USER MOD reduce.3.24.130724 H: found=0, std=0, add=1221, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1043 hydrogens (23 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 93 TYR OH : rot -153:sc= 1.54 USER MOD Set 1.2: A 128 GLN : amide:sc=-0.00632 K(o=1.5,f=0.41) USER MOD Set 2.1: A 88 SER OG : rot 180:sc= 0.0284 USER MOD Set 2.2: A 89 HIS : no HD1:sc= -0.203 X(o=-0.17,f=0.038) USER MOD Set 3.1: A 79 TYR OH : rot -115:sc= 2.33 USER MOD Set 3.2: A 106 HIS : no HE2:sc= 0.605 K(o=5.2,f=-4.1!) USER MOD Set 3.3: A 107 CYS SG : rot 65:sc= 2.29 USER MOD Set 4.1: A 24 CYS SG : rot -115:sc= 0.28 USER MOD Set 4.2: A 116 SER OG : rot 100:sc= 0.92 USER MOD Set 5.1: A 16 TYR OH : rot -140:sc= 0.836 USER MOD Set 5.2: A 133 SER OG : rot 157:sc= 0.568 USER MOD Single : A 3 SER OG : rot -29:sc= 0.103 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.0311 X(o=0.031,f=-0.0017) USER MOD Single : A 12 SER OG : rot 180:sc= 0.0498 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -160:sc= 0.475 USER MOD Single : A 32 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-0.87) USER MOD Single : A 33 CYS SG : rot -130:sc= 0.435 USER MOD Single : A 35 SER OG : rot 29:sc= 1.07 USER MOD Single : A 38 CYS SG : rot 39:sc= 0.331 USER MOD Single : A 40 MET CE :methyl 163:sc= -1.34 (180deg=-2.18!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 167:sc= -0.0318 (180deg=-0.215) USER MOD Single : A 51 LYS NZ :NH3+ 171:sc= -0.0136 (180deg=-0.154) USER MOD Single : A 56 GLN : amide:sc= -0.0849 K(o=-0.085,f=-0.67) USER MOD Single : A 60 ASN :FLIP amide:sc= -3.29! C(o=-4.8!,f=-3.3!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 63 LYS NZ :NH3+ -138:sc= 0.545 (180deg=0.0139) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 35:sc= 0.00817 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -87:sc= 1.16 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : A 95 ASN : amide:sc= -2.13! X(o=-2.1!,f=-2.5) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 82:sc= 1.31 USER MOD Single : A 103 MET CE :methyl -136:sc= -1.21 (180deg=-2.02) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= 2.31 (180deg=1.27) USER MOD Single : A 105 SER OG : rot 82:sc= 0.698 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl -176:sc= -0.892 (180deg=-0.989) USER MOD Single : A 122 CYS SG : rot -79:sc= 0.781 USER MOD Single : A 131 ASN :FLIP amide:sc= -1.38 F(o=-5.2!,f=-1.4) USER MOD Single : A 135 MET CE :methyl -142:sc= -1.49 (180deg=-1.72) USER MOD Single : A 143 THR OG1 : rot -26:sc= 1.02 USER MOD Single : A 146 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.27) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 37:sc= 1.19 USER MOD Single : A 151 THR OG1 : rot 167:sc= 0.627 USER MOD Single : A 186 APR O1D : rot 180:sc= -0.671 USER MOD Single : A 186 APR O2' : rot -116:sc= 0.448 USER MOD Single : A 186 APR O2D : rot -114:sc= 0.289 USER MOD Single : A 186 APR O3' : rot 150:sc= 0.394 USER MOD Single : A 186 APR O3D : rot 180:sc= 0.261 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 -20.129 25.774 -8.850 1.00 41.24 N ATOM 2 CA SER A 3 -19.933 24.364 -9.015 1.00 33.30 C ATOM 3 C SER A 3 -19.944 23.643 -7.671 1.00 10.24 C ATOM 4 O SER A 3 -19.447 24.166 -6.666 1.00 54.45 O ATOM 5 CB SER A 3 -18.610 24.119 -9.771 1.00 14.34 C ATOM 6 OG SER A 3 -17.500 24.756 -9.113 1.00 4.11 O ATOM 0 HA SER A 3 -20.757 23.957 -9.600 1.00 33.30 H new ATOM 0 HB2 SER A 3 -18.425 23.047 -9.844 1.00 14.34 H new ATOM 0 HB3 SER A 3 -18.696 24.498 -10.789 1.00 14.34 H new ATOM 0 HG SER A 3 -17.815 25.553 -8.637 1.00 4.11 H new ATOM 12 N SER A 4 -20.551 22.485 -7.641 1.00 21.35 N ATOM 13 CA SER A 4 -20.527 21.653 -6.481 1.00 23.12 C ATOM 14 C SER A 4 -20.176 20.243 -6.934 1.00 65.53 C ATOM 15 O SER A 4 -21.040 19.481 -7.376 1.00 30.20 O ATOM 16 CB SER A 4 -21.880 21.696 -5.736 1.00 3.34 C ATOM 17 OG SER A 4 -21.830 20.968 -4.508 1.00 25.51 O ATOM 0 H SER A 4 -21.075 22.097 -8.425 1.00 21.35 H new ATOM 0 HA SER A 4 -19.780 22.010 -5.772 1.00 23.12 H new ATOM 0 HB2 SER A 4 -22.152 22.732 -5.534 1.00 3.34 H new ATOM 0 HB3 SER A 4 -22.660 21.281 -6.374 1.00 3.34 H new ATOM 0 HG SER A 4 -22.702 21.018 -4.063 1.00 25.51 H new ATOM 23 N LEU A 5 -18.907 19.926 -6.890 1.00 43.32 N ATOM 24 CA LEU A 5 -18.432 18.658 -7.377 1.00 32.04 C ATOM 25 C LEU A 5 -17.663 17.956 -6.280 1.00 41.22 C ATOM 26 O LEU A 5 -16.627 18.460 -5.819 1.00 31.24 O ATOM 27 CB LEU A 5 -17.531 18.879 -8.599 1.00 54.00 C ATOM 28 CG LEU A 5 -17.054 17.622 -9.322 1.00 24.43 C ATOM 29 CD1 LEU A 5 -18.233 16.878 -9.916 1.00 32.53 C ATOM 30 CD2 LEU A 5 -16.048 17.974 -10.397 1.00 45.41 C ATOM 0 H LEU A 5 -18.179 20.536 -6.518 1.00 43.32 H new ATOM 0 HA LEU A 5 -19.278 18.038 -7.672 1.00 32.04 H new ATOM 0 HB2 LEU A 5 -18.070 19.501 -9.314 1.00 54.00 H new ATOM 0 HB3 LEU A 5 -16.655 19.444 -8.281 1.00 54.00 H new ATOM 0 HG LEU A 5 -16.563 16.971 -8.598 1.00 24.43 H new ATOM 0 HD11 LEU A 5 -17.878 15.984 -10.429 1.00 32.53 H new ATOM 0 HD12 LEU A 5 -18.921 16.591 -9.120 1.00 32.53 H new ATOM 0 HD13 LEU A 5 -18.749 17.523 -10.627 1.00 32.53 H new ATOM 0 HD21 LEU A 5 -15.720 17.064 -10.901 1.00 45.41 H new ATOM 0 HD22 LEU A 5 -16.510 18.644 -11.122 1.00 45.41 H new ATOM 0 HD23 LEU A 5 -15.188 18.467 -9.943 1.00 45.41 H new ATOM 38 N ASN A 6 -18.148 16.812 -5.863 1.00 22.13 N ATOM 39 CA ASN A 6 -17.531 16.091 -4.772 1.00 34.11 C ATOM 40 C ASN A 6 -17.466 14.601 -5.045 1.00 24.42 C ATOM 41 O ASN A 6 -18.479 13.963 -5.361 1.00 74.22 O ATOM 42 CB ASN A 6 -18.253 16.380 -3.432 1.00 2.21 C ATOM 43 CG ASN A 6 -19.727 15.991 -3.424 1.00 4.20 C ATOM 44 OD1 ASN A 6 -20.586 16.780 -3.802 1.00 15.41 O ATOM 45 ND2 ASN A 6 -20.033 14.796 -2.967 1.00 63.23 N ATOM 0 H ASN A 6 -18.970 16.358 -6.262 1.00 22.13 H new ATOM 0 HA ASN A 6 -16.505 16.450 -4.688 1.00 34.11 H new ATOM 0 HB2 ASN A 6 -17.742 15.843 -2.633 1.00 2.21 H new ATOM 0 HB3 ASN A 6 -18.167 17.443 -3.207 1.00 2.21 H new ATOM 0 HD21 ASN A 6 -21.009 14.503 -2.920 1.00 63.23 H new ATOM 0 HD22 ASN A 6 -19.295 14.163 -2.660 1.00 63.23 H new ATOM 51 N GLU A 7 -16.281 14.052 -4.957 1.00 20.31 N ATOM 52 CA GLU A 7 -16.089 12.629 -5.112 1.00 34.11 C ATOM 53 C GLU A 7 -15.828 12.011 -3.753 1.00 41.01 C ATOM 54 O GLU A 7 -14.709 12.047 -3.250 1.00 13.44 O ATOM 55 CB GLU A 7 -14.933 12.263 -6.082 1.00 32.34 C ATOM 56 CG GLU A 7 -15.132 12.607 -7.570 1.00 53.32 C ATOM 57 CD GLU A 7 -15.218 14.079 -7.866 1.00 61.23 C ATOM 58 OE1 GLU A 7 -14.173 14.767 -7.813 1.00 52.24 O ATOM 59 OE2 GLU A 7 -16.316 14.569 -8.170 1.00 54.32 O ATOM 0 H GLU A 7 -15.424 14.575 -4.777 1.00 20.31 H new ATOM 0 HA GLU A 7 -17.002 12.231 -5.554 1.00 34.11 H new ATOM 0 HB2 GLU A 7 -14.029 12.765 -5.736 1.00 32.34 H new ATOM 0 HB3 GLU A 7 -14.752 11.191 -6.004 1.00 32.34 H new ATOM 0 HG2 GLU A 7 -14.306 12.183 -8.141 1.00 53.32 H new ATOM 0 HG3 GLU A 7 -16.044 12.125 -7.922 1.00 53.32 H new ATOM 66 N ASP A 8 -16.854 11.488 -3.152 1.00 44.11 N ATOM 67 CA ASP A 8 -16.735 10.857 -1.849 1.00 64.24 C ATOM 68 C ASP A 8 -16.926 9.357 -2.027 1.00 74.11 C ATOM 69 O ASP A 8 -17.518 8.946 -3.034 1.00 3.34 O ATOM 70 CB ASP A 8 -17.754 11.455 -0.828 1.00 30.51 C ATOM 71 CG ASP A 8 -19.207 11.228 -1.181 1.00 63.23 C ATOM 72 OD1 ASP A 8 -19.781 12.026 -1.958 1.00 53.04 O ATOM 73 OD2 ASP A 8 -19.814 10.275 -0.666 1.00 31.13 O ATOM 0 H ASP A 8 -17.798 11.481 -3.539 1.00 44.11 H new ATOM 0 HA ASP A 8 -15.745 11.050 -1.435 1.00 64.24 H new ATOM 0 HB2 ASP A 8 -17.561 11.023 0.154 1.00 30.51 H new ATOM 0 HB3 ASP A 8 -17.577 12.527 -0.744 1.00 30.51 H new ATOM 78 N PRO A 9 -16.387 8.514 -1.089 1.00 32.11 N ATOM 79 CA PRO A 9 -16.471 7.044 -1.160 1.00 13.42 C ATOM 80 C PRO A 9 -17.846 6.547 -1.574 1.00 41.54 C ATOM 81 O PRO A 9 -18.869 6.883 -0.957 1.00 2.04 O ATOM 82 CB PRO A 9 -16.136 6.577 0.261 1.00 2.43 C ATOM 83 CG PRO A 9 -15.974 7.829 1.073 1.00 41.12 C ATOM 84 CD PRO A 9 -15.649 8.925 0.103 1.00 30.44 C ATOM 0 HA PRO A 9 -15.793 6.650 -1.917 1.00 13.42 H new ATOM 0 HB2 PRO A 9 -16.931 5.949 0.664 1.00 2.43 H new ATOM 0 HB3 PRO A 9 -15.223 5.982 0.272 1.00 2.43 H new ATOM 0 HG2 PRO A 9 -16.887 8.056 1.623 1.00 41.12 H new ATOM 0 HG3 PRO A 9 -15.179 7.714 1.809 1.00 41.12 H new ATOM 0 HD2 PRO A 9 -15.974 9.900 0.467 1.00 30.44 H new ATOM 0 HD3 PRO A 9 -14.578 8.996 -0.086 1.00 30.44 H new ATOM 92 N GLU A 10 -17.865 5.764 -2.602 1.00 64.30 N ATOM 93 CA GLU A 10 -19.089 5.296 -3.181 1.00 52.22 C ATOM 94 C GLU A 10 -19.567 4.033 -2.481 1.00 23.31 C ATOM 95 O GLU A 10 -20.492 4.069 -1.664 1.00 24.35 O ATOM 96 CB GLU A 10 -18.890 5.077 -4.682 1.00 53.23 C ATOM 97 CG GLU A 10 -20.130 4.670 -5.434 1.00 64.42 C ATOM 98 CD GLU A 10 -19.841 4.433 -6.884 1.00 42.14 C ATOM 99 OE1 GLU A 10 -19.445 3.307 -7.234 1.00 11.22 O ATOM 100 OE2 GLU A 10 -19.985 5.364 -7.692 1.00 14.54 O ATOM 0 H GLU A 10 -17.025 5.426 -3.071 1.00 64.30 H new ATOM 0 HA GLU A 10 -19.867 6.047 -3.045 1.00 52.22 H new ATOM 0 HB2 GLU A 10 -18.503 5.997 -5.120 1.00 53.23 H new ATOM 0 HB3 GLU A 10 -18.128 4.310 -4.825 1.00 53.23 H new ATOM 0 HG2 GLU A 10 -20.544 3.764 -4.992 1.00 64.42 H new ATOM 0 HG3 GLU A 10 -20.888 5.447 -5.336 1.00 64.42 H new ATOM 107 N GLY A 11 -18.913 2.959 -2.759 1.00 71.53 N ATOM 108 CA GLY A 11 -19.255 1.695 -2.170 1.00 73.50 C ATOM 109 C GLY A 11 -18.020 0.904 -1.894 1.00 41.24 C ATOM 110 O GLY A 11 -17.028 1.055 -2.611 1.00 63.03 O ATOM 0 H GLY A 11 -18.122 2.924 -3.402 1.00 71.53 H new ATOM 0 HA2 GLY A 11 -19.808 1.855 -1.244 1.00 73.50 H new ATOM 0 HA3 GLY A 11 -19.910 1.138 -2.840 1.00 73.50 H new ATOM 114 N SER A 12 -18.060 0.082 -0.858 1.00 25.50 N ATOM 115 CA SER A 12 -16.927 -0.736 -0.439 1.00 35.54 C ATOM 116 C SER A 12 -15.765 0.140 0.067 1.00 43.32 C ATOM 117 O SER A 12 -15.789 1.388 -0.025 1.00 3.31 O ATOM 118 CB SER A 12 -16.461 -1.683 -1.589 1.00 71.21 C ATOM 119 OG SER A 12 -15.368 -2.514 -1.198 1.00 70.00 O ATOM 0 H SER A 12 -18.889 -0.039 -0.276 1.00 25.50 H new ATOM 0 HA SER A 12 -17.257 -1.360 0.392 1.00 35.54 H new ATOM 0 HB2 SER A 12 -17.297 -2.309 -1.902 1.00 71.21 H new ATOM 0 HB3 SER A 12 -16.169 -1.086 -2.453 1.00 71.21 H new ATOM 0 HG SER A 12 -15.111 -3.091 -1.948 1.00 70.00 H new ATOM 125 N ARG A 13 -14.783 -0.496 0.638 1.00 31.12 N ATOM 126 CA ARG A 13 -13.589 0.183 1.052 1.00 60.25 C ATOM 127 C ARG A 13 -12.594 0.152 -0.088 1.00 33.10 C ATOM 128 O ARG A 13 -11.713 0.991 -0.171 1.00 42.20 O ATOM 129 CB ARG A 13 -12.984 -0.466 2.307 1.00 73.44 C ATOM 130 CG ARG A 13 -13.884 -0.481 3.559 1.00 60.04 C ATOM 131 CD ARG A 13 -14.274 0.926 4.052 1.00 5.12 C ATOM 132 NE ARG A 13 -15.168 1.637 3.125 1.00 21.23 N ATOM 133 CZ ARG A 13 -15.585 2.898 3.267 1.00 4.20 C ATOM 134 NH1 ARG A 13 -15.184 3.633 4.303 1.00 1.22 N ATOM 135 NH2 ARG A 13 -16.413 3.421 2.369 1.00 44.51 N ATOM 0 H ARG A 13 -14.787 -1.498 0.829 1.00 31.12 H new ATOM 0 HA ARG A 13 -13.835 1.214 1.306 1.00 60.25 H new ATOM 0 HB2 ARG A 13 -12.713 -1.494 2.066 1.00 73.44 H new ATOM 0 HB3 ARG A 13 -12.060 0.058 2.554 1.00 73.44 H new ATOM 0 HG2 ARG A 13 -14.791 -1.044 3.338 1.00 60.04 H new ATOM 0 HG3 ARG A 13 -13.368 -1.009 4.361 1.00 60.04 H new ATOM 0 HD2 ARG A 13 -14.761 0.842 5.024 1.00 5.12 H new ATOM 0 HD3 ARG A 13 -13.370 1.516 4.199 1.00 5.12 H new ATOM 0 HE ARG A 13 -15.497 1.125 2.306 1.00 21.23 H new ATOM 0 HH11 ARG A 13 -14.552 3.234 4.997 1.00 1.22 H new ATOM 0 HH12 ARG A 13 -15.508 4.595 4.402 1.00 1.22 H new ATOM 0 HH21 ARG A 13 -16.727 2.860 1.577 1.00 44.51 H new ATOM 0 HH22 ARG A 13 -16.735 4.383 2.472 1.00 44.51 H new ATOM 147 N ILE A 14 -12.778 -0.810 -0.987 1.00 51.43 N ATOM 148 CA ILE A 14 -11.891 -0.994 -2.113 1.00 32.41 C ATOM 149 C ILE A 14 -12.568 -0.600 -3.414 1.00 74.13 C ATOM 150 O ILE A 14 -13.646 -1.088 -3.743 1.00 75.20 O ATOM 151 CB ILE A 14 -11.386 -2.458 -2.217 1.00 51.41 C ATOM 152 CG1 ILE A 14 -10.569 -2.821 -0.978 1.00 31.14 C ATOM 153 CG2 ILE A 14 -10.555 -2.666 -3.487 1.00 72.12 C ATOM 154 CD1 ILE A 14 -10.045 -4.228 -0.987 1.00 35.13 C ATOM 0 H ILE A 14 -13.547 -1.479 -0.949 1.00 51.43 H new ATOM 0 HA ILE A 14 -11.033 -0.344 -1.944 1.00 32.41 H new ATOM 0 HB ILE A 14 -12.254 -3.116 -2.273 1.00 51.41 H new ATOM 0 HG12 ILE A 14 -9.729 -2.131 -0.893 1.00 31.14 H new ATOM 0 HG13 ILE A 14 -11.188 -2.680 -0.092 1.00 31.14 H new ATOM 0 HG21 ILE A 14 -10.214 -3.700 -3.534 1.00 72.12 H new ATOM 0 HG22 ILE A 14 -11.166 -2.445 -4.362 1.00 72.12 H new ATOM 0 HG23 ILE A 14 -9.692 -2.000 -3.470 1.00 72.12 H new ATOM 0 HD11 ILE A 14 -9.476 -4.410 -0.075 1.00 35.13 H new ATOM 0 HD12 ILE A 14 -10.880 -4.927 -1.039 1.00 35.13 H new ATOM 0 HD13 ILE A 14 -9.398 -4.370 -1.853 1.00 35.13 H new ATOM 161 N THR A 15 -11.937 0.281 -4.129 1.00 2.13 N ATOM 162 CA THR A 15 -12.411 0.728 -5.410 1.00 11.15 C ATOM 163 C THR A 15 -11.445 0.240 -6.501 1.00 41.40 C ATOM 164 O THR A 15 -10.232 0.449 -6.397 1.00 62.31 O ATOM 165 CB THR A 15 -12.500 2.273 -5.432 1.00 52.25 C ATOM 166 OG1 THR A 15 -13.339 2.716 -4.347 1.00 62.44 O ATOM 167 CG2 THR A 15 -13.082 2.774 -6.751 1.00 1.41 C ATOM 0 H THR A 15 -11.063 0.719 -3.837 1.00 2.13 H new ATOM 0 HA THR A 15 -13.405 0.320 -5.594 1.00 11.15 H new ATOM 0 HB THR A 15 -11.493 2.676 -5.324 1.00 52.25 H new ATOM 0 HG1 THR A 15 -13.397 3.694 -4.356 1.00 62.44 H new ATOM 0 HG21 THR A 15 -13.132 3.863 -6.736 1.00 1.41 H new ATOM 0 HG22 THR A 15 -12.446 2.451 -7.575 1.00 1.41 H new ATOM 0 HG23 THR A 15 -14.084 2.367 -6.885 1.00 1.41 H new ATOM 173 N TYR A 16 -11.970 -0.424 -7.513 1.00 44.44 N ATOM 174 CA TYR A 16 -11.140 -0.932 -8.594 1.00 51.31 C ATOM 175 C TYR A 16 -11.090 0.054 -9.742 1.00 41.00 C ATOM 176 O TYR A 16 -12.104 0.336 -10.367 1.00 62.23 O ATOM 177 CB TYR A 16 -11.646 -2.304 -9.077 1.00 13.35 C ATOM 178 CG TYR A 16 -11.526 -3.395 -8.032 1.00 51.24 C ATOM 179 CD1 TYR A 16 -10.375 -4.160 -7.950 1.00 23.40 C ATOM 180 CD2 TYR A 16 -12.548 -3.651 -7.124 1.00 31.35 C ATOM 181 CE1 TYR A 16 -10.238 -5.145 -7.001 1.00 52.41 C ATOM 182 CE2 TYR A 16 -12.418 -4.639 -6.165 1.00 74.44 C ATOM 183 CZ TYR A 16 -11.259 -5.381 -6.108 1.00 3.04 C ATOM 184 OH TYR A 16 -11.115 -6.362 -5.152 1.00 65.22 O ATOM 0 H TYR A 16 -12.965 -0.625 -7.611 1.00 44.44 H new ATOM 0 HA TYR A 16 -10.128 -1.060 -8.210 1.00 51.31 H new ATOM 0 HB2 TYR A 16 -12.690 -2.212 -9.377 1.00 13.35 H new ATOM 0 HB3 TYR A 16 -11.084 -2.598 -9.964 1.00 13.35 H new ATOM 0 HD1 TYR A 16 -9.569 -3.979 -8.645 1.00 23.40 H new ATOM 0 HD2 TYR A 16 -13.457 -3.069 -7.169 1.00 31.35 H new ATOM 0 HE1 TYR A 16 -9.332 -5.732 -6.956 1.00 52.41 H new ATOM 0 HE2 TYR A 16 -13.219 -4.827 -5.466 1.00 74.44 H new ATOM 0 HH TYR A 16 -11.961 -6.845 -5.049 1.00 65.22 H new ATOM 194 N VAL A 17 -9.922 0.601 -9.991 1.00 51.42 N ATOM 195 CA VAL A 17 -9.737 1.545 -11.066 1.00 51.24 C ATOM 196 C VAL A 17 -8.519 1.164 -11.907 1.00 72.24 C ATOM 197 O VAL A 17 -7.520 0.677 -11.383 1.00 15.15 O ATOM 198 CB VAL A 17 -9.615 3.012 -10.546 1.00 51.44 C ATOM 199 CG1 VAL A 17 -8.401 3.199 -9.667 1.00 40.43 C ATOM 200 CG2 VAL A 17 -9.639 4.025 -11.686 1.00 32.40 C ATOM 0 H VAL A 17 -9.077 0.404 -9.455 1.00 51.42 H new ATOM 0 HA VAL A 17 -10.626 1.502 -11.695 1.00 51.24 H new ATOM 0 HB VAL A 17 -10.494 3.200 -9.929 1.00 51.44 H new ATOM 0 HG11 VAL A 17 -8.354 4.233 -9.327 1.00 40.43 H new ATOM 0 HG12 VAL A 17 -8.471 2.536 -8.805 1.00 40.43 H new ATOM 0 HG13 VAL A 17 -7.501 2.962 -10.235 1.00 40.43 H new ATOM 0 HG21 VAL A 17 -9.552 5.033 -11.279 1.00 32.40 H new ATOM 0 HG22 VAL A 17 -8.805 3.833 -12.361 1.00 32.40 H new ATOM 0 HG23 VAL A 17 -10.577 3.935 -12.233 1.00 32.40 H new ATOM 206 N LYS A 18 -8.624 1.349 -13.181 1.00 72.31 N ATOM 207 CA LYS A 18 -7.536 1.086 -14.085 1.00 22.21 C ATOM 208 C LYS A 18 -6.677 2.341 -14.195 1.00 34.53 C ATOM 209 O LYS A 18 -7.208 3.456 -14.392 1.00 45.32 O ATOM 210 CB LYS A 18 -8.081 0.685 -15.460 1.00 11.11 C ATOM 211 CG LYS A 18 -7.013 0.357 -16.497 1.00 50.32 C ATOM 212 CD LYS A 18 -7.629 -0.053 -17.831 1.00 63.02 C ATOM 213 CE LYS A 18 -8.453 1.071 -18.453 1.00 11.14 C ATOM 214 NZ LYS A 18 -9.053 0.671 -19.744 1.00 10.13 N ATOM 0 H LYS A 18 -9.471 1.690 -13.635 1.00 72.31 H new ATOM 0 HA LYS A 18 -6.929 0.263 -13.708 1.00 22.21 H new ATOM 0 HB2 LYS A 18 -8.730 -0.182 -15.340 1.00 11.11 H new ATOM 0 HB3 LYS A 18 -8.701 1.497 -15.841 1.00 11.11 H new ATOM 0 HG2 LYS A 18 -6.370 1.225 -16.644 1.00 50.32 H new ATOM 0 HG3 LYS A 18 -6.380 -0.449 -16.125 1.00 50.32 H new ATOM 0 HD2 LYS A 18 -6.837 -0.346 -18.521 1.00 63.02 H new ATOM 0 HD3 LYS A 18 -8.263 -0.928 -17.684 1.00 63.02 H new ATOM 0 HE2 LYS A 18 -9.243 1.366 -17.762 1.00 11.14 H new ATOM 0 HE3 LYS A 18 -7.819 1.945 -18.604 1.00 11.14 H new ATOM 0 HZ1 LYS A 18 -9.604 1.464 -20.131 1.00 10.13 H new ATOM 0 HZ2 LYS A 18 -8.299 0.414 -20.413 1.00 10.13 H new ATOM 0 HZ3 LYS A 18 -9.679 -0.146 -19.597 1.00 10.13 H new ATOM 228 N GLY A 19 -5.385 2.182 -14.059 1.00 44.34 N ATOM 229 CA GLY A 19 -4.505 3.312 -14.124 1.00 72.11 C ATOM 230 C GLY A 19 -3.194 3.043 -13.452 1.00 32.31 C ATOM 231 O GLY A 19 -3.099 2.150 -12.618 1.00 43.35 O ATOM 0 H GLY A 19 -4.925 1.285 -13.904 1.00 44.34 H new ATOM 0 HA2 GLY A 19 -4.330 3.575 -15.167 1.00 72.11 H new ATOM 0 HA3 GLY A 19 -4.983 4.171 -13.654 1.00 72.11 H new ATOM 235 N ASP A 20 -2.188 3.801 -13.825 1.00 15.15 N ATOM 236 CA ASP A 20 -0.845 3.655 -13.275 1.00 11.44 C ATOM 237 C ASP A 20 -0.798 4.253 -11.878 1.00 13.04 C ATOM 238 O ASP A 20 -1.253 5.388 -11.657 1.00 53.01 O ATOM 239 CB ASP A 20 0.171 4.360 -14.176 1.00 11.21 C ATOM 240 CG ASP A 20 1.606 4.194 -13.721 1.00 20.32 C ATOM 241 OD1 ASP A 20 2.084 4.998 -12.898 1.00 24.33 O ATOM 242 OD2 ASP A 20 2.291 3.281 -14.214 1.00 11.53 O ATOM 0 H ASP A 20 -2.271 4.542 -14.521 1.00 15.15 H new ATOM 0 HA ASP A 20 -0.594 2.596 -13.223 1.00 11.44 H new ATOM 0 HB2 ASP A 20 0.074 3.973 -15.190 1.00 11.21 H new ATOM 0 HB3 ASP A 20 -0.068 5.423 -14.216 1.00 11.21 H new ATOM 247 N LEU A 21 -0.239 3.516 -10.959 1.00 33.41 N ATOM 248 CA LEU A 21 -0.195 3.883 -9.553 1.00 63.24 C ATOM 249 C LEU A 21 0.678 5.131 -9.299 1.00 30.11 C ATOM 250 O LEU A 21 0.441 5.896 -8.375 1.00 54.34 O ATOM 251 CB LEU A 21 0.337 2.696 -8.750 1.00 52.32 C ATOM 252 CG LEU A 21 0.336 2.839 -7.242 1.00 4.35 C ATOM 253 CD1 LEU A 21 -1.076 2.942 -6.715 1.00 24.12 C ATOM 254 CD2 LEU A 21 1.055 1.689 -6.604 1.00 53.11 C ATOM 0 H LEU A 21 0.211 2.623 -11.161 1.00 33.41 H new ATOM 0 HA LEU A 21 -1.207 4.136 -9.235 1.00 63.24 H new ATOM 0 HB2 LEU A 21 -0.254 1.818 -9.009 1.00 52.32 H new ATOM 0 HB3 LEU A 21 1.359 2.498 -9.072 1.00 52.32 H new ATOM 0 HG LEU A 21 0.862 3.758 -6.986 1.00 4.35 H new ATOM 0 HD11 LEU A 21 -1.053 3.044 -5.630 1.00 24.12 H new ATOM 0 HD12 LEU A 21 -1.564 3.813 -7.151 1.00 24.12 H new ATOM 0 HD13 LEU A 21 -1.631 2.043 -6.983 1.00 24.12 H new ATOM 0 HD21 LEU A 21 1.044 1.809 -5.521 1.00 53.11 H new ATOM 0 HD22 LEU A 21 0.558 0.756 -6.871 1.00 53.11 H new ATOM 0 HD23 LEU A 21 2.086 1.664 -6.956 1.00 53.11 H new ATOM 262 N PHE A 22 1.677 5.332 -10.106 1.00 62.05 N ATOM 263 CA PHE A 22 2.556 6.467 -9.921 1.00 52.00 C ATOM 264 C PHE A 22 1.968 7.763 -10.461 1.00 4.12 C ATOM 265 O PHE A 22 2.564 8.831 -10.325 1.00 44.52 O ATOM 266 CB PHE A 22 3.955 6.184 -10.448 1.00 31.34 C ATOM 267 CG PHE A 22 4.602 5.064 -9.696 1.00 32.13 C ATOM 268 CD1 PHE A 22 5.284 5.314 -8.521 1.00 52.41 C ATOM 269 CD2 PHE A 22 4.501 3.761 -10.139 1.00 4.33 C ATOM 270 CE1 PHE A 22 5.854 4.290 -7.808 1.00 14.32 C ATOM 271 CE2 PHE A 22 5.060 2.735 -9.428 1.00 33.25 C ATOM 272 CZ PHE A 22 5.741 2.997 -8.261 1.00 53.21 C ATOM 0 H PHE A 22 1.910 4.733 -10.898 1.00 62.05 H new ATOM 0 HA PHE A 22 2.652 6.621 -8.846 1.00 52.00 H new ATOM 0 HB2 PHE A 22 3.903 5.932 -11.507 1.00 31.34 H new ATOM 0 HB3 PHE A 22 4.566 7.082 -10.364 1.00 31.34 H new ATOM 0 HD1 PHE A 22 5.369 6.328 -8.159 1.00 52.41 H new ATOM 0 HD2 PHE A 22 3.974 3.549 -11.058 1.00 4.33 H new ATOM 0 HE1 PHE A 22 6.390 4.499 -6.894 1.00 14.32 H new ATOM 0 HE2 PHE A 22 4.967 1.719 -9.782 1.00 33.25 H new ATOM 0 HZ PHE A 22 6.186 2.187 -7.702 1.00 53.21 H new ATOM 282 N ALA A 23 0.799 7.672 -11.057 1.00 32.22 N ATOM 283 CA ALA A 23 0.119 8.835 -11.603 1.00 73.21 C ATOM 284 C ALA A 23 -0.964 9.327 -10.639 1.00 75.35 C ATOM 285 O ALA A 23 -1.741 10.221 -10.965 1.00 42.13 O ATOM 286 CB ALA A 23 -0.490 8.494 -12.960 1.00 52.53 C ATOM 0 H ALA A 23 0.292 6.795 -11.178 1.00 32.22 H new ATOM 0 HA ALA A 23 0.847 9.635 -11.735 1.00 73.21 H new ATOM 0 HB1 ALA A 23 -0.998 9.371 -13.362 1.00 52.53 H new ATOM 0 HB2 ALA A 23 0.299 8.185 -13.646 1.00 52.53 H new ATOM 0 HB3 ALA A 23 -1.207 7.682 -12.843 1.00 52.53 H new ATOM 292 N CYS A 24 -0.998 8.740 -9.459 1.00 1.25 N ATOM 293 CA CYS A 24 -1.985 9.078 -8.446 1.00 54.55 C ATOM 294 C CYS A 24 -1.688 10.431 -7.778 1.00 44.34 C ATOM 295 O CYS A 24 -0.512 10.842 -7.691 1.00 41.34 O ATOM 296 CB CYS A 24 -2.023 7.975 -7.405 1.00 5.30 C ATOM 297 SG CYS A 24 -2.420 6.366 -8.094 1.00 1.40 S ATOM 0 H CYS A 24 -0.342 8.013 -9.173 1.00 1.25 H new ATOM 0 HA CYS A 24 -2.956 9.169 -8.932 1.00 54.55 H new ATOM 0 HB2 CYS A 24 -1.055 7.921 -6.907 1.00 5.30 H new ATOM 0 HB3 CYS A 24 -2.760 8.229 -6.643 1.00 5.30 H new ATOM 0 HG CYS A 24 -3.564 5.964 -7.625 1.00 1.40 H new ATOM 303 N PRO A 25 -2.766 11.140 -7.300 1.00 44.54 N ATOM 304 CA PRO A 25 -2.668 12.456 -6.630 1.00 72.22 C ATOM 305 C PRO A 25 -1.592 12.513 -5.549 1.00 53.20 C ATOM 306 O PRO A 25 -1.275 11.512 -4.922 1.00 11.33 O ATOM 307 CB PRO A 25 -4.044 12.625 -5.998 1.00 15.43 C ATOM 308 CG PRO A 25 -4.958 11.879 -6.897 1.00 60.33 C ATOM 309 CD PRO A 25 -4.178 10.697 -7.401 1.00 74.52 C ATOM 0 HA PRO A 25 -2.389 13.237 -7.337 1.00 72.22 H new ATOM 0 HB2 PRO A 25 -4.068 12.223 -4.985 1.00 15.43 H new ATOM 0 HB3 PRO A 25 -4.324 13.676 -5.931 1.00 15.43 H new ATOM 0 HG2 PRO A 25 -5.852 11.557 -6.363 1.00 60.33 H new ATOM 0 HG3 PRO A 25 -5.290 12.507 -7.723 1.00 60.33 H new ATOM 0 HD2 PRO A 25 -4.363 9.808 -6.798 1.00 74.52 H new ATOM 0 HD3 PRO A 25 -4.447 10.447 -8.427 1.00 74.52 H new ATOM 317 N LYS A 26 -1.086 13.708 -5.314 1.00 60.23 N ATOM 318 CA LYS A 26 0.028 13.956 -4.398 1.00 13.43 C ATOM 319 C LYS A 26 -0.222 13.431 -2.969 1.00 64.34 C ATOM 320 O LYS A 26 0.699 12.982 -2.309 1.00 75.52 O ATOM 321 CB LYS A 26 0.349 15.456 -4.367 1.00 43.14 C ATOM 322 CG LYS A 26 1.552 15.815 -3.518 1.00 22.41 C ATOM 323 CD LYS A 26 1.826 17.310 -3.500 1.00 41.10 C ATOM 324 CE LYS A 26 0.702 18.098 -2.842 1.00 43.22 C ATOM 325 NZ LYS A 26 1.002 19.543 -2.801 1.00 61.11 N ATOM 0 H LYS A 26 -1.439 14.555 -5.759 1.00 60.23 H new ATOM 0 HA LYS A 26 0.882 13.397 -4.781 1.00 13.43 H new ATOM 0 HB2 LYS A 26 0.522 15.801 -5.387 1.00 43.14 H new ATOM 0 HB3 LYS A 26 -0.521 15.995 -3.991 1.00 43.14 H new ATOM 0 HG2 LYS A 26 1.390 15.466 -2.498 1.00 22.41 H new ATOM 0 HG3 LYS A 26 2.430 15.292 -3.898 1.00 22.41 H new ATOM 0 HD2 LYS A 26 2.758 17.499 -2.968 1.00 41.10 H new ATOM 0 HD3 LYS A 26 1.964 17.664 -4.522 1.00 41.10 H new ATOM 0 HE2 LYS A 26 -0.226 17.934 -3.389 1.00 43.22 H new ATOM 0 HE3 LYS A 26 0.544 17.730 -1.828 1.00 43.22 H new ATOM 0 HZ1 LYS A 26 0.215 20.048 -2.346 1.00 61.11 H new ATOM 0 HZ2 LYS A 26 1.875 19.701 -2.258 1.00 61.11 H new ATOM 0 HZ3 LYS A 26 1.128 19.899 -3.770 1.00 61.11 H new ATOM 339 N THR A 27 -1.448 13.490 -2.510 1.00 53.32 N ATOM 340 CA THR A 27 -1.770 13.054 -1.167 1.00 55.41 C ATOM 341 C THR A 27 -2.372 11.606 -1.171 1.00 42.32 C ATOM 342 O THR A 27 -2.812 11.072 -0.133 1.00 11.13 O ATOM 343 CB THR A 27 -2.741 14.082 -0.528 1.00 62.35 C ATOM 344 OG1 THR A 27 -2.157 15.399 -0.658 1.00 1.31 O ATOM 345 CG2 THR A 27 -2.952 13.809 0.947 1.00 22.12 C ATOM 0 H THR A 27 -2.244 13.836 -3.046 1.00 53.32 H new ATOM 0 HA THR A 27 -0.860 13.008 -0.568 1.00 55.41 H new ATOM 0 HB THR A 27 -3.702 14.009 -1.038 1.00 62.35 H new ATOM 0 HG1 THR A 27 -2.758 16.064 -0.261 1.00 1.31 H new ATOM 0 HG21 THR A 27 -3.638 14.549 1.360 1.00 22.12 H new ATOM 0 HG22 THR A 27 -3.374 12.812 1.076 1.00 22.12 H new ATOM 0 HG23 THR A 27 -1.997 13.869 1.468 1.00 22.12 H new ATOM 351 N ASP A 28 -2.346 10.964 -2.330 1.00 25.30 N ATOM 352 CA ASP A 28 -2.876 9.611 -2.464 1.00 30.22 C ATOM 353 C ASP A 28 -1.711 8.648 -2.139 1.00 3.31 C ATOM 354 O ASP A 28 -0.837 8.380 -2.982 1.00 64.12 O ATOM 355 CB ASP A 28 -3.451 9.428 -3.901 1.00 63.21 C ATOM 356 CG ASP A 28 -4.386 8.237 -4.102 1.00 13.42 C ATOM 357 OD1 ASP A 28 -5.386 8.119 -3.347 1.00 33.24 O ATOM 358 OD2 ASP A 28 -4.174 7.443 -5.048 1.00 55.23 O ATOM 0 H ASP A 28 -1.965 11.356 -3.191 1.00 25.30 H new ATOM 0 HA ASP A 28 -3.700 9.405 -1.781 1.00 30.22 H new ATOM 0 HB2 ASP A 28 -3.988 10.336 -4.174 1.00 63.21 H new ATOM 0 HB3 ASP A 28 -2.616 9.330 -4.595 1.00 63.21 H new ATOM 363 N SER A 29 -1.676 8.217 -0.873 1.00 33.20 N ATOM 364 CA SER A 29 -0.552 7.471 -0.274 1.00 34.41 C ATOM 365 C SER A 29 -0.358 6.065 -0.839 1.00 74.32 C ATOM 366 O SER A 29 -1.240 5.243 -0.770 1.00 32.33 O ATOM 367 CB SER A 29 -0.728 7.433 1.237 1.00 61.51 C ATOM 368 OG SER A 29 -0.758 8.759 1.766 1.00 52.43 O ATOM 0 H SER A 29 -2.442 8.378 -0.219 1.00 33.20 H new ATOM 0 HA SER A 29 0.360 8.006 -0.538 1.00 34.41 H new ATOM 0 HB2 SER A 29 -1.652 6.913 1.489 1.00 61.51 H new ATOM 0 HB3 SER A 29 0.088 6.871 1.691 1.00 61.51 H new ATOM 0 HG SER A 29 -0.553 8.734 2.724 1.00 52.43 H new ATOM 374 N LEU A 30 0.842 5.805 -1.329 1.00 5.20 N ATOM 375 CA LEU A 30 1.182 4.563 -2.017 1.00 33.12 C ATOM 376 C LEU A 30 1.552 3.444 -1.041 1.00 14.20 C ATOM 377 O LEU A 30 2.523 3.549 -0.294 1.00 73.41 O ATOM 378 CB LEU A 30 2.371 4.812 -2.939 1.00 74.34 C ATOM 379 CG LEU A 30 2.198 5.903 -3.997 1.00 64.02 C ATOM 380 CD1 LEU A 30 3.533 6.257 -4.630 1.00 31.13 C ATOM 381 CD2 LEU A 30 1.294 5.395 -5.065 1.00 42.13 C ATOM 0 H LEU A 30 1.622 6.458 -1.261 1.00 5.20 H new ATOM 0 HA LEU A 30 0.303 4.248 -2.579 1.00 33.12 H new ATOM 0 HB2 LEU A 30 3.233 5.068 -2.323 1.00 74.34 H new ATOM 0 HB3 LEU A 30 2.609 3.878 -3.448 1.00 74.34 H new ATOM 0 HG LEU A 30 1.783 6.790 -3.519 1.00 64.02 H new ATOM 0 HD11 LEU A 30 3.386 7.035 -5.379 1.00 31.13 H new ATOM 0 HD12 LEU A 30 4.216 6.619 -3.861 1.00 31.13 H new ATOM 0 HD13 LEU A 30 3.957 5.372 -5.104 1.00 31.13 H new ATOM 0 HD21 LEU A 30 1.162 6.164 -5.826 1.00 42.13 H new ATOM 0 HD22 LEU A 30 1.731 4.506 -5.519 1.00 42.13 H new ATOM 0 HD23 LEU A 30 0.326 5.143 -4.633 1.00 42.13 H new ATOM 389 N ALA A 31 0.797 2.387 -1.061 1.00 13.43 N ATOM 390 CA ALA A 31 1.068 1.229 -0.240 1.00 21.14 C ATOM 391 C ALA A 31 1.385 0.041 -1.121 1.00 62.02 C ATOM 392 O ALA A 31 0.907 -0.044 -2.251 1.00 33.15 O ATOM 393 CB ALA A 31 -0.117 0.916 0.646 1.00 61.40 C ATOM 0 H ALA A 31 -0.032 2.296 -1.649 1.00 13.43 H new ATOM 0 HA ALA A 31 1.926 1.444 0.396 1.00 21.14 H new ATOM 0 HB1 ALA A 31 0.106 0.041 1.257 1.00 61.40 H new ATOM 0 HB2 ALA A 31 -0.322 1.768 1.294 1.00 61.40 H new ATOM 0 HB3 ALA A 31 -0.991 0.713 0.027 1.00 61.40 H new ATOM 399 N HIS A 32 2.215 -0.859 -0.627 1.00 52.41 N ATOM 400 CA HIS A 32 2.571 -2.061 -1.362 1.00 33.00 C ATOM 401 C HIS A 32 3.197 -3.100 -0.464 1.00 52.31 C ATOM 402 O HIS A 32 3.617 -2.805 0.657 1.00 32.24 O ATOM 403 CB HIS A 32 3.482 -1.767 -2.580 1.00 3.31 C ATOM 404 CG HIS A 32 4.769 -1.063 -2.267 1.00 74.11 C ATOM 405 ND1 HIS A 32 6.012 -1.667 -2.363 1.00 14.13 N ATOM 406 CD2 HIS A 32 5.009 0.226 -1.933 1.00 15.21 C ATOM 407 CE1 HIS A 32 6.936 -0.790 -2.111 1.00 41.33 C ATOM 408 NE2 HIS A 32 6.362 0.369 -1.847 1.00 63.05 N ATOM 0 H HIS A 32 2.659 -0.780 0.288 1.00 52.41 H new ATOM 0 HA HIS A 32 1.636 -2.466 -1.750 1.00 33.00 H new ATOM 0 HB2 HIS A 32 3.715 -2.710 -3.074 1.00 3.31 H new ATOM 0 HB3 HIS A 32 2.922 -1.163 -3.294 1.00 3.31 H new ATOM 0 HD2 HIS A 32 4.269 0.995 -1.766 1.00 15.21 H new ATOM 0 HE1 HIS A 32 7.999 -0.978 -2.117 1.00 41.33 H new ATOM 0 HE2 HIS A 32 6.852 1.233 -1.616 1.00 63.05 H new ATOM 417 N CYS A 33 3.271 -4.290 -0.973 1.00 2.32 N ATOM 418 CA CYS A 33 3.790 -5.425 -0.260 1.00 3.41 C ATOM 419 C CYS A 33 5.232 -5.704 -0.677 1.00 1.12 C ATOM 420 O CYS A 33 5.594 -5.492 -1.849 1.00 41.45 O ATOM 421 CB CYS A 33 2.891 -6.631 -0.578 1.00 34.10 C ATOM 422 SG CYS A 33 3.413 -8.206 0.105 1.00 73.42 S ATOM 0 H CYS A 33 2.965 -4.509 -1.921 1.00 2.32 H new ATOM 0 HA CYS A 33 3.791 -5.230 0.812 1.00 3.41 H new ATOM 0 HB2 CYS A 33 1.886 -6.415 -0.214 1.00 34.10 H new ATOM 0 HB3 CYS A 33 2.823 -6.732 -1.661 1.00 34.10 H new ATOM 0 HG CYS A 33 3.409 -9.108 -0.831 1.00 73.42 H new ATOM 428 N ILE A 34 6.055 -6.103 0.292 1.00 15.22 N ATOM 429 CA ILE A 34 7.425 -6.542 0.062 1.00 40.01 C ATOM 430 C ILE A 34 7.817 -7.558 1.121 1.00 45.13 C ATOM 431 O ILE A 34 7.052 -7.848 2.041 1.00 62.11 O ATOM 432 CB ILE A 34 8.521 -5.416 0.057 1.00 15.12 C ATOM 433 CG1 ILE A 34 8.525 -4.615 1.359 1.00 51.24 C ATOM 434 CG2 ILE A 34 8.420 -4.499 -1.163 1.00 23.13 C ATOM 435 CD1 ILE A 34 9.706 -3.680 1.464 1.00 32.42 C ATOM 0 H ILE A 34 5.781 -6.130 1.274 1.00 15.22 H new ATOM 0 HA ILE A 34 7.407 -6.955 -0.946 1.00 40.01 H new ATOM 0 HB ILE A 34 9.480 -5.929 -0.015 1.00 15.12 H new ATOM 0 HG12 ILE A 34 7.603 -4.038 1.429 1.00 51.24 H new ATOM 0 HG13 ILE A 34 8.535 -5.303 2.204 1.00 51.24 H new ATOM 0 HG21 ILE A 34 9.201 -3.741 -1.114 1.00 23.13 H new ATOM 0 HG22 ILE A 34 8.543 -5.088 -2.072 1.00 23.13 H new ATOM 0 HG23 ILE A 34 7.444 -4.014 -1.174 1.00 23.13 H new ATOM 0 HD11 ILE A 34 9.657 -3.137 2.408 1.00 32.42 H new ATOM 0 HD12 ILE A 34 10.631 -4.256 1.424 1.00 32.42 H new ATOM 0 HD13 ILE A 34 9.684 -2.971 0.636 1.00 32.42 H new ATOM 442 N SER A 35 8.976 -8.113 0.968 1.00 45.33 N ATOM 443 CA SER A 35 9.527 -9.021 1.934 1.00 20.45 C ATOM 444 C SER A 35 10.360 -8.208 2.959 1.00 43.20 C ATOM 445 O SER A 35 10.754 -7.079 2.676 1.00 75.41 O ATOM 446 CB SER A 35 10.418 -10.030 1.193 1.00 10.05 C ATOM 447 OG SER A 35 11.062 -10.921 2.065 1.00 1.40 O ATOM 0 H SER A 35 9.577 -7.950 0.161 1.00 45.33 H new ATOM 0 HA SER A 35 8.740 -9.558 2.464 1.00 20.45 H new ATOM 0 HB2 SER A 35 9.811 -10.595 0.485 1.00 10.05 H new ATOM 0 HB3 SER A 35 11.166 -9.491 0.612 1.00 10.05 H new ATOM 0 HG SER A 35 10.514 -11.046 2.868 1.00 1.40 H new ATOM 453 N GLU A 36 10.628 -8.807 4.112 1.00 1.01 N ATOM 454 CA GLU A 36 11.388 -8.198 5.216 1.00 50.10 C ATOM 455 C GLU A 36 12.804 -7.861 4.781 1.00 52.13 C ATOM 456 O GLU A 36 13.353 -6.821 5.160 1.00 53.04 O ATOM 457 CB GLU A 36 11.337 -9.173 6.415 1.00 34.41 C ATOM 458 CG GLU A 36 12.045 -8.790 7.719 1.00 4.42 C ATOM 459 CD GLU A 36 13.542 -8.997 7.718 1.00 11.21 C ATOM 460 OE1 GLU A 36 13.981 -10.152 7.877 1.00 44.24 O ATOM 461 OE2 GLU A 36 14.298 -8.016 7.608 1.00 45.34 O ATOM 0 H GLU A 36 10.318 -9.756 4.319 1.00 1.01 H new ATOM 0 HA GLU A 36 10.946 -7.248 5.517 1.00 50.10 H new ATOM 0 HB2 GLU A 36 10.287 -9.349 6.651 1.00 34.41 H new ATOM 0 HB3 GLU A 36 11.753 -10.124 6.083 1.00 34.41 H new ATOM 0 HG2 GLU A 36 11.839 -7.741 7.932 1.00 4.42 H new ATOM 0 HG3 GLU A 36 11.613 -9.372 8.533 1.00 4.42 H new ATOM 468 N ASP A 37 13.362 -8.695 3.899 1.00 11.24 N ATOM 469 CA ASP A 37 14.726 -8.484 3.373 1.00 24.12 C ATOM 470 C ASP A 37 14.730 -7.273 2.431 1.00 71.00 C ATOM 471 O ASP A 37 15.772 -6.834 1.957 1.00 60.42 O ATOM 472 CB ASP A 37 15.206 -9.748 2.618 1.00 4.30 C ATOM 473 CG ASP A 37 16.663 -9.689 2.178 1.00 60.12 C ATOM 474 OD1 ASP A 37 17.550 -10.026 2.990 1.00 44.32 O ATOM 475 OD2 ASP A 37 16.946 -9.309 1.019 1.00 33.33 O ATOM 0 H ASP A 37 12.896 -9.524 3.531 1.00 11.24 H new ATOM 0 HA ASP A 37 15.406 -8.295 4.203 1.00 24.12 H new ATOM 0 HB2 ASP A 37 15.066 -10.618 3.260 1.00 4.30 H new ATOM 0 HB3 ASP A 37 14.577 -9.895 1.740 1.00 4.30 H new ATOM 480 N CYS A 38 13.538 -6.731 2.214 1.00 63.42 N ATOM 481 CA CYS A 38 13.295 -5.593 1.373 1.00 42.25 C ATOM 482 C CYS A 38 13.588 -5.926 -0.068 1.00 24.23 C ATOM 483 O CYS A 38 14.690 -5.712 -0.571 1.00 13.20 O ATOM 484 CB CYS A 38 14.048 -4.345 1.859 1.00 64.45 C ATOM 485 SG CYS A 38 13.640 -3.865 3.561 1.00 3.13 S ATOM 0 H CYS A 38 12.687 -7.096 2.642 1.00 63.42 H new ATOM 0 HA CYS A 38 12.236 -5.343 1.440 1.00 42.25 H new ATOM 0 HB2 CYS A 38 15.120 -4.528 1.789 1.00 64.45 H new ATOM 0 HB3 CYS A 38 13.823 -3.513 1.192 1.00 64.45 H new ATOM 0 HG CYS A 38 13.499 -4.932 4.291 1.00 3.13 H new ATOM 491 N ARG A 39 12.616 -6.531 -0.708 1.00 42.45 N ATOM 492 CA ARG A 39 12.753 -6.942 -2.073 1.00 35.32 C ATOM 493 C ARG A 39 12.104 -5.976 -3.017 1.00 22.14 C ATOM 494 O ARG A 39 10.937 -6.136 -3.379 1.00 14.42 O ATOM 495 CB ARG A 39 12.210 -8.353 -2.320 1.00 10.43 C ATOM 496 CG ARG A 39 13.005 -9.484 -1.694 1.00 21.51 C ATOM 497 CD ARG A 39 14.411 -9.548 -2.255 1.00 12.45 C ATOM 498 NE ARG A 39 15.126 -10.731 -1.782 1.00 23.21 N ATOM 499 CZ ARG A 39 16.449 -10.842 -1.716 1.00 1.24 C ATOM 500 NH1 ARG A 39 17.228 -9.821 -2.066 1.00 1.31 N ATOM 501 NH2 ARG A 39 16.992 -11.980 -1.305 1.00 41.32 N ATOM 0 H ARG A 39 11.711 -6.749 -0.292 1.00 42.45 H new ATOM 0 HA ARG A 39 13.825 -6.955 -2.270 1.00 35.32 H new ATOM 0 HB2 ARG A 39 11.188 -8.400 -1.943 1.00 10.43 H new ATOM 0 HB3 ARG A 39 12.161 -8.520 -3.396 1.00 10.43 H new ATOM 0 HG2 ARG A 39 13.049 -9.346 -0.614 1.00 21.51 H new ATOM 0 HG3 ARG A 39 12.496 -10.431 -1.874 1.00 21.51 H new ATOM 0 HD2 ARG A 39 14.369 -9.559 -3.344 1.00 12.45 H new ATOM 0 HD3 ARG A 39 14.959 -8.651 -1.967 1.00 12.45 H new ATOM 0 HE ARG A 39 14.569 -11.530 -1.480 1.00 23.21 H new ATOM 0 HH11 ARG A 39 16.810 -8.948 -2.387 1.00 1.31 H new ATOM 0 HH12 ARG A 39 18.243 -9.912 -2.013 1.00 1.31 H new ATOM 0 HH21 ARG A 39 16.395 -12.764 -1.042 1.00 41.32 H new ATOM 0 HH22 ARG A 39 18.007 -12.071 -1.252 1.00 41.32 H new ATOM 513 N MET A 40 12.815 -4.942 -3.359 1.00 5.51 N ATOM 514 CA MET A 40 12.343 -4.044 -4.365 1.00 22.21 C ATOM 515 C MET A 40 12.903 -4.394 -5.715 1.00 14.02 C ATOM 516 O MET A 40 12.586 -3.772 -6.689 1.00 2.32 O ATOM 517 CB MET A 40 12.528 -2.551 -4.040 1.00 64.33 C ATOM 518 CG MET A 40 11.549 -1.996 -2.996 1.00 23.02 C ATOM 519 SD MET A 40 11.813 -2.590 -1.326 1.00 31.45 S ATOM 520 CE MET A 40 13.353 -1.780 -0.974 1.00 32.43 C ATOM 0 H MET A 40 13.721 -4.702 -2.956 1.00 5.51 H new ATOM 0 HA MET A 40 11.263 -4.187 -4.387 1.00 22.21 H new ATOM 0 HB2 MET A 40 13.546 -2.394 -3.683 1.00 64.33 H new ATOM 0 HB3 MET A 40 12.421 -1.977 -4.960 1.00 64.33 H new ATOM 0 HG2 MET A 40 11.619 -0.908 -2.995 1.00 23.02 H new ATOM 0 HG3 MET A 40 10.533 -2.249 -3.300 1.00 23.02 H new ATOM 0 HE1 MET A 40 13.527 -1.780 0.102 1.00 32.43 H new ATOM 0 HE2 MET A 40 14.165 -2.310 -1.473 1.00 32.43 H new ATOM 0 HE3 MET A 40 13.314 -0.752 -1.335 1.00 32.43 H new ATOM 530 N GLY A 41 13.720 -5.410 -5.773 1.00 24.42 N ATOM 531 CA GLY A 41 14.281 -5.829 -7.035 1.00 21.42 C ATOM 532 C GLY A 41 13.432 -6.883 -7.697 1.00 72.52 C ATOM 533 O GLY A 41 13.935 -7.937 -8.099 1.00 31.42 O ATOM 0 H GLY A 41 14.013 -5.963 -4.967 1.00 24.42 H new ATOM 0 HA2 GLY A 41 14.374 -4.968 -7.696 1.00 21.42 H new ATOM 0 HA3 GLY A 41 15.287 -6.218 -6.875 1.00 21.42 H new ATOM 537 N ALA A 42 12.145 -6.612 -7.825 1.00 33.44 N ATOM 538 CA ALA A 42 11.256 -7.590 -8.393 1.00 32.24 C ATOM 539 C ALA A 42 10.241 -7.012 -9.362 1.00 2.23 C ATOM 540 O ALA A 42 10.511 -6.898 -10.549 1.00 43.23 O ATOM 541 CB ALA A 42 10.607 -8.453 -7.319 1.00 61.15 C ATOM 0 H ALA A 42 11.704 -5.735 -7.546 1.00 33.44 H new ATOM 0 HA ALA A 42 11.884 -8.241 -9.001 1.00 32.24 H new ATOM 0 HB1 ALA A 42 9.943 -9.179 -7.788 1.00 61.15 H new ATOM 0 HB2 ALA A 42 11.380 -8.978 -6.758 1.00 61.15 H new ATOM 0 HB3 ALA A 42 10.033 -7.821 -6.642 1.00 61.15 H new ATOM 547 N GLY A 43 9.108 -6.636 -8.855 1.00 44.33 N ATOM 548 CA GLY A 43 8.038 -6.140 -9.708 1.00 32.41 C ATOM 549 C GLY A 43 7.849 -4.646 -9.614 1.00 64.44 C ATOM 550 O GLY A 43 8.779 -3.878 -9.846 1.00 62.45 O ATOM 0 H GLY A 43 8.887 -6.657 -7.859 1.00 44.33 H new ATOM 0 HA2 GLY A 43 8.252 -6.409 -10.742 1.00 32.41 H new ATOM 0 HA3 GLY A 43 7.106 -6.636 -9.437 1.00 32.41 H new ATOM 554 N ILE A 44 6.653 -4.230 -9.255 1.00 24.11 N ATOM 555 CA ILE A 44 6.322 -2.804 -9.124 1.00 4.35 C ATOM 556 C ILE A 44 7.139 -2.152 -7.987 1.00 71.23 C ATOM 557 O ILE A 44 7.338 -0.937 -7.952 1.00 42.43 O ATOM 558 CB ILE A 44 4.786 -2.593 -8.905 1.00 30.44 C ATOM 559 CG1 ILE A 44 4.439 -1.097 -8.801 1.00 11.43 C ATOM 560 CG2 ILE A 44 4.282 -3.367 -7.680 1.00 43.43 C ATOM 561 CD1 ILE A 44 2.982 -0.811 -8.545 1.00 34.10 C ATOM 0 H ILE A 44 5.877 -4.858 -9.044 1.00 24.11 H new ATOM 0 HA ILE A 44 6.591 -2.313 -10.059 1.00 4.35 H new ATOM 0 HB ILE A 44 4.272 -2.993 -9.779 1.00 30.44 H new ATOM 0 HG12 ILE A 44 5.030 -0.655 -7.999 1.00 11.43 H new ATOM 0 HG13 ILE A 44 4.736 -0.603 -9.726 1.00 11.43 H new ATOM 0 HG21 ILE A 44 3.212 -3.198 -7.558 1.00 43.43 H new ATOM 0 HG22 ILE A 44 4.467 -4.432 -7.821 1.00 43.43 H new ATOM 0 HG23 ILE A 44 4.808 -3.022 -6.790 1.00 43.43 H new ATOM 0 HD11 ILE A 44 2.828 0.266 -8.486 1.00 34.10 H new ATOM 0 HD12 ILE A 44 2.383 -1.220 -9.358 1.00 34.10 H new ATOM 0 HD13 ILE A 44 2.680 -1.273 -7.605 1.00 34.10 H new ATOM 568 N ALA A 45 7.637 -2.986 -7.089 1.00 24.31 N ATOM 569 CA ALA A 45 8.454 -2.541 -5.977 1.00 61.30 C ATOM 570 C ALA A 45 9.731 -1.833 -6.472 1.00 21.42 C ATOM 571 O ALA A 45 10.256 -0.942 -5.792 1.00 1.45 O ATOM 572 CB ALA A 45 8.784 -3.724 -5.069 1.00 70.13 C ATOM 0 H ALA A 45 7.484 -3.994 -7.113 1.00 24.31 H new ATOM 0 HA ALA A 45 7.889 -1.810 -5.398 1.00 61.30 H new ATOM 0 HB1 ALA A 45 9.398 -3.383 -4.236 1.00 70.13 H new ATOM 0 HB2 ALA A 45 7.860 -4.157 -4.686 1.00 70.13 H new ATOM 0 HB3 ALA A 45 9.330 -4.478 -5.637 1.00 70.13 H new ATOM 578 N VAL A 46 10.197 -2.212 -7.683 1.00 34.55 N ATOM 579 CA VAL A 46 11.398 -1.610 -8.299 1.00 2.24 C ATOM 580 C VAL A 46 11.173 -0.119 -8.490 1.00 50.23 C ATOM 581 O VAL A 46 12.007 0.711 -8.124 1.00 62.11 O ATOM 582 CB VAL A 46 11.720 -2.239 -9.704 1.00 73.32 C ATOM 583 CG1 VAL A 46 12.990 -1.640 -10.299 1.00 21.22 C ATOM 584 CG2 VAL A 46 11.832 -3.760 -9.643 1.00 64.55 C ATOM 0 H VAL A 46 9.757 -2.934 -8.253 1.00 34.55 H new ATOM 0 HA VAL A 46 12.237 -1.803 -7.631 1.00 2.24 H new ATOM 0 HB VAL A 46 10.880 -1.995 -10.354 1.00 73.32 H new ATOM 0 HG11 VAL A 46 13.186 -2.095 -11.270 1.00 21.22 H new ATOM 0 HG12 VAL A 46 12.862 -0.564 -10.421 1.00 21.22 H new ATOM 0 HG13 VAL A 46 13.830 -1.832 -9.632 1.00 21.22 H new ATOM 0 HG21 VAL A 46 12.055 -4.149 -10.637 1.00 64.55 H new ATOM 0 HG22 VAL A 46 12.631 -4.039 -8.956 1.00 64.55 H new ATOM 0 HG23 VAL A 46 10.890 -4.180 -9.292 1.00 64.55 H new ATOM 590 N LEU A 47 10.010 0.189 -9.024 1.00 44.14 N ATOM 591 CA LEU A 47 9.596 1.537 -9.346 1.00 2.13 C ATOM 592 C LEU A 47 9.595 2.438 -8.113 1.00 30.35 C ATOM 593 O LEU A 47 9.996 3.596 -8.191 1.00 41.20 O ATOM 594 CB LEU A 47 8.211 1.485 -9.978 1.00 14.12 C ATOM 595 CG LEU A 47 8.108 0.746 -11.319 1.00 21.52 C ATOM 596 CD1 LEU A 47 6.662 0.555 -11.710 1.00 73.40 C ATOM 597 CD2 LEU A 47 8.811 1.535 -12.396 1.00 33.32 C ATOM 0 H LEU A 47 9.306 -0.513 -9.253 1.00 44.14 H new ATOM 0 HA LEU A 47 10.309 1.967 -10.049 1.00 2.13 H new ATOM 0 HB2 LEU A 47 7.529 1.011 -9.272 1.00 14.12 H new ATOM 0 HB3 LEU A 47 7.861 2.507 -10.122 1.00 14.12 H new ATOM 0 HG LEU A 47 8.580 -0.230 -11.209 1.00 21.52 H new ATOM 0 HD11 LEU A 47 6.609 0.029 -12.663 1.00 73.40 H new ATOM 0 HD12 LEU A 47 6.152 -0.030 -10.944 1.00 73.40 H new ATOM 0 HD13 LEU A 47 6.179 1.528 -11.805 1.00 73.40 H new ATOM 0 HD21 LEU A 47 8.734 1.004 -13.345 1.00 33.32 H new ATOM 0 HD22 LEU A 47 8.346 2.516 -12.490 1.00 33.32 H new ATOM 0 HD23 LEU A 47 9.862 1.655 -12.132 1.00 33.32 H new ATOM 605 N PHE A 48 9.173 1.896 -6.980 1.00 55.42 N ATOM 606 CA PHE A 48 9.144 2.664 -5.740 1.00 60.41 C ATOM 607 C PHE A 48 10.540 3.004 -5.251 1.00 42.34 C ATOM 608 O PHE A 48 10.815 4.158 -4.895 1.00 43.43 O ATOM 609 CB PHE A 48 8.370 1.956 -4.630 1.00 61.40 C ATOM 610 CG PHE A 48 6.885 1.865 -4.836 1.00 54.31 C ATOM 611 CD1 PHE A 48 6.056 2.904 -4.436 1.00 43.55 C ATOM 612 CD2 PHE A 48 6.306 0.740 -5.393 1.00 50.34 C ATOM 613 CE1 PHE A 48 4.716 2.825 -4.590 1.00 11.22 C ATOM 614 CE2 PHE A 48 4.937 0.662 -5.542 1.00 5.22 C ATOM 615 CZ PHE A 48 4.147 1.718 -5.134 1.00 43.00 C ATOM 0 H PHE A 48 8.847 0.933 -6.892 1.00 55.42 H new ATOM 0 HA PHE A 48 8.621 3.590 -5.980 1.00 60.41 H new ATOM 0 HB2 PHE A 48 8.767 0.947 -4.521 1.00 61.40 H new ATOM 0 HB3 PHE A 48 8.558 2.476 -3.691 1.00 61.40 H new ATOM 0 HD1 PHE A 48 6.489 3.790 -3.995 1.00 43.55 H new ATOM 0 HD2 PHE A 48 6.929 -0.082 -5.713 1.00 50.34 H new ATOM 0 HE1 PHE A 48 4.092 3.649 -4.278 1.00 11.22 H new ATOM 0 HE2 PHE A 48 4.486 -0.219 -5.975 1.00 5.22 H new ATOM 0 HZ PHE A 48 3.074 1.664 -5.248 1.00 43.00 H new ATOM 625 N LYS A 49 11.435 2.015 -5.231 1.00 74.23 N ATOM 626 CA LYS A 49 12.779 2.251 -4.771 1.00 10.24 C ATOM 627 C LYS A 49 13.466 3.243 -5.697 1.00 25.32 C ATOM 628 O LYS A 49 14.159 4.139 -5.253 1.00 45.12 O ATOM 629 CB LYS A 49 13.578 0.978 -4.786 1.00 23.32 C ATOM 630 CG LYS A 49 14.908 1.108 -4.070 1.00 1.14 C ATOM 631 CD LYS A 49 15.820 -0.037 -4.397 1.00 33.22 C ATOM 632 CE LYS A 49 16.344 0.094 -5.821 1.00 20.43 C ATOM 633 NZ LYS A 49 17.258 -0.996 -6.185 1.00 42.43 N ATOM 0 H LYS A 49 11.244 1.058 -5.527 1.00 74.23 H new ATOM 0 HA LYS A 49 12.725 2.640 -3.754 1.00 10.24 H new ATOM 0 HB2 LYS A 49 12.996 0.184 -4.319 1.00 23.32 H new ATOM 0 HB3 LYS A 49 13.755 0.678 -5.819 1.00 23.32 H new ATOM 0 HG2 LYS A 49 15.385 2.047 -4.352 1.00 1.14 H new ATOM 0 HG3 LYS A 49 14.741 1.146 -2.994 1.00 1.14 H new ATOM 0 HD2 LYS A 49 16.654 -0.058 -3.696 1.00 33.22 H new ATOM 0 HD3 LYS A 49 15.285 -0.980 -4.284 1.00 33.22 H new ATOM 0 HE2 LYS A 49 15.503 0.106 -6.515 1.00 20.43 H new ATOM 0 HE3 LYS A 49 16.860 1.048 -5.929 1.00 20.43 H new ATOM 0 HZ1 LYS A 49 17.587 -0.862 -7.162 1.00 42.43 H new ATOM 0 HZ2 LYS A 49 18.075 -0.993 -5.541 1.00 42.43 H new ATOM 0 HZ3 LYS A 49 16.760 -1.906 -6.109 1.00 42.43 H new ATOM 647 N LYS A 50 13.230 3.072 -6.979 1.00 0.11 N ATOM 648 CA LYS A 50 13.811 3.869 -8.006 1.00 11.43 C ATOM 649 C LYS A 50 13.320 5.320 -7.916 1.00 4.13 C ATOM 650 O LYS A 50 14.106 6.253 -8.050 1.00 1.40 O ATOM 651 CB LYS A 50 13.500 3.171 -9.371 1.00 23.03 C ATOM 652 CG LYS A 50 13.900 3.873 -10.667 1.00 71.42 C ATOM 653 CD LYS A 50 12.998 5.049 -10.961 1.00 45.21 C ATOM 654 CE LYS A 50 13.310 5.693 -12.302 1.00 52.32 C ATOM 655 NZ LYS A 50 13.058 4.765 -13.436 1.00 14.22 N ATOM 0 H LYS A 50 12.606 2.347 -7.334 1.00 0.11 H new ATOM 0 HA LYS A 50 14.893 3.939 -7.898 1.00 11.43 H new ATOM 0 HB2 LYS A 50 13.987 2.196 -9.361 1.00 23.03 H new ATOM 0 HB3 LYS A 50 12.426 2.991 -9.412 1.00 23.03 H new ATOM 0 HG2 LYS A 50 14.932 4.215 -10.593 1.00 71.42 H new ATOM 0 HG3 LYS A 50 13.857 3.164 -11.494 1.00 71.42 H new ATOM 0 HD2 LYS A 50 11.959 4.719 -10.952 1.00 45.21 H new ATOM 0 HD3 LYS A 50 13.103 5.792 -10.170 1.00 45.21 H new ATOM 0 HE2 LYS A 50 12.702 6.589 -12.424 1.00 52.32 H new ATOM 0 HE3 LYS A 50 14.353 6.011 -12.318 1.00 52.32 H new ATOM 0 HZ1 LYS A 50 13.068 5.298 -14.329 1.00 14.22 H new ATOM 0 HZ2 LYS A 50 13.799 4.036 -13.459 1.00 14.22 H new ATOM 0 HZ3 LYS A 50 12.130 4.311 -13.314 1.00 14.22 H new ATOM 669 N LYS A 51 12.044 5.498 -7.668 1.00 13.30 N ATOM 670 CA LYS A 51 11.447 6.813 -7.626 1.00 23.11 C ATOM 671 C LYS A 51 11.745 7.561 -6.321 1.00 23.53 C ATOM 672 O LYS A 51 11.913 8.789 -6.325 1.00 14.30 O ATOM 673 CB LYS A 51 9.936 6.695 -7.843 1.00 45.53 C ATOM 674 CG LYS A 51 9.185 8.007 -7.832 1.00 22.34 C ATOM 675 CD LYS A 51 7.707 7.780 -8.057 1.00 72.22 C ATOM 676 CE LYS A 51 6.916 9.076 -8.017 1.00 13.03 C ATOM 677 NZ LYS A 51 7.354 10.039 -9.049 1.00 3.50 N ATOM 0 H LYS A 51 11.390 4.736 -7.490 1.00 13.30 H new ATOM 0 HA LYS A 51 11.894 7.401 -8.427 1.00 23.11 H new ATOM 0 HB2 LYS A 51 9.759 6.200 -8.798 1.00 45.53 H new ATOM 0 HB3 LYS A 51 9.522 6.050 -7.068 1.00 45.53 H new ATOM 0 HG2 LYS A 51 9.339 8.512 -6.878 1.00 22.34 H new ATOM 0 HG3 LYS A 51 9.579 8.664 -8.608 1.00 22.34 H new ATOM 0 HD2 LYS A 51 7.558 7.295 -9.022 1.00 72.22 H new ATOM 0 HD3 LYS A 51 7.325 7.100 -7.296 1.00 72.22 H new ATOM 0 HE2 LYS A 51 5.857 8.856 -8.156 1.00 13.03 H new ATOM 0 HE3 LYS A 51 7.020 9.531 -7.032 1.00 13.03 H new ATOM 0 HZ1 LYS A 51 6.690 10.839 -9.082 1.00 3.50 H new ATOM 0 HZ2 LYS A 51 8.306 10.388 -8.816 1.00 3.50 H new ATOM 0 HZ3 LYS A 51 7.375 9.569 -9.976 1.00 3.50 H new ATOM 691 N PHE A 52 11.822 6.850 -5.217 1.00 3.11 N ATOM 692 CA PHE A 52 11.973 7.520 -3.931 1.00 11.12 C ATOM 693 C PHE A 52 13.363 7.353 -3.294 1.00 25.12 C ATOM 694 O PHE A 52 13.850 8.264 -2.637 1.00 52.30 O ATOM 695 CB PHE A 52 10.871 7.071 -2.956 1.00 4.34 C ATOM 696 CG PHE A 52 9.467 7.327 -3.461 1.00 33.12 C ATOM 697 CD1 PHE A 52 8.942 8.605 -3.462 1.00 70.13 C ATOM 698 CD2 PHE A 52 8.679 6.289 -3.927 1.00 25.33 C ATOM 699 CE1 PHE A 52 7.663 8.849 -3.920 1.00 24.01 C ATOM 700 CE2 PHE A 52 7.399 6.525 -4.386 1.00 50.01 C ATOM 701 CZ PHE A 52 6.891 7.807 -4.382 1.00 11.02 C ATOM 0 H PHE A 52 11.784 5.832 -5.175 1.00 3.11 H new ATOM 0 HA PHE A 52 11.869 8.585 -4.136 1.00 11.12 H new ATOM 0 HB2 PHE A 52 10.987 6.006 -2.757 1.00 4.34 H new ATOM 0 HB3 PHE A 52 11.006 7.589 -2.007 1.00 4.34 H new ATOM 0 HD1 PHE A 52 9.542 9.426 -3.099 1.00 70.13 H new ATOM 0 HD2 PHE A 52 9.070 5.282 -3.932 1.00 25.33 H new ATOM 0 HE1 PHE A 52 7.269 9.855 -3.916 1.00 24.01 H new ATOM 0 HE2 PHE A 52 6.795 5.706 -4.748 1.00 50.01 H new ATOM 0 HZ PHE A 52 5.889 7.993 -4.741 1.00 11.02 H new ATOM 711 N GLY A 53 14.000 6.211 -3.497 1.00 42.51 N ATOM 712 CA GLY A 53 15.274 5.943 -2.819 1.00 30.32 C ATOM 713 C GLY A 53 15.031 5.527 -1.373 1.00 73.54 C ATOM 714 O GLY A 53 15.922 5.572 -0.528 1.00 34.21 O ATOM 0 H GLY A 53 13.672 5.465 -4.110 1.00 42.51 H new ATOM 0 HA2 GLY A 53 15.814 5.155 -3.345 1.00 30.32 H new ATOM 0 HA3 GLY A 53 15.902 6.833 -2.847 1.00 30.32 H new ATOM 718 N GLY A 54 13.807 5.087 -1.134 1.00 34.11 N ATOM 719 CA GLY A 54 13.290 4.729 0.187 1.00 3.42 C ATOM 720 C GLY A 54 14.048 3.643 0.936 1.00 14.01 C ATOM 721 O GLY A 54 13.975 3.575 2.164 1.00 14.44 O ATOM 0 H GLY A 54 13.118 4.963 -1.876 1.00 34.11 H new ATOM 0 HA2 GLY A 54 13.279 5.627 0.805 1.00 3.42 H new ATOM 0 HA3 GLY A 54 12.255 4.407 0.074 1.00 3.42 H new ATOM 725 N VAL A 55 14.742 2.791 0.199 1.00 44.44 N ATOM 726 CA VAL A 55 15.418 1.607 0.749 1.00 0.51 C ATOM 727 C VAL A 55 16.303 1.910 1.982 1.00 41.50 C ATOM 728 O VAL A 55 16.312 1.142 2.939 1.00 2.14 O ATOM 729 CB VAL A 55 16.246 0.876 -0.350 1.00 25.45 C ATOM 730 CG1 VAL A 55 17.334 1.772 -0.942 1.00 32.21 C ATOM 731 CG2 VAL A 55 16.822 -0.444 0.155 1.00 11.44 C ATOM 0 H VAL A 55 14.858 2.895 -0.809 1.00 44.44 H new ATOM 0 HA VAL A 55 14.622 0.949 1.099 1.00 0.51 H new ATOM 0 HB VAL A 55 15.553 0.639 -1.157 1.00 25.45 H new ATOM 0 HG11 VAL A 55 17.885 1.220 -1.703 1.00 32.21 H new ATOM 0 HG12 VAL A 55 16.875 2.652 -1.392 1.00 32.21 H new ATOM 0 HG13 VAL A 55 18.018 2.083 -0.153 1.00 32.21 H new ATOM 0 HG21 VAL A 55 17.392 -0.921 -0.642 1.00 11.44 H new ATOM 0 HG22 VAL A 55 17.477 -0.254 1.005 1.00 11.44 H new ATOM 0 HG23 VAL A 55 16.009 -1.101 0.463 1.00 11.44 H new ATOM 737 N GLN A 56 16.990 3.036 1.970 1.00 45.34 N ATOM 738 CA GLN A 56 17.864 3.401 3.071 1.00 24.20 C ATOM 739 C GLN A 56 17.079 3.590 4.381 1.00 34.32 C ATOM 740 O GLN A 56 17.508 3.135 5.452 1.00 63.20 O ATOM 741 CB GLN A 56 18.682 4.640 2.719 1.00 21.05 C ATOM 742 CG GLN A 56 19.612 5.089 3.815 1.00 3.13 C ATOM 743 CD GLN A 56 20.650 4.038 4.179 1.00 73.45 C ATOM 744 OE1 GLN A 56 21.071 3.234 3.338 1.00 41.04 O ATOM 745 NE2 GLN A 56 21.055 4.026 5.417 1.00 32.13 N ATOM 0 H GLN A 56 16.961 3.715 1.210 1.00 45.34 H new ATOM 0 HA GLN A 56 18.558 2.577 3.237 1.00 24.20 H new ATOM 0 HB2 GLN A 56 19.266 4.435 1.822 1.00 21.05 H new ATOM 0 HB3 GLN A 56 18.001 5.456 2.477 1.00 21.05 H new ATOM 0 HG2 GLN A 56 20.120 6.001 3.502 1.00 3.13 H new ATOM 0 HG3 GLN A 56 19.028 5.337 4.701 1.00 3.13 H new ATOM 0 HE21 GLN A 56 20.684 4.705 6.081 1.00 32.13 H new ATOM 0 HE22 GLN A 56 21.743 3.337 5.722 1.00 32.13 H new ATOM 753 N GLU A 57 15.930 4.233 4.298 1.00 60.40 N ATOM 754 CA GLU A 57 15.088 4.397 5.471 1.00 71.03 C ATOM 755 C GLU A 57 14.512 3.081 5.934 1.00 53.45 C ATOM 756 O GLU A 57 14.331 2.862 7.132 1.00 23.13 O ATOM 757 CB GLU A 57 13.984 5.415 5.286 1.00 61.34 C ATOM 758 CG GLU A 57 14.448 6.834 5.133 1.00 45.40 C ATOM 759 CD GLU A 57 13.295 7.790 5.085 1.00 53.51 C ATOM 760 OE1 GLU A 57 12.736 8.109 6.152 1.00 62.45 O ATOM 761 OE2 GLU A 57 12.930 8.238 3.995 1.00 22.43 O ATOM 0 H GLU A 57 15.560 4.647 3.442 1.00 60.40 H new ATOM 0 HA GLU A 57 15.750 4.785 6.246 1.00 71.03 H new ATOM 0 HB2 GLU A 57 13.403 5.142 4.405 1.00 61.34 H new ATOM 0 HB3 GLU A 57 13.312 5.359 6.142 1.00 61.34 H new ATOM 0 HG2 GLU A 57 15.103 7.095 5.964 1.00 45.40 H new ATOM 0 HG3 GLU A 57 15.038 6.928 4.221 1.00 45.40 H new ATOM 768 N LEU A 58 14.223 2.213 4.999 1.00 24.15 N ATOM 769 CA LEU A 58 13.672 0.909 5.328 1.00 20.43 C ATOM 770 C LEU A 58 14.689 0.130 6.136 1.00 60.14 C ATOM 771 O LEU A 58 14.364 -0.475 7.166 1.00 32.31 O ATOM 772 CB LEU A 58 13.313 0.139 4.059 1.00 33.10 C ATOM 773 CG LEU A 58 12.349 0.834 3.102 1.00 61.12 C ATOM 774 CD1 LEU A 58 12.051 -0.056 1.917 1.00 63.21 C ATOM 775 CD2 LEU A 58 11.068 1.229 3.811 1.00 40.52 C ATOM 0 H LEU A 58 14.357 2.379 4.002 1.00 24.15 H new ATOM 0 HA LEU A 58 12.762 1.044 5.913 1.00 20.43 H new ATOM 0 HB2 LEU A 58 14.234 -0.081 3.519 1.00 33.10 H new ATOM 0 HB3 LEU A 58 12.878 -0.817 4.349 1.00 33.10 H new ATOM 0 HG LEU A 58 12.826 1.745 2.741 1.00 61.12 H new ATOM 0 HD11 LEU A 58 11.362 0.454 1.243 1.00 63.21 H new ATOM 0 HD12 LEU A 58 12.977 -0.279 1.388 1.00 63.21 H new ATOM 0 HD13 LEU A 58 11.598 -0.985 2.264 1.00 63.21 H new ATOM 0 HD21 LEU A 58 10.399 1.722 3.106 1.00 40.52 H new ATOM 0 HD22 LEU A 58 10.583 0.338 4.209 1.00 40.52 H new ATOM 0 HD23 LEU A 58 11.300 1.911 4.629 1.00 40.52 H new ATOM 783 N LEU A 59 15.929 0.199 5.685 1.00 31.43 N ATOM 784 CA LEU A 59 17.027 -0.489 6.318 1.00 72.02 C ATOM 785 C LEU A 59 17.324 0.044 7.709 1.00 55.44 C ATOM 786 O LEU A 59 17.725 -0.717 8.581 1.00 32.11 O ATOM 787 CB LEU A 59 18.280 -0.432 5.453 1.00 64.42 C ATOM 788 CG LEU A 59 18.169 -1.063 4.068 1.00 41.03 C ATOM 789 CD1 LEU A 59 19.480 -0.942 3.330 1.00 63.40 C ATOM 790 CD2 LEU A 59 17.734 -2.516 4.163 1.00 11.54 C ATOM 0 H LEU A 59 16.198 0.739 4.863 1.00 31.43 H new ATOM 0 HA LEU A 59 16.719 -1.529 6.427 1.00 72.02 H new ATOM 0 HB2 LEU A 59 18.566 0.613 5.332 1.00 64.42 H new ATOM 0 HB3 LEU A 59 19.091 -0.924 5.990 1.00 64.42 H new ATOM 0 HG LEU A 59 17.405 -0.524 3.507 1.00 41.03 H new ATOM 0 HD11 LEU A 59 19.386 -1.396 2.344 1.00 63.40 H new ATOM 0 HD12 LEU A 59 19.740 0.111 3.221 1.00 63.40 H new ATOM 0 HD13 LEU A 59 20.262 -1.453 3.892 1.00 63.40 H new ATOM 0 HD21 LEU A 59 17.663 -2.941 3.162 1.00 11.54 H new ATOM 0 HD22 LEU A 59 18.465 -3.077 4.744 1.00 11.54 H new ATOM 0 HD23 LEU A 59 16.761 -2.573 4.651 1.00 11.54 H new ATOM 798 N ASN A 60 17.133 1.344 7.940 1.00 73.04 N ATOM 799 CA ASN A 60 17.423 1.862 9.281 1.00 43.43 C ATOM 800 C ASN A 60 16.302 1.535 10.258 1.00 1.33 C ATOM 801 O ASN A 60 16.554 1.374 11.451 1.00 33.24 O ATOM 802 CB ASN A 60 17.803 3.375 9.360 1.00 71.11 C ATOM 803 CG ASN A 60 16.666 4.360 9.143 1.00 70.34 C ATOM 804 OD1 ASN A 60 16.592 4.909 7.974 1.00 43.04 O flip ATOM 805 ND2 ASN A 60 15.918 4.689 10.073 1.00 50.11 N flip ATOM 0 H ASN A 60 16.798 2.026 7.260 1.00 73.04 H new ATOM 0 HA ASN A 60 18.331 1.335 9.573 1.00 43.43 H new ATOM 0 HB2 ASN A 60 18.243 3.568 10.339 1.00 71.11 H new ATOM 0 HB3 ASN A 60 18.576 3.574 8.618 1.00 71.11 H new ATOM 0 HD21 ASN A 60 16.004 4.235 10.982 1.00 50.11 H new ATOM 0 HD22 ASN A 60 15.215 5.414 9.930 1.00 50.11 H new ATOM 811 N GLN A 61 15.070 1.413 9.756 1.00 33.34 N ATOM 812 CA GLN A 61 13.942 1.081 10.608 1.00 11.44 C ATOM 813 C GLN A 61 13.992 -0.379 11.028 1.00 55.13 C ATOM 814 O GLN A 61 13.826 -0.695 12.208 1.00 52.25 O ATOM 815 CB GLN A 61 12.596 1.381 9.915 1.00 35.31 C ATOM 816 CG GLN A 61 12.337 2.856 9.640 1.00 72.11 C ATOM 817 CD GLN A 61 10.995 3.109 8.964 1.00 11.45 C ATOM 818 OE1 GLN A 61 9.976 3.300 9.623 1.00 22.33 O ATOM 819 NE2 GLN A 61 10.984 3.111 7.653 1.00 12.12 N ATOM 0 H GLN A 61 14.837 1.539 8.771 1.00 33.34 H new ATOM 0 HA GLN A 61 14.015 1.709 11.496 1.00 11.44 H new ATOM 0 HB2 GLN A 61 12.560 0.838 8.971 1.00 35.31 H new ATOM 0 HB3 GLN A 61 11.789 0.994 10.537 1.00 35.31 H new ATOM 0 HG2 GLN A 61 12.374 3.407 10.580 1.00 72.11 H new ATOM 0 HG3 GLN A 61 13.135 3.248 9.009 1.00 72.11 H new ATOM 0 HE21 GLN A 61 11.848 2.949 7.135 1.00 12.12 H new ATOM 0 HE22 GLN A 61 10.112 3.275 7.151 1.00 12.12 H new ATOM 827 N GLN A 62 14.264 -1.252 10.057 1.00 3.22 N ATOM 828 CA GLN A 62 14.251 -2.706 10.252 1.00 63.24 C ATOM 829 C GLN A 62 12.876 -3.179 10.672 1.00 61.53 C ATOM 830 O GLN A 62 12.549 -3.225 11.860 1.00 33.25 O ATOM 831 CB GLN A 62 15.300 -3.220 11.251 1.00 1.55 C ATOM 832 CG GLN A 62 16.745 -3.015 10.855 1.00 32.45 C ATOM 833 CD GLN A 62 17.690 -3.621 11.881 1.00 73.22 C ATOM 834 OE1 GLN A 62 17.355 -4.600 12.544 1.00 32.34 O ATOM 835 NE2 GLN A 62 18.855 -3.060 12.019 1.00 35.40 N ATOM 0 H GLN A 62 14.501 -0.970 9.106 1.00 3.22 H new ATOM 0 HA GLN A 62 14.516 -3.126 9.282 1.00 63.24 H new ATOM 0 HB2 GLN A 62 15.133 -2.728 12.209 1.00 1.55 H new ATOM 0 HB3 GLN A 62 15.134 -4.286 11.407 1.00 1.55 H new ATOM 0 HG2 GLN A 62 16.925 -3.467 9.880 1.00 32.45 H new ATOM 0 HG3 GLN A 62 16.949 -1.949 10.754 1.00 32.45 H new ATOM 0 HE21 GLN A 62 19.101 -2.248 11.452 1.00 35.40 H new ATOM 0 HE22 GLN A 62 19.523 -3.432 12.694 1.00 35.40 H new ATOM 843 N LYS A 63 12.064 -3.470 9.715 1.00 73.14 N ATOM 844 CA LYS A 63 10.753 -3.954 9.974 1.00 21.12 C ATOM 845 C LYS A 63 10.668 -5.429 9.695 1.00 14.01 C ATOM 846 O LYS A 63 11.147 -5.899 8.671 1.00 34.24 O ATOM 847 CB LYS A 63 9.707 -3.156 9.197 1.00 1.43 C ATOM 848 CG LYS A 63 9.569 -1.709 9.662 1.00 13.32 C ATOM 849 CD LYS A 63 9.264 -1.694 11.140 1.00 13.10 C ATOM 850 CE LYS A 63 8.830 -0.337 11.653 1.00 21.13 C ATOM 851 NZ LYS A 63 8.537 -0.394 13.103 1.00 72.01 N ATOM 0 H LYS A 63 12.293 -3.378 8.725 1.00 73.14 H new ATOM 0 HA LYS A 63 10.534 -3.811 11.032 1.00 21.12 H new ATOM 0 HB2 LYS A 63 9.968 -3.165 8.139 1.00 1.43 H new ATOM 0 HB3 LYS A 63 8.741 -3.652 9.291 1.00 1.43 H new ATOM 0 HG2 LYS A 63 10.489 -1.160 9.462 1.00 13.32 H new ATOM 0 HG3 LYS A 63 8.774 -1.210 9.108 1.00 13.32 H new ATOM 0 HD2 LYS A 63 8.479 -2.421 11.348 1.00 13.10 H new ATOM 0 HD3 LYS A 63 10.149 -2.015 11.689 1.00 13.10 H new ATOM 0 HE2 LYS A 63 9.614 0.396 11.464 1.00 21.13 H new ATOM 0 HE3 LYS A 63 7.945 -0.004 11.111 1.00 21.13 H new ATOM 0 HZ1 LYS A 63 7.675 0.151 13.305 1.00 72.01 H new ATOM 0 HZ2 LYS A 63 8.396 -1.384 13.390 1.00 72.01 H new ATOM 0 HZ3 LYS A 63 9.334 0.010 13.634 1.00 72.01 H new ATOM 865 N LYS A 64 10.085 -6.146 10.622 1.00 24.45 N ATOM 866 CA LYS A 64 9.962 -7.581 10.551 1.00 62.40 C ATOM 867 C LYS A 64 8.509 -7.955 10.328 1.00 14.45 C ATOM 868 O LYS A 64 7.648 -7.083 10.371 1.00 23.13 O ATOM 869 CB LYS A 64 10.535 -8.221 11.819 1.00 51.21 C ATOM 870 CG LYS A 64 12.017 -7.919 12.014 1.00 43.41 C ATOM 871 CD LYS A 64 12.542 -8.454 13.330 1.00 61.32 C ATOM 872 CE LYS A 64 14.012 -8.099 13.506 1.00 41.33 C ATOM 873 NZ LYS A 64 14.550 -8.548 14.809 1.00 2.11 N ATOM 0 H LYS A 64 9.675 -5.741 11.464 1.00 24.45 H new ATOM 0 HA LYS A 64 10.538 -7.963 9.708 1.00 62.40 H new ATOM 0 HB2 LYS A 64 9.979 -7.863 12.685 1.00 51.21 H new ATOM 0 HB3 LYS A 64 10.392 -9.301 11.773 1.00 51.21 H new ATOM 0 HG2 LYS A 64 12.586 -8.356 11.193 1.00 43.41 H new ATOM 0 HG3 LYS A 64 12.175 -6.841 11.973 1.00 43.41 H new ATOM 0 HD2 LYS A 64 11.961 -8.040 14.154 1.00 61.32 H new ATOM 0 HD3 LYS A 64 12.417 -9.536 13.364 1.00 61.32 H new ATOM 0 HE2 LYS A 64 14.591 -8.552 12.702 1.00 41.33 H new ATOM 0 HE3 LYS A 64 14.135 -7.020 13.418 1.00 41.33 H new ATOM 0 HZ1 LYS A 64 15.553 -8.283 14.880 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 14.017 -8.096 15.579 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 14.459 -9.581 14.885 1.00 2.11 H new ATOM 887 N SER A 65 8.249 -9.229 10.056 1.00 11.20 N ATOM 888 CA SER A 65 6.915 -9.717 9.700 1.00 73.13 C ATOM 889 C SER A 65 5.802 -9.179 10.612 1.00 32.23 C ATOM 890 O SER A 65 5.889 -9.267 11.849 1.00 14.22 O ATOM 891 CB SER A 65 6.918 -11.248 9.666 1.00 24.15 C ATOM 892 OG SER A 65 7.395 -11.811 10.886 1.00 63.22 O ATOM 0 H SER A 65 8.960 -9.960 10.076 1.00 11.20 H new ATOM 0 HA SER A 65 6.685 -9.331 8.707 1.00 73.13 H new ATOM 0 HB2 SER A 65 5.908 -11.608 9.472 1.00 24.15 H new ATOM 0 HB3 SER A 65 7.542 -11.591 8.841 1.00 24.15 H new ATOM 0 HG SER A 65 7.117 -11.247 11.637 1.00 63.22 H new ATOM 898 N GLY A 66 4.782 -8.593 9.999 1.00 74.31 N ATOM 899 CA GLY A 66 3.668 -8.064 10.753 1.00 24.53 C ATOM 900 C GLY A 66 3.807 -6.581 11.023 1.00 13.03 C ATOM 901 O GLY A 66 2.999 -5.991 11.741 1.00 43.13 O ATOM 0 H GLY A 66 4.709 -8.475 8.988 1.00 74.31 H new ATOM 0 HA2 GLY A 66 2.743 -8.246 10.206 1.00 24.53 H new ATOM 0 HA3 GLY A 66 3.588 -8.597 11.700 1.00 24.53 H new ATOM 905 N GLU A 67 4.829 -5.982 10.461 1.00 22.33 N ATOM 906 CA GLU A 67 5.078 -4.565 10.622 1.00 24.51 C ATOM 907 C GLU A 67 4.978 -3.853 9.300 1.00 61.03 C ATOM 908 O GLU A 67 4.876 -4.484 8.242 1.00 53.15 O ATOM 909 CB GLU A 67 6.452 -4.306 11.226 1.00 13.25 C ATOM 910 CG GLU A 67 6.626 -4.801 12.639 1.00 53.22 C ATOM 911 CD GLU A 67 7.981 -4.462 13.192 1.00 34.34 C ATOM 912 OE1 GLU A 67 8.150 -3.336 13.731 1.00 13.22 O ATOM 913 OE2 GLU A 67 8.904 -5.314 13.103 1.00 12.55 O ATOM 0 H GLU A 67 5.514 -6.462 9.878 1.00 22.33 H new ATOM 0 HA GLU A 67 4.318 -4.180 11.302 1.00 24.51 H new ATOM 0 HB2 GLU A 67 7.205 -4.778 10.595 1.00 13.25 H new ATOM 0 HB3 GLU A 67 6.646 -3.234 11.205 1.00 13.25 H new ATOM 0 HG2 GLU A 67 5.856 -4.363 13.274 1.00 53.22 H new ATOM 0 HG3 GLU A 67 6.484 -5.881 12.665 1.00 53.22 H new ATOM 920 N VAL A 68 5.016 -2.546 9.355 1.00 1.02 N ATOM 921 CA VAL A 68 4.953 -1.742 8.177 1.00 44.14 C ATOM 922 C VAL A 68 6.010 -0.645 8.257 1.00 34.32 C ATOM 923 O VAL A 68 6.224 -0.034 9.321 1.00 22.55 O ATOM 924 CB VAL A 68 3.532 -1.111 7.970 1.00 32.14 C ATOM 925 CG1 VAL A 68 3.182 -0.117 9.072 1.00 51.32 C ATOM 926 CG2 VAL A 68 3.406 -0.461 6.606 1.00 72.33 C ATOM 0 H VAL A 68 5.092 -2.015 10.223 1.00 1.02 H new ATOM 0 HA VAL A 68 5.148 -2.385 7.318 1.00 44.14 H new ATOM 0 HB VAL A 68 2.815 -1.930 8.024 1.00 32.14 H new ATOM 0 HG11 VAL A 68 2.190 0.295 8.888 1.00 51.32 H new ATOM 0 HG12 VAL A 68 3.191 -0.625 10.036 1.00 51.32 H new ATOM 0 HG13 VAL A 68 3.914 0.690 9.080 1.00 51.32 H new ATOM 0 HG21 VAL A 68 2.409 -0.034 6.497 1.00 72.33 H new ATOM 0 HG22 VAL A 68 4.151 0.329 6.509 1.00 72.33 H new ATOM 0 HG23 VAL A 68 3.567 -1.209 5.830 1.00 72.33 H new ATOM 932 N ALA A 69 6.694 -0.434 7.183 1.00 60.54 N ATOM 933 CA ALA A 69 7.639 0.637 7.107 1.00 70.13 C ATOM 934 C ALA A 69 7.005 1.745 6.311 1.00 14.24 C ATOM 935 O ALA A 69 6.442 1.494 5.248 1.00 41.03 O ATOM 936 CB ALA A 69 8.937 0.170 6.470 1.00 31.23 C ATOM 0 H ALA A 69 6.617 -0.995 6.334 1.00 60.54 H new ATOM 0 HA ALA A 69 7.893 0.993 8.105 1.00 70.13 H new ATOM 0 HB1 ALA A 69 9.639 1.002 6.423 1.00 31.23 H new ATOM 0 HB2 ALA A 69 9.367 -0.634 7.067 1.00 31.23 H new ATOM 0 HB3 ALA A 69 8.737 -0.193 5.462 1.00 31.23 H new ATOM 942 N VAL A 70 7.056 2.948 6.815 1.00 70.11 N ATOM 943 CA VAL A 70 6.406 4.047 6.141 1.00 1.31 C ATOM 944 C VAL A 70 7.420 5.113 5.848 1.00 52.45 C ATOM 945 O VAL A 70 8.365 5.324 6.627 1.00 75.22 O ATOM 946 CB VAL A 70 5.258 4.680 6.990 1.00 54.14 C ATOM 947 CG1 VAL A 70 4.439 5.682 6.182 1.00 70.23 C ATOM 948 CG2 VAL A 70 4.374 3.629 7.643 1.00 41.53 C ATOM 0 H VAL A 70 7.535 3.194 7.681 1.00 70.11 H new ATOM 0 HA VAL A 70 5.967 3.649 5.226 1.00 1.31 H new ATOM 0 HB VAL A 70 5.739 5.232 7.798 1.00 54.14 H new ATOM 0 HG11 VAL A 70 3.651 6.099 6.810 1.00 70.23 H new ATOM 0 HG12 VAL A 70 5.088 6.485 5.833 1.00 70.23 H new ATOM 0 HG13 VAL A 70 3.992 5.179 5.325 1.00 70.23 H new ATOM 0 HG21 VAL A 70 3.592 4.120 8.222 1.00 41.53 H new ATOM 0 HG22 VAL A 70 3.919 3.007 6.873 1.00 41.53 H new ATOM 0 HG23 VAL A 70 4.977 3.006 8.304 1.00 41.53 H new ATOM 954 N LEU A 71 7.254 5.753 4.739 1.00 1.14 N ATOM 955 CA LEU A 71 8.094 6.842 4.349 1.00 1.04 C ATOM 956 C LEU A 71 7.205 7.997 3.972 1.00 53.40 C ATOM 957 O LEU A 71 6.198 7.788 3.295 1.00 52.35 O ATOM 958 CB LEU A 71 8.907 6.449 3.116 1.00 75.21 C ATOM 959 CG LEU A 71 9.729 5.172 3.206 1.00 54.02 C ATOM 960 CD1 LEU A 71 10.440 4.931 1.904 1.00 13.45 C ATOM 961 CD2 LEU A 71 10.720 5.243 4.343 1.00 33.21 C ATOM 0 H LEU A 71 6.520 5.533 4.066 1.00 1.14 H new ATOM 0 HA LEU A 71 8.767 7.104 5.166 1.00 1.04 H new ATOM 0 HB2 LEU A 71 8.220 6.351 2.275 1.00 75.21 H new ATOM 0 HB3 LEU A 71 9.583 7.271 2.881 1.00 75.21 H new ATOM 0 HG LEU A 71 9.054 4.340 3.404 1.00 54.02 H new ATOM 0 HD11 LEU A 71 11.027 4.015 1.974 1.00 13.45 H new ATOM 0 HD12 LEU A 71 9.708 4.832 1.103 1.00 13.45 H new ATOM 0 HD13 LEU A 71 11.101 5.771 1.690 1.00 13.45 H new ATOM 0 HD21 LEU A 71 11.294 4.317 4.384 1.00 33.21 H new ATOM 0 HD22 LEU A 71 11.397 6.083 4.184 1.00 33.21 H new ATOM 0 HD23 LEU A 71 10.186 5.381 5.283 1.00 33.21 H new ATOM 969 N LYS A 72 7.518 9.189 4.414 1.00 15.02 N ATOM 970 CA LYS A 72 6.772 10.308 3.945 1.00 32.04 C ATOM 971 C LYS A 72 7.478 10.807 2.717 1.00 71.53 C ATOM 972 O LYS A 72 8.589 11.353 2.795 1.00 33.50 O ATOM 973 CB LYS A 72 6.703 11.410 4.980 1.00 1.02 C ATOM 974 CG LYS A 72 5.850 12.583 4.543 1.00 34.45 C ATOM 975 CD LYS A 72 5.766 13.646 5.609 1.00 71.12 C ATOM 976 CE LYS A 72 4.917 14.802 5.135 1.00 31.44 C ATOM 977 NZ LYS A 72 4.767 15.839 6.168 1.00 43.11 N ATOM 0 H LYS A 72 8.263 9.398 5.078 1.00 15.02 H new ATOM 0 HA LYS A 72 5.745 10.010 3.733 1.00 32.04 H new ATOM 0 HB2 LYS A 72 6.303 11.003 5.909 1.00 1.02 H new ATOM 0 HB3 LYS A 72 7.712 11.762 5.195 1.00 1.02 H new ATOM 0 HG2 LYS A 72 6.265 13.014 3.632 1.00 34.45 H new ATOM 0 HG3 LYS A 72 4.847 12.232 4.301 1.00 34.45 H new ATOM 0 HD2 LYS A 72 5.341 13.224 6.520 1.00 71.12 H new ATOM 0 HD3 LYS A 72 6.766 14.000 5.858 1.00 71.12 H new ATOM 0 HE2 LYS A 72 5.367 15.241 4.244 1.00 31.44 H new ATOM 0 HE3 LYS A 72 3.933 14.434 4.846 1.00 31.44 H new ATOM 0 HZ1 LYS A 72 4.177 16.613 5.800 1.00 43.11 H new ATOM 0 HZ2 LYS A 72 4.314 15.428 7.009 1.00 43.11 H new ATOM 0 HZ3 LYS A 72 5.704 16.210 6.426 1.00 43.11 H new ATOM 991 N ARG A 73 6.861 10.639 1.603 1.00 25.34 N ATOM 992 CA ARG A 73 7.480 10.943 0.332 1.00 52.12 C ATOM 993 C ARG A 73 6.523 11.632 -0.595 1.00 54.03 C ATOM 994 O ARG A 73 5.397 11.199 -0.750 1.00 20.32 O ATOM 995 CB ARG A 73 8.026 9.668 -0.318 1.00 25.14 C ATOM 996 CG ARG A 73 9.160 8.992 0.450 1.00 32.30 C ATOM 997 CD ARG A 73 10.375 9.894 0.525 1.00 63.51 C ATOM 998 NE ARG A 73 11.490 9.286 1.246 1.00 14.33 N ATOM 999 CZ ARG A 73 12.758 9.295 0.810 1.00 50.34 C ATOM 1000 NH1 ARG A 73 13.059 9.843 -0.364 1.00 51.20 N ATOM 1001 NH2 ARG A 73 13.714 8.763 1.550 1.00 43.12 N ATOM 0 H ARG A 73 5.907 10.286 1.531 1.00 25.34 H new ATOM 0 HA ARG A 73 8.309 11.624 0.523 1.00 52.12 H new ATOM 0 HB2 ARG A 73 7.208 8.956 -0.432 1.00 25.14 H new ATOM 0 HB3 ARG A 73 8.379 9.911 -1.320 1.00 25.14 H new ATOM 0 HG2 ARG A 73 8.825 8.742 1.457 1.00 32.30 H new ATOM 0 HG3 ARG A 73 9.427 8.055 -0.038 1.00 32.30 H new ATOM 0 HD2 ARG A 73 10.697 10.147 -0.485 1.00 63.51 H new ATOM 0 HD3 ARG A 73 10.098 10.828 1.014 1.00 63.51 H new ATOM 0 HE ARG A 73 11.292 8.827 2.135 1.00 14.33 H new ATOM 0 HH11 ARG A 73 12.324 10.259 -0.936 1.00 51.20 H new ATOM 0 HH12 ARG A 73 14.025 9.848 -0.692 1.00 51.20 H new ATOM 0 HH21 ARG A 73 13.488 8.346 2.453 1.00 43.12 H new ATOM 0 HH22 ARG A 73 14.679 8.770 1.219 1.00 43.12 H new ATOM 1013 N ASP A 74 6.982 12.726 -1.183 1.00 14.43 N ATOM 1014 CA ASP A 74 6.221 13.531 -2.169 1.00 10.21 C ATOM 1015 C ASP A 74 4.912 14.043 -1.537 1.00 62.22 C ATOM 1016 O ASP A 74 3.951 14.348 -2.211 1.00 40.20 O ATOM 1017 CB ASP A 74 5.947 12.666 -3.448 1.00 73.30 C ATOM 1018 CG ASP A 74 5.349 13.435 -4.631 1.00 61.12 C ATOM 1019 OD1 ASP A 74 6.056 14.291 -5.215 1.00 15.34 O ATOM 1020 OD2 ASP A 74 4.182 13.174 -5.019 1.00 0.33 O ATOM 0 H ASP A 74 7.912 13.100 -0.995 1.00 14.43 H new ATOM 0 HA ASP A 74 6.805 14.402 -2.465 1.00 10.21 H new ATOM 0 HB2 ASP A 74 6.884 12.209 -3.767 1.00 73.30 H new ATOM 0 HB3 ASP A 74 5.270 11.854 -3.182 1.00 73.30 H new ATOM 1025 N GLY A 75 4.944 14.226 -0.223 1.00 41.31 N ATOM 1026 CA GLY A 75 3.787 14.726 0.491 1.00 3.02 C ATOM 1027 C GLY A 75 2.768 13.645 0.832 1.00 12.34 C ATOM 1028 O GLY A 75 1.724 13.941 1.418 1.00 53.32 O ATOM 0 H GLY A 75 5.757 14.035 0.363 1.00 41.31 H new ATOM 0 HA2 GLY A 75 4.118 15.206 1.412 1.00 3.02 H new ATOM 0 HA3 GLY A 75 3.302 15.494 -0.112 1.00 3.02 H new ATOM 1032 N ARG A 76 3.055 12.407 0.477 1.00 33.31 N ATOM 1033 CA ARG A 76 2.155 11.314 0.755 1.00 73.30 C ATOM 1034 C ARG A 76 2.898 10.280 1.581 1.00 33.51 C ATOM 1035 O ARG A 76 4.110 10.405 1.800 1.00 55.11 O ATOM 1036 CB ARG A 76 1.682 10.681 -0.558 1.00 53.20 C ATOM 1037 CG ARG A 76 2.744 9.858 -1.263 1.00 70.13 C ATOM 1038 CD ARG A 76 2.333 9.467 -2.652 1.00 42.04 C ATOM 1039 NE ARG A 76 2.386 10.600 -3.579 1.00 11.22 N ATOM 1040 CZ ARG A 76 1.820 10.635 -4.785 1.00 2.53 C ATOM 1041 NH1 ARG A 76 0.950 9.695 -5.154 1.00 2.45 N ATOM 1042 NH2 ARG A 76 2.096 11.636 -5.605 1.00 71.35 N ATOM 0 H ARG A 76 3.911 12.136 -0.007 1.00 33.31 H new ATOM 0 HA ARG A 76 1.285 11.678 1.301 1.00 73.30 H new ATOM 0 HB2 ARG A 76 0.820 10.045 -0.354 1.00 53.20 H new ATOM 0 HB3 ARG A 76 1.344 11.470 -1.229 1.00 53.20 H new ATOM 0 HG2 ARG A 76 3.672 10.428 -1.308 1.00 70.13 H new ATOM 0 HG3 ARG A 76 2.950 8.960 -0.681 1.00 70.13 H new ATOM 0 HD2 ARG A 76 2.986 8.672 -3.013 1.00 42.04 H new ATOM 0 HD3 ARG A 76 1.321 9.063 -2.630 1.00 42.04 H new ATOM 0 HE ARG A 76 2.897 11.429 -3.277 1.00 11.22 H new ATOM 0 HH11 ARG A 76 0.712 8.940 -4.511 1.00 2.45 H new ATOM 0 HH12 ARG A 76 0.522 9.731 -6.079 1.00 2.45 H new ATOM 0 HH21 ARG A 76 2.738 12.373 -5.312 1.00 71.35 H new ATOM 0 HH22 ARG A 76 1.667 11.671 -6.530 1.00 71.35 H new ATOM 1054 N TYR A 77 2.207 9.287 2.047 1.00 22.44 N ATOM 1055 CA TYR A 77 2.847 8.236 2.782 1.00 12.52 C ATOM 1056 C TYR A 77 3.054 7.006 1.949 1.00 42.35 C ATOM 1057 O TYR A 77 2.263 6.708 1.065 1.00 42.13 O ATOM 1058 CB TYR A 77 2.144 7.964 4.096 1.00 3.02 C ATOM 1059 CG TYR A 77 2.426 9.053 5.082 1.00 13.43 C ATOM 1060 CD1 TYR A 77 3.640 9.079 5.714 1.00 4.32 C ATOM 1061 CD2 TYR A 77 1.518 10.061 5.356 1.00 13.13 C ATOM 1062 CE1 TYR A 77 3.965 10.054 6.593 1.00 63.32 C ATOM 1063 CE2 TYR A 77 1.836 11.071 6.251 1.00 54.11 C ATOM 1064 CZ TYR A 77 3.069 11.060 6.868 1.00 24.43 C ATOM 1065 OH TYR A 77 3.413 12.055 7.762 1.00 12.21 O ATOM 0 H TYR A 77 1.199 9.180 1.933 1.00 22.44 H new ATOM 0 HA TYR A 77 3.848 8.581 3.042 1.00 12.52 H new ATOM 0 HB2 TYR A 77 1.070 7.886 3.930 1.00 3.02 H new ATOM 0 HB3 TYR A 77 2.474 7.007 4.500 1.00 3.02 H new ATOM 0 HD1 TYR A 77 4.358 8.300 5.505 1.00 4.32 H new ATOM 0 HD2 TYR A 77 0.554 10.061 4.869 1.00 13.13 H new ATOM 0 HE1 TYR A 77 4.929 10.042 7.079 1.00 63.32 H new ATOM 0 HE2 TYR A 77 1.126 11.857 6.462 1.00 54.11 H new ATOM 0 HH TYR A 77 2.672 12.690 7.845 1.00 12.21 H new ATOM 1075 N ILE A 78 4.136 6.315 2.201 1.00 43.30 N ATOM 1076 CA ILE A 78 4.475 5.144 1.430 1.00 53.33 C ATOM 1077 C ILE A 78 4.535 3.977 2.379 1.00 54.13 C ATOM 1078 O ILE A 78 5.317 3.998 3.328 1.00 24.03 O ATOM 1079 CB ILE A 78 5.862 5.287 0.725 1.00 21.14 C ATOM 1080 CG1 ILE A 78 5.965 6.609 -0.066 1.00 5.52 C ATOM 1081 CG2 ILE A 78 6.103 4.104 -0.212 1.00 62.54 C ATOM 1082 CD1 ILE A 78 4.959 6.763 -1.186 1.00 40.21 C ATOM 0 H ILE A 78 4.802 6.544 2.939 1.00 43.30 H new ATOM 0 HA ILE A 78 3.722 5.005 0.654 1.00 53.33 H new ATOM 0 HB ILE A 78 6.626 5.298 1.502 1.00 21.14 H new ATOM 0 HG12 ILE A 78 5.844 7.441 0.628 1.00 5.52 H new ATOM 0 HG13 ILE A 78 6.968 6.687 -0.485 1.00 5.52 H new ATOM 0 HG21 ILE A 78 7.073 4.216 -0.697 1.00 62.54 H new ATOM 0 HG22 ILE A 78 6.089 3.177 0.361 1.00 62.54 H new ATOM 0 HG23 ILE A 78 5.320 4.074 -0.969 1.00 62.54 H new ATOM 0 HD11 ILE A 78 5.111 7.722 -1.682 1.00 40.21 H new ATOM 0 HD12 ILE A 78 5.091 5.956 -1.907 1.00 40.21 H new ATOM 0 HD13 ILE A 78 3.950 6.722 -0.777 1.00 40.21 H new ATOM 1089 N TYR A 79 3.721 2.990 2.146 1.00 24.42 N ATOM 1090 CA TYR A 79 3.631 1.862 3.039 1.00 30.32 C ATOM 1091 C TYR A 79 4.280 0.620 2.466 1.00 13.41 C ATOM 1092 O TYR A 79 4.051 0.251 1.301 1.00 32.22 O ATOM 1093 CB TYR A 79 2.180 1.575 3.400 1.00 44.35 C ATOM 1094 CG TYR A 79 1.486 2.716 4.104 1.00 23.25 C ATOM 1095 CD1 TYR A 79 1.574 2.850 5.475 1.00 42.40 C ATOM 1096 CD2 TYR A 79 0.744 3.656 3.398 1.00 71.23 C ATOM 1097 CE1 TYR A 79 0.951 3.881 6.129 1.00 3.42 C ATOM 1098 CE2 TYR A 79 0.115 4.696 4.047 1.00 75.23 C ATOM 1099 CZ TYR A 79 0.222 4.802 5.416 1.00 42.13 C ATOM 1100 OH TYR A 79 -0.401 5.839 6.084 1.00 52.33 O ATOM 0 H TYR A 79 3.102 2.939 1.337 1.00 24.42 H new ATOM 0 HA TYR A 79 4.179 2.131 3.942 1.00 30.32 H new ATOM 0 HB2 TYR A 79 1.630 1.335 2.490 1.00 44.35 H new ATOM 0 HB3 TYR A 79 2.143 0.692 4.037 1.00 44.35 H new ATOM 0 HD1 TYR A 79 2.144 2.129 6.043 1.00 42.40 H new ATOM 0 HD2 TYR A 79 0.659 3.570 2.325 1.00 71.23 H new ATOM 0 HE1 TYR A 79 1.033 3.969 7.202 1.00 3.42 H new ATOM 0 HE2 TYR A 79 -0.457 5.421 3.487 1.00 75.23 H new ATOM 0 HH TYR A 79 -1.373 5.749 5.994 1.00 52.33 H new ATOM 1110 N TYR A 80 5.103 0.005 3.268 1.00 72.33 N ATOM 1111 CA TYR A 80 5.761 -1.234 2.936 1.00 33.14 C ATOM 1112 C TYR A 80 5.309 -2.305 3.908 1.00 74.40 C ATOM 1113 O TYR A 80 5.712 -2.288 5.076 1.00 32.14 O ATOM 1114 CB TYR A 80 7.288 -1.082 3.022 1.00 33.30 C ATOM 1115 CG TYR A 80 7.883 -0.101 2.034 1.00 32.35 C ATOM 1116 CD1 TYR A 80 7.844 1.263 2.261 1.00 3.34 C ATOM 1117 CD2 TYR A 80 8.486 -0.548 0.876 1.00 61.21 C ATOM 1118 CE1 TYR A 80 8.383 2.143 1.355 1.00 61.41 C ATOM 1119 CE2 TYR A 80 9.027 0.320 -0.027 1.00 55.41 C ATOM 1120 CZ TYR A 80 8.972 1.665 0.211 1.00 42.44 C ATOM 1121 OH TYR A 80 9.500 2.538 -0.705 1.00 21.22 O ATOM 0 H TYR A 80 5.343 0.358 4.195 1.00 72.33 H new ATOM 0 HA TYR A 80 5.498 -1.511 1.915 1.00 33.14 H new ATOM 0 HB2 TYR A 80 7.552 -0.765 4.031 1.00 33.30 H new ATOM 0 HB3 TYR A 80 7.746 -2.058 2.864 1.00 33.30 H new ATOM 0 HD1 TYR A 80 7.384 1.641 3.162 1.00 3.34 H new ATOM 0 HD2 TYR A 80 8.531 -1.609 0.680 1.00 61.21 H new ATOM 0 HE1 TYR A 80 8.344 3.206 1.542 1.00 61.41 H new ATOM 0 HE2 TYR A 80 9.496 -0.054 -0.925 1.00 55.41 H new ATOM 0 HH TYR A 80 9.879 2.035 -1.456 1.00 21.22 H new ATOM 1131 N LEU A 81 4.447 -3.190 3.451 1.00 55.24 N ATOM 1132 CA LEU A 81 3.963 -4.289 4.278 1.00 74.11 C ATOM 1133 C LEU A 81 5.038 -5.355 4.348 1.00 55.34 C ATOM 1134 O LEU A 81 5.588 -5.748 3.311 1.00 24.54 O ATOM 1135 CB LEU A 81 2.681 -4.889 3.676 1.00 45.51 C ATOM 1136 CG LEU A 81 1.482 -3.944 3.525 1.00 71.51 C ATOM 1137 CD1 LEU A 81 0.351 -4.655 2.814 1.00 12.03 C ATOM 1138 CD2 LEU A 81 1.001 -3.455 4.882 1.00 71.53 C ATOM 0 H LEU A 81 4.062 -3.174 2.507 1.00 55.24 H new ATOM 0 HA LEU A 81 3.735 -3.917 5.277 1.00 74.11 H new ATOM 0 HB2 LEU A 81 2.923 -5.291 2.692 1.00 45.51 H new ATOM 0 HB3 LEU A 81 2.375 -5.730 4.298 1.00 45.51 H new ATOM 0 HG LEU A 81 1.800 -3.083 2.938 1.00 71.51 H new ATOM 0 HD11 LEU A 81 -0.497 -3.978 2.711 1.00 12.03 H new ATOM 0 HD12 LEU A 81 0.685 -4.972 1.826 1.00 12.03 H new ATOM 0 HD13 LEU A 81 0.049 -5.528 3.393 1.00 12.03 H new ATOM 0 HD21 LEU A 81 0.150 -2.787 4.747 1.00 71.53 H new ATOM 0 HD22 LEU A 81 0.700 -4.308 5.490 1.00 71.53 H new ATOM 0 HD23 LEU A 81 1.808 -2.919 5.383 1.00 71.53 H new ATOM 1146 N ILE A 82 5.353 -5.808 5.545 1.00 32.01 N ATOM 1147 CA ILE A 82 6.393 -6.789 5.722 1.00 43.31 C ATOM 1148 C ILE A 82 5.805 -8.194 5.919 1.00 71.15 C ATOM 1149 O ILE A 82 5.153 -8.492 6.938 1.00 13.34 O ATOM 1150 CB ILE A 82 7.325 -6.431 6.895 1.00 51.31 C ATOM 1151 CG1 ILE A 82 7.933 -5.025 6.704 1.00 54.11 C ATOM 1152 CG2 ILE A 82 8.421 -7.464 7.015 1.00 32.34 C ATOM 1153 CD1 ILE A 82 8.758 -4.844 5.437 1.00 53.41 C ATOM 0 H ILE A 82 4.900 -5.509 6.408 1.00 32.01 H new ATOM 0 HA ILE A 82 6.988 -6.787 4.809 1.00 43.31 H new ATOM 0 HB ILE A 82 6.739 -6.425 7.814 1.00 51.31 H new ATOM 0 HG12 ILE A 82 7.124 -4.294 6.700 1.00 54.11 H new ATOM 0 HG13 ILE A 82 8.563 -4.799 7.564 1.00 54.11 H new ATOM 0 HG21 ILE A 82 9.076 -7.204 7.846 1.00 32.34 H new ATOM 0 HG22 ILE A 82 7.979 -8.444 7.194 1.00 32.34 H new ATOM 0 HG23 ILE A 82 9.000 -7.490 6.092 1.00 32.34 H new ATOM 0 HD11 ILE A 82 9.141 -3.824 5.395 1.00 53.41 H new ATOM 0 HD12 ILE A 82 9.593 -5.545 5.443 1.00 53.41 H new ATOM 0 HD13 ILE A 82 8.132 -5.033 4.565 1.00 53.41 H new ATOM 1160 N THR A 83 6.061 -9.039 4.953 1.00 51.13 N ATOM 1161 CA THR A 83 5.525 -10.378 4.896 1.00 12.31 C ATOM 1162 C THR A 83 6.383 -11.454 5.613 1.00 50.22 C ATOM 1163 O THR A 83 6.040 -11.915 6.712 1.00 74.41 O ATOM 1164 CB THR A 83 5.329 -10.746 3.432 1.00 1.14 C ATOM 1165 OG1 THR A 83 6.539 -10.420 2.707 1.00 54.51 O ATOM 1166 CG2 THR A 83 4.151 -9.991 2.854 1.00 4.35 C ATOM 0 H THR A 83 6.664 -8.810 4.163 1.00 51.13 H new ATOM 0 HA THR A 83 4.582 -10.369 5.442 1.00 12.31 H new ATOM 0 HB THR A 83 5.123 -11.813 3.345 1.00 1.14 H new ATOM 0 HG1 THR A 83 6.506 -9.484 2.419 1.00 54.51 H new ATOM 0 HG21 THR A 83 4.022 -10.264 1.807 1.00 4.35 H new ATOM 0 HG22 THR A 83 3.248 -10.246 3.409 1.00 4.35 H new ATOM 0 HG23 THR A 83 4.333 -8.919 2.930 1.00 4.35 H new ATOM 1172 N LYS A 84 7.463 -11.856 4.975 1.00 44.24 N ATOM 1173 CA LYS A 84 8.393 -12.861 5.496 1.00 71.41 C ATOM 1174 C LYS A 84 9.806 -12.384 5.312 1.00 13.52 C ATOM 1175 O LYS A 84 10.026 -11.411 4.584 1.00 51.14 O ATOM 1176 CB LYS A 84 8.201 -14.220 4.799 1.00 21.24 C ATOM 1177 CG LYS A 84 6.948 -14.989 5.199 1.00 31.40 C ATOM 1178 CD LYS A 84 7.019 -15.425 6.661 1.00 41.22 C ATOM 1179 CE LYS A 84 5.833 -16.284 7.056 1.00 62.20 C ATOM 1180 NZ LYS A 84 5.943 -16.760 8.457 1.00 21.41 N ATOM 0 H LYS A 84 7.732 -11.492 4.061 1.00 44.24 H new ATOM 0 HA LYS A 84 8.187 -12.998 6.557 1.00 71.41 H new ATOM 0 HB2 LYS A 84 8.178 -14.056 3.722 1.00 21.24 H new ATOM 0 HB3 LYS A 84 9.071 -14.842 5.008 1.00 21.24 H new ATOM 0 HG2 LYS A 84 6.068 -14.364 5.044 1.00 31.40 H new ATOM 0 HG3 LYS A 84 6.834 -15.864 4.560 1.00 31.40 H new ATOM 0 HD2 LYS A 84 7.941 -15.981 6.829 1.00 41.22 H new ATOM 0 HD3 LYS A 84 7.057 -14.543 7.301 1.00 41.22 H new ATOM 0 HE2 LYS A 84 4.913 -15.711 6.937 1.00 62.20 H new ATOM 0 HE3 LYS A 84 5.764 -17.140 6.385 1.00 62.20 H new ATOM 0 HZ1 LYS A 84 5.115 -17.344 8.691 1.00 21.41 H new ATOM 0 HZ2 LYS A 84 6.808 -17.327 8.564 1.00 21.41 H new ATOM 0 HZ3 LYS A 84 5.983 -15.943 9.099 1.00 21.41 H new ATOM 1194 N LYS A 85 10.761 -13.084 5.939 1.00 11.34 N ATOM 1195 CA LYS A 85 12.168 -12.701 5.919 1.00 51.23 C ATOM 1196 C LYS A 85 12.701 -12.586 4.500 1.00 73.22 C ATOM 1197 O LYS A 85 13.315 -11.601 4.155 1.00 4.13 O ATOM 1198 CB LYS A 85 13.014 -13.689 6.729 1.00 12.25 C ATOM 1199 CG LYS A 85 14.489 -13.306 6.815 1.00 4.25 C ATOM 1200 CD LYS A 85 15.282 -14.268 7.686 1.00 63.20 C ATOM 1201 CE LYS A 85 14.786 -14.272 9.121 1.00 64.43 C ATOM 1202 NZ LYS A 85 15.571 -15.184 9.970 1.00 74.42 N ATOM 0 H LYS A 85 10.573 -13.932 6.474 1.00 11.34 H new ATOM 0 HA LYS A 85 12.241 -11.717 6.382 1.00 51.23 H new ATOM 0 HB2 LYS A 85 12.607 -13.761 7.738 1.00 12.25 H new ATOM 0 HB3 LYS A 85 12.930 -14.679 6.280 1.00 12.25 H new ATOM 0 HG2 LYS A 85 14.917 -13.289 5.813 1.00 4.25 H new ATOM 0 HG3 LYS A 85 14.578 -12.297 7.217 1.00 4.25 H new ATOM 0 HD2 LYS A 85 15.210 -15.275 7.274 1.00 63.20 H new ATOM 0 HD3 LYS A 85 16.336 -13.991 7.667 1.00 63.20 H new ATOM 0 HE2 LYS A 85 14.840 -13.262 9.527 1.00 64.43 H new ATOM 0 HE3 LYS A 85 13.737 -14.569 9.142 1.00 64.43 H new ATOM 0 HZ1 LYS A 85 15.201 -15.158 10.942 1.00 74.42 H new ATOM 0 HZ2 LYS A 85 15.499 -16.153 9.598 1.00 74.42 H new ATOM 0 HZ3 LYS A 85 16.567 -14.886 9.971 1.00 74.42 H new ATOM 1216 N ARG A 86 12.436 -13.577 3.670 1.00 31.34 N ATOM 1217 CA ARG A 86 12.866 -13.517 2.285 1.00 64.41 C ATOM 1218 C ARG A 86 11.731 -13.883 1.361 1.00 42.31 C ATOM 1219 O ARG A 86 10.829 -14.618 1.750 1.00 15.04 O ATOM 1220 CB ARG A 86 14.132 -14.359 1.994 1.00 41.24 C ATOM 1221 CG ARG A 86 15.367 -13.900 2.759 1.00 4.53 C ATOM 1222 CD ARG A 86 16.663 -14.442 2.161 1.00 33.34 C ATOM 1223 NE ARG A 86 16.754 -15.908 2.155 1.00 63.10 N ATOM 1224 CZ ARG A 86 17.740 -16.596 1.545 1.00 12.21 C ATOM 1225 NH1 ARG A 86 18.724 -15.949 0.927 1.00 43.34 N ATOM 1226 NH2 ARG A 86 17.747 -17.917 1.572 1.00 1.41 N ATOM 0 H ARG A 86 11.930 -14.425 3.926 1.00 31.34 H new ATOM 0 HA ARG A 86 13.154 -12.483 2.093 1.00 64.41 H new ATOM 0 HB2 ARG A 86 13.929 -15.401 2.243 1.00 41.24 H new ATOM 0 HB3 ARG A 86 14.344 -14.322 0.925 1.00 41.24 H new ATOM 0 HG2 ARG A 86 15.402 -12.811 2.765 1.00 4.53 H new ATOM 0 HG3 ARG A 86 15.287 -14.222 3.797 1.00 4.53 H new ATOM 0 HD2 ARG A 86 16.758 -14.079 1.138 1.00 33.34 H new ATOM 0 HD3 ARG A 86 17.506 -14.039 2.722 1.00 33.34 H new ATOM 0 HE ARG A 86 16.029 -16.436 2.641 1.00 63.10 H new ATOM 0 HH11 ARG A 86 18.734 -14.929 0.914 1.00 43.34 H new ATOM 0 HH12 ARG A 86 19.468 -16.473 0.467 1.00 43.34 H new ATOM 0 HH21 ARG A 86 17.004 -18.421 2.056 1.00 1.41 H new ATOM 0 HH22 ARG A 86 18.495 -18.433 1.109 1.00 1.41 H new ATOM 1238 N ALA A 87 11.794 -13.373 0.134 1.00 64.41 N ATOM 1239 CA ALA A 87 10.755 -13.568 -0.886 1.00 30.13 C ATOM 1240 C ALA A 87 10.667 -15.013 -1.325 1.00 22.42 C ATOM 1241 O ALA A 87 9.684 -15.433 -1.917 1.00 13.32 O ATOM 1242 CB ALA A 87 10.981 -12.652 -2.076 1.00 34.24 C ATOM 0 H ALA A 87 12.577 -12.804 -0.189 1.00 64.41 H new ATOM 0 HA ALA A 87 9.800 -13.305 -0.432 1.00 30.13 H new ATOM 0 HB1 ALA A 87 10.198 -12.817 -2.816 1.00 34.24 H new ATOM 0 HB2 ALA A 87 10.955 -11.614 -1.746 1.00 34.24 H new ATOM 0 HB3 ALA A 87 11.952 -12.867 -2.522 1.00 34.24 H new ATOM 1248 N SER A 88 11.715 -15.761 -1.061 1.00 11.22 N ATOM 1249 CA SER A 88 11.754 -17.170 -1.366 1.00 45.15 C ATOM 1250 C SER A 88 10.895 -17.984 -0.373 1.00 64.13 C ATOM 1251 O SER A 88 10.799 -19.210 -0.463 1.00 13.31 O ATOM 1252 CB SER A 88 13.198 -17.629 -1.362 1.00 21.24 C ATOM 1253 OG SER A 88 13.854 -17.226 -0.159 1.00 43.23 O ATOM 0 H SER A 88 12.567 -15.406 -0.627 1.00 11.22 H new ATOM 0 HA SER A 88 11.327 -17.340 -2.355 1.00 45.15 H new ATOM 0 HB2 SER A 88 13.240 -18.714 -1.459 1.00 21.24 H new ATOM 0 HB3 SER A 88 13.720 -17.212 -2.223 1.00 21.24 H new ATOM 0 HG SER A 88 14.784 -17.533 -0.175 1.00 43.23 H new ATOM 1259 N HIS A 89 10.289 -17.284 0.567 1.00 33.23 N ATOM 1260 CA HIS A 89 9.403 -17.871 1.550 1.00 41.22 C ATOM 1261 C HIS A 89 8.020 -17.349 1.207 1.00 33.04 C ATOM 1262 O HIS A 89 7.916 -16.263 0.633 1.00 23.55 O ATOM 1263 CB HIS A 89 9.778 -17.396 2.982 1.00 63.04 C ATOM 1264 CG HIS A 89 11.218 -17.627 3.409 1.00 45.04 C ATOM 1265 ND1 HIS A 89 11.715 -17.197 4.618 1.00 43.31 N ATOM 1266 CD2 HIS A 89 12.264 -18.212 2.773 1.00 40.23 C ATOM 1267 CE1 HIS A 89 12.993 -17.497 4.706 1.00 64.44 C ATOM 1268 NE2 HIS A 89 13.353 -18.119 3.601 1.00 44.20 N ATOM 0 H HIS A 89 10.401 -16.275 0.669 1.00 33.23 H new ATOM 0 HA HIS A 89 9.463 -18.959 1.533 1.00 41.22 H new ATOM 0 HB2 HIS A 89 9.565 -16.329 3.056 1.00 63.04 H new ATOM 0 HB3 HIS A 89 9.124 -17.901 3.693 1.00 63.04 H new ATOM 0 HD2 HIS A 89 12.243 -18.667 1.794 1.00 40.23 H new ATOM 0 HE1 HIS A 89 13.638 -17.272 5.542 1.00 64.44 H new ATOM 0 HE2 HIS A 89 14.287 -18.473 3.396 1.00 44.20 H new ATOM 1277 N LYS A 90 6.974 -18.079 1.508 1.00 14.02 N ATOM 1278 CA LYS A 90 5.648 -17.586 1.167 1.00 35.15 C ATOM 1279 C LYS A 90 5.046 -16.742 2.288 1.00 60.41 C ATOM 1280 O LYS A 90 5.043 -17.154 3.468 1.00 64.11 O ATOM 1281 CB LYS A 90 4.663 -18.700 0.760 1.00 11.20 C ATOM 1282 CG LYS A 90 4.390 -19.741 1.825 1.00 74.40 C ATOM 1283 CD LYS A 90 3.273 -20.670 1.402 1.00 75.13 C ATOM 1284 CE LYS A 90 3.005 -21.719 2.457 1.00 32.05 C ATOM 1285 NZ LYS A 90 1.833 -22.548 2.125 1.00 14.03 N ATOM 0 H LYS A 90 7.002 -18.987 1.972 1.00 14.02 H new ATOM 0 HA LYS A 90 5.799 -16.954 0.292 1.00 35.15 H new ATOM 0 HB2 LYS A 90 3.717 -18.240 0.474 1.00 11.20 H new ATOM 0 HB3 LYS A 90 5.054 -19.203 -0.125 1.00 11.20 H new ATOM 0 HG2 LYS A 90 5.295 -20.318 2.015 1.00 74.40 H new ATOM 0 HG3 LYS A 90 4.124 -19.248 2.760 1.00 74.40 H new ATOM 0 HD2 LYS A 90 2.366 -20.093 1.220 1.00 75.13 H new ATOM 0 HD3 LYS A 90 3.536 -21.155 0.462 1.00 75.13 H new ATOM 0 HE2 LYS A 90 3.882 -22.357 2.565 1.00 32.05 H new ATOM 0 HE3 LYS A 90 2.844 -21.233 3.419 1.00 32.05 H new ATOM 0 HZ1 LYS A 90 1.684 -23.254 2.874 1.00 14.03 H new ATOM 0 HZ2 LYS A 90 0.991 -21.943 2.047 1.00 14.03 H new ATOM 0 HZ3 LYS A 90 1.996 -23.033 1.219 1.00 14.03 H new ATOM 1299 N PRO A 91 4.577 -15.533 1.949 1.00 31.23 N ATOM 1300 CA PRO A 91 3.851 -14.675 2.878 1.00 65.33 C ATOM 1301 C PRO A 91 2.624 -15.376 3.437 1.00 64.24 C ATOM 1302 O PRO A 91 1.954 -16.138 2.737 1.00 3.40 O ATOM 1303 CB PRO A 91 3.397 -13.506 2.000 1.00 31.32 C ATOM 1304 CG PRO A 91 4.378 -13.463 0.897 1.00 24.32 C ATOM 1305 CD PRO A 91 4.759 -14.887 0.635 1.00 11.23 C ATOM 0 HA PRO A 91 4.465 -14.385 3.731 1.00 65.33 H new ATOM 0 HB2 PRO A 91 2.386 -13.662 1.625 1.00 31.32 H new ATOM 0 HB3 PRO A 91 3.389 -12.570 2.559 1.00 31.32 H new ATOM 0 HG2 PRO A 91 3.947 -13.004 0.008 1.00 24.32 H new ATOM 0 HG3 PRO A 91 5.250 -12.869 1.172 1.00 24.32 H new ATOM 0 HD2 PRO A 91 4.125 -15.340 -0.127 1.00 11.23 H new ATOM 0 HD3 PRO A 91 5.788 -14.970 0.284 1.00 11.23 H new ATOM 1313 N THR A 92 2.350 -15.152 4.683 1.00 65.24 N ATOM 1314 CA THR A 92 1.210 -15.684 5.294 1.00 33.35 C ATOM 1315 C THR A 92 0.185 -14.584 5.502 1.00 42.33 C ATOM 1316 O THR A 92 0.545 -13.396 5.595 1.00 44.33 O ATOM 1317 CB THR A 92 1.611 -16.276 6.634 1.00 61.23 C ATOM 1318 OG1 THR A 92 2.452 -15.327 7.336 1.00 1.02 O ATOM 1319 CG2 THR A 92 2.337 -17.604 6.462 1.00 74.11 C ATOM 0 H THR A 92 2.931 -14.584 5.300 1.00 65.24 H new ATOM 0 HA THR A 92 0.773 -16.458 4.664 1.00 33.35 H new ATOM 0 HB THR A 92 0.710 -16.472 7.215 1.00 61.23 H new ATOM 0 HG1 THR A 92 2.714 -15.701 8.203 1.00 1.02 H new ATOM 0 HG21 THR A 92 2.609 -17.999 7.441 1.00 74.11 H new ATOM 0 HG22 THR A 92 1.683 -18.313 5.953 1.00 74.11 H new ATOM 0 HG23 THR A 92 3.239 -17.452 5.869 1.00 74.11 H new ATOM 1325 N TYR A 93 -1.068 -14.964 5.594 1.00 73.25 N ATOM 1326 CA TYR A 93 -2.143 -14.013 5.809 1.00 61.31 C ATOM 1327 C TYR A 93 -2.064 -13.406 7.199 1.00 71.43 C ATOM 1328 O TYR A 93 -2.452 -12.257 7.402 1.00 10.45 O ATOM 1329 CB TYR A 93 -3.516 -14.639 5.532 1.00 34.31 C ATOM 1330 CG TYR A 93 -3.712 -15.030 4.085 1.00 25.34 C ATOM 1331 CD1 TYR A 93 -4.050 -14.077 3.135 1.00 41.32 C ATOM 1332 CD2 TYR A 93 -3.545 -16.341 3.663 1.00 61.23 C ATOM 1333 CE1 TYR A 93 -4.221 -14.417 1.814 1.00 11.30 C ATOM 1334 CE2 TYR A 93 -3.713 -16.691 2.336 1.00 63.41 C ATOM 1335 CZ TYR A 93 -4.051 -15.723 1.418 1.00 51.51 C ATOM 1336 OH TYR A 93 -4.219 -16.062 0.096 1.00 11.11 O ATOM 0 H TYR A 93 -1.374 -15.934 5.523 1.00 73.25 H new ATOM 0 HA TYR A 93 -2.018 -13.202 5.092 1.00 61.31 H new ATOM 0 HB2 TYR A 93 -3.639 -15.522 6.160 1.00 34.31 H new ATOM 0 HB3 TYR A 93 -4.295 -13.932 5.819 1.00 34.31 H new ATOM 0 HD1 TYR A 93 -4.181 -13.049 3.439 1.00 41.32 H new ATOM 0 HD2 TYR A 93 -3.279 -17.101 4.383 1.00 61.23 H new ATOM 0 HE1 TYR A 93 -4.488 -13.661 1.090 1.00 11.30 H new ATOM 0 HE2 TYR A 93 -3.580 -17.716 2.022 1.00 63.41 H new ATOM 0 HH TYR A 93 -4.490 -17.002 0.031 1.00 11.11 H new ATOM 1346 N GLU A 94 -1.545 -14.189 8.146 1.00 15.43 N ATOM 1347 CA GLU A 94 -1.350 -13.753 9.540 1.00 75.32 C ATOM 1348 C GLU A 94 -0.574 -12.435 9.593 1.00 21.45 C ATOM 1349 O GLU A 94 -1.016 -11.456 10.206 1.00 61.15 O ATOM 1350 CB GLU A 94 -0.506 -14.791 10.267 1.00 41.41 C ATOM 1351 CG GLU A 94 -1.087 -16.178 10.307 1.00 10.11 C ATOM 1352 CD GLU A 94 -0.096 -17.172 10.844 1.00 32.33 C ATOM 1353 OE1 GLU A 94 0.695 -17.710 10.044 1.00 51.12 O ATOM 1354 OE2 GLU A 94 -0.079 -17.429 12.056 1.00 12.30 O ATOM 0 H GLU A 94 -1.245 -15.148 7.972 1.00 15.43 H new ATOM 0 HA GLU A 94 -2.331 -13.630 9.998 1.00 75.32 H new ATOM 0 HB2 GLU A 94 0.473 -14.838 9.790 1.00 41.41 H new ATOM 0 HB3 GLU A 94 -0.345 -14.452 11.291 1.00 41.41 H new ATOM 0 HG2 GLU A 94 -1.982 -16.182 10.929 1.00 10.11 H new ATOM 0 HG3 GLU A 94 -1.395 -16.474 9.304 1.00 10.11 H new ATOM 1361 N ASN A 95 0.560 -12.409 8.912 1.00 11.42 N ATOM 1362 CA ASN A 95 1.425 -11.241 8.921 1.00 1.20 C ATOM 1363 C ASN A 95 0.873 -10.150 8.064 1.00 53.23 C ATOM 1364 O ASN A 95 1.079 -8.968 8.342 1.00 14.10 O ATOM 1365 CB ASN A 95 2.860 -11.583 8.514 1.00 5.21 C ATOM 1366 CG ASN A 95 3.526 -12.529 9.488 1.00 21.02 C ATOM 1367 OD1 ASN A 95 3.203 -12.553 10.667 1.00 31.55 O ATOM 1368 ND2 ASN A 95 4.474 -13.296 9.012 1.00 24.23 N ATOM 0 H ASN A 95 0.903 -13.185 8.345 1.00 11.42 H new ATOM 0 HA ASN A 95 1.458 -10.881 9.949 1.00 1.20 H new ATOM 0 HB2 ASN A 95 2.856 -12.032 7.521 1.00 5.21 H new ATOM 0 HB3 ASN A 95 3.444 -10.665 8.446 1.00 5.21 H new ATOM 0 HD21 ASN A 95 4.968 -13.939 9.630 1.00 24.23 H new ATOM 0 HD22 ASN A 95 4.718 -13.251 8.023 1.00 24.23 H new ATOM 1374 N LEU A 96 0.159 -10.535 7.027 1.00 15.22 N ATOM 1375 CA LEU A 96 -0.459 -9.587 6.128 1.00 14.40 C ATOM 1376 C LEU A 96 -1.475 -8.755 6.893 1.00 44.51 C ATOM 1377 O LEU A 96 -1.472 -7.526 6.811 1.00 21.03 O ATOM 1378 CB LEU A 96 -1.148 -10.325 4.984 1.00 74.14 C ATOM 1379 CG LEU A 96 -1.857 -9.459 3.948 1.00 4.12 C ATOM 1380 CD1 LEU A 96 -0.871 -8.562 3.211 1.00 33.15 C ATOM 1381 CD2 LEU A 96 -2.630 -10.327 2.984 1.00 53.45 C ATOM 0 H LEU A 96 -0.008 -11.512 6.785 1.00 15.22 H new ATOM 0 HA LEU A 96 0.307 -8.932 5.713 1.00 14.40 H new ATOM 0 HB2 LEU A 96 -0.402 -10.931 4.470 1.00 74.14 H new ATOM 0 HB3 LEU A 96 -1.878 -11.013 5.411 1.00 74.14 H new ATOM 0 HG LEU A 96 -2.561 -8.809 4.468 1.00 4.12 H new ATOM 0 HD11 LEU A 96 -1.406 -7.957 2.479 1.00 33.15 H new ATOM 0 HD12 LEU A 96 -0.370 -7.909 3.925 1.00 33.15 H new ATOM 0 HD13 LEU A 96 -0.130 -9.178 2.700 1.00 33.15 H new ATOM 0 HD21 LEU A 96 -3.132 -9.697 2.249 1.00 53.45 H new ATOM 0 HD22 LEU A 96 -1.945 -11.004 2.474 1.00 53.45 H new ATOM 0 HD23 LEU A 96 -3.372 -10.907 3.532 1.00 53.45 H new ATOM 1389 N GLN A 97 -2.309 -9.441 7.664 1.00 13.25 N ATOM 1390 CA GLN A 97 -3.338 -8.814 8.459 1.00 32.23 C ATOM 1391 C GLN A 97 -2.734 -7.805 9.425 1.00 0.55 C ATOM 1392 O GLN A 97 -3.168 -6.659 9.482 1.00 73.31 O ATOM 1393 CB GLN A 97 -4.124 -9.892 9.202 1.00 70.12 C ATOM 1394 CG GLN A 97 -5.260 -9.381 10.060 1.00 73.45 C ATOM 1395 CD GLN A 97 -6.028 -10.515 10.690 1.00 75.42 C ATOM 1396 OE1 GLN A 97 -5.701 -10.972 11.787 1.00 15.30 O ATOM 1397 NE2 GLN A 97 -7.055 -10.974 10.014 1.00 22.12 N ATOM 0 H GLN A 97 -2.284 -10.457 7.751 1.00 13.25 H new ATOM 0 HA GLN A 97 -4.019 -8.268 7.806 1.00 32.23 H new ATOM 0 HB2 GLN A 97 -4.528 -10.594 8.472 1.00 70.12 H new ATOM 0 HB3 GLN A 97 -3.435 -10.451 9.834 1.00 70.12 H new ATOM 0 HG2 GLN A 97 -4.864 -8.730 10.840 1.00 73.45 H new ATOM 0 HG3 GLN A 97 -5.934 -8.777 9.452 1.00 73.45 H new ATOM 0 HE21 GLN A 97 -7.292 -10.568 9.109 1.00 22.12 H new ATOM 0 HE22 GLN A 97 -7.616 -11.737 10.394 1.00 22.12 H new ATOM 1405 N LYS A 98 -1.698 -8.225 10.141 1.00 34.43 N ATOM 1406 CA LYS A 98 -1.024 -7.358 11.100 1.00 21.13 C ATOM 1407 C LYS A 98 -0.407 -6.141 10.408 1.00 23.02 C ATOM 1408 O LYS A 98 -0.404 -5.034 10.956 1.00 53.10 O ATOM 1409 CB LYS A 98 0.046 -8.130 11.879 1.00 3.45 C ATOM 1410 CG LYS A 98 -0.493 -9.308 12.695 1.00 71.31 C ATOM 1411 CD LYS A 98 -1.538 -8.872 13.727 1.00 24.04 C ATOM 1412 CE LYS A 98 -0.963 -7.897 14.748 1.00 3.30 C ATOM 1413 NZ LYS A 98 -1.986 -7.451 15.722 1.00 53.10 N ATOM 0 H LYS A 98 -1.305 -9.164 10.075 1.00 34.43 H new ATOM 0 HA LYS A 98 -1.774 -7.002 11.806 1.00 21.13 H new ATOM 0 HB2 LYS A 98 0.792 -8.501 11.177 1.00 3.45 H new ATOM 0 HB3 LYS A 98 0.556 -7.441 12.552 1.00 3.45 H new ATOM 0 HG2 LYS A 98 -0.936 -10.041 12.021 1.00 71.31 H new ATOM 0 HG3 LYS A 98 0.334 -9.802 13.205 1.00 71.31 H new ATOM 0 HD2 LYS A 98 -2.380 -8.406 13.215 1.00 24.04 H new ATOM 0 HD3 LYS A 98 -1.926 -9.750 14.243 1.00 24.04 H new ATOM 0 HE2 LYS A 98 -0.138 -8.372 15.279 1.00 3.30 H new ATOM 0 HE3 LYS A 98 -0.552 -7.030 14.231 1.00 3.30 H new ATOM 0 HZ1 LYS A 98 -1.556 -6.789 16.399 1.00 53.10 H new ATOM 0 HZ2 LYS A 98 -2.761 -6.975 15.218 1.00 53.10 H new ATOM 0 HZ3 LYS A 98 -2.361 -8.275 16.234 1.00 53.10 H new ATOM 1427 N SER A 99 0.079 -6.338 9.206 1.00 45.41 N ATOM 1428 CA SER A 99 0.675 -5.267 8.450 1.00 12.34 C ATOM 1429 C SER A 99 -0.412 -4.259 7.973 1.00 41.04 C ATOM 1430 O SER A 99 -0.207 -3.035 8.017 1.00 65.13 O ATOM 1431 CB SER A 99 1.486 -5.849 7.284 1.00 71.21 C ATOM 1432 OG SER A 99 2.476 -6.751 7.764 1.00 23.34 O ATOM 0 H SER A 99 0.072 -7.239 8.728 1.00 45.41 H new ATOM 0 HA SER A 99 1.361 -4.708 9.086 1.00 12.34 H new ATOM 0 HB2 SER A 99 0.820 -6.366 6.593 1.00 71.21 H new ATOM 0 HB3 SER A 99 1.961 -5.042 6.726 1.00 71.21 H new ATOM 0 HG SER A 99 2.068 -7.626 7.930 1.00 23.34 H new ATOM 1438 N LEU A 100 -1.576 -4.781 7.558 1.00 11.20 N ATOM 1439 CA LEU A 100 -2.702 -3.932 7.126 1.00 74.55 C ATOM 1440 C LEU A 100 -3.215 -3.120 8.311 1.00 71.35 C ATOM 1441 O LEU A 100 -3.552 -1.930 8.188 1.00 2.10 O ATOM 1442 CB LEU A 100 -3.848 -4.790 6.564 1.00 62.12 C ATOM 1443 CG LEU A 100 -3.528 -5.683 5.361 1.00 31.13 C ATOM 1444 CD1 LEU A 100 -4.751 -6.464 4.949 1.00 25.24 C ATOM 1445 CD2 LEU A 100 -3.011 -4.868 4.193 1.00 72.43 C ATOM 0 H LEU A 100 -1.764 -5.782 7.512 1.00 11.20 H new ATOM 0 HA LEU A 100 -2.348 -3.263 6.342 1.00 74.55 H new ATOM 0 HB2 LEU A 100 -4.220 -5.426 7.368 1.00 62.12 H new ATOM 0 HB3 LEU A 100 -4.663 -4.123 6.283 1.00 62.12 H new ATOM 0 HG LEU A 100 -2.745 -6.379 5.660 1.00 31.13 H new ATOM 0 HD11 LEU A 100 -4.509 -7.094 4.093 1.00 25.24 H new ATOM 0 HD12 LEU A 100 -5.080 -7.090 5.779 1.00 25.24 H new ATOM 0 HD13 LEU A 100 -5.549 -5.773 4.677 1.00 25.24 H new ATOM 0 HD21 LEU A 100 -2.793 -5.530 3.355 1.00 72.43 H new ATOM 0 HD22 LEU A 100 -3.766 -4.141 3.894 1.00 72.43 H new ATOM 0 HD23 LEU A 100 -2.101 -4.345 4.488 1.00 72.43 H new ATOM 1453 N GLU A 101 -3.239 -3.776 9.452 1.00 44.41 N ATOM 1454 CA GLU A 101 -3.668 -3.183 10.730 1.00 13.44 C ATOM 1455 C GLU A 101 -2.788 -2.003 11.098 1.00 42.12 C ATOM 1456 O GLU A 101 -3.272 -0.963 11.589 1.00 31.32 O ATOM 1457 CB GLU A 101 -3.612 -4.240 11.838 1.00 45.04 C ATOM 1458 CG GLU A 101 -4.737 -5.263 11.799 1.00 42.14 C ATOM 1459 CD GLU A 101 -6.040 -4.695 12.311 1.00 2.10 C ATOM 1460 OE1 GLU A 101 -6.700 -3.938 11.607 1.00 3.33 O ATOM 1461 OE2 GLU A 101 -6.393 -4.986 13.482 1.00 21.11 O ATOM 0 H GLU A 101 -2.959 -4.753 9.534 1.00 44.41 H new ATOM 0 HA GLU A 101 -4.693 -2.828 10.620 1.00 13.44 H new ATOM 0 HB2 GLU A 101 -2.659 -4.765 11.772 1.00 45.04 H new ATOM 0 HB3 GLU A 101 -3.632 -3.735 12.804 1.00 45.04 H new ATOM 0 HG2 GLU A 101 -4.872 -5.614 10.776 1.00 42.14 H new ATOM 0 HG3 GLU A 101 -4.459 -6.130 12.399 1.00 42.14 H new ATOM 1468 N ALA A 102 -1.511 -2.159 10.847 1.00 11.22 N ATOM 1469 CA ALA A 102 -0.547 -1.133 11.126 1.00 21.11 C ATOM 1470 C ALA A 102 -0.753 0.073 10.209 1.00 61.24 C ATOM 1471 O ALA A 102 -0.723 1.222 10.672 1.00 20.40 O ATOM 1472 CB ALA A 102 0.860 -1.687 11.014 1.00 41.24 C ATOM 0 H ALA A 102 -1.114 -3.006 10.442 1.00 11.22 H new ATOM 0 HA ALA A 102 -0.690 -0.789 12.150 1.00 21.11 H new ATOM 0 HB1 ALA A 102 1.580 -0.897 11.228 1.00 41.24 H new ATOM 0 HB2 ALA A 102 0.989 -2.500 11.729 1.00 41.24 H new ATOM 0 HB3 ALA A 102 1.024 -2.063 10.004 1.00 41.24 H new ATOM 1478 N MET A 103 -0.998 -0.184 8.905 1.00 51.22 N ATOM 1479 CA MET A 103 -1.248 0.913 7.952 1.00 63.35 C ATOM 1480 C MET A 103 -2.448 1.712 8.371 1.00 11.33 C ATOM 1481 O MET A 103 -2.403 2.939 8.386 1.00 34.10 O ATOM 1482 CB MET A 103 -1.482 0.448 6.509 1.00 75.41 C ATOM 1483 CG MET A 103 -0.333 -0.265 5.858 1.00 14.54 C ATOM 1484 SD MET A 103 -0.587 -0.490 4.078 1.00 4.40 S ATOM 1485 CE MET A 103 -2.144 -1.366 4.027 1.00 71.04 C ATOM 0 H MET A 103 -1.027 -1.119 8.498 1.00 51.22 H new ATOM 0 HA MET A 103 -0.338 1.512 7.970 1.00 63.35 H new ATOM 0 HB2 MET A 103 -2.349 -0.212 6.496 1.00 75.41 H new ATOM 0 HB3 MET A 103 -1.735 1.318 5.903 1.00 75.41 H new ATOM 0 HG2 MET A 103 0.584 0.300 6.024 1.00 14.54 H new ATOM 0 HG3 MET A 103 -0.197 -1.238 6.330 1.00 14.54 H new ATOM 0 HE1 MET A 103 -2.079 -2.182 3.307 1.00 71.04 H new ATOM 0 HE2 MET A 103 -2.367 -1.770 5.015 1.00 71.04 H new ATOM 0 HE3 MET A 103 -2.937 -0.681 3.728 1.00 71.04 H new ATOM 1495 N LYS A 104 -3.514 1.011 8.714 1.00 54.00 N ATOM 1496 CA LYS A 104 -4.746 1.629 9.131 1.00 21.35 C ATOM 1497 C LYS A 104 -4.549 2.549 10.309 1.00 31.43 C ATOM 1498 O LYS A 104 -4.880 3.732 10.240 1.00 62.54 O ATOM 1499 CB LYS A 104 -5.760 0.589 9.455 1.00 55.25 C ATOM 1500 CG LYS A 104 -7.073 1.172 9.928 1.00 12.31 C ATOM 1501 CD LYS A 104 -8.059 0.099 10.219 1.00 35.22 C ATOM 1502 CE LYS A 104 -7.414 -0.941 11.068 1.00 13.33 C ATOM 1503 NZ LYS A 104 -8.369 -1.914 11.609 1.00 54.44 N ATOM 0 H LYS A 104 -3.543 -0.009 8.709 1.00 54.00 H new ATOM 0 HA LYS A 104 -5.103 2.236 8.299 1.00 21.35 H new ATOM 0 HB2 LYS A 104 -5.938 -0.025 8.572 1.00 55.25 H new ATOM 0 HB3 LYS A 104 -5.363 -0.070 10.226 1.00 55.25 H new ATOM 0 HG2 LYS A 104 -6.907 1.771 10.824 1.00 12.31 H new ATOM 0 HG3 LYS A 104 -7.473 1.841 9.166 1.00 12.31 H new ATOM 0 HD2 LYS A 104 -8.927 0.515 10.730 1.00 35.22 H new ATOM 0 HD3 LYS A 104 -8.417 -0.344 9.290 1.00 35.22 H new ATOM 0 HE2 LYS A 104 -6.662 -1.467 10.480 1.00 13.33 H new ATOM 0 HE3 LYS A 104 -6.892 -0.456 11.893 1.00 13.33 H new ATOM 0 HZ1 LYS A 104 -7.873 -2.801 11.830 1.00 54.44 H new ATOM 0 HZ2 LYS A 104 -8.799 -1.533 12.476 1.00 54.44 H new ATOM 0 HZ3 LYS A 104 -9.112 -2.099 10.906 1.00 54.44 H new ATOM 1517 N SER A 105 -3.983 2.014 11.372 1.00 42.24 N ATOM 1518 CA SER A 105 -3.729 2.777 12.576 1.00 34.21 C ATOM 1519 C SER A 105 -2.866 4.018 12.275 1.00 74.12 C ATOM 1520 O SER A 105 -3.150 5.117 12.757 1.00 15.04 O ATOM 1521 CB SER A 105 -3.077 1.874 13.612 1.00 14.12 C ATOM 1522 OG SER A 105 -3.912 0.736 13.854 1.00 50.44 O ATOM 0 H SER A 105 -3.687 1.039 11.425 1.00 42.24 H new ATOM 0 HA SER A 105 -4.674 3.143 12.978 1.00 34.21 H new ATOM 0 HB2 SER A 105 -2.097 1.550 13.261 1.00 14.12 H new ATOM 0 HB3 SER A 105 -2.918 2.424 14.539 1.00 14.12 H new ATOM 0 HG SER A 105 -3.760 0.064 13.157 1.00 50.44 H new ATOM 1528 N HIS A 106 -1.851 3.842 11.434 1.00 44.03 N ATOM 1529 CA HIS A 106 -0.986 4.940 11.023 1.00 43.33 C ATOM 1530 C HIS A 106 -1.779 6.012 10.256 1.00 41.55 C ATOM 1531 O HIS A 106 -1.588 7.220 10.477 1.00 1.43 O ATOM 1532 CB HIS A 106 0.184 4.425 10.156 1.00 33.40 C ATOM 1533 CG HIS A 106 1.076 5.520 9.653 1.00 71.24 C ATOM 1534 ND1 HIS A 106 0.851 6.183 8.464 1.00 42.11 N ATOM 1535 CD2 HIS A 106 2.158 6.101 10.198 1.00 31.20 C ATOM 1536 CE1 HIS A 106 1.735 7.120 8.307 1.00 54.34 C ATOM 1537 NE2 HIS A 106 2.550 7.098 9.343 1.00 12.34 N ATOM 0 H HIS A 106 -1.607 2.941 11.022 1.00 44.03 H new ATOM 0 HA HIS A 106 -0.578 5.393 11.926 1.00 43.33 H new ATOM 0 HB2 HIS A 106 0.778 3.722 10.740 1.00 33.40 H new ATOM 0 HB3 HIS A 106 -0.218 3.874 9.306 1.00 33.40 H new ATOM 0 HD1 HIS A 106 0.101 5.969 7.806 1.00 42.11 H new ATOM 0 HD2 HIS A 106 2.629 5.833 11.132 1.00 31.20 H new ATOM 0 HE1 HIS A 106 1.793 7.801 7.471 1.00 54.34 H new ATOM 1546 N CYS A 107 -2.639 5.576 9.355 1.00 15.53 N ATOM 1547 CA CYS A 107 -3.433 6.490 8.555 1.00 73.11 C ATOM 1548 C CYS A 107 -4.383 7.293 9.428 1.00 4.01 C ATOM 1549 O CYS A 107 -4.492 8.502 9.273 1.00 3.21 O ATOM 1550 CB CYS A 107 -4.209 5.743 7.475 1.00 1.12 C ATOM 1551 SG CYS A 107 -3.181 4.848 6.298 1.00 3.43 S ATOM 0 H CYS A 107 -2.806 4.589 9.158 1.00 15.53 H new ATOM 0 HA CYS A 107 -2.747 7.182 8.066 1.00 73.11 H new ATOM 0 HB2 CYS A 107 -4.887 5.038 7.955 1.00 1.12 H new ATOM 0 HB3 CYS A 107 -4.826 6.457 6.929 1.00 1.12 H new ATOM 0 HG CYS A 107 -2.548 3.893 6.913 1.00 3.43 H new ATOM 1557 N LEU A 108 -5.023 6.618 10.369 1.00 33.33 N ATOM 1558 CA LEU A 108 -5.983 7.248 11.269 1.00 1.43 C ATOM 1559 C LEU A 108 -5.343 8.371 12.085 1.00 45.23 C ATOM 1560 O LEU A 108 -5.959 9.427 12.296 1.00 55.02 O ATOM 1561 CB LEU A 108 -6.612 6.207 12.199 1.00 33.41 C ATOM 1562 CG LEU A 108 -7.375 5.072 11.513 1.00 14.31 C ATOM 1563 CD1 LEU A 108 -7.943 4.110 12.538 1.00 15.33 C ATOM 1564 CD2 LEU A 108 -8.479 5.620 10.628 1.00 45.00 C ATOM 0 H LEU A 108 -4.894 5.620 10.533 1.00 33.33 H new ATOM 0 HA LEU A 108 -6.765 7.691 10.653 1.00 1.43 H new ATOM 0 HB2 LEU A 108 -5.822 5.770 12.811 1.00 33.41 H new ATOM 0 HB3 LEU A 108 -7.294 6.719 12.877 1.00 33.41 H new ATOM 0 HG LEU A 108 -6.672 4.527 10.883 1.00 14.31 H new ATOM 0 HD11 LEU A 108 -8.481 3.311 12.028 1.00 15.33 H new ATOM 0 HD12 LEU A 108 -7.130 3.683 13.125 1.00 15.33 H new ATOM 0 HD13 LEU A 108 -8.626 4.644 13.199 1.00 15.33 H new ATOM 0 HD21 LEU A 108 -9.007 4.794 10.151 1.00 45.00 H new ATOM 0 HD22 LEU A 108 -9.178 6.196 11.234 1.00 45.00 H new ATOM 0 HD23 LEU A 108 -8.046 6.264 9.862 1.00 45.00 H new ATOM 1572 N LYS A 109 -4.112 8.152 12.525 1.00 64.43 N ATOM 1573 CA LYS A 109 -3.390 9.140 13.324 1.00 33.31 C ATOM 1574 C LYS A 109 -3.045 10.372 12.500 1.00 40.14 C ATOM 1575 O LYS A 109 -3.257 11.500 12.927 1.00 23.05 O ATOM 1576 CB LYS A 109 -2.094 8.542 13.895 1.00 44.14 C ATOM 1577 CG LYS A 109 -2.289 7.337 14.809 1.00 40.31 C ATOM 1578 CD LYS A 109 -3.163 7.662 16.015 1.00 35.11 C ATOM 1579 CE LYS A 109 -2.558 8.758 16.885 1.00 42.55 C ATOM 1580 NZ LYS A 109 -3.427 9.083 18.030 1.00 22.24 N ATOM 0 H LYS A 109 -3.588 7.296 12.343 1.00 64.43 H new ATOM 0 HA LYS A 109 -4.048 9.432 14.143 1.00 33.31 H new ATOM 0 HB2 LYS A 109 -1.450 8.250 13.066 1.00 44.14 H new ATOM 0 HB3 LYS A 109 -1.567 9.318 14.450 1.00 44.14 H new ATOM 0 HG2 LYS A 109 -2.743 6.524 14.243 1.00 40.31 H new ATOM 0 HG3 LYS A 109 -1.317 6.983 15.152 1.00 40.31 H new ATOM 0 HD2 LYS A 109 -4.150 7.975 15.673 1.00 35.11 H new ATOM 0 HD3 LYS A 109 -3.304 6.762 16.613 1.00 35.11 H new ATOM 0 HE2 LYS A 109 -1.581 8.438 17.248 1.00 42.55 H new ATOM 0 HE3 LYS A 109 -2.397 9.653 16.284 1.00 42.55 H new ATOM 0 HZ1 LYS A 109 -2.985 9.832 18.600 1.00 22.24 H new ATOM 0 HZ2 LYS A 109 -4.350 9.412 17.683 1.00 22.24 H new ATOM 0 HZ3 LYS A 109 -3.560 8.235 18.617 1.00 22.24 H new ATOM 1594 N ASN A 110 -2.542 10.141 11.312 1.00 45.13 N ATOM 1595 CA ASN A 110 -2.050 11.227 10.455 1.00 31.30 C ATOM 1596 C ASN A 110 -3.134 11.829 9.570 1.00 24.04 C ATOM 1597 O ASN A 110 -2.877 12.767 8.816 1.00 42.51 O ATOM 1598 CB ASN A 110 -0.865 10.745 9.609 1.00 62.12 C ATOM 1599 CG ASN A 110 0.341 10.379 10.454 1.00 62.52 C ATOM 1600 OD1 ASN A 110 1.210 11.211 10.712 1.00 14.52 O ATOM 1601 ND2 ASN A 110 0.400 9.145 10.901 1.00 52.13 N ATOM 0 H ASN A 110 -2.456 9.211 10.902 1.00 45.13 H new ATOM 0 HA ASN A 110 -1.718 12.025 11.120 1.00 31.30 H new ATOM 0 HB2 ASN A 110 -1.170 9.878 9.022 1.00 62.12 H new ATOM 0 HB3 ASN A 110 -0.586 11.526 8.902 1.00 62.12 H new ATOM 0 HD21 ASN A 110 1.185 8.850 11.482 1.00 52.13 H new ATOM 0 HD22 ASN A 110 -0.339 8.482 10.667 1.00 52.13 H new ATOM 1607 N GLY A 111 -4.333 11.288 9.658 1.00 13.11 N ATOM 1608 CA GLY A 111 -5.439 11.798 8.872 1.00 13.44 C ATOM 1609 C GLY A 111 -5.306 11.440 7.414 1.00 3.50 C ATOM 1610 O GLY A 111 -5.737 12.183 6.537 1.00 50.10 O ATOM 0 H GLY A 111 -4.566 10.500 10.262 1.00 13.11 H new ATOM 0 HA2 GLY A 111 -6.375 11.397 9.260 1.00 13.44 H new ATOM 0 HA3 GLY A 111 -5.489 12.882 8.976 1.00 13.44 H new ATOM 1614 N VAL A 112 -4.704 10.304 7.160 1.00 73.33 N ATOM 1615 CA VAL A 112 -4.497 9.833 5.817 1.00 23.14 C ATOM 1616 C VAL A 112 -5.676 8.972 5.401 1.00 61.45 C ATOM 1617 O VAL A 112 -5.811 7.831 5.832 1.00 44.15 O ATOM 1618 CB VAL A 112 -3.142 9.062 5.670 1.00 32.31 C ATOM 1619 CG1 VAL A 112 -2.967 8.531 4.258 1.00 74.35 C ATOM 1620 CG2 VAL A 112 -1.991 9.992 6.014 1.00 45.00 C ATOM 0 H VAL A 112 -4.344 9.680 7.882 1.00 73.33 H new ATOM 0 HA VAL A 112 -4.432 10.694 5.152 1.00 23.14 H new ATOM 0 HB VAL A 112 -3.150 8.214 6.355 1.00 32.31 H new ATOM 0 HG11 VAL A 112 -2.018 8.000 4.184 1.00 74.35 H new ATOM 0 HG12 VAL A 112 -3.784 7.849 4.022 1.00 74.35 H new ATOM 0 HG13 VAL A 112 -2.973 9.362 3.553 1.00 74.35 H new ATOM 0 HG21 VAL A 112 -1.047 9.456 5.912 1.00 45.00 H new ATOM 0 HG22 VAL A 112 -1.998 10.846 5.337 1.00 45.00 H new ATOM 0 HG23 VAL A 112 -2.100 10.342 7.040 1.00 45.00 H new ATOM 1626 N THR A 113 -6.547 9.545 4.612 1.00 25.04 N ATOM 1627 CA THR A 113 -7.741 8.867 4.190 1.00 12.54 C ATOM 1628 C THR A 113 -7.644 8.379 2.749 1.00 75.53 C ATOM 1629 O THR A 113 -8.516 7.651 2.269 1.00 10.24 O ATOM 1630 CB THR A 113 -8.976 9.773 4.377 1.00 33.14 C ATOM 1631 OG1 THR A 113 -8.728 11.062 3.780 1.00 70.54 O ATOM 1632 CG2 THR A 113 -9.302 9.950 5.855 1.00 61.42 C ATOM 0 H THR A 113 -6.448 10.492 4.246 1.00 25.04 H new ATOM 0 HA THR A 113 -7.854 7.986 4.822 1.00 12.54 H new ATOM 0 HB THR A 113 -9.827 9.298 3.889 1.00 33.14 H new ATOM 0 HG1 THR A 113 -9.515 11.634 3.899 1.00 70.54 H new ATOM 0 HG21 THR A 113 -10.176 10.593 5.960 1.00 61.42 H new ATOM 0 HG22 THR A 113 -9.511 8.977 6.301 1.00 61.42 H new ATOM 0 HG23 THR A 113 -8.453 10.407 6.363 1.00 61.42 H new ATOM 1638 N ASP A 114 -6.587 8.769 2.067 1.00 32.32 N ATOM 1639 CA ASP A 114 -6.381 8.358 0.688 1.00 23.04 C ATOM 1640 C ASP A 114 -5.300 7.312 0.649 1.00 72.42 C ATOM 1641 O ASP A 114 -4.116 7.620 0.890 1.00 20.24 O ATOM 1642 CB ASP A 114 -5.954 9.536 -0.209 1.00 73.34 C ATOM 1643 CG ASP A 114 -6.913 10.703 -0.213 1.00 3.25 C ATOM 1644 OD1 ASP A 114 -7.853 10.731 -1.050 1.00 54.04 O ATOM 1645 OD2 ASP A 114 -6.732 11.627 0.596 1.00 75.24 O ATOM 0 H ASP A 114 -5.855 9.371 2.443 1.00 32.32 H new ATOM 0 HA ASP A 114 -7.326 7.968 0.311 1.00 23.04 H new ATOM 0 HB2 ASP A 114 -4.975 9.888 0.117 1.00 73.34 H new ATOM 0 HB3 ASP A 114 -5.838 9.174 -1.231 1.00 73.34 H new ATOM 1650 N LEU A 115 -5.676 6.094 0.370 1.00 33.42 N ATOM 1651 CA LEU A 115 -4.724 5.023 0.300 1.00 64.25 C ATOM 1652 C LEU A 115 -4.714 4.541 -1.150 1.00 5.53 C ATOM 1653 O LEU A 115 -5.769 4.201 -1.720 1.00 72.43 O ATOM 1654 CB LEU A 115 -5.159 3.881 1.256 1.00 45.42 C ATOM 1655 CG LEU A 115 -4.083 2.884 1.748 1.00 22.23 C ATOM 1656 CD1 LEU A 115 -3.363 2.203 0.614 1.00 35.21 C ATOM 1657 CD2 LEU A 115 -3.102 3.559 2.685 1.00 53.43 C ATOM 0 H LEU A 115 -6.641 5.819 0.187 1.00 33.42 H new ATOM 0 HA LEU A 115 -3.728 5.347 0.602 1.00 64.25 H new ATOM 0 HB2 LEU A 115 -5.614 4.339 2.134 1.00 45.42 H new ATOM 0 HB3 LEU A 115 -5.939 3.307 0.755 1.00 45.42 H new ATOM 0 HG LEU A 115 -4.608 2.105 2.301 1.00 22.23 H new ATOM 0 HD11 LEU A 115 -2.620 1.515 1.016 1.00 35.21 H new ATOM 0 HD12 LEU A 115 -4.080 1.649 0.008 1.00 35.21 H new ATOM 0 HD13 LEU A 115 -2.868 2.952 -0.004 1.00 35.21 H new ATOM 0 HD21 LEU A 115 -2.357 2.835 3.015 1.00 53.43 H new ATOM 0 HD22 LEU A 115 -2.606 4.378 2.164 1.00 53.43 H new ATOM 0 HD23 LEU A 115 -3.636 3.950 3.551 1.00 53.43 H new ATOM 1665 N SER A 116 -3.562 4.527 -1.727 1.00 13.24 N ATOM 1666 CA SER A 116 -3.367 4.174 -3.083 1.00 53.24 C ATOM 1667 C SER A 116 -2.542 2.895 -3.105 1.00 3.43 C ATOM 1668 O SER A 116 -1.475 2.832 -2.497 1.00 64.24 O ATOM 1669 CB SER A 116 -2.573 5.315 -3.725 1.00 5.14 C ATOM 1670 OG SER A 116 -2.571 5.265 -5.129 1.00 54.41 O ATOM 0 H SER A 116 -2.698 4.772 -1.244 1.00 13.24 H new ATOM 0 HA SER A 116 -4.305 4.017 -3.616 1.00 53.24 H new ATOM 0 HB2 SER A 116 -2.993 6.268 -3.402 1.00 5.14 H new ATOM 0 HB3 SER A 116 -1.545 5.281 -3.365 1.00 5.14 H new ATOM 0 HG SER A 116 -3.230 5.900 -5.480 1.00 54.41 H new ATOM 1676 N MET A 117 -3.023 1.886 -3.759 1.00 52.12 N ATOM 1677 CA MET A 117 -2.291 0.642 -3.823 1.00 71.42 C ATOM 1678 C MET A 117 -2.578 -0.042 -5.139 1.00 35.25 C ATOM 1679 O MET A 117 -3.590 0.245 -5.777 1.00 14.41 O ATOM 1680 CB MET A 117 -2.680 -0.307 -2.649 1.00 43.43 C ATOM 1681 CG MET A 117 -4.130 -0.776 -2.677 1.00 34.54 C ATOM 1682 SD MET A 117 -4.526 -2.017 -1.407 1.00 72.14 S ATOM 1683 CE MET A 117 -4.224 -1.120 0.112 1.00 74.41 C ATOM 0 H MET A 117 -3.913 1.889 -4.257 1.00 52.12 H new ATOM 0 HA MET A 117 -1.228 0.867 -3.740 1.00 71.42 H new ATOM 0 HB2 MET A 117 -2.027 -1.180 -2.671 1.00 43.43 H new ATOM 0 HB3 MET A 117 -2.494 0.206 -1.705 1.00 43.43 H new ATOM 0 HG2 MET A 117 -4.783 0.086 -2.545 1.00 34.54 H new ATOM 0 HG3 MET A 117 -4.348 -1.194 -3.660 1.00 34.54 H new ATOM 0 HE1 MET A 117 -4.361 -1.788 0.962 1.00 74.41 H new ATOM 0 HE2 MET A 117 -3.203 -0.737 0.112 1.00 74.41 H new ATOM 0 HE3 MET A 117 -4.924 -0.288 0.188 1.00 74.41 H new ATOM 1693 N PRO A 118 -1.688 -0.915 -5.594 1.00 71.42 N ATOM 1694 CA PRO A 118 -1.941 -1.732 -6.747 1.00 14.15 C ATOM 1695 C PRO A 118 -2.571 -3.032 -6.278 1.00 33.23 C ATOM 1696 O PRO A 118 -2.996 -3.144 -5.122 1.00 65.33 O ATOM 1697 CB PRO A 118 -0.536 -2.002 -7.281 1.00 54.30 C ATOM 1698 CG PRO A 118 0.322 -2.054 -6.057 1.00 74.11 C ATOM 1699 CD PRO A 118 -0.350 -1.176 -5.020 1.00 23.41 C ATOM 0 HA PRO A 118 -2.603 -1.282 -7.487 1.00 14.15 H new ATOM 0 HB2 PRO A 118 -0.495 -2.939 -7.836 1.00 54.30 H new ATOM 0 HB3 PRO A 118 -0.211 -1.215 -7.961 1.00 54.30 H new ATOM 0 HG2 PRO A 118 0.418 -3.077 -5.695 1.00 74.11 H new ATOM 0 HG3 PRO A 118 1.329 -1.697 -6.274 1.00 74.11 H new ATOM 0 HD2 PRO A 118 -0.419 -1.678 -4.055 1.00 23.41 H new ATOM 0 HD3 PRO A 118 0.204 -0.251 -4.859 1.00 23.41 H new ATOM 1707 N ARG A 119 -2.633 -4.008 -7.127 1.00 14.50 N ATOM 1708 CA ARG A 119 -3.114 -5.276 -6.685 1.00 14.13 C ATOM 1709 C ARG A 119 -1.993 -6.039 -6.012 1.00 74.42 C ATOM 1710 O ARG A 119 -1.105 -6.595 -6.666 1.00 0.32 O ATOM 1711 CB ARG A 119 -3.779 -6.066 -7.799 1.00 51.21 C ATOM 1712 CG ARG A 119 -5.023 -5.384 -8.334 1.00 63.25 C ATOM 1713 CD ARG A 119 -5.756 -6.256 -9.317 1.00 34.01 C ATOM 1714 NE ARG A 119 -6.961 -5.593 -9.832 1.00 12.21 N ATOM 1715 CZ ARG A 119 -8.102 -6.218 -10.143 1.00 70.10 C ATOM 1716 NH1 ARG A 119 -8.258 -7.500 -9.832 1.00 5.33 N ATOM 1717 NH2 ARG A 119 -9.089 -5.549 -10.739 1.00 23.21 N ATOM 0 H ARG A 119 -2.363 -3.955 -8.109 1.00 14.50 H new ATOM 0 HA ARG A 119 -3.901 -5.110 -5.949 1.00 14.13 H new ATOM 0 HB2 ARG A 119 -3.068 -6.208 -8.613 1.00 51.21 H new ATOM 0 HB3 ARG A 119 -4.043 -7.057 -7.429 1.00 51.21 H new ATOM 0 HG2 ARG A 119 -5.685 -5.133 -7.506 1.00 63.25 H new ATOM 0 HG3 ARG A 119 -4.746 -4.446 -8.816 1.00 63.25 H new ATOM 0 HD2 ARG A 119 -5.095 -6.506 -10.147 1.00 34.01 H new ATOM 0 HD3 ARG A 119 -6.033 -7.194 -8.836 1.00 34.01 H new ATOM 0 HE ARG A 119 -6.925 -4.582 -9.962 1.00 12.21 H new ATOM 0 HH11 ARG A 119 -7.509 -8.004 -9.358 1.00 5.33 H new ATOM 0 HH12 ARG A 119 -9.127 -7.980 -10.068 1.00 5.33 H new ATOM 0 HH21 ARG A 119 -8.975 -4.559 -10.958 1.00 23.21 H new ATOM 0 HH22 ARG A 119 -9.959 -6.027 -10.976 1.00 23.21 H new ATOM 1729 N ILE A 120 -2.002 -5.979 -4.706 1.00 3.35 N ATOM 1730 CA ILE A 120 -1.013 -6.622 -3.879 1.00 11.44 C ATOM 1731 C ILE A 120 -1.494 -7.992 -3.452 1.00 31.23 C ATOM 1732 O ILE A 120 -2.635 -8.349 -3.716 1.00 31.14 O ATOM 1733 CB ILE A 120 -0.698 -5.773 -2.614 1.00 0.15 C ATOM 1734 CG1 ILE A 120 -1.974 -5.543 -1.775 1.00 75.54 C ATOM 1735 CG2 ILE A 120 -0.057 -4.447 -3.008 1.00 4.40 C ATOM 1736 CD1 ILE A 120 -1.746 -4.755 -0.498 1.00 30.52 C ATOM 0 H ILE A 120 -2.711 -5.472 -4.176 1.00 3.35 H new ATOM 0 HA ILE A 120 -0.103 -6.721 -4.471 1.00 11.44 H new ATOM 0 HB ILE A 120 0.012 -6.325 -1.998 1.00 0.15 H new ATOM 0 HG12 ILE A 120 -2.708 -5.018 -2.387 1.00 75.54 H new ATOM 0 HG13 ILE A 120 -2.406 -6.510 -1.519 1.00 75.54 H new ATOM 0 HG21 ILE A 120 0.157 -3.866 -2.111 1.00 4.40 H new ATOM 0 HG22 ILE A 120 0.871 -4.637 -3.547 1.00 4.40 H new ATOM 0 HG23 ILE A 120 -0.740 -3.889 -3.648 1.00 4.40 H new ATOM 0 HD11 ILE A 120 -2.692 -4.638 0.031 1.00 30.52 H new ATOM 0 HD12 ILE A 120 -1.038 -5.288 0.137 1.00 30.52 H new ATOM 0 HD13 ILE A 120 -1.344 -3.772 -0.744 1.00 30.52 H new ATOM 1743 N GLY A 121 -0.612 -8.760 -2.831 1.00 21.33 N ATOM 1744 CA GLY A 121 -0.980 -10.058 -2.299 1.00 11.02 C ATOM 1745 C GLY A 121 -1.535 -11.000 -3.348 1.00 23.42 C ATOM 1746 O GLY A 121 -2.550 -11.656 -3.128 1.00 75.30 O ATOM 0 H GLY A 121 0.364 -8.504 -2.684 1.00 21.33 H new ATOM 0 HA2 GLY A 121 -0.105 -10.515 -1.837 1.00 11.02 H new ATOM 0 HA3 GLY A 121 -1.722 -9.923 -1.512 1.00 11.02 H new ATOM 1750 N CYS A 122 -0.869 -11.069 -4.482 1.00 32.05 N ATOM 1751 CA CYS A 122 -1.327 -11.911 -5.580 1.00 41.12 C ATOM 1752 C CYS A 122 -0.252 -12.164 -6.636 1.00 54.25 C ATOM 1753 O CYS A 122 -0.393 -13.066 -7.463 1.00 35.43 O ATOM 1754 CB CYS A 122 -2.610 -11.339 -6.204 1.00 71.15 C ATOM 1755 SG CYS A 122 -2.513 -9.586 -6.626 1.00 20.33 S ATOM 0 H CYS A 122 -0.009 -10.555 -4.672 1.00 32.05 H new ATOM 0 HA CYS A 122 -1.555 -12.887 -5.152 1.00 41.12 H new ATOM 0 HB2 CYS A 122 -2.846 -11.905 -7.105 1.00 71.15 H new ATOM 0 HB3 CYS A 122 -3.436 -11.488 -5.509 1.00 71.15 H new ATOM 0 HG CYS A 122 -2.678 -8.871 -5.553 1.00 20.33 H new ATOM 1761 N GLY A 123 0.832 -11.405 -6.592 1.00 20.40 N ATOM 1762 CA GLY A 123 1.877 -11.595 -7.564 1.00 22.10 C ATOM 1763 C GLY A 123 2.893 -12.573 -7.049 1.00 52.41 C ATOM 1764 O GLY A 123 2.613 -13.769 -6.923 1.00 0.33 O ATOM 0 H GLY A 123 1.002 -10.669 -5.907 1.00 20.40 H new ATOM 0 HA2 GLY A 123 1.452 -11.960 -8.499 1.00 22.10 H new ATOM 0 HA3 GLY A 123 2.358 -10.642 -7.783 1.00 22.10 H new ATOM 1768 N LEU A 124 4.060 -12.073 -6.703 1.00 33.03 N ATOM 1769 CA LEU A 124 5.123 -12.903 -6.128 1.00 14.51 C ATOM 1770 C LEU A 124 4.733 -13.325 -4.723 1.00 11.30 C ATOM 1771 O LEU A 124 5.306 -14.246 -4.149 1.00 34.33 O ATOM 1772 CB LEU A 124 6.491 -12.183 -6.094 1.00 14.14 C ATOM 1773 CG LEU A 124 7.145 -11.806 -7.442 1.00 74.15 C ATOM 1774 CD1 LEU A 124 6.382 -10.708 -8.178 1.00 5.53 C ATOM 1775 CD2 LEU A 124 8.592 -11.412 -7.232 1.00 44.31 C ATOM 0 H LEU A 124 4.308 -11.089 -6.807 1.00 33.03 H new ATOM 0 HA LEU A 124 5.236 -13.776 -6.771 1.00 14.51 H new ATOM 0 HB2 LEU A 124 6.373 -11.269 -5.513 1.00 14.14 H new ATOM 0 HB3 LEU A 124 7.190 -12.819 -5.550 1.00 14.14 H new ATOM 0 HG LEU A 124 7.106 -12.690 -8.078 1.00 74.15 H new ATOM 0 HD11 LEU A 124 6.885 -10.483 -9.118 1.00 5.53 H new ATOM 0 HD12 LEU A 124 5.366 -11.045 -8.382 1.00 5.53 H new ATOM 0 HD13 LEU A 124 6.349 -9.811 -7.560 1.00 5.53 H new ATOM 0 HD21 LEU A 124 9.040 -11.149 -8.190 1.00 44.31 H new ATOM 0 HD22 LEU A 124 8.642 -10.555 -6.560 1.00 44.31 H new ATOM 0 HD23 LEU A 124 9.137 -12.248 -6.794 1.00 44.31 H new ATOM 1783 N ASP A 125 3.748 -12.613 -4.195 1.00 51.22 N ATOM 1784 CA ASP A 125 3.196 -12.794 -2.856 1.00 23.14 C ATOM 1785 C ASP A 125 2.662 -14.211 -2.691 1.00 63.24 C ATOM 1786 O ASP A 125 2.632 -14.742 -1.597 1.00 10.34 O ATOM 1787 CB ASP A 125 2.012 -11.849 -2.674 1.00 42.11 C ATOM 1788 CG ASP A 125 2.266 -10.443 -3.165 1.00 74.54 C ATOM 1789 OD1 ASP A 125 2.792 -9.628 -2.417 1.00 51.54 O ATOM 1790 OD2 ASP A 125 1.902 -10.157 -4.351 1.00 53.50 O ATOM 0 H ASP A 125 3.290 -11.860 -4.709 1.00 51.22 H new ATOM 0 HA ASP A 125 3.984 -12.597 -2.129 1.00 23.14 H new ATOM 0 HB2 ASP A 125 1.150 -12.257 -3.202 1.00 42.11 H new ATOM 0 HB3 ASP A 125 1.749 -11.812 -1.617 1.00 42.11 H new ATOM 1795 N ARG A 126 2.198 -14.797 -3.813 1.00 40.23 N ATOM 1796 CA ARG A 126 1.638 -16.168 -3.857 1.00 10.12 C ATOM 1797 C ARG A 126 0.299 -16.255 -3.108 1.00 50.14 C ATOM 1798 O ARG A 126 -0.238 -17.349 -2.884 1.00 73.31 O ATOM 1799 CB ARG A 126 2.629 -17.210 -3.291 1.00 10.14 C ATOM 1800 CG ARG A 126 3.990 -17.235 -3.973 1.00 3.45 C ATOM 1801 CD ARG A 126 3.882 -17.496 -5.464 1.00 1.42 C ATOM 1802 NE ARG A 126 5.201 -17.502 -6.108 1.00 43.25 N ATOM 1803 CZ ARG A 126 5.414 -17.472 -7.428 1.00 5.45 C ATOM 1804 NH1 ARG A 126 4.397 -17.375 -8.267 1.00 4.12 N ATOM 1805 NH2 ARG A 126 6.653 -17.509 -7.899 1.00 72.05 N ATOM 0 H ARG A 126 2.200 -14.332 -4.721 1.00 40.23 H new ATOM 0 HA ARG A 126 1.462 -16.399 -4.908 1.00 10.12 H new ATOM 0 HB2 ARG A 126 2.774 -17.013 -2.229 1.00 10.14 H new ATOM 0 HB3 ARG A 126 2.179 -18.200 -3.373 1.00 10.14 H new ATOM 0 HG2 ARG A 126 4.494 -16.283 -3.809 1.00 3.45 H new ATOM 0 HG3 ARG A 126 4.609 -18.006 -3.515 1.00 3.45 H new ATOM 0 HD2 ARG A 126 3.390 -18.454 -5.632 1.00 1.42 H new ATOM 0 HD3 ARG A 126 3.256 -16.731 -5.923 1.00 1.42 H new ATOM 0 HE ARG A 126 6.020 -17.531 -5.501 1.00 43.25 H new ATOM 0 HH11 ARG A 126 3.443 -17.323 -7.909 1.00 4.12 H new ATOM 0 HH12 ARG A 126 4.566 -17.353 -9.273 1.00 4.12 H new ATOM 0 HH21 ARG A 126 7.442 -17.560 -7.255 1.00 72.05 H new ATOM 0 HH22 ARG A 126 6.817 -17.486 -8.905 1.00 72.05 H new ATOM 1817 N LEU A 127 -0.249 -15.116 -2.766 1.00 34.54 N ATOM 1818 CA LEU A 127 -1.491 -15.053 -2.030 1.00 43.02 C ATOM 1819 C LEU A 127 -2.659 -14.922 -3.000 1.00 50.03 C ATOM 1820 O LEU A 127 -2.460 -14.704 -4.205 1.00 53.34 O ATOM 1821 CB LEU A 127 -1.470 -13.857 -1.073 1.00 71.34 C ATOM 1822 CG LEU A 127 -0.310 -13.801 -0.076 1.00 34.40 C ATOM 1823 CD1 LEU A 127 -0.416 -12.564 0.791 1.00 12.31 C ATOM 1824 CD2 LEU A 127 -0.270 -15.046 0.786 1.00 62.41 C ATOM 0 H LEU A 127 0.152 -14.205 -2.989 1.00 34.54 H new ATOM 0 HA LEU A 127 -1.610 -15.968 -1.450 1.00 43.02 H new ATOM 0 HB2 LEU A 127 -1.453 -12.944 -1.668 1.00 71.34 H new ATOM 0 HB3 LEU A 127 -2.404 -13.853 -0.511 1.00 71.34 H new ATOM 0 HG LEU A 127 0.619 -13.753 -0.644 1.00 34.40 H new ATOM 0 HD11 LEU A 127 0.417 -12.540 1.494 1.00 12.31 H new ATOM 0 HD12 LEU A 127 -0.385 -11.675 0.161 1.00 12.31 H new ATOM 0 HD13 LEU A 127 -1.356 -12.586 1.342 1.00 12.31 H new ATOM 0 HD21 LEU A 127 0.564 -14.978 1.485 1.00 62.41 H new ATOM 0 HD22 LEU A 127 -1.203 -15.133 1.342 1.00 62.41 H new ATOM 0 HD23 LEU A 127 -0.142 -15.923 0.152 1.00 62.41 H new ATOM 1832 N GLN A 128 -3.858 -15.085 -2.499 1.00 60.33 N ATOM 1833 CA GLN A 128 -5.044 -14.936 -3.308 1.00 35.21 C ATOM 1834 C GLN A 128 -5.610 -13.554 -3.095 1.00 4.41 C ATOM 1835 O GLN A 128 -5.866 -13.157 -1.948 1.00 71.45 O ATOM 1836 CB GLN A 128 -6.133 -15.963 -2.956 1.00 31.33 C ATOM 1837 CG GLN A 128 -5.826 -17.445 -3.191 1.00 64.24 C ATOM 1838 CD GLN A 128 -4.714 -18.016 -2.318 1.00 45.31 C ATOM 1839 OE1 GLN A 128 -4.959 -18.481 -1.202 1.00 53.43 O ATOM 1840 NE2 GLN A 128 -3.508 -18.037 -2.826 1.00 30.25 N ATOM 0 H GLN A 128 -4.040 -15.323 -1.524 1.00 60.33 H new ATOM 0 HA GLN A 128 -4.752 -15.098 -4.346 1.00 35.21 H new ATOM 0 HB2 GLN A 128 -6.383 -15.837 -1.903 1.00 31.33 H new ATOM 0 HB3 GLN A 128 -7.026 -15.712 -3.528 1.00 31.33 H new ATOM 0 HG2 GLN A 128 -6.735 -18.021 -3.019 1.00 64.24 H new ATOM 0 HG3 GLN A 128 -5.554 -17.583 -4.237 1.00 64.24 H new ATOM 0 HE21 GLN A 128 -3.338 -17.644 -3.752 1.00 30.25 H new ATOM 0 HE22 GLN A 128 -2.738 -18.446 -2.296 1.00 30.25 H new ATOM 1848 N TRP A 129 -5.845 -12.835 -4.172 1.00 21.54 N ATOM 1849 CA TRP A 129 -6.357 -11.473 -4.085 1.00 11.12 C ATOM 1850 C TRP A 129 -7.693 -11.386 -3.427 1.00 44.11 C ATOM 1851 O TRP A 129 -7.920 -10.477 -2.651 1.00 34.42 O ATOM 1852 CB TRP A 129 -6.291 -10.690 -5.420 1.00 3.33 C ATOM 1853 CG TRP A 129 -7.036 -9.373 -5.382 1.00 1.10 C ATOM 1854 CD1 TRP A 129 -8.252 -9.116 -5.941 1.00 60.11 C ATOM 1855 CD2 TRP A 129 -6.641 -8.161 -4.720 1.00 25.33 C ATOM 1856 NE1 TRP A 129 -8.635 -7.832 -5.675 1.00 43.20 N ATOM 1857 CE2 TRP A 129 -7.664 -7.221 -4.929 1.00 71.32 C ATOM 1858 CE3 TRP A 129 -5.528 -7.783 -3.979 1.00 41.34 C ATOM 1859 CZ2 TRP A 129 -7.604 -5.925 -4.414 1.00 63.51 C ATOM 1860 CZ3 TRP A 129 -5.467 -6.500 -3.470 1.00 11.22 C ATOM 1861 CH2 TRP A 129 -6.498 -5.587 -3.690 1.00 35.11 C ATOM 0 H TRP A 129 -5.691 -13.168 -5.124 1.00 21.54 H new ATOM 0 HA TRP A 129 -5.662 -10.960 -3.420 1.00 11.12 H new ATOM 0 HB2 TRP A 129 -5.247 -10.501 -5.671 1.00 3.33 H new ATOM 0 HB3 TRP A 129 -6.703 -11.309 -6.217 1.00 3.33 H new ATOM 0 HD1 TRP A 129 -8.831 -9.826 -6.513 1.00 60.11 H new ATOM 0 HE1 TRP A 129 -9.505 -7.398 -5.983 1.00 43.20 H new ATOM 0 HE3 TRP A 129 -4.723 -8.481 -3.804 1.00 41.34 H new ATOM 0 HZ2 TRP A 129 -8.402 -5.217 -4.582 1.00 63.51 H new ATOM 0 HZ3 TRP A 129 -4.606 -6.199 -2.892 1.00 11.22 H new ATOM 0 HH2 TRP A 129 -6.419 -4.592 -3.279 1.00 35.11 H new ATOM 1872 N GLU A 130 -8.553 -12.329 -3.683 1.00 54.30 N ATOM 1873 CA GLU A 130 -9.859 -12.307 -3.072 1.00 71.24 C ATOM 1874 C GLU A 130 -9.728 -12.364 -1.554 1.00 74.13 C ATOM 1875 O GLU A 130 -10.503 -11.771 -0.837 1.00 70.12 O ATOM 1876 CB GLU A 130 -10.688 -13.467 -3.566 1.00 1.43 C ATOM 1877 CG GLU A 130 -12.087 -13.503 -3.008 1.00 70.22 C ATOM 1878 CD GLU A 130 -12.859 -14.644 -3.557 1.00 54.45 C ATOM 1879 OE1 GLU A 130 -13.276 -14.563 -4.718 1.00 32.43 O ATOM 1880 OE2 GLU A 130 -13.031 -15.654 -2.852 1.00 24.14 O ATOM 0 H GLU A 130 -8.380 -13.119 -4.305 1.00 54.30 H new ATOM 0 HA GLU A 130 -10.359 -11.379 -3.348 1.00 71.24 H new ATOM 0 HB2 GLU A 130 -10.743 -13.424 -4.654 1.00 1.43 H new ATOM 0 HB3 GLU A 130 -10.182 -14.397 -3.309 1.00 1.43 H new ATOM 0 HG2 GLU A 130 -12.045 -13.579 -1.921 1.00 70.22 H new ATOM 0 HG3 GLU A 130 -12.598 -12.569 -3.243 1.00 70.22 H new ATOM 1887 N ASN A 131 -8.700 -13.042 -1.096 1.00 35.21 N ATOM 1888 CA ASN A 131 -8.482 -13.247 0.328 1.00 45.40 C ATOM 1889 C ASN A 131 -7.933 -11.982 0.933 1.00 34.12 C ATOM 1890 O ASN A 131 -8.408 -11.508 1.963 1.00 51.23 O ATOM 1891 CB ASN A 131 -7.532 -14.438 0.596 1.00 1.31 C ATOM 1892 CG ASN A 131 -8.035 -15.777 0.044 1.00 14.14 C ATOM 1893 OD1 ASN A 131 -8.711 -15.744 -1.086 1.00 22.40 O flip ATOM 1894 ND2 ASN A 131 -7.773 -16.829 0.610 1.00 1.02 N flip ATOM 0 H ASN A 131 -7.991 -13.468 -1.693 1.00 35.21 H new ATOM 0 HA ASN A 131 -9.437 -13.490 0.793 1.00 45.40 H new ATOM 0 HB2 ASN A 131 -6.559 -14.219 0.156 1.00 1.31 H new ATOM 0 HB3 ASN A 131 -7.382 -14.534 1.671 1.00 1.31 H new ATOM 0 HD21 ASN A 131 -7.248 -16.821 1.484 1.00 1.02 H new ATOM 0 HD22 ASN A 131 -8.080 -17.715 0.208 1.00 1.02 H new ATOM 1900 N VAL A 132 -6.935 -11.430 0.262 1.00 5.15 N ATOM 1901 CA VAL A 132 -6.297 -10.186 0.659 1.00 24.20 C ATOM 1902 C VAL A 132 -7.319 -9.064 0.660 1.00 61.53 C ATOM 1903 O VAL A 132 -7.484 -8.365 1.649 1.00 30.04 O ATOM 1904 CB VAL A 132 -5.145 -9.837 -0.315 1.00 50.42 C ATOM 1905 CG1 VAL A 132 -4.478 -8.511 0.053 1.00 64.45 C ATOM 1906 CG2 VAL A 132 -4.128 -10.962 -0.337 1.00 61.02 C ATOM 0 H VAL A 132 -6.540 -11.839 -0.585 1.00 5.15 H new ATOM 0 HA VAL A 132 -5.887 -10.307 1.662 1.00 24.20 H new ATOM 0 HB VAL A 132 -5.568 -9.720 -1.313 1.00 50.42 H new ATOM 0 HG11 VAL A 132 -3.675 -8.300 -0.653 1.00 64.45 H new ATOM 0 HG12 VAL A 132 -5.216 -7.709 0.014 1.00 64.45 H new ATOM 0 HG13 VAL A 132 -4.068 -8.577 1.061 1.00 64.45 H new ATOM 0 HG21 VAL A 132 -3.321 -10.709 -1.024 1.00 61.02 H new ATOM 0 HG22 VAL A 132 -3.721 -11.104 0.664 1.00 61.02 H new ATOM 0 HG23 VAL A 132 -4.610 -11.882 -0.667 1.00 61.02 H new ATOM 1912 N SER A 133 -8.021 -8.936 -0.446 1.00 50.12 N ATOM 1913 CA SER A 133 -9.041 -7.936 -0.623 1.00 51.13 C ATOM 1914 C SER A 133 -10.136 -8.086 0.457 1.00 2.31 C ATOM 1915 O SER A 133 -10.522 -7.103 1.089 1.00 1.25 O ATOM 1916 CB SER A 133 -9.598 -8.038 -2.065 1.00 51.51 C ATOM 1917 OG SER A 133 -10.611 -7.092 -2.345 1.00 73.34 O ATOM 0 H SER A 133 -7.893 -9.538 -1.260 1.00 50.12 H new ATOM 0 HA SER A 133 -8.623 -6.938 -0.496 1.00 51.13 H new ATOM 0 HB2 SER A 133 -8.780 -7.903 -2.773 1.00 51.51 H new ATOM 0 HB3 SER A 133 -9.994 -9.041 -2.223 1.00 51.51 H new ATOM 0 HG SER A 133 -10.665 -6.947 -3.313 1.00 73.34 H new ATOM 1923 N ALA A 134 -10.578 -9.333 0.706 1.00 2.00 N ATOM 1924 CA ALA A 134 -11.582 -9.611 1.741 1.00 13.14 C ATOM 1925 C ALA A 134 -11.083 -9.195 3.112 1.00 74.33 C ATOM 1926 O ALA A 134 -11.842 -8.656 3.929 1.00 61.23 O ATOM 1927 CB ALA A 134 -11.967 -11.084 1.748 1.00 12.31 C ATOM 0 H ALA A 134 -10.254 -10.160 0.204 1.00 2.00 H new ATOM 0 HA ALA A 134 -12.469 -9.023 1.504 1.00 13.14 H new ATOM 0 HB1 ALA A 134 -12.712 -11.262 2.524 1.00 12.31 H new ATOM 0 HB2 ALA A 134 -12.382 -11.356 0.778 1.00 12.31 H new ATOM 0 HB3 ALA A 134 -11.083 -11.690 1.948 1.00 12.31 H new ATOM 1933 N MET A 135 -9.807 -9.433 3.354 1.00 14.41 N ATOM 1934 CA MET A 135 -9.164 -9.059 4.595 1.00 50.14 C ATOM 1935 C MET A 135 -9.160 -7.543 4.733 1.00 52.43 C ATOM 1936 O MET A 135 -9.554 -7.010 5.764 1.00 71.52 O ATOM 1937 CB MET A 135 -7.729 -9.593 4.631 1.00 41.54 C ATOM 1938 CG MET A 135 -6.969 -9.253 5.901 1.00 23.23 C ATOM 1939 SD MET A 135 -5.241 -9.770 5.840 1.00 23.13 S ATOM 1940 CE MET A 135 -5.397 -11.535 5.661 1.00 42.43 C ATOM 0 H MET A 135 -9.186 -9.894 2.689 1.00 14.41 H new ATOM 0 HA MET A 135 -9.718 -9.494 5.427 1.00 50.14 H new ATOM 0 HB2 MET A 135 -7.754 -10.677 4.515 1.00 41.54 H new ATOM 0 HB3 MET A 135 -7.183 -9.193 3.776 1.00 41.54 H new ATOM 0 HG2 MET A 135 -7.016 -8.177 6.070 1.00 23.23 H new ATOM 0 HG3 MET A 135 -7.457 -9.731 6.750 1.00 23.23 H new ATOM 0 HE1 MET A 135 -4.619 -12.030 6.243 1.00 42.43 H new ATOM 0 HE2 MET A 135 -6.376 -11.852 6.020 1.00 42.43 H new ATOM 0 HE3 MET A 135 -5.291 -11.805 4.610 1.00 42.43 H new ATOM 1950 N ILE A 136 -8.737 -6.860 3.672 1.00 31.14 N ATOM 1951 CA ILE A 136 -8.692 -5.410 3.629 1.00 10.14 C ATOM 1952 C ILE A 136 -10.083 -4.819 3.921 1.00 53.25 C ATOM 1953 O ILE A 136 -10.206 -3.837 4.673 1.00 14.04 O ATOM 1954 CB ILE A 136 -8.167 -4.914 2.252 1.00 41.22 C ATOM 1955 CG1 ILE A 136 -6.728 -5.398 2.012 1.00 32.12 C ATOM 1956 CG2 ILE A 136 -8.233 -3.405 2.160 1.00 70.35 C ATOM 1957 CD1 ILE A 136 -6.155 -5.013 0.659 1.00 5.12 C ATOM 0 H ILE A 136 -8.414 -7.306 2.813 1.00 31.14 H new ATOM 0 HA ILE A 136 -8.001 -5.067 4.400 1.00 10.14 H new ATOM 0 HB ILE A 136 -8.809 -5.334 1.478 1.00 41.22 H new ATOM 0 HG12 ILE A 136 -6.086 -4.992 2.794 1.00 32.12 H new ATOM 0 HG13 ILE A 136 -6.702 -6.483 2.109 1.00 32.12 H new ATOM 0 HG21 ILE A 136 -7.860 -3.083 1.188 1.00 70.35 H new ATOM 0 HG22 ILE A 136 -9.266 -3.078 2.279 1.00 70.35 H new ATOM 0 HG23 ILE A 136 -7.620 -2.965 2.947 1.00 70.35 H new ATOM 0 HD11 ILE A 136 -5.137 -5.394 0.573 1.00 5.12 H new ATOM 0 HD12 ILE A 136 -6.771 -5.441 -0.132 1.00 5.12 H new ATOM 0 HD13 ILE A 136 -6.145 -3.927 0.564 1.00 5.12 H new ATOM 1964 N GLU A 137 -11.121 -5.443 3.348 1.00 33.41 N ATOM 1965 CA GLU A 137 -12.508 -5.037 3.579 1.00 71.53 C ATOM 1966 C GLU A 137 -12.838 -5.018 5.061 1.00 33.30 C ATOM 1967 O GLU A 137 -13.477 -4.101 5.540 1.00 13.12 O ATOM 1968 CB GLU A 137 -13.490 -5.990 2.909 1.00 41.30 C ATOM 1969 CG GLU A 137 -13.418 -6.074 1.408 1.00 64.44 C ATOM 1970 CD GLU A 137 -14.446 -7.031 0.880 1.00 72.33 C ATOM 1971 OE1 GLU A 137 -14.170 -8.250 0.806 1.00 42.24 O ATOM 1972 OE2 GLU A 137 -15.565 -6.590 0.556 1.00 31.33 O ATOM 0 H GLU A 137 -11.021 -6.238 2.716 1.00 33.41 H new ATOM 0 HA GLU A 137 -12.604 -4.038 3.154 1.00 71.53 H new ATOM 0 HB2 GLU A 137 -13.330 -6.988 3.316 1.00 41.30 H new ATOM 0 HB3 GLU A 137 -14.501 -5.691 3.187 1.00 41.30 H new ATOM 0 HG2 GLU A 137 -13.578 -5.086 0.976 1.00 64.44 H new ATOM 0 HG3 GLU A 137 -12.423 -6.398 1.104 1.00 64.44 H new ATOM 1979 N GLU A 138 -12.398 -6.042 5.770 1.00 73.12 N ATOM 1980 CA GLU A 138 -12.691 -6.191 7.189 1.00 4.44 C ATOM 1981 C GLU A 138 -11.822 -5.272 8.036 1.00 63.42 C ATOM 1982 O GLU A 138 -12.293 -4.641 8.989 1.00 21.05 O ATOM 1983 CB GLU A 138 -12.486 -7.637 7.612 1.00 52.44 C ATOM 1984 CG GLU A 138 -13.332 -8.617 6.832 1.00 10.31 C ATOM 1985 CD GLU A 138 -13.142 -10.029 7.285 1.00 42.50 C ATOM 1986 OE1 GLU A 138 -13.834 -10.451 8.226 1.00 65.33 O ATOM 1987 OE2 GLU A 138 -12.318 -10.750 6.694 1.00 63.21 O ATOM 0 H GLU A 138 -11.828 -6.794 5.382 1.00 73.12 H new ATOM 0 HA GLU A 138 -13.732 -5.910 7.349 1.00 4.44 H new ATOM 0 HB2 GLU A 138 -11.435 -7.898 7.489 1.00 52.44 H new ATOM 0 HB3 GLU A 138 -12.717 -7.734 8.673 1.00 52.44 H new ATOM 0 HG2 GLU A 138 -14.383 -8.345 6.933 1.00 10.31 H new ATOM 0 HG3 GLU A 138 -13.084 -8.543 5.773 1.00 10.31 H new ATOM 1994 N VAL A 139 -10.566 -5.196 7.680 1.00 62.00 N ATOM 1995 CA VAL A 139 -9.613 -4.370 8.391 1.00 74.04 C ATOM 1996 C VAL A 139 -10.006 -2.887 8.354 1.00 53.12 C ATOM 1997 O VAL A 139 -10.045 -2.227 9.392 1.00 5.21 O ATOM 1998 CB VAL A 139 -8.158 -4.562 7.841 1.00 44.12 C ATOM 1999 CG1 VAL A 139 -7.181 -3.597 8.499 1.00 4.21 C ATOM 2000 CG2 VAL A 139 -7.689 -5.993 8.071 1.00 74.43 C ATOM 0 H VAL A 139 -10.170 -5.704 6.889 1.00 62.00 H new ATOM 0 HA VAL A 139 -9.630 -4.698 9.430 1.00 74.04 H new ATOM 0 HB VAL A 139 -8.182 -4.352 6.772 1.00 44.12 H new ATOM 0 HG11 VAL A 139 -6.182 -3.758 8.094 1.00 4.21 H new ATOM 0 HG12 VAL A 139 -7.492 -2.572 8.300 1.00 4.21 H new ATOM 0 HG13 VAL A 139 -7.168 -3.770 9.575 1.00 4.21 H new ATOM 0 HG21 VAL A 139 -6.677 -6.111 7.684 1.00 74.43 H new ATOM 0 HG22 VAL A 139 -7.697 -6.211 9.139 1.00 74.43 H new ATOM 0 HG23 VAL A 139 -8.357 -6.682 7.555 1.00 74.43 H new ATOM 2006 N PHE A 140 -10.311 -2.385 7.180 1.00 54.52 N ATOM 2007 CA PHE A 140 -10.596 -0.962 7.002 1.00 74.43 C ATOM 2008 C PHE A 140 -12.098 -0.611 6.997 1.00 44.32 C ATOM 2009 O PHE A 140 -12.449 0.546 6.745 1.00 34.53 O ATOM 2010 CB PHE A 140 -9.943 -0.454 5.711 1.00 70.22 C ATOM 2011 CG PHE A 140 -8.440 -0.530 5.704 1.00 42.50 C ATOM 2012 CD1 PHE A 140 -7.788 -1.696 5.342 1.00 2.43 C ATOM 2013 CD2 PHE A 140 -7.682 0.571 6.051 1.00 52.05 C ATOM 2014 CE1 PHE A 140 -6.410 -1.763 5.326 1.00 72.21 C ATOM 2015 CE2 PHE A 140 -6.303 0.512 6.037 1.00 74.42 C ATOM 2016 CZ PHE A 140 -5.667 -0.657 5.675 1.00 2.21 C ATOM 0 H PHE A 140 -10.371 -2.936 6.324 1.00 54.52 H new ATOM 0 HA PHE A 140 -10.171 -0.463 7.873 1.00 74.43 H new ATOM 0 HB2 PHE A 140 -10.328 -1.033 4.871 1.00 70.22 H new ATOM 0 HB3 PHE A 140 -10.243 0.581 5.549 1.00 70.22 H new ATOM 0 HD1 PHE A 140 -8.366 -2.566 5.068 1.00 2.43 H new ATOM 0 HD2 PHE A 140 -8.174 1.489 6.337 1.00 52.05 H new ATOM 0 HE1 PHE A 140 -5.916 -2.680 5.041 1.00 72.21 H new ATOM 0 HE2 PHE A 140 -5.722 1.381 6.309 1.00 74.42 H new ATOM 0 HZ PHE A 140 -4.588 -0.705 5.665 1.00 2.21 H new ATOM 2026 N GLU A 141 -12.972 -1.567 7.306 1.00 41.24 N ATOM 2027 CA GLU A 141 -14.434 -1.338 7.191 1.00 74.12 C ATOM 2028 C GLU A 141 -14.957 -0.174 8.028 1.00 0.14 C ATOM 2029 O GLU A 141 -15.783 0.608 7.568 1.00 71.14 O ATOM 2030 CB GLU A 141 -15.262 -2.612 7.430 1.00 21.43 C ATOM 2031 CG GLU A 141 -15.084 -3.253 8.792 1.00 75.33 C ATOM 2032 CD GLU A 141 -15.926 -4.487 8.958 1.00 45.34 C ATOM 2033 OE1 GLU A 141 -17.094 -4.361 9.364 1.00 62.14 O ATOM 2034 OE2 GLU A 141 -15.434 -5.597 8.701 1.00 45.41 O ATOM 0 H GLU A 141 -12.712 -2.497 7.634 1.00 41.24 H new ATOM 0 HA GLU A 141 -14.572 -1.045 6.150 1.00 74.12 H new ATOM 0 HB2 GLU A 141 -16.316 -2.371 7.295 1.00 21.43 H new ATOM 0 HB3 GLU A 141 -15.002 -3.344 6.665 1.00 21.43 H new ATOM 0 HG2 GLU A 141 -14.035 -3.510 8.935 1.00 75.33 H new ATOM 0 HG3 GLU A 141 -15.344 -2.532 9.567 1.00 75.33 H new ATOM 2041 N ALA A 142 -14.455 -0.036 9.211 1.00 62.21 N ATOM 2042 CA ALA A 142 -14.931 0.997 10.125 1.00 31.24 C ATOM 2043 C ALA A 142 -14.171 2.311 9.960 1.00 64.44 C ATOM 2044 O ALA A 142 -14.380 3.267 10.729 1.00 50.13 O ATOM 2045 CB ALA A 142 -14.834 0.514 11.559 1.00 1.41 C ATOM 0 H ALA A 142 -13.709 -0.622 9.586 1.00 62.21 H new ATOM 0 HA ALA A 142 -15.974 1.192 9.877 1.00 31.24 H new ATOM 0 HB1 ALA A 142 -15.192 1.294 12.231 1.00 1.41 H new ATOM 0 HB2 ALA A 142 -15.444 -0.381 11.684 1.00 1.41 H new ATOM 0 HB3 ALA A 142 -13.796 0.281 11.795 1.00 1.41 H new ATOM 2051 N THR A 143 -13.317 2.387 8.969 1.00 54.22 N ATOM 2052 CA THR A 143 -12.530 3.575 8.785 1.00 61.31 C ATOM 2053 C THR A 143 -12.928 4.337 7.528 1.00 51.45 C ATOM 2054 O THR A 143 -13.565 3.779 6.622 1.00 34.42 O ATOM 2055 CB THR A 143 -11.016 3.270 8.775 1.00 72.23 C ATOM 2056 OG1 THR A 143 -10.692 2.344 7.732 1.00 71.22 O ATOM 2057 CG2 THR A 143 -10.583 2.689 10.106 1.00 32.24 C ATOM 0 H THR A 143 -13.152 1.648 8.286 1.00 54.22 H new ATOM 0 HA THR A 143 -12.739 4.214 9.643 1.00 61.31 H new ATOM 0 HB THR A 143 -10.489 4.208 8.599 1.00 72.23 H new ATOM 0 HG1 THR A 143 -11.479 1.799 7.522 1.00 71.22 H new ATOM 0 HG21 THR A 143 -9.513 2.480 10.081 1.00 32.24 H new ATOM 0 HG22 THR A 143 -10.795 3.404 10.901 1.00 32.24 H new ATOM 0 HG23 THR A 143 -11.129 1.765 10.294 1.00 32.24 H new ATOM 2063 N ASP A 144 -12.539 5.602 7.480 1.00 3.11 N ATOM 2064 CA ASP A 144 -12.837 6.492 6.349 1.00 62.41 C ATOM 2065 C ASP A 144 -11.733 6.410 5.328 1.00 73.02 C ATOM 2066 O ASP A 144 -11.687 7.190 4.373 1.00 52.12 O ATOM 2067 CB ASP A 144 -12.962 7.950 6.821 1.00 3.40 C ATOM 2068 CG ASP A 144 -14.084 8.177 7.800 1.00 60.23 C ATOM 2069 OD1 ASP A 144 -13.886 7.917 9.031 1.00 55.40 O ATOM 2070 OD2 ASP A 144 -15.165 8.642 7.376 1.00 34.42 O ATOM 0 H ASP A 144 -12.005 6.050 8.224 1.00 3.11 H new ATOM 0 HA ASP A 144 -13.782 6.173 5.908 1.00 62.41 H new ATOM 0 HB2 ASP A 144 -12.023 8.255 7.282 1.00 3.40 H new ATOM 0 HB3 ASP A 144 -13.114 8.592 5.953 1.00 3.40 H new ATOM 2075 N ILE A 145 -10.841 5.474 5.538 1.00 5.51 N ATOM 2076 CA ILE A 145 -9.725 5.259 4.666 1.00 34.41 C ATOM 2077 C ILE A 145 -10.217 4.627 3.386 1.00 3.43 C ATOM 2078 O ILE A 145 -10.838 3.559 3.401 1.00 14.21 O ATOM 2079 CB ILE A 145 -8.672 4.344 5.331 1.00 64.23 C ATOM 2080 CG1 ILE A 145 -8.216 4.958 6.658 1.00 2.34 C ATOM 2081 CG2 ILE A 145 -7.473 4.134 4.397 1.00 34.32 C ATOM 2082 CD1 ILE A 145 -7.275 4.081 7.445 1.00 33.11 C ATOM 0 H ILE A 145 -10.875 4.834 6.332 1.00 5.51 H new ATOM 0 HA ILE A 145 -9.253 6.218 4.453 1.00 34.41 H new ATOM 0 HB ILE A 145 -9.124 3.372 5.527 1.00 64.23 H new ATOM 0 HG12 ILE A 145 -7.727 5.911 6.457 1.00 2.34 H new ATOM 0 HG13 ILE A 145 -9.093 5.173 7.268 1.00 2.34 H new ATOM 0 HG21 ILE A 145 -6.742 3.487 4.883 1.00 34.32 H new ATOM 0 HG22 ILE A 145 -7.810 3.669 3.471 1.00 34.32 H new ATOM 0 HG23 ILE A 145 -7.013 5.097 4.173 1.00 34.32 H new ATOM 0 HD11 ILE A 145 -6.997 4.584 8.371 1.00 33.11 H new ATOM 0 HD12 ILE A 145 -7.767 3.137 7.679 1.00 33.11 H new ATOM 0 HD13 ILE A 145 -6.379 3.887 6.855 1.00 33.11 H new ATOM 2089 N LYS A 146 -9.968 5.291 2.309 1.00 1.05 N ATOM 2090 CA LYS A 146 -10.372 4.829 1.022 1.00 12.44 C ATOM 2091 C LYS A 146 -9.275 4.043 0.429 1.00 24.03 C ATOM 2092 O LYS A 146 -8.116 4.461 0.456 1.00 22.44 O ATOM 2093 CB LYS A 146 -10.623 5.987 0.125 1.00 43.22 C ATOM 2094 CG LYS A 146 -11.701 6.917 0.589 1.00 43.42 C ATOM 2095 CD LYS A 146 -11.756 8.107 -0.321 1.00 40.12 C ATOM 2096 CE LYS A 146 -10.462 8.919 -0.242 1.00 21.24 C ATOM 2097 NZ LYS A 146 -10.476 10.082 -1.125 1.00 24.13 N ATOM 0 H LYS A 146 -9.472 6.182 2.296 1.00 1.05 H new ATOM 0 HA LYS A 146 -11.276 4.229 1.131 1.00 12.44 H new ATOM 0 HB2 LYS A 146 -9.697 6.552 0.016 1.00 43.22 H new ATOM 0 HB3 LYS A 146 -10.886 5.612 -0.864 1.00 43.22 H new ATOM 0 HG2 LYS A 146 -12.663 6.404 0.593 1.00 43.42 H new ATOM 0 HG3 LYS A 146 -11.505 7.237 1.613 1.00 43.42 H new ATOM 0 HD2 LYS A 146 -11.920 7.777 -1.347 1.00 40.12 H new ATOM 0 HD3 LYS A 146 -12.602 8.738 -0.049 1.00 40.12 H new ATOM 0 HE2 LYS A 146 -10.306 9.249 0.785 1.00 21.24 H new ATOM 0 HE3 LYS A 146 -9.619 8.279 -0.503 1.00 21.24 H new ATOM 0 HZ1 LYS A 146 -9.565 10.579 -1.059 1.00 24.13 H new ATOM 0 HZ2 LYS A 146 -10.631 9.772 -2.105 1.00 24.13 H new ATOM 0 HZ3 LYS A 146 -11.242 10.725 -0.840 1.00 24.13 H new ATOM 2111 N ILE A 147 -9.612 2.945 -0.122 1.00 14.44 N ATOM 2112 CA ILE A 147 -8.653 2.110 -0.742 1.00 12.12 C ATOM 2113 C ILE A 147 -8.950 1.940 -2.181 1.00 13.42 C ATOM 2114 O ILE A 147 -9.849 1.211 -2.594 1.00 71.13 O ATOM 2115 CB ILE A 147 -8.416 0.781 0.002 1.00 2.44 C ATOM 2116 CG1 ILE A 147 -7.708 1.110 1.309 1.00 73.04 C ATOM 2117 CG2 ILE A 147 -7.592 -0.197 -0.843 1.00 43.24 C ATOM 2118 CD1 ILE A 147 -7.363 -0.066 2.171 1.00 72.25 C ATOM 0 H ILE A 147 -10.569 2.593 -0.159 1.00 14.44 H new ATOM 0 HA ILE A 147 -7.693 2.622 -0.673 1.00 12.12 H new ATOM 0 HB ILE A 147 -9.368 0.287 0.199 1.00 2.44 H new ATOM 0 HG12 ILE A 147 -6.790 1.651 1.078 1.00 73.04 H new ATOM 0 HG13 ILE A 147 -8.340 1.786 1.884 1.00 73.04 H new ATOM 0 HG21 ILE A 147 -7.444 -1.123 -0.287 1.00 43.24 H new ATOM 0 HG22 ILE A 147 -8.122 -0.411 -1.771 1.00 43.24 H new ATOM 0 HG23 ILE A 147 -6.623 0.247 -1.072 1.00 43.24 H new ATOM 0 HD11 ILE A 147 -6.863 0.280 3.075 1.00 72.25 H new ATOM 0 HD12 ILE A 147 -8.275 -0.599 2.442 1.00 72.25 H new ATOM 0 HD13 ILE A 147 -6.700 -0.736 1.624 1.00 72.25 H new ATOM 2125 N THR A 148 -8.213 2.633 -2.932 1.00 24.53 N ATOM 2126 CA THR A 148 -8.370 2.637 -4.325 1.00 24.50 C ATOM 2127 C THR A 148 -7.233 1.815 -4.924 1.00 21.10 C ATOM 2128 O THR A 148 -6.053 2.121 -4.697 1.00 25.02 O ATOM 2129 CB THR A 148 -8.325 4.095 -4.834 1.00 45.14 C ATOM 2130 OG1 THR A 148 -9.263 4.894 -4.067 1.00 55.13 O ATOM 2131 CG2 THR A 148 -8.721 4.163 -6.295 1.00 12.31 C ATOM 0 H THR A 148 -7.461 3.232 -2.593 1.00 24.53 H new ATOM 0 HA THR A 148 -9.326 2.203 -4.618 1.00 24.50 H new ATOM 0 HB THR A 148 -7.309 4.473 -4.719 1.00 45.14 H new ATOM 0 HG1 THR A 148 -9.238 5.821 -4.384 1.00 55.13 H new ATOM 0 HG21 THR A 148 -8.683 5.198 -6.634 1.00 12.31 H new ATOM 0 HG22 THR A 148 -8.032 3.561 -6.887 1.00 12.31 H new ATOM 0 HG23 THR A 148 -9.734 3.779 -6.416 1.00 12.31 H new ATOM 2137 N VAL A 149 -7.570 0.765 -5.649 1.00 42.34 N ATOM 2138 CA VAL A 149 -6.553 -0.066 -6.220 1.00 25.51 C ATOM 2139 C VAL A 149 -6.405 0.276 -7.672 1.00 64.25 C ATOM 2140 O VAL A 149 -7.390 0.326 -8.432 1.00 72.44 O ATOM 2141 CB VAL A 149 -6.797 -1.617 -6.036 1.00 61.51 C ATOM 2142 CG1 VAL A 149 -7.056 -1.973 -4.591 1.00 4.31 C ATOM 2143 CG2 VAL A 149 -7.886 -2.174 -6.943 1.00 50.44 C ATOM 0 H VAL A 149 -8.528 0.478 -5.849 1.00 42.34 H new ATOM 0 HA VAL A 149 -5.632 0.142 -5.675 1.00 25.51 H new ATOM 0 HB VAL A 149 -5.869 -2.098 -6.346 1.00 61.51 H new ATOM 0 HG11 VAL A 149 -7.219 -3.047 -4.505 1.00 4.31 H new ATOM 0 HG12 VAL A 149 -6.196 -1.687 -3.986 1.00 4.31 H new ATOM 0 HG13 VAL A 149 -7.940 -1.442 -4.238 1.00 4.31 H new ATOM 0 HG21 VAL A 149 -7.999 -3.243 -6.762 1.00 50.44 H new ATOM 0 HG22 VAL A 149 -8.829 -1.669 -6.732 1.00 50.44 H new ATOM 0 HG23 VAL A 149 -7.611 -2.009 -7.985 1.00 50.44 H new ATOM 2149 N TYR A 150 -5.220 0.566 -8.044 1.00 52.44 N ATOM 2150 CA TYR A 150 -4.931 0.902 -9.386 1.00 4.20 C ATOM 2151 C TYR A 150 -4.467 -0.336 -10.082 1.00 21.54 C ATOM 2152 O TYR A 150 -3.515 -1.002 -9.656 1.00 14.24 O ATOM 2153 CB TYR A 150 -3.939 2.053 -9.446 1.00 41.22 C ATOM 2154 CG TYR A 150 -4.499 3.308 -8.792 1.00 63.22 C ATOM 2155 CD1 TYR A 150 -4.453 3.471 -7.415 1.00 61.31 C ATOM 2156 CD2 TYR A 150 -5.088 4.313 -9.548 1.00 12.41 C ATOM 2157 CE1 TYR A 150 -4.968 4.589 -6.809 1.00 50.14 C ATOM 2158 CE2 TYR A 150 -5.610 5.448 -8.940 1.00 23.22 C ATOM 2159 CZ TYR A 150 -5.542 5.574 -7.566 1.00 1.12 C ATOM 2160 OH TYR A 150 -6.039 6.701 -6.944 1.00 24.51 O ATOM 0 H TYR A 150 -4.412 0.578 -7.421 1.00 52.44 H new ATOM 0 HA TYR A 150 -5.818 1.264 -9.906 1.00 4.20 H new ATOM 0 HB2 TYR A 150 -3.014 1.764 -8.947 1.00 41.22 H new ATOM 0 HB3 TYR A 150 -3.688 2.264 -10.485 1.00 41.22 H new ATOM 0 HD1 TYR A 150 -4.002 2.701 -6.807 1.00 61.31 H new ATOM 0 HD2 TYR A 150 -5.141 4.211 -10.622 1.00 12.41 H new ATOM 0 HE1 TYR A 150 -4.920 4.692 -5.735 1.00 50.14 H new ATOM 0 HE2 TYR A 150 -6.065 6.225 -9.536 1.00 23.22 H new ATOM 0 HH TYR A 150 -5.456 6.946 -6.196 1.00 24.51 H new ATOM 2170 N THR A 151 -5.173 -0.666 -11.095 1.00 1.32 N ATOM 2171 CA THR A 151 -5.002 -1.887 -11.773 1.00 71.42 C ATOM 2172 C THR A 151 -4.455 -1.678 -13.184 1.00 51.35 C ATOM 2173 O THR A 151 -4.891 -0.769 -13.909 1.00 1.32 O ATOM 2174 CB THR A 151 -6.375 -2.586 -11.820 1.00 4.11 C ATOM 2175 OG1 THR A 151 -6.877 -2.710 -10.471 1.00 41.50 O ATOM 2176 CG2 THR A 151 -6.281 -3.954 -12.416 1.00 13.11 C ATOM 0 H THR A 151 -5.907 -0.075 -11.485 1.00 1.32 H new ATOM 0 HA THR A 151 -4.272 -2.502 -11.246 1.00 71.42 H new ATOM 0 HB THR A 151 -7.040 -1.985 -12.441 1.00 4.11 H new ATOM 0 HG1 THR A 151 -7.825 -2.956 -10.496 1.00 41.50 H new ATOM 0 HG21 THR A 151 -7.270 -4.413 -12.431 1.00 13.11 H new ATOM 0 HG22 THR A 151 -5.899 -3.882 -13.434 1.00 13.11 H new ATOM 0 HG23 THR A 151 -5.606 -4.566 -11.818 1.00 13.11 H new ATOM 2182 N LEU A 152 -3.494 -2.505 -13.539 1.00 74.21 N ATOM 2183 CA LEU A 152 -2.908 -2.529 -14.852 1.00 11.01 C ATOM 2184 C LEU A 152 -3.022 -3.937 -15.392 1.00 44.03 C ATOM 2185 O LEU A 152 -3.869 -4.188 -16.280 1.00 37.45 O ATOM 2186 CB LEU A 152 -1.422 -2.087 -14.850 1.00 11.11 C ATOM 2187 CG LEU A 152 -1.123 -0.653 -14.437 1.00 23.51 C ATOM 2188 CD1 LEU A 152 0.355 -0.348 -14.611 1.00 62.04 C ATOM 2189 CD2 LEU A 152 -1.960 0.301 -15.237 1.00 24.12 C ATOM 2190 OXT LEU A 152 -2.308 -4.820 -14.885 1.00 37.45 O ATOM 0 H LEU A 152 -3.093 -3.194 -12.903 1.00 74.21 H new ATOM 0 HA LEU A 152 -3.445 -1.819 -15.481 1.00 11.01 H new ATOM 0 HB2 LEU A 152 -0.873 -2.752 -14.183 1.00 11.11 H new ATOM 0 HB3 LEU A 152 -1.023 -2.240 -15.853 1.00 11.11 H new ATOM 0 HG LEU A 152 -1.374 -0.532 -13.383 1.00 23.51 H new ATOM 0 HD11 LEU A 152 0.552 0.681 -14.311 1.00 62.04 H new ATOM 0 HD12 LEU A 152 0.942 -1.025 -13.990 1.00 62.04 H new ATOM 0 HD13 LEU A 152 0.633 -0.481 -15.656 1.00 62.04 H new ATOM 0 HD21 LEU A 152 -1.737 1.324 -14.933 1.00 24.12 H new ATOM 0 HD22 LEU A 152 -1.736 0.181 -16.297 1.00 24.12 H new ATOM 0 HD23 LEU A 152 -3.016 0.092 -15.063 1.00 24.12 H new TER 2198 LEU A 152 HETATM 2199 N1 APR A 186 0.757 1.085 -11.243 1.00 32.45 N HETATM 2200 C2 APR A 186 -0.360 0.355 -11.189 1.00 41.03 C HETATM 2201 N3 APR A 186 -0.320 -0.958 -11.380 1.00 24.01 N HETATM 2202 C4 APR A 186 0.843 -1.577 -11.631 1.00 23.44 C HETATM 2203 C5 APR A 186 1.997 -0.858 -11.688 1.00 2.23 C HETATM 2204 C6 APR A 186 1.941 0.502 -11.486 1.00 13.25 C HETATM 2205 N6 APR A 186 3.042 1.229 -11.530 1.00 21.43 N HETATM 2206 N7 APR A 186 2.992 -1.695 -11.952 1.00 24.13 N HETATM 2207 C8 APR A 186 2.469 -2.924 -12.063 1.00 24.31 C HETATM 2208 N9 APR A 186 1.138 -2.834 -11.867 1.00 53.31 N HETATM 2209 C1' APR A 186 0.128 -3.958 -11.941 1.00 73.44 C HETATM 2210 C2' APR A 186 0.836 -5.265 -12.457 1.00 64.03 C HETATM 2211 O2' APR A 186 0.005 -5.964 -13.329 1.00 25.44 O HETATM 2212 C3' APR A 186 1.078 -6.078 -11.155 1.00 31.32 C HETATM 2213 O3' APR A 186 0.436 -7.310 -11.221 1.00 73.20 O HETATM 2214 O4' APR A 186 -0.447 -4.255 -10.679 1.00 3.31 O HETATM 2215 C4' APR A 186 0.445 -5.172 -10.024 1.00 72.41 C HETATM 2216 C5' APR A 186 1.566 -4.461 -9.234 1.00 64.34 C HETATM 2217 O5' APR A 186 1.587 -4.904 -7.861 1.00 61.32 O HETATM 2218 PA APR A 186 2.111 -6.392 -7.484 1.00 1.11 P HETATM 2219 O1A APR A 186 3.596 -6.531 -7.494 1.00 23.54 O HETATM 2220 O2A APR A 186 1.420 -7.403 -8.536 1.00 71.05 O HETATM 2221 O3A APR A 186 1.489 -6.759 -6.049 1.00 4.00 O HETATM 2222 PB APR A 186 2.393 -6.694 -4.719 1.00 72.21 P HETATM 2223 O1B APR A 186 1.716 -7.236 -3.510 1.00 33.02 O HETATM 2224 O2B APR A 186 2.800 -5.136 -4.498 1.00 52.21 O HETATM 2225 O5D APR A 186 3.757 -7.471 -5.029 1.00 74.22 O HETATM 2226 C5D APR A 186 4.794 -7.469 -4.056 1.00 65.21 C HETATM 2227 O4D APR A 186 6.410 -9.087 -4.984 1.00 23.24 O HETATM 2228 O1D APR A 186 7.670 -7.050 -5.096 1.00 51.11 O HETATM 2229 C1D APR A 186 7.621 -8.419 -4.595 1.00 30.21 C HETATM 2230 O2D APR A 186 8.685 -9.278 -2.556 1.00 54.24 O HETATM 2231 C2D APR A 186 7.683 -8.420 -3.012 1.00 40.52 C HETATM 2232 O3D APR A 186 6.297 -10.223 -2.066 1.00 3.23 O HETATM 2233 C3D APR A 186 6.283 -8.941 -2.606 1.00 73.54 C HETATM 2234 C4D APR A 186 5.475 -8.863 -3.949 1.00 4.41 C HETATM 0 HR'4 APR A 186 4.679 -9.605 -4.008 1.00 4.41 H new HETATM 0 HR'3 APR A 186 5.843 -8.351 -1.802 1.00 73.54 H new HETATM 0 HR'2 APR A 186 7.915 -7.442 -2.590 1.00 40.52 H new HETATM 0 HR'1 APR A 186 8.476 -8.944 -5.022 1.00 30.21 H new HETATM 0 HOR3 APR A 186 5.384 -10.489 -1.831 1.00 3.23 H new HETATM 0 HOR2 APR A 186 8.279 -10.026 -2.071 1.00 54.24 H new HETATM 0 HOR1 APR A 186 8.507 -6.627 -4.811 1.00 51.11 H new HETATM 0 HO'3 APR A 186 0.936 -7.968 -10.694 1.00 73.20 H new HETATM 0 HO'2 APR A 186 -0.218 -6.835 -12.940 1.00 25.44 H new HETATM 0 H5R2 APR A 186 5.539 -6.718 -4.318 1.00 65.21 H new HETATM 0 H5R1 APR A 186 4.384 -7.187 -3.086 1.00 65.21 H new HETATM 0 H5'2 APR A 186 2.530 -4.663 -9.701 1.00 64.34 H new HETATM 0 H5'1 APR A 186 1.414 -3.382 -9.270 1.00 64.34 H new HETATM 0 H8 APR A 186 3.024 -3.838 -12.275 1.00 24.31 H new HETATM 0 H62 APR A 186 3.941 0.783 -11.715 1.00 21.43 H new HETATM 0 H61 APR A 186 2.994 2.237 -11.379 1.00 21.43 H new HETATM 0 H2 APR A 186 -1.314 0.842 -10.986 1.00 41.03 H new HETATM 0 H'4 APR A 186 -0.115 -5.755 -9.293 1.00 72.41 H new HETATM 0 H'3 APR A 186 2.131 -6.296 -10.979 1.00 31.32 H new HETATM 0 H'2 APR A 186 1.752 -5.065 -13.012 1.00 64.03 H new HETATM 0 H'1 APR A 186 -0.661 -3.629 -12.618 1.00 73.44 H new