1041 CA ILE A 68 8.404 4.400 -12.090 1.00 0.00 C ATOM 1042 C ILE A 68 8.585 4.548 -10.585 1.00 0.00 C ATOM 1043 O ILE A 68 9.296 3.769 -9.951 1.00 0.00 O ATOM 1044 CB ILE A 68 7.474 3.220 -12.468 1.00 0.00 C ATOM 1045 CG1 ILE A 68 7.259 3.183 -13.996 1.00 0.00 C ATOM 1046 CG2 ILE A 68 6.117 3.321 -11.742 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.433 1.990 -14.497 1.00 0.00 C ATOM 0 H ILE A 68 10.188 3.351 -12.299 1.00 0.00 H new ATOM 0 HA ILE A 68 7.918 5.283 -12.505 1.00 0.00 H new ATOM 0 HB ILE A 68 7.956 2.295 -12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.764 4.105 -14.302 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.232 3.165 -14.486 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.487 2.479 -12.029 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.279 3.303 -10.664 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.624 4.253 -12.019 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.333 2.046 -15.581 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.935 1.061 -14.226 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.444 2.015 -14.040 1.00 0.00 H new ATOM 1059 N GLU A 69 7.956 5.563 -10.010 1.00 0.00 N ATOM 1060 CA GLU A 69 7.971 5.818 -8.580 1.00 0.00 C ATOM 1061 C GLU A 69 6.977 4.868 -7.932 1.00 0.00 C ATOM 1062 O GLU A 69 5.768 5.004 -8.137 1.00 0.00 O ATOM 1063 CB GLU A 69 7.624 7.281 -8.317 1.00 0.00 C ATOM 1064 CG GLU A 69 8.787 8.164 -8.785 1.00 0.00 C ATOM 1065 CD GLU A 69 8.301 9.445 -9.463 1.00 0.00 C ATOM 1066 OE1 GLU A 69 7.624 9.354 -10.517 1.00 0.00 O ATOM 1067 OE2 GLU A 69 8.627 10.552 -8.985 1.00 0.00 O ATOM 0 H GLU A 69 7.410 6.245 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 69 8.958 5.643 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.710 7.552 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.436 7.438 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.412 8.422 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.412 7.602 -9.479 1.00 0.00 H new ATOM 1074 N LYS A 70 7.493 3.890 -7.193 1.00 0.00 N ATOM 1075 CA LYS A 70 6.712 2.848 -6.532 1.00 0.00 C ATOM 1076 C LYS A 70 6.739 3.127 -5.043 1.00 0.00 C ATOM 1077 O LYS A 70 7.707 2.806 -4.346 1.00 0.00 O ATOM 1078 CB LYS A 70 7.207 1.437 -6.866 1.00 0.00 C ATOM 1079 CG LYS A 70 7.100 1.093 -8.354 1.00 0.00 C ATOM 1080 CD LYS A 70 7.339 -0.407 -8.546 1.00 0.00 C ATOM 1081 CE LYS A 70 7.513 -0.695 -10.042 1.00 0.00 C ATOM 1082 NZ LYS A 70 8.193 -1.980 -10.290 1.00 0.00 N ATOM 0 H LYS A 70 8.496 3.798 -7.033 1.00 0.00 H new ATOM 0 HA LYS A 70 5.686 2.875 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.246 1.340 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.631 0.712 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.115 1.367 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.831 1.665 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.226 -0.721 -7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.499 -0.976 -8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.535 -0.705 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.086 0.111 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.288 -2.131 -11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.137 -1.963 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.635 -2.754 -9.877 1.00 0.00 H new ATOM 1096 N LYS A 71 5.692 3.795 -4.591 1.00 0.00 N ATOM 1097 CA LYS A 71 5.505 4.330 -3.269 1.00 0.00 C ATOM 1098 C LYS A 71 4.875 3.276 -2.369 1.00 0.00 C ATOM 1099 O LYS A 71 4.358 2.260 -2.847 1.00 0.00 O ATOM 1100 CB LYS A 71 4.620 5.579 -3.452 1.00 0.00 C ATOM 1101 CG LYS A 71 4.977 6.675 -2.453 1.00 0.00 C ATOM 1102 CD LYS A 71 4.801 8.075 -3.052 1.00 0.00 C ATOM 1103 CE LYS A 71 5.228 9.144 -2.043 1.00 0.00 C ATOM 1104 NZ LYS A 71 5.765 10.362 -2.688 1.00 0.00 N ATOM 0 H LYS A 71 4.892 3.988 -5.193 1.00 0.00 H new ATOM 0 HA LYS A 71 6.440 4.607 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.734 5.960 -4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.572 5.304 -3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.349 6.578 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.009 6.547 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.395 8.166 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.760 8.228 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.373 9.414 -1.423 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.985 8.727 -1.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.038 11.050 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.599 10.114 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.037 10.779 -3.302 1.00 0.00 H new ATOM 1118 N ILE A 72 4.938 3.509 -1.061 1.00 0.00 N ATOM 1119 CA ILE A 72 4.489 2.570 -0.042 1.00 0.00 C ATOM 1120 C ILE A 72 3.684 3.352 0.994 1.00 0.00 C ATOM 1121 O ILE A 72 3.928 4.541 1.232 1.00 0.00 O ATOM 1122 CB ILE A 72 5.690 1.806 0.572 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.438 0.948 -0.482 1.00 0.00 C ATOM 1124 CG2 ILE A 72 5.253 0.862 1.705 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.790 1.546 -0.853 1.00 0.00 C ATOM 0 H ILE A 72 5.311 4.376 -0.673 1.00 0.00 H new ATOM 0 HA ILE A 72 3.847 1.803 -0.475 1.00 0.00 H new ATOM 0 HB ILE A 72 6.352 2.580 0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.582 -0.060 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.824 0.858 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.126 0.347 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.777 1.440 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.546 0.129 1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.278 0.912 -1.593 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.645 2.543 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.416 1.611 0.037 1.00 0.00 H new ATOM 1137 N LEU A 73 2.716 2.666 1.590 1.00 0.00 N ATOM 1138 CA LEU A 73 1.716 3.138 2.521 1.00 0.00 C ATOM 1139 C LEU A 73 1.675 2.155 3.690 1.00 0.00 C ATOM 1140 O LEU A 73 1.800 0.949 3.453 1.00 0.00 O ATOM 1141 CB LEU A 73 0.388 3.117 1.785 1.00 0.00 C ATOM 1142 CG LEU A 73 -0.604 4.189 2.144 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.102 5.587 1.912 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.763 3.966 1.196 1.00 0.00 C ATOM 0 H LEU A 73 2.607 1.668 1.411 1.00 0.00 H new ATOM 0 HA LEU A 73 1.930 4.141 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.591 3.186 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.081 2.148 1.958 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.841 4.116 3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.874 6.302 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.790 5.758 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.143 5.715 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.538 4.708 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.415 4.062 0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.171 2.967 1.349 1.00 0.00 H new ATOM 1156 N THR A 74 1.444 2.633 4.911 1.00 0.00 N ATOM 1157 CA THR A 74 1.608 1.837 6.123 1.00 0.00 C ATOM 1158 C THR A 74 0.353 1.975 6.990 1.00 0.00 C ATOM 1159 O THR A 74 0.057 3.078 7.453 1.00 0.00 O ATOM 1160 CB THR A 74 2.886 2.314 6.841 1.00 0.00 C ATOM 1161 OG1 THR A 74 4.014 2.184 5.990 1.00 0.00 O ATOM 1162 CG2 THR A 74 3.170 1.517 8.114 1.00 0.00 C ATOM 0 H THR A 74 1.136 3.589 5.087 1.00 0.00 H new ATOM 0 HA THR A 74 1.723 0.777 5.897 1.00 0.00 H new ATOM 0 HB THR A 74 2.714 3.358 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.816 2.493 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.080 1.892 8.582 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.335 1.626 8.806 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.298 0.464 7.863 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.372 0.876 7.228 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.550 0.839 8.088 1.00 0.00 C ATOM 1172 C PHE A 75 -1.393 -0.290 9.095 1.00 0.00 C ATOM 1173 O PHE A 75 -1.838 -1.412 8.866 1.00 0.00 O ATOM 1174 CB PHE A 75 -2.831 0.686 7.259 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.092 1.856 6.343 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.347 3.130 6.886 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -3.020 1.685 4.949 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.485 4.239 6.038 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -3.167 2.798 4.110 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.370 4.076 4.651 1.00 0.00 C ATOM 0 H PHE A 75 -0.147 -0.030 6.817 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.637 1.782 8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.764 -0.225 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.679 0.565 7.933 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.436 3.253 7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.853 0.704 4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.680 5.217 6.453 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.124 2.671 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.438 4.934 3.999 1.00 0.00 H new ATOM 1190 N GLN A 76 -0.725 -0.001 10.207 1.00 0.00 N ATOM 1191 CA GLN A 76 -0.607 -0.923 11.322 1.00 0.00 C ATOM 1192 C GLN A 76 -1.964 -1.124 11.986 1.00 0.00 C ATOM 1193 O GLN A 76 -2.748 -0.176 12.105 1.00 0.00 O ATOM 1194 CB GLN A 76 0.353 -0.322 12.339 1.00 0.00 C ATOM 1195 CG GLN A 76 1.798 -0.317 11.841 1.00 0.00 C ATOM 1196 CD GLN A 76 2.620 0.759 12.541 1.00 0.00 C ATOM 1197 OE1 GLN A 76 2.336 1.172 13.667 1.00 0.00 O ATOM 1198 NE2 GLN A 76 3.632 1.259 11.863 1.00 0.00 N ATOM 0 H GLN A 76 -0.248 0.888 10.357 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.242 -1.885 10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.046 0.699 12.566 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.294 -0.887 13.269 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.249 -1.294 12.016 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.814 -0.147 10.764 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.849 0.902 10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.199 2.004 12.268 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.183 -2.329 12.499 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.430 -2.729 13.120 1.00 0.00 C ATOM 1209 C GLY A 77 -4.505 -3.020 12.075 1.00 0.00 C ATOM 1210 O GLY A 77 -4.380 -2.714 10.889 1.00 0.00 O ATOM 0 H GLY A 77 -1.480 -3.068 12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.265 -3.616 13.732 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.775 -1.940 13.789 1.00 0.00 H new ATOM 1214 N SER A 78 -5.584 -3.633 12.532 1.00 0.00 N ATOM 1215 CA SER A 78 -6.416 -4.513 11.732 1.00 0.00 C ATOM 1216 C SER A 78 -7.523 -3.784 10.955 1.00 0.00 C ATOM 1217 O SER A 78 -8.673 -4.236 10.933 1.00 0.00 O ATOM 1218 CB SER A 78 -6.968 -5.579 12.678 1.00 0.00 C ATOM 1219 OG SER A 78 -6.013 -5.957 13.655 1.00 0.00 O ATOM 0 H SER A 78 -5.913 -3.529 13.492 1.00 0.00 H new ATOM 0 HA SER A 78 -5.814 -4.967 10.945 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.863 -5.200 13.171 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.268 -6.456 12.104 1.00 0.00 H new ATOM 0 HG SER A 78 -6.400 -6.638 14.244 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.199 -2.655 10.320 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.151 -1.906 9.495 1.00 0.00 C ATOM 1227 C LYS A 79 -8.640 -2.744 8.310 1.00 0.00 C ATOM 1228 O LYS A 79 -8.052 -3.769 7.963 1.00 0.00 O ATOM 1229 CB LYS A 79 -7.610 -0.536 9.022 1.00 0.00 C ATOM 1230 CG LYS A 79 -6.091 -0.329 8.919 1.00 0.00 C ATOM 1231 CD LYS A 79 -5.380 0.055 10.232 1.00 0.00 C ATOM 1232 CE LYS A 79 -5.368 1.546 10.601 1.00 0.00 C ATOM 1233 NZ LYS A 79 -6.711 2.072 10.898 1.00 0.00 N ATOM 0 H LYS A 79 -6.271 -2.234 10.363 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.002 -1.690 10.141 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.037 -0.336 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.000 0.223 9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -5.642 -1.247 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.898 0.450 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.852 -0.493 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.347 -0.289 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.724 1.696 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.933 2.115 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.626 2.982 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.234 2.210 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.223 1.396 11.500 1.00 0.00 H new ATOM 1247 N THR A 80 -9.692 -2.265 7.663 1.00 0.00 N ATOM 1248 CA THR A 80 -10.301 -2.853 6.475 1.00 0.00 C ATOM 1249 C THR A 80 -10.371 -1.841 5.324 1.00 0.00 C ATOM 1250 O THR A 80 -10.811 -2.159 4.220 1.00 0.00 O ATOM 1251 CB THR A 80 -11.681 -3.376 6.870 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.378 -2.361 7.570 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.568 -4.604 7.777 1.00 0.00 C ATOM 0 H THR A 80 -10.168 -1.415 7.965 1.00 0.00 H new ATOM 0 HA THR A 80 -9.692 -3.678 6.105 1.00 0.00 H new ATOM 0 HB THR A 80 -12.213 -3.658 5.961 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.265 -2.690 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.566 -4.954 8.042 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.033 -5.396 7.252 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.024 -4.338 8.684 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.926 -0.609 5.567 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.843 0.455 4.590 1.00 0.00 C ATOM 1263 C HIS A 81 -8.656 1.333 4.972 1.00 0.00 C ATOM 1264 O HIS A 81 -8.193 1.299 6.119 1.00 0.00 O ATOM 1265 CB HIS A 81 -11.167 1.241 4.559 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.497 1.930 5.859 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.384 3.277 6.119 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -11.916 1.319 7.007 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -11.693 3.468 7.412 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -12.000 2.299 8.002 1.00 0.00 N ATOM 0 H HIS A 81 -9.602 -0.322 6.491 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.689 0.065 3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.117 1.987 3.766 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.978 0.559 4.304 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.114 3.999 5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.142 0.269 7.125 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.695 4.427 7.909 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.148 2.123 4.032 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.981 2.963 4.245 1.00 0.00 C ATOM 1280 C GLY A 82 -6.905 3.981 3.126 1.00 0.00 C ATOM 1281 O GLY A 82 -7.115 3.636 1.960 1.00 0.00 O ATOM 0 H GLY A 82 -8.540 2.197 3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.048 3.466 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.076 2.355 4.265 1.00 0.00 H new ATOM 1285 N MET A 83 -6.659 5.241 3.471 1.00 0.00 N ATOM 1286 CA MET A 83 -6.706 6.317 2.494 1.00 0.00 C ATOM 1287 C MET A 83 -5.409 6.401 1.699 1.00 0.00 C ATOM 1288 O MET A 83 -4.344 6.085 2.217 1.00 0.00 O ATOM 1289 CB MET A 83 -7.011 7.645 3.181 1.00 0.00 C ATOM 1290 CG MET A 83 -8.325 7.597 3.967 1.00 0.00 C ATOM 1291 SD MET A 83 -9.088 9.223 4.154 1.00 0.00 S ATOM 1292 CE MET A 83 -10.284 9.130 2.805 1.00 0.00 C ATOM 0 H MET A 83 -6.426 5.539 4.418 1.00 0.00 H new ATOM 0 HA MET A 83 -7.509 6.099 1.789 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.194 7.900 3.856 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.065 8.436 2.433 1.00 0.00 H new ATOM 0 HG2 MET A 83 -9.022 6.930 3.460 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.138 7.173 4.953 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.731 10.111 2.647 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.780 8.810 1.893 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.064 8.412 3.059 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.472 6.918 0.474 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.327 7.314 -0.334 1.00 0.00 C ATOM 1304 C LEU A 84 -4.304 8.847 -0.344 1.00 0.00 C ATOM 1305 O LEU A 84 -4.994 9.428 -1.180 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.438 6.716 -1.763 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.540 5.506 -2.079 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.045 5.739 -1.873 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.981 4.287 -1.288 1.00 0.00 C ATOM 0 H LEU A 84 -6.361 7.078 -0.000 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.392 6.934 0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.475 6.423 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.211 7.505 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.671 5.337 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.497 4.830 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.711 6.552 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.858 6.002 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.333 3.444 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.917 4.503 -0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.010 4.038 -1.547 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.602 9.514 0.592 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.390 10.959 0.577 1.00 0.00 C ATOM 1323 C PRO A 85 -2.067 11.338 -0.109 1.00 0.00 C ATOM 1324 O PRO A 85 -1.100 10.566 -0.104 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.312 11.324 2.060 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.573 10.127 2.660 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.093 8.952 1.836 1.00 0.00 C ATOM 0 HA PRO A 85 -4.177 11.477 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.770 12.256 2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.302 11.451 2.499 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.492 10.235 2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.795 10.006 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.298 8.233 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.879 8.420 2.372 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.989 12.560 -0.641 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.777 13.057 -1.279 1.00 0.00 C ATOM 1337 C GLY A 86 -0.566 12.384 -2.636 1.00 0.00 C ATOM 1338 O GLY A 86 0.547 11.935 -2.934 1.00 0.00 O ATOM 0 H GLY A 86 -2.762 13.226 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.845 14.137 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.082 12.868 -0.636 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.642 12.272 -3.415 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.751 11.755 -4.776 1.00 0.00 C ATOM 1344 C LEU A 87 -1.923 12.961 -5.711 1.00 0.00 C ATOM 1345 O LEU A 87 -1.723 14.098 -5.289 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.972 10.803 -4.829 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.756 9.394 -4.241 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.853 8.543 -5.119 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.168 9.415 -2.834 1.00 0.00 C ATOM 0 H LEU A 87 -2.553 12.573 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.869 11.194 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.799 11.274 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.281 10.698 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.754 8.957 -4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.728 7.559 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.303 8.434 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.880 9.024 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.041 8.393 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.200 9.916 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.842 9.951 -2.166 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.315 12.757 -6.964 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.677 13.812 -7.890 1.00 0.00 C ATOM 1363 C GLU A 88 -4.099 13.633 -8.405 1.00 0.00 C ATOM 1364 O GLU A 88 -4.519 12.493 -8.618 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.716 13.795 -9.076 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.465 14.580 -8.712 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.794 16.069 -8.654 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -1.214 16.631 -9.692 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.758 16.647 -7.543 1.00 0.00 O ATOM 0 H GLU A 88 -2.390 11.824 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.616 14.763 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.455 12.769 -9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.193 14.232 -9.953 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.080 14.244 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.318 14.399 -9.449 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.812 14.738 -8.672 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.019 14.757 -9.479 1.00 0.00 C ATOM 1378 C PRO A 89 -5.726 14.460 -10.959 1.00 0.00 C ATOM 1379 O PRO A 89 -4.566 14.496 -11.390 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.629 16.142 -9.300 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.651 16.949 -8.449 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.411 16.080 -8.311 1.00 0.00 C ATOM 0 HA PRO A 89 -6.709 13.977 -9.158 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.788 16.622 -10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.602 16.076 -8.813 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.411 17.900 -8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.079 17.179 -7.473 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.613 16.436 -8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.027 16.110 -7.291 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.794 14.203 -11.727 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.819 13.905 -13.164 1.00 0.00 C ATOM 1392 C PHE A 90 -5.652 12.981 -13.571 1.00 0.00 C ATOM 1393 O PHE A 90 -5.012 13.146 -14.610 1.00 0.00 O ATOM 1394 CB PHE A 90 -7.032 15.211 -13.972 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.787 15.088 -15.303 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -7.517 14.079 -16.253 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -8.787 16.026 -15.612 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.234 14.001 -17.460 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -9.508 15.956 -16.814 1.00 0.00 C ATOM 1400 CZ PHE A 90 -9.235 14.943 -17.743 1.00 0.00 C ATOM 0 H PHE A 90 -7.733 14.198 -11.329 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.684 13.297 -13.428 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.571 15.917 -13.340 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.054 15.647 -14.176 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.744 13.353 -16.049 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -9.005 16.817 -14.910 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.014 13.216 -18.169 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.276 16.686 -17.024 1.00 0.00 H new ATOM 0 HZ PHE A 90 -9.790 14.888 -18.668 1.00 0.00 H new ATOM 1410 N SER A 91 -5.370 11.964 -12.755 1.00 0.00 N ATOM 1411 CA SER A 91 -4.286 11.008 -12.953 1.00 0.00 C ATOM 1412 C SER A 91 -4.835 9.601 -12.725 1.00 0.00 C ATOM 1413 O SER A 91 -5.773 9.437 -11.941 1.00 0.00 O ATOM 1414 CB SER A 91 -3.168 11.317 -11.951 1.00 0.00 C ATOM 1415 OG SER A 91 -2.663 12.631 -12.122 1.00 0.00 O ATOM 0 H SER A 91 -5.910 11.779 -11.910 1.00 0.00 H new ATOM 0 HA SER A 91 -3.884 11.077 -13.964 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.546 11.201 -10.935 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.359 10.597 -12.074 1.00 0.00 H new ATOM 0 HG SER A 91 -3.303 13.277 -11.757 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.232 8.586 -13.354 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.516 7.201 -13.007 1.00 0.00 C ATOM 1423 C HIS A 92 -3.479 6.750 -11.994 1.00 0.00 C ATOM 1424 O HIS A 92 -2.309 7.130 -12.075 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.506 6.278 -14.241 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.449 5.092 -14.156 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.311 3.864 -14.767 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.675 5.091 -13.551 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.428 3.156 -14.527 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -7.302 3.864 -13.791 1.00 0.00 N ATOM 0 H HIS A 92 -3.548 8.703 -14.102 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.519 7.138 -12.585 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.765 6.868 -15.120 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.492 5.908 -14.392 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.092 5.907 -12.979 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.601 2.150 -14.879 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.226 3.569 -13.475 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.891 5.882 -11.082 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.009 5.265 -10.118 1.00 0.00 C ATOM 1440 C TYR A 93 -3.322 3.782 -10.044 1.00 0.00 C ATOM 1441 O TYR A 93 -4.440 3.342 -10.327 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.192 5.939 -8.759 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.429 7.239 -8.610 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.089 7.212 -8.177 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -3.050 8.472 -8.884 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -0.366 8.405 -8.010 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -2.339 9.671 -8.699 1.00 0.00 C ATOM 1448 CZ TYR A 93 -0.999 9.643 -8.252 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.333 10.808 -8.038 1.00 0.00 O ATOM 0 H TYR A 93 -4.863 5.586 -10.994 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.968 5.386 -10.419 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.253 6.132 -8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.873 5.250 -7.977 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.613 6.265 -7.971 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.071 8.497 -9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.668 8.375 -7.698 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.819 10.617 -8.899 1.00 0.00 H new ATOM 0 HH TYR A 93 0.626 10.625 -7.952 1.00 0.00 H new ATOM 1459 N THR A 94 -2.318 3.006 -9.655 1.00 0.00 N ATOM 1460 CA THR A 94 -2.435 1.583 -9.391 1.00 0.00 C ATOM 1461 C THR A 94 -1.879 1.339 -7.984 1.00 0.00 C ATOM 1462 O THR A 94 -0.960 2.042 -7.563 1.00 0.00 O ATOM 1463 CB THR A 94 -1.726 0.839 -10.536 1.00 0.00 C ATOM 1464 OG1 THR A 94 -2.232 1.321 -11.780 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.911 -0.681 -10.491 1.00 0.00 C ATOM 0 H THR A 94 -1.373 3.363 -9.511 1.00 0.00 H new ATOM 0 HA THR A 94 -3.456 1.202 -9.382 1.00 0.00 H new ATOM 0 HB THR A 94 -0.659 1.034 -10.424 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.635 2.016 -12.129 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.383 -1.137 -11.329 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.509 -1.069 -9.555 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.972 -0.920 -10.557 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.469 0.415 -7.222 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.104 0.060 -5.848 1.00 0.00 C ATOM 1475 C LEU A 95 -2.434 -1.413 -5.590 1.00 0.00 C ATOM 1476 O LEU A 95 -3.208 -2.006 -6.344 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.768 0.991 -4.819 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.313 1.065 -4.689 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.102 0.948 -5.990 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.810 -0.004 -3.713 1.00 0.00 C ATOM 0 H LEU A 95 -3.256 -0.135 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.029 0.197 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.378 0.714 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.416 2.001 -5.028 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.501 2.074 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.169 1.013 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.817 1.757 -6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.885 -0.010 -6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.895 0.056 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.529 -0.991 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.360 0.160 -2.734 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.872 -2.011 -4.535 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.218 -3.367 -4.070 1.00 0.00 C ATOM 1494 C ASN A 96 -1.955 -3.494 -2.571 1.00 0.00 C ATOM 1495 O ASN A 96 -1.067 -2.829 -2.047 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.455 -4.492 -4.807 1.00 0.00 C ATOM 1497 CG ASN A 96 0.035 -4.251 -4.971 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.841 -4.723 -4.177 1.00 0.00 O ATOM 1499 ND2 ASN A 96 0.437 -3.537 -6.010 1.00 0.00 N ATOM 0 H ASN A 96 -1.152 -1.563 -3.968 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.277 -3.495 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.600 -5.426 -4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.898 -4.625 -5.794 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.432 -3.371 -6.161 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.248 -3.152 -6.660 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.699 -4.365 -1.884 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.678 -4.548 -0.430 1.00 0.00 C ATOM 1508 C VAL A 97 -1.856 -5.795 -0.099 1.00 0.00 C ATOM 1509 O VAL A 97 -1.958 -6.794 -0.806 1.00 0.00 O ATOM 1510 CB VAL A 97 -4.123 -4.683 0.118 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.161 -4.496 1.643 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -5.124 -3.686 -0.495 1.00 0.00 C ATOM 0 H VAL A 97 -3.361 -4.989 -2.346 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.221 -3.679 0.043 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.425 -5.691 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.187 -4.596 1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.538 -5.254 2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.785 -3.505 1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.110 -3.846 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.796 -2.667 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.175 -3.838 -1.573 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.077 -5.773 0.985 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.233 -6.878 1.436 1.00 0.00 C ATOM 1524 C ARG A 98 -0.370 -6.999 2.946 1.00 0.00 C ATOM 1525 O ARG A 98 -0.412 -5.977 3.636 1.00 0.00 O ATOM 1526 CB ARG A 98 1.211 -6.566 1.015 1.00 0.00 C ATOM 1527 CG ARG A 98 2.179 -7.744 1.135 1.00 0.00 C ATOM 1528 CD ARG A 98 3.559 -7.324 0.613 1.00 0.00 C ATOM 1529 NE ARG A 98 4.365 -8.500 0.258 1.00 0.00 N ATOM 1530 CZ ARG A 98 5.096 -8.691 -0.840 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.128 -7.783 -1.806 1.00 0.00 N ATOM 1532 NH2 ARG A 98 5.792 -9.807 -0.959 1.00 0.00 N ATOM 0 H ARG A 98 -1.016 -4.956 1.593 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.528 -7.829 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.207 -6.220 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.584 -5.743 1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.253 -8.064 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.806 -8.595 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.442 -6.681 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.077 -6.739 1.373 1.00 0.00 H new ATOM 0 HE ARG A 98 4.365 -9.263 0.934 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.588 -6.923 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.693 -7.945 -2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 98 5.765 -10.507 -0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 98 6.357 -9.969 -1.793 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.460 -8.220 3.467 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.492 -8.441 4.910 1.00 0.00 C ATOM 1548 C VAL A 99 0.945 -8.492 5.426 1.00 0.00 C ATOM 1549 O VAL A 99 1.860 -8.899 4.705 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.311 -9.711 5.258 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.651 -9.795 4.496 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.529 -11.011 5.023 1.00 0.00 C ATOM 0 H VAL A 99 -0.512 -9.073 2.910 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.002 -7.618 5.410 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.518 -9.610 6.323 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.176 -10.706 4.783 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.265 -8.929 4.743 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.459 -9.810 3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.155 -11.864 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.243 -11.079 3.973 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.367 -11.014 5.644 1.00 0.00 H new ATOM 1562 N VAL A 100 1.130 -8.123 6.689 1.00 0.00 N ATOM 1563 CA VAL A 100 2.400 -8.123 7.393 1.00 0.00 C ATOM 1564 C VAL A 100 2.107 -8.688 8.778 1.00 0.00 C ATOM 1565 O VAL A 100 1.120 -8.297 9.412 1.00 0.00 O ATOM 1566 CB VAL A 100 2.962 -6.685 7.449 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.310 -6.629 8.190 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.150 -6.068 6.051 1.00 0.00 C ATOM 0 H VAL A 100 0.359 -7.801 7.274 1.00 0.00 H new ATOM 0 HA VAL A 100 3.159 -8.728 6.896 1.00 0.00 H new ATOM 0 HB VAL A 100 2.217 -6.105 7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.673 -5.601 8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.179 -6.986 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.034 -7.260 7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.547 -5.058 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.847 -6.677 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.189 -6.032 5.537 1.00 0.00 H new ATOM 1578 N ASN A 101 2.948 -9.599 9.260 1.00 0.00 N ATOM 1579 CA ASN A 101 2.874 -10.160 10.603 1.00 0.00 C ATOM 1580 C ASN A 101 4.233 -10.041 11.286 1.00 0.00 C ATOM 1581 O ASN A 101 5.142 -9.402 10.756 1.00 0.00 O ATOM 1582 CB ASN A 101 2.332 -11.610 10.555 1.00 0.00 C ATOM 1583 CG ASN A 101 3.379 -12.683 10.233 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.519 -12.410 9.888 1.00 0.00 O ATOM 1585 ND2 ASN A 101 3.047 -13.945 10.390 1.00 0.00 N ATOM 0 H ASN A 101 3.720 -9.977 8.711 1.00 0.00 H new ATOM 0 HA ASN A 101 2.166 -9.593 11.207 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.878 -11.844 11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.540 -11.661 9.808 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.737 -14.678 10.224 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.100 -14.191 10.678 1.00 0.00 H new ATOM 1592 N GLY A 102 4.368 -10.602 12.490 1.00 0.00 N ATOM 1593 CA GLY A 102 5.570 -10.455 13.300 1.00 0.00 C ATOM 1594 C GLY A 102 6.810 -11.127 12.714 1.00 0.00 C ATOM 1595 O GLY A 102 7.895 -10.949 13.272 1.00 0.00 O ATOM 0 H GLY A 102 3.643 -11.171 12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.776 -9.393 13.434 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.380 -10.870 14.290 1.00 0.00 H new ATOM 1599 N LYS A 103 6.667 -11.893 11.632 1.00 0.00 N ATOM 1600 CA LYS A 103 7.724 -12.632 10.965 1.00 0.00 C ATOM 1601 C LYS A 103 8.091 -11.965 9.641 1.00 0.00 C ATOM 1602 O LYS A 103 9.280 -11.888 9.336 1.00 0.00 O ATOM 1603 CB LYS A 103 7.267 -14.090 10.801 1.00 0.00 C ATOM 1604 CG LYS A 103 8.413 -15.045 10.453 1.00 0.00 C ATOM 1605 CD LYS A 103 9.538 -15.018 11.496 1.00 0.00 C ATOM 1606 CE LYS A 103 10.799 -14.379 10.919 1.00 0.00 C ATOM 1607 NZ LYS A 103 11.800 -14.145 11.979 1.00 0.00 N ATOM 0 H LYS A 103 5.762 -12.017 11.179 1.00 0.00 H new ATOM 0 HA LYS A 103 8.636 -12.628 11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.794 -14.422 11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.510 -14.141 10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.023 -16.060 10.370 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.820 -14.779 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.212 -14.461 12.374 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.758 -16.033 11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.221 -15.026 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.546 -13.435 10.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.649 -13.710 11.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.401 -13.509 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.056 -15.051 12.421 1.00 0.00 H new ATOM 1621 N GLY A 104 7.127 -11.446 8.880 1.00 0.00 N ATOM 1622 CA GLY A 104 7.374 -10.779 7.612 1.00 0.00 C ATOM 1623 C GLY A 104 6.063 -10.476 6.901 1.00 0.00 C ATOM 1624 O GLY A 104 4.977 -10.642 7.467 1.00 0.00 O ATOM 0 H GLY A 104 6.140 -11.480 9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.923 -9.853 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.000 -11.409 6.980 1.00 0.00 H new ATOM 1628 N GLU A 105 6.155 -9.990 5.664 1.00 0.00 N ATOM 1629 CA GLU A 105 5.008 -9.973 4.767 1.00 0.00 C ATOM 1630 C GLU A 105 4.704 -11.380 4.246 1.00 0.00 C ATOM 1631 O GLU A 105 5.513 -12.300 4.386 1.00 0.00 O ATOM 1632 CB GLU A 105 5.165 -8.938 3.638 1.00 0.00 C ATOM 1633 CG GLU A 105 6.515 -8.820 2.913 1.00 0.00 C ATOM 1634 CD GLU A 105 7.079 -10.126 2.356 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.392 -10.790 1.549 1.00 0.00 O ATOM 1636 OE2 GLU A 105 8.217 -10.485 2.739 1.00 0.00 O ATOM 0 H GLU A 105 7.011 -9.605 5.264 1.00 0.00 H new ATOM 0 HA GLU A 105 4.140 -9.648 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.406 -9.155 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.930 -7.959 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.406 -8.112 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.243 -8.396 3.604 1.00 0.00 H new ATOM 1643 N GLY A 106 3.526 -11.531 3.644 1.00 0.00 N ATOM 1644 CA GLY A 106 3.160 -12.613 2.740 1.00 0.00 C ATOM 1645 C GLY A 106 2.759 -11.997 1.397 1.00 0.00 C ATOM 1646 O GLY A 106 3.155 -10.862 1.123 1.00 0.00 O ATOM 0 H GLY A 106 2.764 -10.867 3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.997 -13.299 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.335 -13.192 3.154 1.00 0.00 H new ATOM 1650 N PRO A 107 1.984 -12.691 0.547 1.00 0.00 N ATOM 1651 CA PRO A 107 1.626 -12.175 -0.772 1.00 0.00 C ATOM 1652 C PRO A 107 0.804 -10.893 -0.696 1.00 0.00 C ATOM 1653 O PRO A 107 0.122 -10.600 0.293 1.00 0.00 O ATOM 1654 CB PRO A 107 0.851 -13.305 -1.458 1.00 0.00 C ATOM 1655 CG PRO A 107 0.271 -14.104 -0.290 1.00 0.00 C ATOM 1656 CD PRO A 107 1.336 -13.971 0.798 1.00 0.00 C ATOM 0 HA PRO A 107 2.517 -11.897 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.066 -12.916 -2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.503 -13.919 -2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.688 -13.700 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.102 -15.146 -0.561 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.889 -13.997 1.792 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.053 -14.791 0.749 1.00 0.00 H new ATOM 1664 N ALA A 108 0.850 -10.158 -1.804 1.00 0.00 N ATOM 1665 CA ALA A 108 0.006 -9.022 -2.084 1.00 0.00 C ATOM 1666 C ALA A 108 -1.209 -9.500 -2.873 1.00 0.00 C ATOM 1667 O ALA A 108 -1.104 -10.411 -3.694 1.00 0.00 O ATOM 1668 CB ALA A 108 0.822 -8.025 -2.894 1.00 0.00 C ATOM 0 H ALA A 108 1.508 -10.354 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 108 -0.342 -8.545 -1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.209 -7.153 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.694 -7.715 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.148 -8.492 -3.823 1.00 0.00 H new ATOM 1674 N SER A 109 -2.363 -8.904 -2.602 1.00 0.00 N ATOM 1675 CA SER A 109 -3.630 -9.150 -3.269 1.00 0.00 C ATOM 1676 C SER A 109 -3.623 -8.588 -4.699 1.00 0.00 C ATOM 1677 O SER A 109 -2.645 -7.940 -5.090 1.00 0.00 O ATOM 1678 CB SER A 109 -4.728 -8.534 -2.387 1.00 0.00 C ATOM 1679 OG SER A 109 -5.390 -9.582 -1.713 1.00 0.00 O ATOM 0 H SER A 109 -2.442 -8.198 -1.870 1.00 0.00 H new ATOM 0 HA SER A 109 -3.815 -10.218 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.294 -7.836 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.433 -7.969 -2.996 1.00 0.00 H new ATOM 0 HG SER A 109 -6.306 -9.306 -1.499 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.683 -8.812 -5.500 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.716 -8.339 -6.877 1.00 0.00 C ATOM 1687 C PRO A 110 -4.644 -6.812 -6.890 1.00 0.00 C ATOM 1688 O PRO A 110 -5.282 -6.145 -6.069 1.00 0.00 O ATOM 1689 CB PRO A 110 -6.015 -8.887 -7.472 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.916 -9.031 -6.250 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.926 -9.523 -5.202 1.00 0.00 C ATOM 0 HA PRO A 110 -3.870 -8.682 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.440 -8.206 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.858 -9.842 -7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.378 -8.085 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.724 -9.743 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.276 -9.303 -4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.789 -10.603 -5.263 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.850 -6.254 -7.802 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.789 -4.812 -8.005 1.00 0.00 C ATOM 1701 C ASP A 111 -5.145 -4.271 -8.443 1.00 0.00 C ATOM 1702 O ASP A 111 -5.991 -4.981 -8.995 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.673 -4.400 -8.979 1.00 0.00 C ATOM 1704 CG ASP A 111 -2.718 -5.148 -10.310 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -2.196 -6.289 -10.350 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -3.213 -4.610 -11.322 1.00 0.00 O ATOM 0 H ASP A 111 -3.235 -6.787 -8.417 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.536 -4.362 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.746 -3.329 -9.170 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.706 -4.574 -8.506 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.362 -2.996 -8.140 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.568 -2.248 -8.458 1.00 0.00 C ATOM 1713 C ARG A 112 -6.145 -0.912 -9.015 1.00 0.00 C ATOM 1714 O ARG A 112 -4.969 -0.538 -8.966 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.434 -2.045 -7.202 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.080 -3.343 -6.722 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.351 -3.741 -7.465 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.880 -5.039 -7.025 1.00 0.00 N ATOM 1719 CZ ARG A 112 -9.461 -6.234 -7.452 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -8.296 -6.369 -8.080 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.224 -7.300 -7.268 1.00 0.00 N ATOM 0 H ARG A 112 -4.671 -2.433 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.166 -2.798 -9.185 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.818 -1.632 -6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.213 -1.313 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.353 -4.150 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.312 -3.246 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.110 -2.974 -7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.145 -3.781 -8.535 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.631 -5.027 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -7.707 -5.553 -8.242 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -7.992 -7.289 -8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -11.127 -7.207 -6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -9.909 -8.215 -7.592 1.00 0.00 H new ATOM 1735 N VAL A 113 -7.124 -0.192 -9.534 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.910 1.097 -10.159 1.00 0.00 C ATOM 1737 C VAL A 113 -7.956 2.100 -9.699 1.00 0.00 C ATOM 1738 O VAL A 113 -9.073 1.730 -9.323 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.845 0.960 -11.686 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.810 -0.074 -12.143 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -8.206 0.616 -12.288 1.00 0.00 C ATOM 0 H VAL A 113 -8.099 -0.491 -9.532 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.943 1.486 -9.841 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.533 1.938 -12.052 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.807 -0.129 -13.232 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.821 0.221 -11.792 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.065 -1.050 -11.731 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.113 0.529 -13.371 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.557 -0.330 -11.876 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.920 1.404 -12.047 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.623 3.380 -9.801 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.536 4.488 -9.591 1.00 0.00 C ATOM 1753 C PHE A 114 -8.016 5.674 -10.403 1.00 0.00 C ATOM 1754 O PHE A 114 -6.799 5.840 -10.522 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.655 4.785 -8.089 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.391 5.219 -7.368 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.560 4.245 -6.788 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.099 6.584 -7.178 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.495 4.630 -5.960 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.027 6.969 -6.352 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.245 5.988 -5.719 1.00 0.00 C ATOM 0 H PHE A 114 -6.678 3.682 -10.040 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.545 4.255 -9.933 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.405 5.565 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.035 3.890 -7.596 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.742 3.198 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.699 7.337 -7.667 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.866 3.878 -5.507 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.806 8.016 -6.205 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.452 6.280 -5.047 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.916 6.470 -10.990 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.607 7.734 -11.629 1.00 0.00 C ATOM 1773 C ASN A 115 -9.238 8.828 -10.795 1.00 0.00 C ATOM 1774 O ASN A 115 -10.356 8.671 -10.293 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.099 7.818 -13.079 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.598 8.000 -13.270 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.054 9.051 -13.706 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.384 6.970 -13.017 1.00 0.00 N ATOM 0 H ASN A 115 -9.908 6.236 -11.030 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.524 7.841 -11.682 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -8.588 8.648 -13.567 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.795 6.908 -13.597 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.388 7.041 -13.184 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -10.988 6.103 -12.654 1.00 0.00 H new ATOM 1785 N THR A 116 -8.497 9.903 -10.602 1.00 0.00 N ATOM 1786 CA THR A 116 -8.909 11.011 -9.766 1.00 0.00 C ATOM 1787 C THR A 116 -9.629 12.061 -10.633 1.00 0.00 C ATOM 1788 O THR A 116 -9.329 12.166 -11.823 1.00 0.00 O ATOM 1789 CB THR A 116 -7.665 11.516 -9.023 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.590 11.653 -9.933 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.216 10.525 -7.941 1.00 0.00 C ATOM 0 H THR A 116 -7.579 10.031 -11.028 1.00 0.00 H new ATOM 0 HA THR A 116 -9.636 10.727 -9.006 1.00 0.00 H new ATOM 0 HB THR A 116 -7.927 12.470 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.741 11.576 -9.450 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.333 10.914 -7.435 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.019 10.389 -7.216 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.977 9.567 -8.402 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.571 12.836 -10.064 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.605 13.539 -10.813 1.00 0.00 C ATOM 1801 C PRO A 117 -11.048 14.608 -11.754 1.00 0.00 C ATOM 1802 O PRO A 117 -11.060 14.402 -12.967 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.599 14.069 -9.770 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.836 14.042 -8.452 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.867 12.889 -8.647 1.00 0.00 C ATOM 0 HA PRO A 117 -12.114 12.867 -11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.928 15.079 -10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.492 13.445 -9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.315 14.981 -8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.500 13.873 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.958 13.044 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.306 11.951 -8.307 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.581 15.746 -11.226 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.994 16.803 -12.046 1.00 0.00 C ATOM 1815 C GLU A 118 -8.996 17.675 -11.286 1.00 0.00 C ATOM 1816 O GLU A 118 -7.946 18.027 -11.820 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.092 17.667 -12.685 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.467 18.799 -13.511 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.284 19.195 -14.742 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.378 19.795 -14.610 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -10.786 18.987 -15.871 1.00 0.00 O ATOM 0 H GLU A 118 -10.600 15.955 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.428 16.302 -12.832 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.725 17.050 -13.322 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.733 18.085 -11.909 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.343 19.674 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.471 18.494 -13.831 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.312 18.024 -10.044 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.587 19.054 -9.297 1.00 0.00 C ATOM 1830 C GLY A 119 -9.478 19.736 -8.270 1.00 0.00 C ATOM 1831 O GLY A 119 -10.614 19.302 -8.075 1.00 0.00 O ATOM 0 H GLY A 119 -10.080 17.601 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.731 18.604 -8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.195 19.798 -9.990 1.00 0.00 H new ATOM 1835 N SER A 120 -8.927 20.749 -7.599 1.00 0.00 N ATOM 1836 CA SER A 120 -9.578 21.732 -6.736 1.00 0.00 C ATOM 1837 C SER A 120 -8.479 22.562 -6.067 1.00 0.00 C ATOM 1838 O SER A 120 -7.496 21.995 -5.578 1.00 0.00 O ATOM 1839 CB SER A 120 -10.492 21.090 -5.680 1.00 0.00 C ATOM 1840 OG SER A 120 -9.846 20.035 -4.997 1.00 0.00 O ATOM 0 H SER A 120 -7.922 20.916 -7.652 1.00 0.00 H new ATOM 0 HA SER A 120 -10.228 22.359 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.807 21.848 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.394 20.713 -6.161 1.00 0.00 H new ATOM 0 HG SER A 120 -10.156 19.176 -5.353 1.00 0.00 H new ATOM 1846 N GLY A 121 -8.638 23.884 -6.023 1.00 0.00 N ATOM 1847 CA GLY A 121 -7.640 24.810 -5.505 1.00 0.00 C ATOM 1848 C GLY A 121 -7.463 26.000 -6.452 1.00 0.00 C ATOM 1849 O GLY A 121 -8.089 26.024 -7.518 1.00 0.00 O ATOM 0 H GLY A 121 -9.484 24.348 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -7.943 25.165 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.688 24.294 -5.380 1.00 0.00 H new ATOM 1853 N PRO A 122 -6.626 26.990 -6.090 1.00 0.00 N ATOM 1854 CA PRO A 122 -6.431 28.232 -6.833 1.00 0.00 C ATOM 1855 C PRO A 122 -5.495 28.028 -8.037 1.00 0.00 C ATOM 1856 O PRO A 122 -4.564 28.804 -8.255 1.00 0.00 O ATOM 1857 CB PRO A 122 -5.872 29.208 -5.787 1.00 0.00 C ATOM 1858 CG PRO A 122 -4.996 28.306 -4.923 1.00 0.00 C ATOM 1859 CD PRO A 122 -5.796 27.004 -4.891 1.00 0.00 C ATOM 0 HA PRO A 122 -7.350 28.613 -7.279 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.296 30.010 -6.248 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -6.666 29.678 -5.207 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -4.006 28.164 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -4.850 28.718 -3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.130 26.141 -4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -6.412 26.951 -3.994 1.00 0.00 H new ATOM 1867 N SER A 123 -5.707 26.972 -8.821 1.00 0.00 N ATOM 1868 CA SER A 123 -5.053 26.776 -10.109 1.00 0.00 C ATOM 1869 C SER A 123 -5.444 27.915 -11.060 1.00 0.00 C ATOM 1870 O SER A 123 -6.496 28.543 -10.891 1.00 0.00 O ATOM 1871 CB SER A 123 -5.427 25.389 -10.663 1.00 0.00 C ATOM 1872 OG SER A 123 -6.694 24.935 -10.196 1.00 0.00 O ATOM 0 H SER A 123 -6.348 26.218 -8.573 1.00 0.00 H new ATOM 0 HA SER A 123 -3.969 26.804 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 123 -5.438 25.428 -11.752 1.00 0.00 H new ATOM 0 HB3 SER A 123 -4.660 24.669 -10.378 1.00 0.00 H new ATOM 0 HG SER A 123 -6.886 24.053 -10.577 1.00 0.00 H new ATOM 1878 N SER A 124 -4.620 28.201 -12.070 1.00 0.00 N ATOM 1879 CA SER A 124 -4.910 29.222 -13.079 1.00 0.00 C ATOM 1880 C SER A 124 -4.227 28.883 -14.405 1.00 0.00 C ATOM 1881 O SER A 124 -4.889 28.856 -15.439 1.00 0.00 O ATOM 1882 CB SER A 124 -4.469 30.601 -12.570 1.00 0.00 C ATOM 1883 OG SER A 124 -5.255 31.000 -11.461 1.00 0.00 O ATOM 0 H SER A 124 -3.727 27.728 -12.212 1.00 0.00 H new ATOM 0 HA SER A 124 -5.985 29.245 -13.256 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.418 30.570 -12.284 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.560 31.336 -13.370 1.00 0.00 H new ATOM 0 HG SER A 124 -5.873 30.278 -11.222 1.00 0.00 H new ATOM 1889 N GLY A 125 -2.930 28.585 -14.378 1.00 0.00 N ATOM 1890 CA GLY A 125 -2.130 28.208 -15.527 1.00 0.00 C ATOM 1891 C GLY A 125 -0.854 27.575 -15.025 1.00 0.00 C ATOM 1892 O GLY A 125 -0.704 27.454 -13.787 1.00 0.00 O ATOM 0 H GLY A 125 -2.390 28.602 -13.513 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -2.678 27.509 -16.159 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -1.906 29.082 -16.138 1.00 0.00 H new TER 1896 GLY A 125