USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 ASN : amide:sc= -0.616 K(o=0.58,f=-4.7!) USER MOD Set 1.2: A 123 LYS NZ :NH3+ -163:sc= 1.19 (180deg=1.09) USER MOD Set 2.1: A 117 HIS : no HE2:sc= 0.788 K(o=1.8,f=-4.9!) USER MOD Set 2.2: A 120 THR OG1 : rot -102:sc= 1.05 USER MOD Set 3.1: A 66 TYR OH : rot -163:sc= -0.491 USER MOD Set 3.2: A 103 GLN : amide:sc= -4 K(o=-4.5,f=-5!) USER MOD Set 4.1: A 31 SER OG : rot -36:sc= 1.49 USER MOD Set 4.2: A 53 SER OG : rot 70:sc= -0.162 USER MOD Set 5.1: A 7 HIS : no HE2:sc= 1.02 K(o=3.3,f=-7.8!) USER MOD Set 5.2: A 42 SER OG : rot 175:sc= 2.24 USER MOD Set 6.1: A 2 HIS : no HE2:sc= 0.728 K(o=1.2,f=-5!) USER MOD Set 6.2: A 4 HIS : no HE2:sc= -0.81 X(o=1.2,f=0.97) USER MOD Set 6.3: A 125 SER OG : rot -90:sc= 1.26 USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.144 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.3) USER MOD Single : A 5 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.12 K(o=-0.12,f=-1.1) USER MOD Single : A 13 HIS : no HD1:sc= 0.654 K(o=0.65,f=-3.5!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.0601 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 140:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0.287 (180deg=0.242) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 160:sc= -2.75 (180deg=-4.51!) USER MOD Single : A 41 CYS SG : rot -10:sc= 0.241 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.13 F(o=-1.1,f=-0.13) USER MOD Single : A 47 THR OG1 : rot -71:sc= 1.23 USER MOD Single : A 52 TYR OH : rot -5:sc= -0.0495! USER MOD Single : A 56 HIS : no HE2:sc= -0.209 K(o=-0.21,f=-0.92) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.49! C(o=-3.1!,f=-2.5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc=-0.00489 (180deg=-0.12) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0.283 USER MOD Single : A 74 LYS NZ :NH3+ -164:sc= -0.0474 (180deg=-0.315) USER MOD Single : A 78 ASN : amide:sc= -0.559 K(o=-0.56,f=-5!) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 86 GLN : amide:sc= 0.792 K(o=0.79,f=-5.8!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0483 X(o=-0.048,f=-0.48) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 150:sc= 1.22 (180deg=-0.367!) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.691 -16.269 -7.412 1.00 32.00 N ATOM 2 CA GLY A 1 -29.616 -15.066 -8.233 1.00 54.12 C ATOM 3 C GLY A 1 -28.361 -14.313 -7.942 1.00 73.34 C ATOM 4 O GLY A 1 -27.487 -14.817 -7.228 1.00 3.24 O ATOM 0 H1 GLY A 1 -29.906 -17.088 -8.015 1.00 32.00 H new ATOM 0 H2 GLY A 1 -28.780 -16.420 -6.934 1.00 32.00 H new ATOM 0 H3 GLY A 1 -30.441 -16.157 -6.700 1.00 32.00 H new ATOM 0 HA2 GLY A 1 -29.649 -15.336 -9.288 1.00 54.12 H new ATOM 0 HA3 GLY A 1 -30.481 -14.432 -8.039 1.00 54.12 H new ATOM 10 N HIS A 2 -28.255 -13.115 -8.466 1.00 2.10 N ATOM 11 CA HIS A 2 -27.080 -12.303 -8.261 1.00 21.02 C ATOM 12 C HIS A 2 -27.464 -10.846 -8.081 1.00 5.14 C ATOM 13 O HIS A 2 -27.695 -10.134 -9.051 1.00 53.43 O ATOM 14 CB HIS A 2 -26.076 -12.469 -9.431 1.00 51.33 C ATOM 15 CG HIS A 2 -24.818 -11.643 -9.304 1.00 52.01 C ATOM 16 ND1 HIS A 2 -23.717 -12.063 -8.612 1.00 65.42 N ATOM 17 CD2 HIS A 2 -24.503 -10.415 -9.789 1.00 65.42 C ATOM 18 CE1 HIS A 2 -22.783 -11.144 -8.667 1.00 3.10 C ATOM 19 NE2 HIS A 2 -23.231 -10.136 -9.373 1.00 1.13 N ATOM 0 H HIS A 2 -28.975 -12.679 -9.042 1.00 2.10 H new ATOM 0 HA HIS A 2 -26.588 -12.643 -7.350 1.00 21.02 H new ATOM 0 HB2 HIS A 2 -25.798 -13.520 -9.507 1.00 51.33 H new ATOM 0 HB3 HIS A 2 -26.577 -12.203 -10.362 1.00 51.33 H new ATOM 0 HD1 HIS A 2 -23.634 -12.956 -8.126 1.00 65.42 H new ATOM 0 HD2 HIS A 2 -25.137 -9.779 -10.389 1.00 65.42 H new ATOM 0 HE1 HIS A 2 -21.808 -11.208 -8.207 1.00 3.10 H new ATOM 28 N HIS A 3 -27.576 -10.429 -6.851 1.00 0.52 N ATOM 29 CA HIS A 3 -27.869 -9.049 -6.531 1.00 11.02 C ATOM 30 C HIS A 3 -27.244 -8.654 -5.203 1.00 53.10 C ATOM 31 O HIS A 3 -27.832 -8.837 -4.136 1.00 1.43 O ATOM 32 CB HIS A 3 -29.388 -8.706 -6.596 1.00 73.41 C ATOM 33 CG HIS A 3 -30.279 -9.494 -5.673 1.00 31.43 C ATOM 34 ND1 HIS A 3 -30.786 -8.984 -4.503 1.00 52.13 N ATOM 35 CD2 HIS A 3 -30.770 -10.748 -5.772 1.00 60.44 C ATOM 36 CE1 HIS A 3 -31.547 -9.889 -3.927 1.00 60.11 C ATOM 37 NE2 HIS A 3 -31.555 -10.963 -4.675 1.00 74.31 N ATOM 0 H HIS A 3 -27.468 -11.033 -6.036 1.00 0.52 H new ATOM 0 HA HIS A 3 -27.408 -8.443 -7.311 1.00 11.02 H new ATOM 0 HB2 HIS A 3 -29.512 -7.646 -6.372 1.00 73.41 H new ATOM 0 HB3 HIS A 3 -29.732 -8.858 -7.619 1.00 73.41 H new ATOM 0 HD2 HIS A 3 -30.578 -11.450 -6.570 1.00 60.44 H new ATOM 0 HE1 HIS A 3 -32.076 -9.766 -2.994 1.00 60.11 H new ATOM 0 HE2 HIS A 3 -32.065 -11.822 -4.471 1.00 74.31 H new ATOM 46 N HIS A 4 -26.010 -8.208 -5.294 1.00 34.43 N ATOM 47 CA HIS A 4 -25.221 -7.699 -4.179 1.00 14.31 C ATOM 48 C HIS A 4 -23.832 -7.320 -4.669 1.00 14.41 C ATOM 49 O HIS A 4 -22.944 -8.161 -4.800 1.00 31.32 O ATOM 50 CB HIS A 4 -25.144 -8.660 -2.939 1.00 32.15 C ATOM 51 CG HIS A 4 -24.551 -10.023 -3.188 1.00 20.32 C ATOM 52 ND1 HIS A 4 -23.288 -10.369 -2.800 1.00 70.32 N ATOM 53 CD2 HIS A 4 -25.072 -11.122 -3.773 1.00 25.05 C ATOM 54 CE1 HIS A 4 -23.053 -11.614 -3.133 1.00 32.03 C ATOM 55 NE2 HIS A 4 -24.120 -12.101 -3.726 1.00 34.12 N ATOM 0 H HIS A 4 -25.503 -8.187 -6.179 1.00 34.43 H new ATOM 0 HA HIS A 4 -25.743 -6.816 -3.810 1.00 14.31 H new ATOM 0 HB2 HIS A 4 -24.559 -8.169 -2.161 1.00 32.15 H new ATOM 0 HB3 HIS A 4 -26.152 -8.792 -2.545 1.00 32.15 H new ATOM 0 HD1 HIS A 4 -22.629 -9.753 -2.324 1.00 70.32 H new ATOM 0 HD2 HIS A 4 -26.060 -11.211 -4.200 1.00 25.05 H new ATOM 0 HE1 HIS A 4 -22.134 -12.151 -2.950 1.00 32.03 H new ATOM 64 N HIS A 5 -23.686 -6.087 -5.032 1.00 44.41 N ATOM 65 CA HIS A 5 -22.410 -5.562 -5.427 1.00 34.23 C ATOM 66 C HIS A 5 -22.400 -4.111 -5.032 1.00 11.32 C ATOM 67 O HIS A 5 -22.500 -3.213 -5.866 1.00 51.31 O ATOM 68 CB HIS A 5 -22.149 -5.737 -6.947 1.00 63.43 C ATOM 69 CG HIS A 5 -20.715 -5.481 -7.386 1.00 34.22 C ATOM 70 ND1 HIS A 5 -19.964 -6.425 -8.043 1.00 41.41 N ATOM 71 CD2 HIS A 5 -19.917 -4.387 -7.287 1.00 3.13 C ATOM 72 CE1 HIS A 5 -18.777 -5.933 -8.323 1.00 71.23 C ATOM 73 NE2 HIS A 5 -18.717 -4.698 -7.875 1.00 61.42 N ATOM 0 H HIS A 5 -24.448 -5.410 -5.065 1.00 44.41 H new ATOM 0 HA HIS A 5 -21.608 -6.108 -4.931 1.00 34.23 H new ATOM 0 HB2 HIS A 5 -22.425 -6.752 -7.233 1.00 63.43 H new ATOM 0 HB3 HIS A 5 -22.807 -5.061 -7.494 1.00 63.43 H new ATOM 0 HD2 HIS A 5 -20.179 -3.445 -6.829 1.00 3.13 H new ATOM 0 HE1 HIS A 5 -17.983 -6.456 -8.836 1.00 71.23 H new ATOM 0 HE2 HIS A 5 -17.913 -4.075 -7.952 1.00 61.42 H new ATOM 82 N HIS A 6 -22.351 -3.891 -3.751 1.00 32.14 N ATOM 83 CA HIS A 6 -22.391 -2.555 -3.196 1.00 22.34 C ATOM 84 C HIS A 6 -21.014 -1.963 -3.094 1.00 25.33 C ATOM 85 O HIS A 6 -20.853 -0.760 -2.870 1.00 44.51 O ATOM 86 CB HIS A 6 -23.172 -2.496 -1.863 1.00 51.32 C ATOM 87 CG HIS A 6 -22.769 -3.499 -0.811 1.00 52.02 C ATOM 88 ND1 HIS A 6 -23.407 -4.706 -0.658 1.00 21.14 N ATOM 89 CD2 HIS A 6 -21.824 -3.456 0.158 1.00 33.33 C ATOM 90 CE1 HIS A 6 -22.885 -5.360 0.346 1.00 3.11 C ATOM 91 NE2 HIS A 6 -21.920 -4.632 0.867 1.00 31.34 N ATOM 0 H HIS A 6 -22.282 -4.631 -3.052 1.00 32.14 H new ATOM 0 HA HIS A 6 -22.950 -1.930 -3.892 1.00 22.34 H new ATOM 0 HB2 HIS A 6 -23.060 -1.496 -1.444 1.00 51.32 H new ATOM 0 HB3 HIS A 6 -24.231 -2.634 -2.080 1.00 51.32 H new ATOM 0 HD1 HIS A 6 -24.174 -5.042 -1.241 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -21.127 -2.651 0.340 1.00 33.33 H new ATOM 0 HE1 HIS A 6 -23.194 -6.336 0.691 1.00 3.11 H new ATOM 100 N HIS A 7 -20.026 -2.806 -3.238 1.00 63.32 N ATOM 101 CA HIS A 7 -18.653 -2.394 -3.322 1.00 5.22 C ATOM 102 C HIS A 7 -18.408 -1.699 -4.661 1.00 71.03 C ATOM 103 O HIS A 7 -17.999 -2.326 -5.633 1.00 5.43 O ATOM 104 CB HIS A 7 -17.712 -3.614 -3.133 1.00 60.41 C ATOM 105 CG HIS A 7 -16.234 -3.333 -3.237 1.00 34.21 C ATOM 106 ND1 HIS A 7 -15.467 -2.974 -2.165 1.00 63.54 N ATOM 107 CD2 HIS A 7 -15.389 -3.410 -4.288 1.00 64.41 C ATOM 108 CE1 HIS A 7 -14.215 -2.844 -2.543 1.00 50.10 C ATOM 109 NE2 HIS A 7 -14.137 -3.104 -3.825 1.00 31.33 N ATOM 0 H HIS A 7 -20.157 -3.816 -3.301 1.00 63.32 H new ATOM 0 HA HIS A 7 -18.435 -1.685 -2.524 1.00 5.22 H new ATOM 0 HB2 HIS A 7 -17.910 -4.052 -2.155 1.00 60.41 H new ATOM 0 HB3 HIS A 7 -17.972 -4.366 -3.878 1.00 60.41 H new ATOM 0 HD1 HIS A 7 -15.813 -2.829 -1.216 1.00 63.54 H new ATOM 0 HD2 HIS A 7 -15.652 -3.665 -5.304 1.00 64.41 H new ATOM 0 HE1 HIS A 7 -13.389 -2.569 -1.904 1.00 50.10 H new ATOM 118 N LEU A 8 -18.759 -0.444 -4.724 1.00 44.40 N ATOM 119 CA LEU A 8 -18.527 0.355 -5.903 1.00 21.11 C ATOM 120 C LEU A 8 -17.428 1.339 -5.610 1.00 30.33 C ATOM 121 O LEU A 8 -16.557 1.578 -6.448 1.00 31.32 O ATOM 122 CB LEU A 8 -19.806 1.076 -6.344 1.00 44.55 C ATOM 123 CG LEU A 8 -20.989 0.180 -6.750 1.00 64.24 C ATOM 124 CD1 LEU A 8 -22.193 1.029 -7.126 1.00 0.04 C ATOM 125 CD2 LEU A 8 -20.605 -0.734 -7.909 1.00 53.42 C ATOM 0 H LEU A 8 -19.214 0.057 -3.961 1.00 44.40 H new ATOM 0 HA LEU A 8 -18.227 -0.294 -6.726 1.00 21.11 H new ATOM 0 HB2 LEU A 8 -20.131 1.724 -5.530 1.00 44.55 H new ATOM 0 HB3 LEU A 8 -19.561 1.722 -7.187 1.00 44.55 H new ATOM 0 HG LEU A 8 -21.252 -0.443 -5.895 1.00 64.24 H new ATOM 0 HD11 LEU A 8 -23.021 0.380 -7.411 1.00 0.04 H new ATOM 0 HD12 LEU A 8 -22.488 1.640 -6.273 1.00 0.04 H new ATOM 0 HD13 LEU A 8 -21.934 1.676 -7.964 1.00 0.04 H new ATOM 0 HD21 LEU A 8 -21.457 -1.358 -8.178 1.00 53.42 H new ATOM 0 HD22 LEU A 8 -20.312 -0.130 -8.767 1.00 53.42 H new ATOM 0 HD23 LEU A 8 -19.771 -1.369 -7.611 1.00 53.42 H new ATOM 137 N GLU A 9 -17.480 1.910 -4.410 1.00 22.13 N ATOM 138 CA GLU A 9 -16.455 2.799 -3.927 1.00 63.52 C ATOM 139 C GLU A 9 -15.153 2.021 -3.850 1.00 21.13 C ATOM 140 O GLU A 9 -15.016 1.106 -3.011 1.00 23.32 O ATOM 141 CB GLU A 9 -16.783 3.363 -2.522 1.00 21.21 C ATOM 142 CG GLU A 9 -18.162 4.021 -2.342 1.00 70.35 C ATOM 143 CD GLU A 9 -19.316 3.025 -2.189 1.00 3.41 C ATOM 144 OE1 GLU A 9 -19.752 2.437 -3.191 1.00 21.14 O ATOM 145 OE2 GLU A 9 -19.803 2.834 -1.051 1.00 42.22 O ATOM 0 H GLU A 9 -18.243 1.761 -3.750 1.00 22.13 H new ATOM 0 HA GLU A 9 -16.382 3.643 -4.613 1.00 63.52 H new ATOM 0 HB2 GLU A 9 -16.698 2.550 -1.801 1.00 21.21 H new ATOM 0 HB3 GLU A 9 -16.020 4.098 -2.264 1.00 21.21 H new ATOM 0 HG2 GLU A 9 -18.133 4.665 -1.463 1.00 70.35 H new ATOM 0 HG3 GLU A 9 -18.361 4.662 -3.201 1.00 70.35 H new ATOM 152 N LEU A 10 -14.229 2.335 -4.713 1.00 55.43 N ATOM 153 CA LEU A 10 -12.998 1.603 -4.786 1.00 62.11 C ATOM 154 C LEU A 10 -11.931 2.513 -5.380 1.00 64.33 C ATOM 155 O LEU A 10 -11.914 2.754 -6.597 1.00 61.03 O ATOM 156 CB LEU A 10 -13.226 0.355 -5.686 1.00 65.45 C ATOM 157 CG LEU A 10 -12.190 -0.796 -5.683 1.00 12.33 C ATOM 158 CD1 LEU A 10 -12.665 -1.886 -6.617 1.00 33.31 C ATOM 159 CD2 LEU A 10 -10.794 -0.345 -6.090 1.00 23.22 C ATOM 0 H LEU A 10 -14.307 3.101 -5.382 1.00 55.43 H new ATOM 0 HA LEU A 10 -12.671 1.274 -3.800 1.00 62.11 H new ATOM 0 HB2 LEU A 10 -14.189 -0.074 -5.409 1.00 65.45 H new ATOM 0 HB3 LEU A 10 -13.317 0.707 -6.713 1.00 65.45 H new ATOM 0 HG LEU A 10 -12.114 -1.164 -4.660 1.00 12.33 H new ATOM 0 HD11 LEU A 10 -11.942 -2.702 -6.622 1.00 33.31 H new ATOM 0 HD12 LEU A 10 -13.631 -2.260 -6.278 1.00 33.31 H new ATOM 0 HD13 LEU A 10 -12.765 -1.483 -7.625 1.00 33.31 H new ATOM 0 HD21 LEU A 10 -10.115 -1.198 -6.068 1.00 23.22 H new ATOM 0 HD22 LEU A 10 -10.825 0.068 -7.098 1.00 23.22 H new ATOM 0 HD23 LEU A 10 -10.441 0.418 -5.396 1.00 23.22 H new ATOM 171 N GLU A 11 -11.081 3.043 -4.526 1.00 31.34 N ATOM 172 CA GLU A 11 -9.988 3.900 -4.951 1.00 72.43 C ATOM 173 C GLU A 11 -8.784 3.645 -4.081 1.00 42.32 C ATOM 174 O GLU A 11 -8.802 3.930 -2.890 1.00 54.13 O ATOM 175 CB GLU A 11 -10.346 5.396 -4.858 1.00 1.24 C ATOM 176 CG GLU A 11 -11.557 5.821 -5.658 1.00 2.33 C ATOM 177 CD GLU A 11 -11.692 7.316 -5.738 1.00 22.21 C ATOM 178 OE1 GLU A 11 -11.038 7.925 -6.623 1.00 31.12 O ATOM 179 OE2 GLU A 11 -12.430 7.917 -4.933 1.00 41.24 O ATOM 0 H GLU A 11 -11.126 2.894 -3.518 1.00 31.34 H new ATOM 0 HA GLU A 11 -9.779 3.663 -5.994 1.00 72.43 H new ATOM 0 HB2 GLU A 11 -10.516 5.648 -3.811 1.00 1.24 H new ATOM 0 HB3 GLU A 11 -9.488 5.980 -5.191 1.00 1.24 H new ATOM 0 HG2 GLU A 11 -11.487 5.410 -6.665 1.00 2.33 H new ATOM 0 HG3 GLU A 11 -12.455 5.401 -5.205 1.00 2.33 H new ATOM 186 N VAL A 12 -7.752 3.126 -4.643 1.00 43.12 N ATOM 187 CA VAL A 12 -6.564 2.860 -3.878 1.00 42.23 C ATOM 188 C VAL A 12 -5.463 3.782 -4.364 1.00 63.23 C ATOM 189 O VAL A 12 -5.122 3.792 -5.543 1.00 51.23 O ATOM 190 CB VAL A 12 -6.150 1.377 -3.973 1.00 24.22 C ATOM 191 CG1 VAL A 12 -4.957 1.069 -3.081 1.00 13.32 C ATOM 192 CG2 VAL A 12 -7.327 0.487 -3.601 1.00 63.14 C ATOM 0 H VAL A 12 -7.695 2.873 -5.630 1.00 43.12 H new ATOM 0 HA VAL A 12 -6.758 3.054 -2.823 1.00 42.23 H new ATOM 0 HB VAL A 12 -5.853 1.176 -5.002 1.00 24.22 H new ATOM 0 HG11 VAL A 12 -4.695 0.015 -3.175 1.00 13.32 H new ATOM 0 HG12 VAL A 12 -4.108 1.682 -3.384 1.00 13.32 H new ATOM 0 HG13 VAL A 12 -5.212 1.288 -2.044 1.00 13.32 H new ATOM 0 HG21 VAL A 12 -7.028 -0.559 -3.670 1.00 63.14 H new ATOM 0 HG22 VAL A 12 -7.642 0.708 -2.581 1.00 63.14 H new ATOM 0 HG23 VAL A 12 -8.155 0.674 -4.285 1.00 63.14 H new ATOM 202 N HIS A 13 -4.937 4.565 -3.464 1.00 41.30 N ATOM 203 CA HIS A 13 -3.975 5.603 -3.808 1.00 73.41 C ATOM 204 C HIS A 13 -2.989 5.816 -2.691 1.00 71.34 C ATOM 205 O HIS A 13 -3.201 5.343 -1.586 1.00 13.14 O ATOM 206 CB HIS A 13 -4.718 6.922 -4.138 1.00 73.31 C ATOM 207 CG HIS A 13 -5.688 7.375 -3.074 1.00 75.03 C ATOM 208 ND1 HIS A 13 -7.038 7.122 -3.140 1.00 23.53 N ATOM 209 CD2 HIS A 13 -5.495 8.044 -1.910 1.00 41.54 C ATOM 210 CE1 HIS A 13 -7.626 7.607 -2.070 1.00 64.20 C ATOM 211 NE2 HIS A 13 -6.720 8.168 -1.311 1.00 1.32 N ATOM 0 H HIS A 13 -5.155 4.511 -2.469 1.00 41.30 H new ATOM 0 HA HIS A 13 -3.418 5.281 -4.688 1.00 73.41 H new ATOM 0 HB2 HIS A 13 -3.981 7.709 -4.299 1.00 73.31 H new ATOM 0 HB3 HIS A 13 -5.259 6.795 -5.075 1.00 73.31 H new ATOM 0 HD2 HIS A 13 -4.553 8.410 -1.528 1.00 41.54 H new ATOM 0 HE1 HIS A 13 -8.682 7.552 -1.853 1.00 64.20 H new ATOM 0 HE2 HIS A 13 -6.898 8.625 -0.416 1.00 1.32 H new ATOM 220 N ILE A 14 -1.934 6.532 -2.975 1.00 44.53 N ATOM 221 CA ILE A 14 -0.913 6.829 -1.993 1.00 15.31 C ATOM 222 C ILE A 14 -0.905 8.350 -1.741 1.00 50.03 C ATOM 223 O ILE A 14 -0.316 9.116 -2.517 1.00 52.23 O ATOM 224 CB ILE A 14 0.495 6.353 -2.475 1.00 24.41 C ATOM 225 CG1 ILE A 14 0.442 4.868 -2.863 1.00 30.45 C ATOM 226 CG2 ILE A 14 1.540 6.566 -1.384 1.00 74.31 C ATOM 227 CD1 ILE A 14 1.767 4.293 -3.336 1.00 51.42 C ATOM 0 H ILE A 14 -1.753 6.930 -3.897 1.00 44.53 H new ATOM 0 HA ILE A 14 -1.138 6.295 -1.070 1.00 15.31 H new ATOM 0 HB ILE A 14 0.778 6.944 -3.346 1.00 24.41 H new ATOM 0 HG12 ILE A 14 0.097 4.293 -2.004 1.00 30.45 H new ATOM 0 HG13 ILE A 14 -0.299 4.738 -3.652 1.00 30.45 H new ATOM 0 HG21 ILE A 14 2.513 6.228 -1.741 1.00 74.31 H new ATOM 0 HG22 ILE A 14 1.594 7.625 -1.133 1.00 74.31 H new ATOM 0 HG23 ILE A 14 1.261 5.997 -0.497 1.00 74.31 H new ATOM 0 HD11 ILE A 14 1.637 3.241 -3.589 1.00 51.42 H new ATOM 0 HD12 ILE A 14 2.107 4.839 -4.216 1.00 51.42 H new ATOM 0 HD13 ILE A 14 2.508 4.387 -2.542 1.00 51.42 H new ATOM 239 N PRO A 15 -1.618 8.814 -0.684 1.00 40.33 N ATOM 240 CA PRO A 15 -1.766 10.246 -0.393 1.00 3.33 C ATOM 241 C PRO A 15 -0.486 10.952 0.092 1.00 4.33 C ATOM 242 O PRO A 15 -0.317 12.151 -0.140 1.00 72.43 O ATOM 243 CB PRO A 15 -2.844 10.280 0.696 1.00 55.05 C ATOM 244 CG PRO A 15 -2.748 8.956 1.363 1.00 20.03 C ATOM 245 CD PRO A 15 -2.364 7.984 0.289 1.00 33.12 C ATOM 0 HA PRO A 15 -2.017 10.790 -1.303 1.00 3.33 H new ATOM 0 HB2 PRO A 15 -2.669 11.092 1.401 1.00 55.05 H new ATOM 0 HB3 PRO A 15 -3.834 10.437 0.268 1.00 55.05 H new ATOM 0 HG2 PRO A 15 -2.004 8.973 2.159 1.00 20.03 H new ATOM 0 HG3 PRO A 15 -3.698 8.679 1.820 1.00 20.03 H new ATOM 0 HD2 PRO A 15 -1.747 7.176 0.682 1.00 33.12 H new ATOM 0 HD3 PRO A 15 -3.241 7.523 -0.166 1.00 33.12 H new ATOM 253 N SER A 16 0.401 10.239 0.773 1.00 25.23 N ATOM 254 CA SER A 16 1.623 10.857 1.297 1.00 22.42 C ATOM 255 C SER A 16 2.749 9.832 1.429 1.00 12.33 C ATOM 256 O SER A 16 2.494 8.645 1.710 1.00 2.21 O ATOM 257 CB SER A 16 1.348 11.511 2.657 1.00 64.10 C ATOM 258 OG SER A 16 0.335 12.504 2.557 1.00 31.04 O ATOM 0 H SER A 16 0.305 9.244 0.977 1.00 25.23 H new ATOM 0 HA SER A 16 1.940 11.623 0.589 1.00 22.42 H new ATOM 0 HB2 SER A 16 1.044 10.749 3.375 1.00 64.10 H new ATOM 0 HB3 SER A 16 2.265 11.961 3.039 1.00 64.10 H new ATOM 0 HG SER A 16 0.180 12.903 3.439 1.00 31.04 H new ATOM 264 N VAL A 17 3.987 10.288 1.240 1.00 31.15 N ATOM 265 CA VAL A 17 5.169 9.430 1.300 1.00 31.45 C ATOM 266 C VAL A 17 6.300 10.160 2.031 1.00 42.50 C ATOM 267 O VAL A 17 6.692 11.269 1.632 1.00 22.31 O ATOM 268 CB VAL A 17 5.669 9.061 -0.126 1.00 31.02 C ATOM 269 CG1 VAL A 17 6.838 8.117 -0.060 1.00 1.20 C ATOM 270 CG2 VAL A 17 4.571 8.454 -0.951 1.00 31.13 C ATOM 0 H VAL A 17 4.198 11.266 1.040 1.00 31.15 H new ATOM 0 HA VAL A 17 4.892 8.519 1.830 1.00 31.45 H new ATOM 0 HB VAL A 17 5.990 9.986 -0.605 1.00 31.02 H new ATOM 0 HG11 VAL A 17 7.168 7.875 -1.070 1.00 1.20 H new ATOM 0 HG12 VAL A 17 7.656 8.588 0.486 1.00 1.20 H new ATOM 0 HG13 VAL A 17 6.539 7.203 0.453 1.00 1.20 H new ATOM 0 HG21 VAL A 17 4.954 8.208 -1.941 1.00 31.13 H new ATOM 0 HG22 VAL A 17 4.210 7.547 -0.466 1.00 31.13 H new ATOM 0 HG23 VAL A 17 3.751 9.166 -1.046 1.00 31.13 H new ATOM 280 N GLY A 18 6.806 9.560 3.090 1.00 71.00 N ATOM 281 CA GLY A 18 7.878 10.168 3.843 1.00 72.43 C ATOM 282 C GLY A 18 8.594 9.159 4.710 1.00 30.11 C ATOM 283 O GLY A 18 8.056 8.081 4.974 1.00 14.25 O ATOM 0 H GLY A 18 6.492 8.657 3.445 1.00 71.00 H new ATOM 0 HA2 GLY A 18 8.589 10.628 3.157 1.00 72.43 H new ATOM 0 HA3 GLY A 18 7.477 10.966 4.468 1.00 72.43 H new ATOM 287 N PRO A 19 9.818 9.451 5.147 1.00 4.32 N ATOM 288 CA PRO A 19 10.526 8.593 6.082 1.00 4.10 C ATOM 289 C PRO A 19 9.897 8.687 7.478 1.00 75.42 C ATOM 290 O PRO A 19 10.065 9.678 8.182 1.00 73.40 O ATOM 291 CB PRO A 19 11.947 9.161 6.095 1.00 1.50 C ATOM 292 CG PRO A 19 11.796 10.583 5.676 1.00 44.05 C ATOM 293 CD PRO A 19 10.616 10.626 4.750 1.00 32.14 C ATOM 0 HA PRO A 19 10.494 7.541 5.799 1.00 4.10 H new ATOM 0 HB2 PRO A 19 12.393 9.087 7.087 1.00 1.50 H new ATOM 0 HB3 PRO A 19 12.597 8.615 5.411 1.00 1.50 H new ATOM 0 HG2 PRO A 19 11.636 11.228 6.540 1.00 44.05 H new ATOM 0 HG3 PRO A 19 12.696 10.939 5.175 1.00 44.05 H new ATOM 0 HD2 PRO A 19 10.051 11.551 4.864 1.00 32.14 H new ATOM 0 HD3 PRO A 19 10.924 10.567 3.706 1.00 32.14 H new ATOM 301 N GLU A 20 9.123 7.700 7.836 1.00 12.15 N ATOM 302 CA GLU A 20 8.451 7.699 9.119 1.00 10.22 C ATOM 303 C GLU A 20 9.037 6.627 10.013 1.00 33.34 C ATOM 304 O GLU A 20 9.423 6.887 11.155 1.00 3.43 O ATOM 305 CB GLU A 20 6.963 7.486 8.909 1.00 71.04 C ATOM 306 CG GLU A 20 6.107 7.522 10.162 1.00 31.42 C ATOM 307 CD GLU A 20 4.641 7.334 9.847 1.00 21.10 C ATOM 308 OE1 GLU A 20 3.950 8.330 9.573 1.00 23.44 O ATOM 309 OE2 GLU A 20 4.159 6.187 9.854 1.00 50.01 O ATOM 0 H GLU A 20 8.937 6.880 7.259 1.00 12.15 H new ATOM 0 HA GLU A 20 8.598 8.661 9.611 1.00 10.22 H new ATOM 0 HB2 GLU A 20 6.599 8.250 8.221 1.00 71.04 H new ATOM 0 HB3 GLU A 20 6.818 6.522 8.421 1.00 71.04 H new ATOM 0 HG2 GLU A 20 6.434 6.741 10.848 1.00 31.42 H new ATOM 0 HG3 GLU A 20 6.250 8.475 10.672 1.00 31.42 H new ATOM 316 N ALA A 21 9.113 5.432 9.499 1.00 45.13 N ATOM 317 CA ALA A 21 9.672 4.345 10.237 1.00 64.41 C ATOM 318 C ALA A 21 10.904 3.834 9.536 1.00 71.14 C ATOM 319 O ALA A 21 10.807 3.112 8.531 1.00 54.45 O ATOM 320 CB ALA A 21 8.647 3.231 10.422 1.00 41.22 C ATOM 0 H ALA A 21 8.790 5.189 8.562 1.00 45.13 H new ATOM 0 HA ALA A 21 9.955 4.700 11.228 1.00 64.41 H new ATOM 0 HB1 ALA A 21 9.096 2.414 10.987 1.00 41.22 H new ATOM 0 HB2 ALA A 21 7.784 3.617 10.965 1.00 41.22 H new ATOM 0 HB3 ALA A 21 8.327 2.865 9.446 1.00 41.22 H new ATOM 326 N GLU A 22 12.055 4.240 10.013 1.00 45.13 N ATOM 327 CA GLU A 22 13.277 3.784 9.439 1.00 32.32 C ATOM 328 C GLU A 22 13.792 2.599 10.225 1.00 11.32 C ATOM 329 O GLU A 22 13.719 2.576 11.464 1.00 43.22 O ATOM 330 CB GLU A 22 14.358 4.897 9.320 1.00 45.12 C ATOM 331 CG GLU A 22 14.904 5.476 10.636 1.00 60.21 C ATOM 332 CD GLU A 22 13.910 6.286 11.437 1.00 13.12 C ATOM 333 OE1 GLU A 22 13.117 5.701 12.207 1.00 45.30 O ATOM 334 OE2 GLU A 22 13.936 7.520 11.345 1.00 51.13 O ATOM 0 H GLU A 22 12.162 4.884 10.796 1.00 45.13 H new ATOM 0 HA GLU A 22 13.062 3.479 8.415 1.00 32.32 H new ATOM 0 HB2 GLU A 22 15.197 4.496 8.751 1.00 45.12 H new ATOM 0 HB3 GLU A 22 13.939 5.717 8.736 1.00 45.12 H new ATOM 0 HG2 GLU A 22 15.264 4.655 11.255 1.00 60.21 H new ATOM 0 HG3 GLU A 22 15.765 6.105 10.409 1.00 60.21 H new ATOM 341 N GLY A 23 14.265 1.620 9.525 1.00 24.33 N ATOM 342 CA GLY A 23 14.787 0.448 10.166 1.00 34.32 C ATOM 343 C GLY A 23 13.708 -0.581 10.424 1.00 64.40 C ATOM 344 O GLY A 23 13.176 -0.660 11.536 1.00 71.32 O ATOM 0 H GLY A 23 14.303 1.605 8.506 1.00 24.33 H new ATOM 0 HA2 GLY A 23 15.566 0.009 9.542 1.00 34.32 H new ATOM 0 HA3 GLY A 23 15.255 0.728 11.110 1.00 34.32 H new ATOM 348 N PRO A 24 13.340 -1.369 9.405 1.00 65.10 N ATOM 349 CA PRO A 24 12.347 -2.447 9.536 1.00 33.32 C ATOM 350 C PRO A 24 12.932 -3.683 10.222 1.00 14.02 C ATOM 351 O PRO A 24 13.923 -3.600 10.976 1.00 45.12 O ATOM 352 CB PRO A 24 12.056 -2.792 8.073 1.00 24.44 C ATOM 353 CG PRO A 24 13.312 -2.486 7.362 1.00 74.24 C ATOM 354 CD PRO A 24 13.835 -1.249 8.009 1.00 14.24 C ATOM 0 HA PRO A 24 11.483 -2.148 10.130 1.00 33.32 H new ATOM 0 HB2 PRO A 24 11.782 -3.841 7.960 1.00 24.44 H new ATOM 0 HB3 PRO A 24 11.226 -2.202 7.684 1.00 24.44 H new ATOM 0 HG2 PRO A 24 14.024 -3.307 7.449 1.00 74.24 H new ATOM 0 HG3 PRO A 24 13.134 -2.329 6.298 1.00 74.24 H new ATOM 0 HD2 PRO A 24 14.923 -1.201 7.969 1.00 14.24 H new ATOM 0 HD3 PRO A 24 13.459 -0.349 7.523 1.00 14.24 H new ATOM 362 N ARG A 25 12.315 -4.831 9.963 1.00 31.10 N ATOM 363 CA ARG A 25 12.830 -6.115 10.423 1.00 3.44 C ATOM 364 C ARG A 25 14.090 -6.430 9.595 1.00 44.51 C ATOM 365 O ARG A 25 14.603 -5.547 8.905 1.00 62.05 O ATOM 366 CB ARG A 25 11.765 -7.202 10.217 1.00 23.21 C ATOM 367 CG ARG A 25 10.411 -6.956 10.919 1.00 75.40 C ATOM 368 CD ARG A 25 10.514 -6.898 12.454 1.00 33.11 C ATOM 369 NE ARG A 25 11.258 -5.725 12.956 1.00 11.14 N ATOM 370 CZ ARG A 25 11.744 -5.597 14.201 1.00 35.22 C ATOM 371 NH1 ARG A 25 11.531 -6.551 15.105 1.00 5.51 N ATOM 372 NH2 ARG A 25 12.416 -4.503 14.542 1.00 52.40 N ATOM 0 H ARG A 25 11.448 -4.897 9.431 1.00 31.10 H new ATOM 0 HA ARG A 25 13.076 -6.081 11.484 1.00 3.44 H new ATOM 0 HB2 ARG A 25 11.584 -7.310 9.147 1.00 23.21 H new ATOM 0 HB3 ARG A 25 12.169 -8.151 10.569 1.00 23.21 H new ATOM 0 HG2 ARG A 25 9.988 -6.019 10.556 1.00 75.40 H new ATOM 0 HG3 ARG A 25 9.717 -7.749 10.639 1.00 75.40 H new ATOM 0 HD2 ARG A 25 9.509 -6.888 12.876 1.00 33.11 H new ATOM 0 HD3 ARG A 25 11.001 -7.806 12.811 1.00 33.11 H new ATOM 0 HE ARG A 25 11.414 -4.953 12.307 1.00 11.14 H new ATOM 0 HH11 ARG A 25 10.997 -7.383 14.853 1.00 5.51 H new ATOM 0 HH12 ARG A 25 11.902 -6.450 16.050 1.00 5.51 H new ATOM 0 HH21 ARG A 25 12.563 -3.761 13.858 1.00 52.40 H new ATOM 0 HH22 ARG A 25 12.785 -4.405 15.488 1.00 52.40 H new ATOM 386 N GLN A 26 14.595 -7.633 9.631 1.00 15.14 N ATOM 387 CA GLN A 26 15.798 -7.891 8.859 1.00 74.04 C ATOM 388 C GLN A 26 15.441 -8.056 7.381 1.00 31.04 C ATOM 389 O GLN A 26 14.970 -9.110 6.956 1.00 15.44 O ATOM 390 CB GLN A 26 16.526 -9.137 9.368 1.00 44.50 C ATOM 391 CG GLN A 26 17.837 -9.429 8.652 1.00 43.12 C ATOM 392 CD GLN A 26 18.447 -10.737 9.091 1.00 23.44 C ATOM 393 OE1 GLN A 26 19.220 -10.793 10.047 1.00 53.25 O ATOM 394 NE2 GLN A 26 18.126 -11.794 8.388 1.00 33.32 N ATOM 0 H GLN A 26 14.221 -8.422 10.157 1.00 15.14 H new ATOM 0 HA GLN A 26 16.468 -7.039 8.976 1.00 74.04 H new ATOM 0 HB2 GLN A 26 16.725 -9.018 10.433 1.00 44.50 H new ATOM 0 HB3 GLN A 26 15.867 -9.998 9.261 1.00 44.50 H new ATOM 0 HG2 GLN A 26 17.664 -9.454 7.576 1.00 43.12 H new ATOM 0 HG3 GLN A 26 18.541 -8.619 8.843 1.00 43.12 H new ATOM 0 HE21 GLN A 26 17.481 -11.707 7.602 1.00 33.32 H new ATOM 0 HE22 GLN A 26 18.520 -12.704 8.626 1.00 33.32 H new ATOM 403 N SER A 27 15.588 -6.994 6.636 1.00 2.34 N ATOM 404 CA SER A 27 15.393 -7.013 5.222 1.00 11.52 C ATOM 405 C SER A 27 16.677 -6.556 4.547 1.00 33.42 C ATOM 406 O SER A 27 17.380 -5.704 5.088 1.00 12.41 O ATOM 407 CB SER A 27 14.214 -6.103 4.818 1.00 45.31 C ATOM 408 OG SER A 27 13.038 -6.454 5.553 1.00 42.23 O ATOM 0 H SER A 27 15.851 -6.080 7.005 1.00 2.34 H new ATOM 0 HA SER A 27 15.150 -8.026 4.902 1.00 11.52 H new ATOM 0 HB2 SER A 27 14.470 -5.060 5.006 1.00 45.31 H new ATOM 0 HB3 SER A 27 14.024 -6.197 3.749 1.00 45.31 H new ATOM 0 HG SER A 27 12.561 -5.639 5.815 1.00 42.23 H new ATOM 414 N PRO A 28 17.038 -7.117 3.393 1.00 74.54 N ATOM 415 CA PRO A 28 18.172 -6.615 2.613 1.00 14.13 C ATOM 416 C PRO A 28 17.844 -5.235 2.027 1.00 34.54 C ATOM 417 O PRO A 28 18.734 -4.465 1.656 1.00 74.15 O ATOM 418 CB PRO A 28 18.322 -7.648 1.480 1.00 42.55 C ATOM 419 CG PRO A 28 17.549 -8.839 1.938 1.00 23.44 C ATOM 420 CD PRO A 28 16.435 -8.307 2.780 1.00 1.44 C ATOM 0 HA PRO A 28 19.078 -6.499 3.208 1.00 14.13 H new ATOM 0 HB2 PRO A 28 17.930 -7.261 0.539 1.00 42.55 H new ATOM 0 HB3 PRO A 28 19.369 -7.899 1.310 1.00 42.55 H new ATOM 0 HG2 PRO A 28 17.162 -9.403 1.089 1.00 23.44 H new ATOM 0 HG3 PRO A 28 18.181 -9.518 2.510 1.00 23.44 H new ATOM 0 HD2 PRO A 28 15.559 -8.055 2.182 1.00 1.44 H new ATOM 0 HD3 PRO A 28 16.112 -9.030 3.529 1.00 1.44 H new ATOM 428 N GLU A 29 16.555 -4.936 1.961 1.00 33.33 N ATOM 429 CA GLU A 29 16.060 -3.687 1.425 1.00 2.52 C ATOM 430 C GLU A 29 16.396 -2.548 2.397 1.00 63.44 C ATOM 431 O GLU A 29 17.149 -1.631 2.036 1.00 33.14 O ATOM 432 CB GLU A 29 14.546 -3.827 1.170 1.00 55.30 C ATOM 433 CG GLU A 29 13.880 -2.721 0.355 1.00 13.32 C ATOM 434 CD GLU A 29 13.742 -1.376 1.044 1.00 55.20 C ATOM 435 OE1 GLU A 29 12.826 -1.228 1.855 1.00 3.41 O ATOM 436 OE2 GLU A 29 14.519 -0.445 0.752 1.00 72.54 O ATOM 0 H GLU A 29 15.819 -5.564 2.283 1.00 33.33 H new ATOM 0 HA GLU A 29 16.537 -3.447 0.475 1.00 2.52 H new ATOM 0 HB2 GLU A 29 14.374 -4.775 0.661 1.00 55.30 H new ATOM 0 HB3 GLU A 29 14.043 -3.888 2.135 1.00 55.30 H new ATOM 0 HG2 GLU A 29 14.451 -2.580 -0.563 1.00 13.32 H new ATOM 0 HG3 GLU A 29 12.886 -3.061 0.063 1.00 13.32 H new ATOM 443 N LYS A 30 15.856 -2.631 3.629 1.00 10.22 N ATOM 444 CA LYS A 30 16.142 -1.675 4.706 1.00 23.43 C ATOM 445 C LYS A 30 15.411 -0.377 4.463 1.00 55.33 C ATOM 446 O LYS A 30 15.993 0.616 3.994 1.00 5.32 O ATOM 447 CB LYS A 30 17.655 -1.415 4.905 1.00 73.41 C ATOM 448 CG LYS A 30 18.495 -2.661 5.156 1.00 54.21 C ATOM 449 CD LYS A 30 19.978 -2.324 5.267 1.00 62.32 C ATOM 450 CE LYS A 30 20.538 -1.695 3.981 1.00 11.42 C ATOM 451 NZ LYS A 30 20.425 -2.587 2.800 1.00 21.51 N ATOM 0 H LYS A 30 15.206 -3.369 3.902 1.00 10.22 H new ATOM 0 HA LYS A 30 15.782 -2.129 5.629 1.00 23.43 H new ATOM 0 HB2 LYS A 30 18.040 -0.907 4.021 1.00 73.41 H new ATOM 0 HB3 LYS A 30 17.784 -0.733 5.746 1.00 73.41 H new ATOM 0 HG2 LYS A 30 18.162 -3.147 6.073 1.00 54.21 H new ATOM 0 HG3 LYS A 30 18.343 -3.373 4.345 1.00 54.21 H new ATOM 0 HD2 LYS A 30 20.130 -1.637 6.099 1.00 62.32 H new ATOM 0 HD3 LYS A 30 20.537 -3.231 5.497 1.00 62.32 H new ATOM 0 HE2 LYS A 30 20.008 -0.764 3.778 1.00 11.42 H new ATOM 0 HE3 LYS A 30 21.586 -1.438 4.136 1.00 11.42 H new ATOM 0 HZ1 LYS A 30 20.740 -2.078 1.949 1.00 21.51 H new ATOM 0 HZ2 LYS A 30 21.021 -3.427 2.941 1.00 21.51 H new ATOM 0 HZ3 LYS A 30 19.435 -2.881 2.681 1.00 21.51 H new ATOM 465 N SER A 31 14.127 -0.410 4.706 1.00 72.54 N ATOM 466 CA SER A 31 13.281 0.727 4.527 1.00 10.20 C ATOM 467 C SER A 31 13.614 1.865 5.470 1.00 22.12 C ATOM 468 O SER A 31 13.659 1.703 6.689 1.00 64.44 O ATOM 469 CB SER A 31 11.830 0.350 4.741 1.00 74.22 C ATOM 470 OG SER A 31 11.393 -0.643 3.840 1.00 1.43 O ATOM 0 H SER A 31 13.639 -1.242 5.038 1.00 72.54 H new ATOM 0 HA SER A 31 13.449 1.065 3.504 1.00 10.20 H new ATOM 0 HB2 SER A 31 11.697 -0.006 5.762 1.00 74.22 H new ATOM 0 HB3 SER A 31 11.207 1.237 4.629 1.00 74.22 H new ATOM 0 HG SER A 31 11.814 -0.500 2.967 1.00 1.43 H new ATOM 476 N HIS A 32 13.853 2.994 4.900 1.00 45.50 N ATOM 477 CA HIS A 32 13.938 4.226 5.642 1.00 31.43 C ATOM 478 C HIS A 32 12.867 5.129 5.055 1.00 34.11 C ATOM 479 O HIS A 32 12.938 6.339 5.101 1.00 72.11 O ATOM 480 CB HIS A 32 15.354 4.865 5.563 1.00 13.22 C ATOM 481 CG HIS A 32 15.863 5.215 4.189 1.00 11.34 C ATOM 482 ND1 HIS A 32 15.853 6.494 3.680 1.00 61.45 N ATOM 483 CD2 HIS A 32 16.435 4.445 3.245 1.00 70.15 C ATOM 484 CE1 HIS A 32 16.396 6.489 2.481 1.00 51.02 C ATOM 485 NE2 HIS A 32 16.760 5.256 2.192 1.00 25.41 N ATOM 0 H HIS A 32 13.998 3.101 3.896 1.00 45.50 H new ATOM 0 HA HIS A 32 13.775 4.058 6.707 1.00 31.43 H new ATOM 0 HB2 HIS A 32 15.352 5.773 6.166 1.00 13.22 H new ATOM 0 HB3 HIS A 32 16.064 4.178 6.024 1.00 13.22 H new ATOM 0 HD2 HIS A 32 16.606 3.380 3.307 1.00 70.15 H new ATOM 0 HE1 HIS A 32 16.522 7.350 1.842 1.00 51.02 H new ATOM 0 HE2 HIS A 32 17.209 4.956 1.327 1.00 25.41 H new ATOM 494 N MET A 33 11.850 4.465 4.537 1.00 23.35 N ATOM 495 CA MET A 33 10.766 5.061 3.797 1.00 50.23 C ATOM 496 C MET A 33 9.455 4.410 4.139 1.00 73.52 C ATOM 497 O MET A 33 9.412 3.194 4.345 1.00 15.13 O ATOM 498 CB MET A 33 11.027 4.810 2.310 1.00 55.32 C ATOM 499 CG MET A 33 9.845 5.119 1.407 1.00 22.24 C ATOM 500 SD MET A 33 9.319 6.803 1.555 1.00 13.51 S ATOM 501 CE MET A 33 10.803 7.612 1.085 1.00 2.35 C ATOM 0 H MET A 33 11.758 3.453 4.627 1.00 23.35 H new ATOM 0 HA MET A 33 10.713 6.122 4.039 1.00 50.23 H new ATOM 0 HB2 MET A 33 11.878 5.415 1.995 1.00 55.32 H new ATOM 0 HB3 MET A 33 11.310 3.766 2.174 1.00 55.32 H new ATOM 0 HG2 MET A 33 10.117 4.914 0.372 1.00 22.24 H new ATOM 0 HG3 MET A 33 9.016 4.457 1.656 1.00 22.24 H new ATOM 0 HE1 MET A 33 10.579 8.633 0.777 1.00 2.35 H new ATOM 0 HE2 MET A 33 11.491 7.631 1.930 1.00 2.35 H new ATOM 0 HE3 MET A 33 11.263 7.075 0.255 1.00 2.35 H new ATOM 511 N VAL A 34 8.389 5.205 4.193 1.00 75.44 N ATOM 512 CA VAL A 34 7.064 4.660 4.268 1.00 51.04 C ATOM 513 C VAL A 34 6.138 5.444 3.323 1.00 14.25 C ATOM 514 O VAL A 34 6.120 6.693 3.306 1.00 71.32 O ATOM 515 CB VAL A 34 6.422 4.598 5.710 1.00 41.31 C ATOM 516 CG1 VAL A 34 7.329 3.936 6.735 1.00 52.21 C ATOM 517 CG2 VAL A 34 5.934 5.944 6.191 1.00 72.44 C ATOM 0 H VAL A 34 8.431 6.224 4.185 1.00 75.44 H new ATOM 0 HA VAL A 34 7.168 3.618 3.966 1.00 51.04 H new ATOM 0 HB VAL A 34 5.545 3.959 5.607 1.00 41.31 H new ATOM 0 HG11 VAL A 34 6.833 3.923 7.705 1.00 52.21 H new ATOM 0 HG12 VAL A 34 7.544 2.914 6.424 1.00 52.21 H new ATOM 0 HG13 VAL A 34 8.261 4.496 6.811 1.00 52.21 H new ATOM 0 HG21 VAL A 34 5.503 5.840 7.187 1.00 72.44 H new ATOM 0 HG22 VAL A 34 6.770 6.642 6.229 1.00 72.44 H new ATOM 0 HG23 VAL A 34 5.176 6.323 5.505 1.00 72.44 H new ATOM 527 N PHE A 35 5.437 4.737 2.523 1.00 22.31 N ATOM 528 CA PHE A 35 4.441 5.310 1.682 1.00 32.34 C ATOM 529 C PHE A 35 3.081 4.841 2.157 1.00 54.14 C ATOM 530 O PHE A 35 2.865 3.650 2.383 1.00 23.11 O ATOM 531 CB PHE A 35 4.707 5.035 0.172 1.00 64.10 C ATOM 532 CG PHE A 35 4.986 3.608 -0.191 1.00 51.12 C ATOM 533 CD1 PHE A 35 3.957 2.725 -0.399 1.00 31.11 C ATOM 534 CD2 PHE A 35 6.292 3.160 -0.328 1.00 31.33 C ATOM 535 CE1 PHE A 35 4.202 1.418 -0.731 1.00 41.22 C ATOM 536 CE2 PHE A 35 6.552 1.849 -0.661 1.00 24.55 C ATOM 537 CZ PHE A 35 5.503 0.972 -0.860 1.00 2.25 C ATOM 0 H PHE A 35 5.535 3.726 2.427 1.00 22.31 H new ATOM 0 HA PHE A 35 4.475 6.397 1.762 1.00 32.34 H new ATOM 0 HB2 PHE A 35 3.841 5.373 -0.398 1.00 64.10 H new ATOM 0 HB3 PHE A 35 5.554 5.643 -0.145 1.00 64.10 H new ATOM 0 HD1 PHE A 35 2.937 3.065 -0.299 1.00 31.11 H new ATOM 0 HD2 PHE A 35 7.112 3.845 -0.172 1.00 31.33 H new ATOM 0 HE1 PHE A 35 3.379 0.738 -0.892 1.00 41.22 H new ATOM 0 HE2 PHE A 35 7.571 1.508 -0.766 1.00 24.55 H new ATOM 0 HZ PHE A 35 5.700 -0.059 -1.116 1.00 2.25 H new ATOM 547 N ARG A 36 2.189 5.766 2.375 1.00 74.51 N ATOM 548 CA ARG A 36 0.887 5.426 2.902 1.00 41.10 C ATOM 549 C ARG A 36 -0.033 5.004 1.793 1.00 74.21 C ATOM 550 O ARG A 36 -0.467 5.827 1.014 1.00 63.42 O ATOM 551 CB ARG A 36 0.235 6.587 3.705 1.00 71.10 C ATOM 552 CG ARG A 36 0.938 7.024 5.009 1.00 65.42 C ATOM 553 CD ARG A 36 2.287 7.679 4.766 1.00 30.04 C ATOM 554 NE ARG A 36 2.913 8.149 6.004 1.00 64.44 N ATOM 555 CZ ARG A 36 3.856 9.104 6.068 1.00 72.24 C ATOM 556 NH1 ARG A 36 4.256 9.719 4.957 1.00 11.33 N ATOM 557 NH2 ARG A 36 4.384 9.444 7.228 1.00 73.43 N ATOM 0 H ARG A 36 2.334 6.760 2.198 1.00 74.51 H new ATOM 0 HA ARG A 36 1.042 4.599 3.595 1.00 41.10 H new ATOM 0 HB2 ARG A 36 0.168 7.455 3.050 1.00 71.10 H new ATOM 0 HB3 ARG A 36 -0.786 6.295 3.953 1.00 71.10 H new ATOM 0 HG2 ARG A 36 0.294 7.720 5.547 1.00 65.42 H new ATOM 0 HG3 ARG A 36 1.073 6.154 5.651 1.00 65.42 H new ATOM 0 HD2 ARG A 36 2.950 6.967 4.275 1.00 30.04 H new ATOM 0 HD3 ARG A 36 2.161 8.520 4.084 1.00 30.04 H new ATOM 0 HE ARG A 36 2.612 7.721 6.879 1.00 64.44 H new ATOM 0 HH11 ARG A 36 3.847 9.465 4.058 1.00 11.33 H new ATOM 0 HH12 ARG A 36 4.972 10.444 5.005 1.00 11.33 H new ATOM 0 HH21 ARG A 36 4.077 8.981 8.083 1.00 73.43 H new ATOM 0 HH22 ARG A 36 5.099 10.170 7.270 1.00 73.43 H new ATOM 571 N VAL A 37 -0.302 3.734 1.709 1.00 44.14 N ATOM 572 CA VAL A 37 -1.227 3.243 0.733 1.00 4.01 C ATOM 573 C VAL A 37 -2.618 3.277 1.343 1.00 63.24 C ATOM 574 O VAL A 37 -2.854 2.736 2.424 1.00 54.45 O ATOM 575 CB VAL A 37 -0.859 1.816 0.174 1.00 52.10 C ATOM 576 CG1 VAL A 37 0.517 1.834 -0.465 1.00 31.34 C ATOM 577 CG2 VAL A 37 -0.922 0.725 1.236 1.00 73.43 C ATOM 0 H VAL A 37 0.109 3.018 2.308 1.00 44.14 H new ATOM 0 HA VAL A 37 -1.184 3.892 -0.142 1.00 4.01 H new ATOM 0 HB VAL A 37 -1.612 1.576 -0.577 1.00 52.10 H new ATOM 0 HG11 VAL A 37 0.755 0.841 -0.845 1.00 31.34 H new ATOM 0 HG12 VAL A 37 0.527 2.549 -1.287 1.00 31.34 H new ATOM 0 HG13 VAL A 37 1.259 2.125 0.278 1.00 31.34 H new ATOM 0 HG21 VAL A 37 -0.658 -0.234 0.789 1.00 73.43 H new ATOM 0 HG22 VAL A 37 -0.221 0.957 2.038 1.00 73.43 H new ATOM 0 HG23 VAL A 37 -1.932 0.670 1.642 1.00 73.43 H new ATOM 587 N GLU A 38 -3.501 3.959 0.705 1.00 33.43 N ATOM 588 CA GLU A 38 -4.818 4.119 1.212 1.00 22.25 C ATOM 589 C GLU A 38 -5.796 3.394 0.321 1.00 60.22 C ATOM 590 O GLU A 38 -6.015 3.781 -0.839 1.00 54.10 O ATOM 591 CB GLU A 38 -5.155 5.599 1.312 1.00 23.44 C ATOM 592 CG GLU A 38 -6.470 5.902 1.981 1.00 72.32 C ATOM 593 CD GLU A 38 -6.696 7.374 2.104 1.00 24.05 C ATOM 594 OE1 GLU A 38 -6.216 7.978 3.071 1.00 43.44 O ATOM 595 OE2 GLU A 38 -7.343 7.956 1.222 1.00 20.13 O ATOM 0 H GLU A 38 -3.330 4.424 -0.187 1.00 33.43 H new ATOM 0 HA GLU A 38 -4.883 3.689 2.211 1.00 22.25 H new ATOM 0 HB2 GLU A 38 -4.359 6.102 1.861 1.00 23.44 H new ATOM 0 HB3 GLU A 38 -5.167 6.023 0.308 1.00 23.44 H new ATOM 0 HG2 GLU A 38 -7.282 5.455 1.408 1.00 72.32 H new ATOM 0 HG3 GLU A 38 -6.489 5.446 2.971 1.00 72.32 H new ATOM 602 N VAL A 39 -6.344 2.338 0.845 1.00 23.12 N ATOM 603 CA VAL A 39 -7.298 1.519 0.133 1.00 41.43 C ATOM 604 C VAL A 39 -8.709 1.950 0.507 1.00 2.31 C ATOM 605 O VAL A 39 -9.128 1.785 1.660 1.00 34.25 O ATOM 606 CB VAL A 39 -7.098 0.011 0.477 1.00 71.00 C ATOM 607 CG1 VAL A 39 -8.125 -0.874 -0.224 1.00 2.31 C ATOM 608 CG2 VAL A 39 -5.683 -0.449 0.141 1.00 51.21 C ATOM 0 H VAL A 39 -6.143 2.011 1.790 1.00 23.12 H new ATOM 0 HA VAL A 39 -7.143 1.650 -0.938 1.00 41.43 H new ATOM 0 HB VAL A 39 -7.249 -0.091 1.552 1.00 71.00 H new ATOM 0 HG11 VAL A 39 -7.950 -1.916 0.043 1.00 2.31 H new ATOM 0 HG12 VAL A 39 -9.128 -0.583 0.087 1.00 2.31 H new ATOM 0 HG13 VAL A 39 -8.031 -0.755 -1.303 1.00 2.31 H new ATOM 0 HG21 VAL A 39 -5.574 -1.504 0.392 1.00 51.21 H new ATOM 0 HG22 VAL A 39 -5.498 -0.308 -0.924 1.00 51.21 H new ATOM 0 HG23 VAL A 39 -4.964 0.136 0.715 1.00 51.21 H new ATOM 618 N LEU A 40 -9.411 2.557 -0.436 1.00 21.35 N ATOM 619 CA LEU A 40 -10.788 2.938 -0.224 1.00 73.51 C ATOM 620 C LEU A 40 -11.624 1.779 -0.735 1.00 63.13 C ATOM 621 O LEU A 40 -11.647 1.504 -1.939 1.00 34.00 O ATOM 622 CB LEU A 40 -11.130 4.230 -1.023 1.00 74.23 C ATOM 623 CG LEU A 40 -12.406 5.030 -0.634 1.00 22.03 C ATOM 624 CD1 LEU A 40 -12.639 6.166 -1.596 1.00 41.31 C ATOM 625 CD2 LEU A 40 -13.642 4.174 -0.539 1.00 53.34 C ATOM 0 H LEU A 40 -9.044 2.795 -1.357 1.00 21.35 H new ATOM 0 HA LEU A 40 -10.981 3.147 0.828 1.00 73.51 H new ATOM 0 HB2 LEU A 40 -10.278 4.905 -0.941 1.00 74.23 H new ATOM 0 HB3 LEU A 40 -11.219 3.955 -2.074 1.00 74.23 H new ATOM 0 HG LEU A 40 -12.219 5.427 0.364 1.00 22.03 H new ATOM 0 HD11 LEU A 40 -13.537 6.711 -1.304 1.00 41.31 H new ATOM 0 HD12 LEU A 40 -11.783 6.840 -1.577 1.00 41.31 H new ATOM 0 HD13 LEU A 40 -12.767 5.769 -2.603 1.00 41.31 H new ATOM 0 HD21 LEU A 40 -14.494 4.795 -0.264 1.00 53.34 H new ATOM 0 HD22 LEU A 40 -13.833 3.702 -1.503 1.00 53.34 H new ATOM 0 HD23 LEU A 40 -13.494 3.405 0.219 1.00 53.34 H new ATOM 637 N CYS A 41 -12.280 1.111 0.152 1.00 13.24 N ATOM 638 CA CYS A 41 -13.064 -0.028 -0.193 1.00 42.32 C ATOM 639 C CYS A 41 -14.466 0.059 0.411 1.00 42.34 C ATOM 640 O CYS A 41 -14.627 0.117 1.627 1.00 34.41 O ATOM 641 CB CYS A 41 -12.331 -1.296 0.253 1.00 14.12 C ATOM 642 SG CYS A 41 -11.849 -1.296 1.991 1.00 14.22 S ATOM 0 H CYS A 41 -12.288 1.341 1.146 1.00 13.24 H new ATOM 0 HA CYS A 41 -13.194 -0.061 -1.275 1.00 42.32 H new ATOM 0 HB2 CYS A 41 -12.971 -2.158 0.065 1.00 14.12 H new ATOM 0 HB3 CYS A 41 -11.439 -1.422 -0.360 1.00 14.12 H new ATOM 0 HG CYS A 41 -12.033 -0.111 2.492 1.00 14.22 H new ATOM 648 N SER A 42 -15.473 0.141 -0.461 1.00 22.41 N ATOM 649 CA SER A 42 -16.892 0.149 -0.062 1.00 62.43 C ATOM 650 C SER A 42 -17.246 1.413 0.742 1.00 20.32 C ATOM 651 O SER A 42 -18.248 1.451 1.438 1.00 24.54 O ATOM 652 CB SER A 42 -17.221 -1.127 0.747 1.00 3.32 C ATOM 653 OG SER A 42 -16.874 -2.303 0.007 1.00 24.42 O ATOM 0 H SER A 42 -15.332 0.204 -1.469 1.00 22.41 H new ATOM 0 HA SER A 42 -17.499 0.160 -0.967 1.00 62.43 H new ATOM 0 HB2 SER A 42 -16.678 -1.114 1.692 1.00 3.32 H new ATOM 0 HB3 SER A 42 -18.283 -1.145 0.990 1.00 3.32 H new ATOM 0 HG SER A 42 -17.014 -3.095 0.567 1.00 24.42 H new ATOM 659 N GLY A 43 -16.427 2.445 0.609 1.00 21.32 N ATOM 660 CA GLY A 43 -16.666 3.688 1.319 1.00 44.23 C ATOM 661 C GLY A 43 -15.848 3.775 2.580 1.00 2.31 C ATOM 662 O GLY A 43 -15.807 4.813 3.251 1.00 64.25 O ATOM 0 H GLY A 43 -15.595 2.445 0.018 1.00 21.32 H new ATOM 0 HA2 GLY A 43 -16.425 4.530 0.670 1.00 44.23 H new ATOM 0 HA3 GLY A 43 -17.725 3.769 1.566 1.00 44.23 H new ATOM 666 N ARG A 44 -15.189 2.691 2.905 1.00 65.11 N ATOM 667 CA ARG A 44 -14.347 2.632 4.069 1.00 33.44 C ATOM 668 C ARG A 44 -12.922 2.641 3.581 1.00 34.43 C ATOM 669 O ARG A 44 -12.550 1.808 2.757 1.00 50.25 O ATOM 670 CB ARG A 44 -14.610 1.321 4.825 1.00 11.01 C ATOM 671 CG ARG A 44 -16.075 1.061 5.140 1.00 52.54 C ATOM 672 CD ARG A 44 -16.657 2.125 6.044 1.00 71.43 C ATOM 673 NE ARG A 44 -18.102 1.961 6.201 1.00 65.21 N ATOM 674 CZ ARG A 44 -18.858 2.579 7.104 1.00 23.42 C ATOM 675 NH1 ARG A 44 -18.302 3.354 8.039 1.00 60.44 N ATOM 676 NH2 ARG A 44 -20.176 2.411 7.075 1.00 12.51 N ATOM 0 H ARG A 44 -15.223 1.825 2.368 1.00 65.11 H new ATOM 0 HA ARG A 44 -14.544 3.471 4.736 1.00 33.44 H new ATOM 0 HB2 ARG A 44 -14.225 0.491 4.233 1.00 11.01 H new ATOM 0 HB3 ARG A 44 -14.047 1.335 5.758 1.00 11.01 H new ATOM 0 HG2 ARG A 44 -16.644 1.023 4.211 1.00 52.54 H new ATOM 0 HG3 ARG A 44 -16.176 0.086 5.616 1.00 52.54 H new ATOM 0 HD2 ARG A 44 -16.176 2.077 7.021 1.00 71.43 H new ATOM 0 HD3 ARG A 44 -16.444 3.111 5.631 1.00 71.43 H new ATOM 0 HE ARG A 44 -18.570 1.317 5.563 1.00 65.21 H new ATOM 0 HH11 ARG A 44 -17.290 3.476 8.065 1.00 60.44 H new ATOM 0 HH12 ARG A 44 -18.890 3.824 8.727 1.00 60.44 H new ATOM 0 HH21 ARG A 44 -20.598 1.813 6.365 1.00 12.51 H new ATOM 0 HH22 ARG A 44 -20.765 2.880 7.763 1.00 12.51 H new ATOM 690 N ARG A 45 -12.129 3.552 4.050 1.00 22.25 N ATOM 691 CA ARG A 45 -10.766 3.613 3.599 1.00 2.43 C ATOM 692 C ARG A 45 -9.836 3.485 4.769 1.00 72.20 C ATOM 693 O ARG A 45 -10.160 3.926 5.881 1.00 65.31 O ATOM 694 CB ARG A 45 -10.474 4.913 2.834 1.00 35.03 C ATOM 695 CG ARG A 45 -10.529 6.177 3.677 1.00 65.03 C ATOM 696 CD ARG A 45 -10.176 7.397 2.858 1.00 2.44 C ATOM 697 NE ARG A 45 -11.184 7.721 1.856 1.00 54.32 N ATOM 698 CZ ARG A 45 -10.975 8.515 0.805 1.00 22.32 C ATOM 699 NH1 ARG A 45 -9.747 8.928 0.496 1.00 4.12 N ATOM 700 NH2 ARG A 45 -11.987 8.868 0.040 1.00 54.22 N ATOM 0 H ARG A 45 -12.393 4.258 4.737 1.00 22.25 H new ATOM 0 HA ARG A 45 -10.606 2.783 2.911 1.00 2.43 H new ATOM 0 HB2 ARG A 45 -9.485 4.837 2.382 1.00 35.03 H new ATOM 0 HB3 ARG A 45 -11.191 5.006 2.018 1.00 35.03 H new ATOM 0 HG2 ARG A 45 -11.528 6.294 4.096 1.00 65.03 H new ATOM 0 HG3 ARG A 45 -9.839 6.088 4.516 1.00 65.03 H new ATOM 0 HD2 ARG A 45 -10.046 8.250 3.524 1.00 2.44 H new ATOM 0 HD3 ARG A 45 -9.219 7.231 2.363 1.00 2.44 H new ATOM 0 HE ARG A 45 -12.112 7.313 1.966 1.00 54.32 H new ATOM 0 HH11 ARG A 45 -8.953 8.637 1.066 1.00 4.12 H new ATOM 0 HH12 ARG A 45 -9.601 9.535 -0.311 1.00 4.12 H new ATOM 0 HH21 ARG A 45 -12.927 8.534 0.252 1.00 54.22 H new ATOM 0 HH22 ARG A 45 -11.831 9.475 -0.765 1.00 54.22 H new ATOM 714 N HIS A 46 -8.710 2.880 4.551 1.00 43.44 N ATOM 715 CA HIS A 46 -7.743 2.753 5.596 1.00 63.40 C ATOM 716 C HIS A 46 -6.391 3.161 5.041 1.00 10.12 C ATOM 717 O HIS A 46 -5.915 2.591 4.050 1.00 50.33 O ATOM 718 CB HIS A 46 -7.731 1.315 6.162 1.00 50.45 C ATOM 719 CG HIS A 46 -7.035 1.176 7.489 1.00 44.44 C ATOM 720 ND1 HIS A 46 -5.922 0.503 7.846 1.00 3.34 N flip ATOM 721 CD2 HIS A 46 -7.490 1.780 8.641 1.00 75.23 C flip ATOM 722 CE1 HIS A 46 -5.730 0.714 9.183 1.00 51.43 C flip ATOM 723 NE2 HIS A 46 -6.689 1.488 9.638 1.00 30.11 N flip ATOM 0 H HIS A 46 -8.438 2.466 3.659 1.00 43.44 H new ATOM 0 HA HIS A 46 -7.997 3.407 6.430 1.00 63.40 H new ATOM 0 HB2 HIS A 46 -8.760 0.970 6.267 1.00 50.45 H new ATOM 0 HB3 HIS A 46 -7.246 0.657 5.440 1.00 50.45 H new ATOM 0 HD2 HIS A 46 -8.372 2.399 8.712 1.00 75.23 H new ATOM 0 HE1 HIS A 46 -4.920 0.309 9.771 1.00 51.43 H new ATOM 0 HE2 HIS A 46 -6.793 1.807 10.601 1.00 30.11 H new ATOM 732 N THR A 47 -5.821 4.171 5.644 1.00 62.52 N ATOM 733 CA THR A 47 -4.544 4.716 5.251 1.00 12.24 C ATOM 734 C THR A 47 -3.456 3.875 5.927 1.00 14.12 C ATOM 735 O THR A 47 -3.353 3.864 7.160 1.00 2.34 O ATOM 736 CB THR A 47 -4.450 6.175 5.754 1.00 70.04 C ATOM 737 OG1 THR A 47 -5.684 6.877 5.438 1.00 52.12 O ATOM 738 CG2 THR A 47 -3.281 6.898 5.099 1.00 31.10 C ATOM 0 H THR A 47 -6.240 4.650 6.441 1.00 62.52 H new ATOM 0 HA THR A 47 -4.425 4.698 4.168 1.00 12.24 H new ATOM 0 HB THR A 47 -4.293 6.160 6.833 1.00 70.04 H new ATOM 0 HG1 THR A 47 -5.737 7.026 4.471 1.00 52.12 H new ATOM 0 HG21 THR A 47 -3.234 7.923 5.468 1.00 31.10 H new ATOM 0 HG22 THR A 47 -2.352 6.382 5.342 1.00 31.10 H new ATOM 0 HG23 THR A 47 -3.419 6.907 4.018 1.00 31.10 H new ATOM 746 N VAL A 48 -2.689 3.145 5.151 1.00 22.43 N ATOM 747 CA VAL A 48 -1.722 2.227 5.714 1.00 32.24 C ATOM 748 C VAL A 48 -0.293 2.621 5.316 1.00 31.30 C ATOM 749 O VAL A 48 0.079 2.516 4.147 1.00 13.12 O ATOM 750 CB VAL A 48 -1.993 0.790 5.206 1.00 13.41 C ATOM 751 CG1 VAL A 48 -1.199 -0.232 6.003 1.00 45.23 C ATOM 752 CG2 VAL A 48 -3.475 0.478 5.240 1.00 53.12 C ATOM 0 H VAL A 48 -2.714 3.167 4.132 1.00 22.43 H new ATOM 0 HA VAL A 48 -1.820 2.268 6.799 1.00 32.24 H new ATOM 0 HB VAL A 48 -1.660 0.731 4.170 1.00 13.41 H new ATOM 0 HG11 VAL A 48 -1.409 -1.232 5.624 1.00 45.23 H new ATOM 0 HG12 VAL A 48 -0.134 -0.023 5.904 1.00 45.23 H new ATOM 0 HG13 VAL A 48 -1.484 -0.175 7.054 1.00 45.23 H new ATOM 0 HG21 VAL A 48 -3.642 -0.537 4.879 1.00 53.12 H new ATOM 0 HG22 VAL A 48 -3.841 0.564 6.263 1.00 53.12 H new ATOM 0 HG23 VAL A 48 -4.010 1.182 4.603 1.00 53.12 H new ATOM 762 N PRO A 49 0.523 3.103 6.268 1.00 60.15 N ATOM 763 CA PRO A 49 1.927 3.430 6.009 1.00 72.32 C ATOM 764 C PRO A 49 2.727 2.157 5.765 1.00 24.14 C ATOM 765 O PRO A 49 2.932 1.355 6.684 1.00 51.44 O ATOM 766 CB PRO A 49 2.398 4.108 7.308 1.00 12.24 C ATOM 767 CG PRO A 49 1.153 4.406 8.072 1.00 24.20 C ATOM 768 CD PRO A 49 0.151 3.374 7.660 1.00 43.53 C ATOM 0 HA PRO A 49 2.057 4.062 5.130 1.00 72.32 H new ATOM 0 HB2 PRO A 49 3.060 3.454 7.875 1.00 12.24 H new ATOM 0 HB3 PRO A 49 2.956 5.020 7.095 1.00 12.24 H new ATOM 0 HG2 PRO A 49 1.336 4.364 9.146 1.00 24.20 H new ATOM 0 HG3 PRO A 49 0.791 5.410 7.850 1.00 24.20 H new ATOM 0 HD2 PRO A 49 0.214 2.478 8.278 1.00 43.53 H new ATOM 0 HD3 PRO A 49 -0.870 3.746 7.741 1.00 43.53 H new ATOM 776 N ARG A 50 3.148 1.955 4.543 1.00 2.54 N ATOM 777 CA ARG A 50 3.852 0.756 4.177 1.00 15.52 C ATOM 778 C ARG A 50 5.234 1.066 3.723 1.00 51.24 C ATOM 779 O ARG A 50 5.470 2.038 3.014 1.00 35.24 O ATOM 780 CB ARG A 50 3.112 0.005 3.070 1.00 3.31 C ATOM 781 CG ARG A 50 1.711 -0.401 3.449 1.00 51.14 C ATOM 782 CD ARG A 50 1.701 -1.346 4.635 1.00 65.32 C ATOM 783 NE ARG A 50 2.308 -2.637 4.332 1.00 0.21 N ATOM 784 CZ ARG A 50 2.328 -3.662 5.188 1.00 61.25 C ATOM 785 NH1 ARG A 50 1.889 -3.505 6.426 1.00 14.42 N ATOM 786 NH2 ARG A 50 2.806 -4.835 4.806 1.00 1.24 N ATOM 0 H ARG A 50 3.013 2.615 3.777 1.00 2.54 H new ATOM 0 HA ARG A 50 3.903 0.125 5.064 1.00 15.52 H new ATOM 0 HB2 ARG A 50 3.071 0.634 2.181 1.00 3.31 H new ATOM 0 HB3 ARG A 50 3.680 -0.886 2.804 1.00 3.31 H new ATOM 0 HG2 ARG A 50 1.127 0.488 3.687 1.00 51.14 H new ATOM 0 HG3 ARG A 50 1.229 -0.881 2.598 1.00 51.14 H new ATOM 0 HD2 ARG A 50 2.234 -0.885 5.466 1.00 65.32 H new ATOM 0 HD3 ARG A 50 0.673 -1.501 4.962 1.00 65.32 H new ATOM 0 HE ARG A 50 2.741 -2.764 3.417 1.00 0.21 H new ATOM 0 HH11 ARG A 50 1.533 -2.599 6.730 1.00 14.42 H new ATOM 0 HH12 ARG A 50 1.906 -4.290 7.077 1.00 14.42 H new ATOM 0 HH21 ARG A 50 3.160 -4.957 3.857 1.00 1.24 H new ATOM 0 HH22 ARG A 50 2.821 -5.617 5.460 1.00 1.24 H new ATOM 800 N ARG A 51 6.141 0.255 4.129 1.00 71.34 N ATOM 801 CA ARG A 51 7.492 0.392 3.718 1.00 5.31 C ATOM 802 C ARG A 51 7.780 -0.504 2.531 1.00 42.21 C ATOM 803 O ARG A 51 7.047 -1.477 2.274 1.00 73.42 O ATOM 804 CB ARG A 51 8.444 0.154 4.878 1.00 30.44 C ATOM 805 CG ARG A 51 8.216 -1.124 5.638 1.00 51.24 C ATOM 806 CD ARG A 51 9.190 -1.238 6.783 1.00 1.01 C ATOM 807 NE ARG A 51 8.821 -2.313 7.720 1.00 33.03 N ATOM 808 CZ ARG A 51 8.630 -2.139 9.049 1.00 2.34 C ATOM 809 NH1 ARG A 51 8.775 -0.931 9.601 1.00 1.45 N ATOM 810 NH2 ARG A 51 8.284 -3.167 9.809 1.00 35.32 N ATOM 0 H ARG A 51 5.967 -0.528 4.760 1.00 71.34 H new ATOM 0 HA ARG A 51 7.657 1.418 3.390 1.00 5.31 H new ATOM 0 HB2 ARG A 51 9.465 0.154 4.496 1.00 30.44 H new ATOM 0 HB3 ARG A 51 8.363 0.991 5.572 1.00 30.44 H new ATOM 0 HG2 ARG A 51 7.195 -1.151 6.018 1.00 51.24 H new ATOM 0 HG3 ARG A 51 8.330 -1.977 4.969 1.00 51.24 H new ATOM 0 HD2 ARG A 51 10.189 -1.427 6.391 1.00 1.01 H new ATOM 0 HD3 ARG A 51 9.232 -0.290 7.319 1.00 1.01 H new ATOM 0 HE ARG A 51 8.701 -3.253 7.342 1.00 33.03 H new ATOM 0 HH11 ARG A 51 9.031 -0.132 9.020 1.00 1.45 H new ATOM 0 HH12 ARG A 51 8.629 -0.807 10.603 1.00 1.45 H new ATOM 0 HH21 ARG A 51 8.161 -4.090 9.393 1.00 35.32 H new ATOM 0 HH22 ARG A 51 8.140 -3.035 10.810 1.00 35.32 H new ATOM 824 N TYR A 52 8.842 -0.187 1.822 1.00 3.11 N ATOM 825 CA TYR A 52 9.192 -0.863 0.582 1.00 70.42 C ATOM 826 C TYR A 52 9.479 -2.353 0.839 1.00 44.31 C ATOM 827 O TYR A 52 9.072 -3.214 0.049 1.00 20.53 O ATOM 828 CB TYR A 52 10.409 -0.172 -0.053 1.00 31.03 C ATOM 829 CG TYR A 52 10.728 -0.571 -1.489 1.00 62.24 C ATOM 830 CD1 TYR A 52 11.200 -1.840 -1.806 1.00 23.12 C ATOM 831 CD2 TYR A 52 10.555 0.336 -2.529 1.00 24.13 C ATOM 832 CE1 TYR A 52 11.490 -2.196 -3.103 1.00 0.30 C ATOM 833 CE2 TYR A 52 10.848 -0.018 -3.836 1.00 61.21 C ATOM 834 CZ TYR A 52 11.310 -1.284 -4.112 1.00 63.14 C ATOM 835 OH TYR A 52 11.615 -1.627 -5.402 1.00 4.20 O ATOM 0 H TYR A 52 9.494 0.551 2.088 1.00 3.11 H new ATOM 0 HA TYR A 52 8.351 -0.802 -0.109 1.00 70.42 H new ATOM 0 HB2 TYR A 52 10.247 0.905 -0.023 1.00 31.03 H new ATOM 0 HB3 TYR A 52 11.283 -0.380 0.564 1.00 31.03 H new ATOM 0 HD1 TYR A 52 11.342 -2.563 -1.016 1.00 23.12 H new ATOM 0 HD2 TYR A 52 10.188 1.329 -2.315 1.00 24.13 H new ATOM 0 HE1 TYR A 52 11.857 -3.187 -3.325 1.00 0.30 H new ATOM 0 HE2 TYR A 52 10.714 0.697 -4.635 1.00 61.21 H new ATOM 0 HH TYR A 52 12.021 -2.519 -5.416 1.00 4.20 H new ATOM 845 N SER A 53 10.155 -2.648 1.954 1.00 42.12 N ATOM 846 CA SER A 53 10.483 -4.024 2.319 1.00 53.13 C ATOM 847 C SER A 53 9.205 -4.887 2.436 1.00 63.52 C ATOM 848 O SER A 53 9.175 -6.060 2.015 1.00 74.22 O ATOM 849 CB SER A 53 11.272 -4.047 3.641 1.00 20.44 C ATOM 850 OG SER A 53 12.482 -3.286 3.549 1.00 51.30 O ATOM 0 H SER A 53 10.485 -1.948 2.619 1.00 42.12 H new ATOM 0 HA SER A 53 11.104 -4.449 1.530 1.00 53.13 H new ATOM 0 HB2 SER A 53 10.651 -3.647 4.443 1.00 20.44 H new ATOM 0 HB3 SER A 53 11.509 -5.077 3.905 1.00 20.44 H new ATOM 0 HG SER A 53 12.265 -2.332 3.486 1.00 51.30 H new ATOM 856 N GLU A 54 8.146 -4.300 2.952 1.00 3.54 N ATOM 857 CA GLU A 54 6.918 -5.025 3.124 1.00 54.40 C ATOM 858 C GLU A 54 6.201 -5.235 1.808 1.00 41.42 C ATOM 859 O GLU A 54 5.634 -6.300 1.582 1.00 12.50 O ATOM 860 CB GLU A 54 6.018 -4.387 4.157 1.00 55.33 C ATOM 861 CG GLU A 54 6.642 -4.345 5.532 1.00 3.51 C ATOM 862 CD GLU A 54 5.711 -3.804 6.568 1.00 71.13 C ATOM 863 OE1 GLU A 54 5.509 -2.585 6.613 1.00 33.13 O ATOM 864 OE2 GLU A 54 5.185 -4.606 7.373 1.00 14.01 O ATOM 0 H GLU A 54 8.116 -3.327 3.257 1.00 3.54 H new ATOM 0 HA GLU A 54 7.186 -6.010 3.506 1.00 54.40 H new ATOM 0 HB2 GLU A 54 5.774 -3.372 3.843 1.00 55.33 H new ATOM 0 HB3 GLU A 54 5.080 -4.940 4.206 1.00 55.33 H new ATOM 0 HG2 GLU A 54 6.953 -5.350 5.817 1.00 3.51 H new ATOM 0 HG3 GLU A 54 7.542 -3.730 5.500 1.00 3.51 H new ATOM 871 N PHE A 55 6.221 -4.231 0.919 1.00 4.20 N ATOM 872 CA PHE A 55 5.624 -4.418 -0.384 1.00 73.31 C ATOM 873 C PHE A 55 6.423 -5.455 -1.181 1.00 25.11 C ATOM 874 O PHE A 55 5.882 -6.164 -2.041 1.00 2.34 O ATOM 875 CB PHE A 55 5.503 -3.110 -1.187 1.00 65.23 C ATOM 876 CG PHE A 55 4.775 -3.346 -2.483 1.00 74.44 C ATOM 877 CD1 PHE A 55 3.406 -3.427 -2.487 1.00 60.43 C ATOM 878 CD2 PHE A 55 5.460 -3.540 -3.676 1.00 33.23 C ATOM 879 CE1 PHE A 55 2.715 -3.691 -3.644 1.00 64.01 C ATOM 880 CE2 PHE A 55 4.777 -3.812 -4.844 1.00 3.34 C ATOM 881 CZ PHE A 55 3.400 -3.888 -4.829 1.00 34.34 C ATOM 0 H PHE A 55 6.634 -3.313 1.083 1.00 4.20 H new ATOM 0 HA PHE A 55 4.608 -4.777 -0.218 1.00 73.31 H new ATOM 0 HB2 PHE A 55 4.972 -2.363 -0.597 1.00 65.23 H new ATOM 0 HB3 PHE A 55 6.496 -2.709 -1.390 1.00 65.23 H new ATOM 0 HD1 PHE A 55 2.862 -3.281 -1.565 1.00 60.43 H new ATOM 0 HD2 PHE A 55 6.538 -3.477 -3.690 1.00 33.23 H new ATOM 0 HE1 PHE A 55 1.636 -3.745 -3.628 1.00 64.01 H new ATOM 0 HE2 PHE A 55 5.319 -3.965 -5.766 1.00 3.34 H new ATOM 0 HZ PHE A 55 2.859 -4.101 -5.739 1.00 34.34 H new ATOM 891 N HIS A 56 7.712 -5.526 -0.901 1.00 20.24 N ATOM 892 CA HIS A 56 8.584 -6.480 -1.548 1.00 2.23 C ATOM 893 C HIS A 56 8.056 -7.904 -1.309 1.00 33.31 C ATOM 894 O HIS A 56 7.844 -8.672 -2.259 1.00 42.03 O ATOM 895 CB HIS A 56 10.025 -6.330 -1.030 1.00 61.02 C ATOM 896 CG HIS A 56 11.033 -7.161 -1.761 1.00 73.42 C ATOM 897 ND1 HIS A 56 11.494 -8.369 -1.307 1.00 55.43 N ATOM 898 CD2 HIS A 56 11.682 -6.928 -2.926 1.00 70.43 C ATOM 899 CE1 HIS A 56 12.378 -8.845 -2.149 1.00 72.15 C ATOM 900 NE2 HIS A 56 12.511 -7.994 -3.141 1.00 41.52 N ATOM 0 H HIS A 56 8.179 -4.925 -0.221 1.00 20.24 H new ATOM 0 HA HIS A 56 8.596 -6.287 -2.621 1.00 2.23 H new ATOM 0 HB2 HIS A 56 10.316 -5.282 -1.100 1.00 61.02 H new ATOM 0 HB3 HIS A 56 10.048 -6.598 0.026 1.00 61.02 H new ATOM 0 HD1 HIS A 56 11.195 -8.827 -0.446 1.00 55.43 H new ATOM 0 HD2 HIS A 56 11.567 -6.064 -3.564 1.00 70.43 H new ATOM 0 HE1 HIS A 56 12.908 -9.780 -2.045 1.00 72.15 H new ATOM 909 N ALA A 57 7.814 -8.229 -0.056 1.00 11.54 N ATOM 910 CA ALA A 57 7.286 -9.546 0.298 1.00 64.31 C ATOM 911 C ALA A 57 5.835 -9.716 -0.149 1.00 10.40 C ATOM 912 O ALA A 57 5.426 -10.810 -0.563 1.00 2.14 O ATOM 913 CB ALA A 57 7.456 -9.831 1.774 1.00 30.03 C ATOM 0 H ALA A 57 7.971 -7.607 0.737 1.00 11.54 H new ATOM 0 HA ALA A 57 7.873 -10.286 -0.245 1.00 64.31 H new ATOM 0 HB1 ALA A 57 7.053 -10.818 2.003 1.00 30.03 H new ATOM 0 HB2 ALA A 57 8.515 -9.803 2.030 1.00 30.03 H new ATOM 0 HB3 ALA A 57 6.923 -9.078 2.354 1.00 30.03 H new ATOM 919 N LEU A 58 5.076 -8.633 -0.079 1.00 61.25 N ATOM 920 CA LEU A 58 3.688 -8.616 -0.523 1.00 41.33 C ATOM 921 C LEU A 58 3.597 -9.047 -1.977 1.00 14.33 C ATOM 922 O LEU A 58 2.783 -9.909 -2.328 1.00 74.20 O ATOM 923 CB LEU A 58 3.108 -7.203 -0.311 1.00 21.45 C ATOM 924 CG LEU A 58 1.716 -6.869 -0.894 1.00 13.10 C ATOM 925 CD1 LEU A 58 0.651 -7.843 -0.438 1.00 42.24 C ATOM 926 CD2 LEU A 58 1.325 -5.473 -0.469 1.00 51.21 C ATOM 0 H LEU A 58 5.404 -7.739 0.287 1.00 61.25 H new ATOM 0 HA LEU A 58 3.100 -9.323 0.063 1.00 41.33 H new ATOM 0 HB2 LEU A 58 3.067 -7.022 0.763 1.00 21.45 H new ATOM 0 HB3 LEU A 58 3.819 -6.490 -0.728 1.00 21.45 H new ATOM 0 HG LEU A 58 1.786 -6.942 -1.979 1.00 13.10 H new ATOM 0 HD11 LEU A 58 -0.308 -7.565 -0.875 1.00 42.24 H new ATOM 0 HD12 LEU A 58 0.917 -8.850 -0.759 1.00 42.24 H new ATOM 0 HD13 LEU A 58 0.575 -7.817 0.649 1.00 42.24 H new ATOM 0 HD21 LEU A 58 0.344 -5.230 -0.877 1.00 51.21 H new ATOM 0 HD22 LEU A 58 1.289 -5.421 0.619 1.00 51.21 H new ATOM 0 HD23 LEU A 58 2.060 -4.760 -0.843 1.00 51.21 H new ATOM 938 N HIS A 59 4.470 -8.494 -2.813 1.00 60.40 N ATOM 939 CA HIS A 59 4.450 -8.842 -4.215 1.00 2.23 C ATOM 940 C HIS A 59 4.882 -10.279 -4.453 1.00 31.40 C ATOM 941 O HIS A 59 4.387 -10.927 -5.363 1.00 71.54 O ATOM 942 CB HIS A 59 5.172 -7.832 -5.142 1.00 15.43 C ATOM 943 CG HIS A 59 6.676 -7.748 -5.097 1.00 61.43 C ATOM 944 ND1 HIS A 59 7.634 -8.610 -5.521 1.00 3.23 N flip ATOM 945 CD2 HIS A 59 7.342 -6.612 -4.700 1.00 2.21 C flip ATOM 946 CE1 HIS A 59 8.839 -7.976 -5.380 1.00 32.22 C flip ATOM 947 NE2 HIS A 59 8.636 -6.779 -4.888 1.00 22.44 N flip ATOM 0 H HIS A 59 5.184 -7.817 -2.544 1.00 60.40 H new ATOM 0 HA HIS A 59 3.403 -8.769 -4.510 1.00 2.23 H new ATOM 0 HB2 HIS A 59 4.886 -8.063 -6.168 1.00 15.43 H new ATOM 0 HB3 HIS A 59 4.780 -6.840 -4.918 1.00 15.43 H new ATOM 0 HD2 HIS A 59 6.878 -5.724 -4.298 1.00 2.21 H new ATOM 0 HE1 HIS A 59 9.802 -8.395 -5.633 1.00 32.22 H new ATOM 0 HE2 HIS A 59 9.360 -6.090 -4.684 1.00 22.44 H new ATOM 956 N LYS A 60 5.818 -10.774 -3.640 1.00 71.13 N ATOM 957 CA LYS A 60 6.275 -12.160 -3.780 1.00 61.15 C ATOM 958 C LYS A 60 5.159 -13.172 -3.575 1.00 55.12 C ATOM 959 O LYS A 60 5.088 -14.173 -4.286 1.00 54.23 O ATOM 960 CB LYS A 60 7.462 -12.493 -2.873 1.00 41.50 C ATOM 961 CG LYS A 60 8.762 -11.793 -3.240 1.00 43.54 C ATOM 962 CD LYS A 60 9.155 -12.059 -4.699 1.00 71.11 C ATOM 963 CE LYS A 60 9.219 -13.557 -5.039 1.00 50.13 C ATOM 964 NZ LYS A 60 10.239 -14.284 -4.238 1.00 41.44 N ATOM 0 H LYS A 60 6.268 -10.248 -2.891 1.00 71.13 H new ATOM 0 HA LYS A 60 6.614 -12.238 -4.813 1.00 61.15 H new ATOM 0 HB2 LYS A 60 7.202 -12.231 -1.847 1.00 41.50 H new ATOM 0 HB3 LYS A 60 7.627 -13.570 -2.895 1.00 41.50 H new ATOM 0 HG2 LYS A 60 8.655 -10.720 -3.081 1.00 43.54 H new ATOM 0 HG3 LYS A 60 9.559 -12.135 -2.580 1.00 43.54 H new ATOM 0 HD2 LYS A 60 8.436 -11.573 -5.358 1.00 71.11 H new ATOM 0 HD3 LYS A 60 10.126 -11.605 -4.897 1.00 71.11 H new ATOM 0 HE2 LYS A 60 8.241 -14.006 -4.868 1.00 50.13 H new ATOM 0 HE3 LYS A 60 9.443 -13.676 -6.099 1.00 50.13 H new ATOM 0 HZ1 LYS A 60 10.240 -15.289 -4.507 1.00 41.44 H new ATOM 0 HZ2 LYS A 60 11.178 -13.876 -4.419 1.00 41.44 H new ATOM 0 HZ3 LYS A 60 10.013 -14.197 -3.227 1.00 41.44 H new ATOM 978 N ARG A 61 4.291 -12.919 -2.628 1.00 4.12 N ATOM 979 CA ARG A 61 3.189 -13.829 -2.382 1.00 10.01 C ATOM 980 C ARG A 61 2.147 -13.756 -3.470 1.00 2.15 C ATOM 981 O ARG A 61 1.685 -14.789 -3.986 1.00 70.44 O ATOM 982 CB ARG A 61 2.521 -13.562 -1.043 1.00 3.22 C ATOM 983 CG ARG A 61 3.350 -13.895 0.168 1.00 52.55 C ATOM 984 CD ARG A 61 2.549 -13.629 1.417 1.00 52.34 C ATOM 985 NE ARG A 61 3.225 -14.079 2.625 1.00 11.00 N ATOM 986 CZ ARG A 61 2.618 -14.250 3.798 1.00 0.24 C ATOM 987 NH1 ARG A 61 1.318 -14.002 3.919 1.00 44.02 N ATOM 988 NH2 ARG A 61 3.304 -14.694 4.840 1.00 41.13 N ATOM 0 H ARG A 61 4.320 -12.102 -2.018 1.00 4.12 H new ATOM 0 HA ARG A 61 3.624 -14.828 -2.370 1.00 10.01 H new ATOM 0 HB2 ARG A 61 2.247 -12.508 -0.996 1.00 3.22 H new ATOM 0 HB3 ARG A 61 1.595 -14.135 -0.997 1.00 3.22 H new ATOM 0 HG2 ARG A 61 3.656 -14.941 0.136 1.00 52.55 H new ATOM 0 HG3 ARG A 61 4.261 -13.297 0.174 1.00 52.55 H new ATOM 0 HD2 ARG A 61 2.349 -12.560 1.494 1.00 52.34 H new ATOM 0 HD3 ARG A 61 1.584 -14.129 1.338 1.00 52.34 H new ATOM 0 HE ARG A 61 4.224 -14.275 2.570 1.00 11.00 H new ATOM 0 HH11 ARG A 61 0.783 -13.680 3.112 1.00 44.02 H new ATOM 0 HH12 ARG A 61 0.855 -14.134 4.818 1.00 44.02 H new ATOM 0 HH21 ARG A 61 4.297 -14.905 4.744 1.00 41.13 H new ATOM 0 HH22 ARG A 61 2.839 -14.825 5.738 1.00 41.13 H new ATOM 1002 N ILE A 62 1.788 -12.559 -3.843 1.00 73.30 N ATOM 1003 CA ILE A 62 0.705 -12.384 -4.762 1.00 10.44 C ATOM 1004 C ILE A 62 1.044 -12.638 -6.203 1.00 14.11 C ATOM 1005 O ILE A 62 0.141 -12.884 -6.981 1.00 3.42 O ATOM 1006 CB ILE A 62 -0.007 -11.056 -4.624 1.00 14.23 C ATOM 1007 CG1 ILE A 62 0.925 -9.894 -4.885 1.00 70.01 C ATOM 1008 CG2 ILE A 62 -0.630 -10.940 -3.258 1.00 42.32 C ATOM 1009 CD1 ILE A 62 0.212 -8.591 -4.835 1.00 1.01 C ATOM 0 H ILE A 62 2.229 -11.696 -3.525 1.00 73.30 H new ATOM 0 HA ILE A 62 0.017 -13.172 -4.458 1.00 10.44 H new ATOM 0 HB ILE A 62 -0.794 -11.018 -5.377 1.00 14.23 H new ATOM 0 HG12 ILE A 62 1.726 -9.898 -4.146 1.00 70.01 H new ATOM 0 HG13 ILE A 62 1.392 -10.015 -5.862 1.00 70.01 H new ATOM 0 HG21 ILE A 62 -1.139 -9.980 -3.171 1.00 42.32 H new ATOM 0 HG22 ILE A 62 -1.349 -11.747 -3.116 1.00 42.32 H new ATOM 0 HG23 ILE A 62 0.147 -11.009 -2.497 1.00 42.32 H new ATOM 0 HD11 ILE A 62 0.917 -7.783 -5.028 1.00 1.01 H new ATOM 0 HD12 ILE A 62 -0.572 -8.576 -5.592 1.00 1.01 H new ATOM 0 HD13 ILE A 62 -0.233 -8.457 -3.849 1.00 1.01 H new ATOM 1021 N LYS A 63 2.324 -12.593 -6.569 1.00 73.20 N ATOM 1022 CA LYS A 63 2.705 -12.859 -7.963 1.00 31.21 C ATOM 1023 C LYS A 63 2.266 -14.251 -8.387 1.00 72.12 C ATOM 1024 O LYS A 63 1.957 -14.491 -9.560 1.00 74.14 O ATOM 1025 CB LYS A 63 4.212 -12.639 -8.221 1.00 43.41 C ATOM 1026 CG LYS A 63 5.150 -13.498 -7.375 1.00 62.50 C ATOM 1027 CD LYS A 63 6.620 -13.197 -7.675 1.00 3.51 C ATOM 1028 CE LYS A 63 7.034 -13.627 -9.083 1.00 4.24 C ATOM 1029 NZ LYS A 63 6.968 -15.099 -9.256 1.00 54.01 N ATOM 0 H LYS A 63 3.100 -12.381 -5.942 1.00 73.20 H new ATOM 0 HA LYS A 63 2.180 -12.131 -8.581 1.00 31.21 H new ATOM 0 HB2 LYS A 63 4.416 -12.835 -9.274 1.00 43.41 H new ATOM 0 HB3 LYS A 63 4.445 -11.590 -8.041 1.00 43.41 H new ATOM 0 HG2 LYS A 63 4.951 -13.321 -6.318 1.00 62.50 H new ATOM 0 HG3 LYS A 63 4.948 -14.552 -7.565 1.00 62.50 H new ATOM 0 HD2 LYS A 63 6.799 -12.128 -7.558 1.00 3.51 H new ATOM 0 HD3 LYS A 63 7.248 -13.707 -6.944 1.00 3.51 H new ATOM 0 HE2 LYS A 63 6.384 -13.146 -9.815 1.00 4.24 H new ATOM 0 HE3 LYS A 63 8.049 -13.283 -9.283 1.00 4.24 H new ATOM 0 HZ1 LYS A 63 7.414 -15.363 -10.158 1.00 54.01 H new ATOM 0 HZ2 LYS A 63 7.470 -15.563 -8.473 1.00 54.01 H new ATOM 0 HZ3 LYS A 63 5.974 -15.404 -9.259 1.00 54.01 H new ATOM 1043 N LYS A 64 2.254 -15.163 -7.434 1.00 12.25 N ATOM 1044 CA LYS A 64 1.766 -16.506 -7.680 1.00 3.51 C ATOM 1045 C LYS A 64 0.241 -16.543 -7.384 1.00 22.04 C ATOM 1046 O LYS A 64 -0.520 -17.238 -8.058 1.00 42.02 O ATOM 1047 CB LYS A 64 2.531 -17.497 -6.752 1.00 71.22 C ATOM 1048 CG LYS A 64 2.477 -19.004 -7.133 1.00 23.10 C ATOM 1049 CD LYS A 64 1.090 -19.649 -7.090 1.00 3.23 C ATOM 1050 CE LYS A 64 0.484 -19.628 -5.701 1.00 53.23 C ATOM 1051 NZ LYS A 64 -0.829 -20.306 -5.669 1.00 70.05 N ATOM 0 H LYS A 64 2.577 -14.998 -6.481 1.00 12.25 H new ATOM 0 HA LYS A 64 1.933 -16.795 -8.718 1.00 3.51 H new ATOM 0 HB2 LYS A 64 3.577 -17.193 -6.720 1.00 71.22 H new ATOM 0 HB3 LYS A 64 2.137 -17.388 -5.742 1.00 71.22 H new ATOM 0 HG2 LYS A 64 2.881 -19.120 -8.139 1.00 23.10 H new ATOM 0 HG3 LYS A 64 3.135 -19.554 -6.460 1.00 23.10 H new ATOM 0 HD2 LYS A 64 0.428 -19.126 -7.780 1.00 3.23 H new ATOM 0 HD3 LYS A 64 1.161 -20.680 -7.436 1.00 3.23 H new ATOM 0 HE2 LYS A 64 1.162 -20.115 -5.000 1.00 53.23 H new ATOM 0 HE3 LYS A 64 0.369 -18.596 -5.369 1.00 53.23 H new ATOM 0 HZ1 LYS A 64 -1.214 -20.272 -4.703 1.00 70.05 H new ATOM 0 HZ2 LYS A 64 -1.483 -19.826 -6.319 1.00 70.05 H new ATOM 0 HZ3 LYS A 64 -0.715 -21.297 -5.962 1.00 70.05 H new ATOM 1065 N LEU A 65 -0.177 -15.760 -6.392 1.00 44.34 N ATOM 1066 CA LEU A 65 -1.560 -15.768 -5.887 1.00 21.25 C ATOM 1067 C LEU A 65 -2.549 -15.235 -6.947 1.00 23.41 C ATOM 1068 O LEU A 65 -3.448 -15.958 -7.380 1.00 1.34 O ATOM 1069 CB LEU A 65 -1.645 -14.916 -4.588 1.00 5.25 C ATOM 1070 CG LEU A 65 -2.839 -15.137 -3.611 1.00 24.20 C ATOM 1071 CD1 LEU A 65 -4.200 -14.875 -4.239 1.00 14.03 C ATOM 1072 CD2 LEU A 65 -2.777 -16.520 -3.004 1.00 14.12 C ATOM 0 H LEU A 65 0.431 -15.098 -5.910 1.00 44.34 H new ATOM 0 HA LEU A 65 -1.840 -16.798 -5.664 1.00 21.25 H new ATOM 0 HB2 LEU A 65 -0.726 -15.082 -4.026 1.00 5.25 H new ATOM 0 HB3 LEU A 65 -1.653 -13.867 -4.884 1.00 5.25 H new ATOM 0 HG LEU A 65 -2.731 -14.393 -2.821 1.00 24.20 H new ATOM 0 HD11 LEU A 65 -4.982 -15.049 -3.499 1.00 14.03 H new ATOM 0 HD12 LEU A 65 -4.249 -13.842 -4.583 1.00 14.03 H new ATOM 0 HD13 LEU A 65 -4.345 -15.546 -5.085 1.00 14.03 H new ATOM 0 HD21 LEU A 65 -3.618 -16.657 -2.324 1.00 14.12 H new ATOM 0 HD22 LEU A 65 -2.825 -17.267 -3.796 1.00 14.12 H new ATOM 0 HD23 LEU A 65 -1.843 -16.634 -2.453 1.00 14.12 H new ATOM 1084 N TYR A 66 -2.379 -13.990 -7.369 1.00 24.51 N ATOM 1085 CA TYR A 66 -3.327 -13.389 -8.291 1.00 74.30 C ATOM 1086 C TYR A 66 -2.623 -12.729 -9.472 1.00 60.10 C ATOM 1087 O TYR A 66 -1.412 -12.904 -9.638 1.00 51.21 O ATOM 1088 CB TYR A 66 -4.335 -12.443 -7.559 1.00 62.31 C ATOM 1089 CG TYR A 66 -3.830 -11.188 -6.901 1.00 15.32 C ATOM 1090 CD1 TYR A 66 -3.438 -10.091 -7.632 1.00 61.12 C ATOM 1091 CD2 TYR A 66 -3.811 -11.096 -5.523 1.00 4.54 C ATOM 1092 CE1 TYR A 66 -3.030 -8.944 -7.010 1.00 62.13 C ATOM 1093 CE2 TYR A 66 -3.421 -9.953 -4.896 1.00 4.42 C ATOM 1094 CZ TYR A 66 -3.030 -8.880 -5.638 1.00 21.44 C ATOM 1095 OH TYR A 66 -2.650 -7.731 -5.008 1.00 43.02 O ATOM 0 H TYR A 66 -1.605 -13.386 -7.092 1.00 24.51 H new ATOM 0 HA TYR A 66 -3.932 -14.192 -8.713 1.00 74.30 H new ATOM 0 HB2 TYR A 66 -5.093 -12.149 -8.285 1.00 62.31 H new ATOM 0 HB3 TYR A 66 -4.839 -13.033 -6.793 1.00 62.31 H new ATOM 0 HD1 TYR A 66 -3.453 -10.136 -8.711 1.00 61.12 H new ATOM 0 HD2 TYR A 66 -4.112 -11.948 -4.931 1.00 4.54 H new ATOM 0 HE1 TYR A 66 -2.710 -8.094 -7.594 1.00 62.13 H new ATOM 0 HE2 TYR A 66 -3.422 -9.897 -3.817 1.00 4.42 H new ATOM 0 HH TYR A 66 -2.446 -7.925 -4.069 1.00 43.02 H new ATOM 1105 N LYS A 67 -3.377 -12.035 -10.327 1.00 52.42 N ATOM 1106 CA LYS A 67 -2.784 -11.354 -11.477 1.00 1.35 C ATOM 1107 C LYS A 67 -1.891 -10.235 -11.035 1.00 4.24 C ATOM 1108 O LYS A 67 -2.318 -9.303 -10.363 1.00 2.42 O ATOM 1109 CB LYS A 67 -3.815 -10.834 -12.463 1.00 22.32 C ATOM 1110 CG LYS A 67 -4.640 -11.893 -13.150 1.00 71.24 C ATOM 1111 CD LYS A 67 -5.553 -11.246 -14.163 1.00 42.34 C ATOM 1112 CE LYS A 67 -6.456 -12.257 -14.844 1.00 4.11 C ATOM 1113 NZ LYS A 67 -7.322 -11.620 -15.864 1.00 55.44 N ATOM 0 H LYS A 67 -4.388 -11.931 -10.246 1.00 52.42 H new ATOM 0 HA LYS A 67 -2.194 -12.107 -11.999 1.00 1.35 H new ATOM 0 HB2 LYS A 67 -4.488 -10.157 -11.937 1.00 22.32 H new ATOM 0 HB3 LYS A 67 -3.302 -10.246 -13.224 1.00 22.32 H new ATOM 0 HG2 LYS A 67 -3.987 -12.614 -13.642 1.00 71.24 H new ATOM 0 HG3 LYS A 67 -5.228 -12.444 -12.416 1.00 71.24 H new ATOM 0 HD2 LYS A 67 -6.163 -10.490 -13.670 1.00 42.34 H new ATOM 0 HD3 LYS A 67 -4.954 -10.732 -14.914 1.00 42.34 H new ATOM 0 HE2 LYS A 67 -5.848 -13.029 -15.314 1.00 4.11 H new ATOM 0 HE3 LYS A 67 -7.077 -12.751 -14.097 1.00 4.11 H new ATOM 0 HZ1 LYS A 67 -7.925 -12.342 -16.308 1.00 55.44 H new ATOM 0 HZ2 LYS A 67 -7.921 -10.900 -15.411 1.00 55.44 H new ATOM 0 HZ3 LYS A 67 -6.729 -11.170 -16.590 1.00 55.44 H new ATOM 1127 N VAL A 68 -0.667 -10.328 -11.449 1.00 70.32 N ATOM 1128 CA VAL A 68 0.400 -9.421 -11.068 1.00 34.53 C ATOM 1129 C VAL A 68 1.374 -9.366 -12.241 1.00 72.13 C ATOM 1130 O VAL A 68 2.094 -10.343 -12.487 1.00 32.31 O ATOM 1131 CB VAL A 68 1.159 -9.923 -9.771 1.00 33.34 C ATOM 1132 CG1 VAL A 68 2.238 -8.954 -9.336 1.00 63.44 C ATOM 1133 CG2 VAL A 68 0.209 -10.151 -8.616 1.00 41.44 C ATOM 0 H VAL A 68 -0.359 -11.062 -12.087 1.00 70.32 H new ATOM 0 HA VAL A 68 -0.014 -8.439 -10.837 1.00 34.53 H new ATOM 0 HB VAL A 68 1.623 -10.871 -10.044 1.00 33.34 H new ATOM 0 HG11 VAL A 68 2.733 -9.337 -8.444 1.00 63.44 H new ATOM 0 HG12 VAL A 68 2.969 -8.841 -10.136 1.00 63.44 H new ATOM 0 HG13 VAL A 68 1.790 -7.986 -9.115 1.00 63.44 H new ATOM 0 HG21 VAL A 68 0.769 -10.495 -7.746 1.00 41.44 H new ATOM 0 HG22 VAL A 68 -0.300 -9.218 -8.374 1.00 41.44 H new ATOM 0 HG23 VAL A 68 -0.527 -10.905 -8.894 1.00 41.44 H new ATOM 1143 N PRO A 69 1.373 -8.254 -13.013 1.00 61.21 N ATOM 1144 CA PRO A 69 2.198 -8.127 -14.218 1.00 31.51 C ATOM 1145 C PRO A 69 3.689 -8.057 -13.909 1.00 54.20 C ATOM 1146 O PRO A 69 4.449 -9.000 -14.174 1.00 25.43 O ATOM 1147 CB PRO A 69 1.728 -6.804 -14.867 1.00 24.01 C ATOM 1148 CG PRO A 69 0.511 -6.379 -14.108 1.00 31.11 C ATOM 1149 CD PRO A 69 0.576 -7.046 -12.768 1.00 72.44 C ATOM 0 HA PRO A 69 2.079 -8.997 -14.864 1.00 31.51 H new ATOM 0 HB2 PRO A 69 2.507 -6.044 -14.811 1.00 24.01 H new ATOM 0 HB3 PRO A 69 1.498 -6.948 -15.923 1.00 24.01 H new ATOM 0 HG2 PRO A 69 0.484 -5.295 -13.998 1.00 31.11 H new ATOM 0 HG3 PRO A 69 -0.396 -6.668 -14.639 1.00 31.11 H new ATOM 0 HD2 PRO A 69 1.045 -6.402 -12.024 1.00 72.44 H new ATOM 0 HD3 PRO A 69 -0.418 -7.292 -12.396 1.00 72.44 H new ATOM 1157 N ASP A 70 4.092 -6.972 -13.320 1.00 32.54 N ATOM 1158 CA ASP A 70 5.478 -6.735 -13.021 1.00 40.15 C ATOM 1159 C ASP A 70 5.618 -6.365 -11.592 1.00 33.41 C ATOM 1160 O ASP A 70 4.648 -5.944 -10.955 1.00 43.11 O ATOM 1161 CB ASP A 70 6.060 -5.622 -13.896 1.00 2.00 C ATOM 1162 CG ASP A 70 6.195 -5.983 -15.353 1.00 42.53 C ATOM 1163 OD1 ASP A 70 5.222 -5.839 -16.109 1.00 52.54 O ATOM 1164 OD2 ASP A 70 7.297 -6.398 -15.771 1.00 53.51 O ATOM 0 H ASP A 70 3.467 -6.220 -13.030 1.00 32.54 H new ATOM 0 HA ASP A 70 6.031 -7.651 -13.229 1.00 40.15 H new ATOM 0 HB2 ASP A 70 5.426 -4.740 -13.810 1.00 2.00 H new ATOM 0 HB3 ASP A 70 7.042 -5.348 -13.509 1.00 2.00 H new ATOM 1169 N PHE A 71 6.793 -6.522 -11.082 1.00 3.32 N ATOM 1170 CA PHE A 71 7.052 -6.231 -9.714 1.00 4.01 C ATOM 1171 C PHE A 71 8.306 -5.380 -9.566 1.00 31.43 C ATOM 1172 O PHE A 71 9.240 -5.501 -10.369 1.00 63.43 O ATOM 1173 CB PHE A 71 7.171 -7.538 -8.910 1.00 12.41 C ATOM 1174 CG PHE A 71 8.245 -8.486 -9.406 1.00 1.10 C ATOM 1175 CD1 PHE A 71 9.547 -8.402 -8.931 1.00 52.30 C ATOM 1176 CD2 PHE A 71 7.949 -9.459 -10.351 1.00 4.13 C ATOM 1177 CE1 PHE A 71 10.523 -9.260 -9.386 1.00 55.15 C ATOM 1178 CE2 PHE A 71 8.925 -10.321 -10.810 1.00 3.30 C ATOM 1179 CZ PHE A 71 10.214 -10.222 -10.327 1.00 42.42 C ATOM 0 H PHE A 71 7.603 -6.857 -11.604 1.00 3.32 H new ATOM 0 HA PHE A 71 6.216 -5.656 -9.316 1.00 4.01 H new ATOM 0 HB2 PHE A 71 7.375 -7.291 -7.868 1.00 12.41 H new ATOM 0 HB3 PHE A 71 6.211 -8.053 -8.934 1.00 12.41 H new ATOM 0 HD1 PHE A 71 9.798 -7.653 -8.194 1.00 52.30 H new ATOM 0 HD2 PHE A 71 6.942 -9.543 -10.732 1.00 4.13 H new ATOM 0 HE1 PHE A 71 11.531 -9.180 -9.007 1.00 55.15 H new ATOM 0 HE2 PHE A 71 8.680 -11.072 -11.546 1.00 3.30 H new ATOM 0 HZ PHE A 71 10.979 -10.895 -10.684 1.00 42.42 H new ATOM 1189 N PRO A 72 8.330 -4.475 -8.582 1.00 11.41 N ATOM 1190 CA PRO A 72 9.528 -3.699 -8.263 1.00 23.43 C ATOM 1191 C PRO A 72 10.650 -4.624 -7.769 1.00 43.32 C ATOM 1192 O PRO A 72 10.384 -5.629 -7.083 1.00 33.33 O ATOM 1193 CB PRO A 72 9.067 -2.774 -7.128 1.00 31.10 C ATOM 1194 CG PRO A 72 7.586 -2.752 -7.232 1.00 22.10 C ATOM 1195 CD PRO A 72 7.192 -4.101 -7.733 1.00 45.41 C ATOM 0 HA PRO A 72 9.924 -3.158 -9.122 1.00 23.43 H new ATOM 0 HB2 PRO A 72 9.389 -3.149 -6.157 1.00 31.10 H new ATOM 0 HB3 PRO A 72 9.486 -1.774 -7.238 1.00 31.10 H new ATOM 0 HG2 PRO A 72 7.129 -2.546 -6.264 1.00 22.10 H new ATOM 0 HG3 PRO A 72 7.254 -1.969 -7.914 1.00 22.10 H new ATOM 0 HD2 PRO A 72 7.045 -4.809 -6.917 1.00 45.41 H new ATOM 0 HD3 PRO A 72 6.260 -4.067 -8.297 1.00 45.41 H new ATOM 1203 N SER A 73 11.867 -4.290 -8.107 1.00 73.01 N ATOM 1204 CA SER A 73 13.022 -5.090 -7.758 1.00 70.43 C ATOM 1205 C SER A 73 13.470 -4.785 -6.311 1.00 3.03 C ATOM 1206 O SER A 73 12.727 -4.175 -5.523 1.00 75.34 O ATOM 1207 CB SER A 73 14.161 -4.806 -8.775 1.00 30.41 C ATOM 1208 OG SER A 73 15.326 -5.604 -8.528 1.00 63.55 O ATOM 0 H SER A 73 12.092 -3.448 -8.637 1.00 73.01 H new ATOM 0 HA SER A 73 12.766 -6.149 -7.804 1.00 70.43 H new ATOM 0 HB2 SER A 73 13.799 -4.999 -9.785 1.00 30.41 H new ATOM 0 HB3 SER A 73 14.430 -3.751 -8.729 1.00 30.41 H new ATOM 0 HG SER A 73 16.014 -5.392 -9.193 1.00 63.55 H new ATOM 1214 N LYS A 74 14.646 -5.260 -5.965 1.00 42.15 N ATOM 1215 CA LYS A 74 15.238 -5.032 -4.668 1.00 40.42 C ATOM 1216 C LYS A 74 16.434 -4.084 -4.773 1.00 72.45 C ATOM 1217 O LYS A 74 16.882 -3.530 -3.767 1.00 33.25 O ATOM 1218 CB LYS A 74 15.660 -6.357 -4.016 1.00 31.42 C ATOM 1219 CG LYS A 74 16.576 -7.213 -4.886 1.00 73.40 C ATOM 1220 CD LYS A 74 17.062 -8.469 -4.164 1.00 51.51 C ATOM 1221 CE LYS A 74 17.993 -8.137 -3.000 1.00 44.32 C ATOM 1222 NZ LYS A 74 19.198 -7.404 -3.448 1.00 32.43 N ATOM 0 H LYS A 74 15.225 -5.824 -6.587 1.00 42.15 H new ATOM 0 HA LYS A 74 14.484 -4.564 -4.035 1.00 40.42 H new ATOM 0 HB2 LYS A 74 16.166 -6.142 -3.075 1.00 31.42 H new ATOM 0 HB3 LYS A 74 14.766 -6.931 -3.773 1.00 31.42 H new ATOM 0 HG2 LYS A 74 16.045 -7.502 -5.793 1.00 73.40 H new ATOM 0 HG3 LYS A 74 17.436 -6.620 -5.196 1.00 73.40 H new ATOM 0 HD2 LYS A 74 16.203 -9.029 -3.793 1.00 51.51 H new ATOM 0 HD3 LYS A 74 17.582 -9.115 -4.871 1.00 51.51 H new ATOM 0 HE2 LYS A 74 17.456 -7.537 -2.265 1.00 44.32 H new ATOM 0 HE3 LYS A 74 18.293 -9.059 -2.501 1.00 44.32 H new ATOM 0 HZ1 LYS A 74 19.920 -7.434 -2.700 1.00 32.43 H new ATOM 0 HZ2 LYS A 74 19.574 -7.848 -4.310 1.00 32.43 H new ATOM 0 HZ3 LYS A 74 18.948 -6.415 -3.649 1.00 32.43 H new ATOM 1236 N ARG A 75 16.952 -3.899 -5.990 1.00 32.24 N ATOM 1237 CA ARG A 75 18.104 -3.032 -6.190 1.00 25.13 C ATOM 1238 C ARG A 75 17.583 -1.615 -6.321 1.00 43.33 C ATOM 1239 O ARG A 75 16.950 -1.258 -7.319 1.00 24.35 O ATOM 1240 CB ARG A 75 18.900 -3.464 -7.457 1.00 5.11 C ATOM 1241 CG ARG A 75 20.340 -2.878 -7.621 1.00 42.11 C ATOM 1242 CD ARG A 75 20.394 -1.353 -7.736 1.00 73.34 C ATOM 1243 NE ARG A 75 21.767 -0.858 -7.954 1.00 73.00 N ATOM 1244 CZ ARG A 75 22.213 0.375 -7.649 1.00 30.33 C ATOM 1245 NH1 ARG A 75 21.434 1.237 -7.002 1.00 63.45 N ATOM 1246 NH2 ARG A 75 23.455 0.730 -7.975 1.00 52.11 N ATOM 0 H ARG A 75 16.593 -4.335 -6.840 1.00 32.24 H new ATOM 0 HA ARG A 75 18.793 -3.100 -5.348 1.00 25.13 H new ATOM 0 HB2 ARG A 75 18.974 -4.551 -7.457 1.00 5.11 H new ATOM 0 HB3 ARG A 75 18.318 -3.185 -8.335 1.00 5.11 H new ATOM 0 HG2 ARG A 75 20.944 -3.187 -6.768 1.00 42.11 H new ATOM 0 HG3 ARG A 75 20.797 -3.313 -8.510 1.00 42.11 H new ATOM 0 HD2 ARG A 75 19.758 -1.030 -8.560 1.00 73.34 H new ATOM 0 HD3 ARG A 75 19.989 -0.907 -6.827 1.00 73.34 H new ATOM 0 HE ARG A 75 22.435 -1.506 -8.372 1.00 73.00 H new ATOM 0 HH11 ARG A 75 20.488 0.966 -6.732 1.00 63.45 H new ATOM 0 HH12 ARG A 75 21.782 2.169 -6.776 1.00 63.45 H new ATOM 0 HH21 ARG A 75 24.065 0.068 -8.454 1.00 52.11 H new ATOM 0 HH22 ARG A 75 23.796 1.664 -7.745 1.00 52.11 H new ATOM 1260 N LEU A 76 17.845 -0.822 -5.329 1.00 2.04 N ATOM 1261 CA LEU A 76 17.323 0.514 -5.281 1.00 14.44 C ATOM 1262 C LEU A 76 18.426 1.523 -5.244 1.00 30.32 C ATOM 1263 O LEU A 76 19.542 1.204 -4.822 1.00 40.52 O ATOM 1264 CB LEU A 76 16.437 0.684 -4.050 1.00 61.42 C ATOM 1265 CG LEU A 76 15.178 -0.164 -4.011 1.00 12.41 C ATOM 1266 CD1 LEU A 76 14.411 0.096 -2.733 1.00 32.33 C ATOM 1267 CD2 LEU A 76 14.310 0.122 -5.227 1.00 63.21 C ATOM 0 H LEU A 76 18.425 -1.079 -4.530 1.00 2.04 H new ATOM 0 HA LEU A 76 16.734 0.678 -6.183 1.00 14.44 H new ATOM 0 HB2 LEU A 76 17.032 0.456 -3.165 1.00 61.42 H new ATOM 0 HB3 LEU A 76 16.147 1.732 -3.978 1.00 61.42 H new ATOM 0 HG LEU A 76 15.463 -1.216 -4.033 1.00 12.41 H new ATOM 0 HD11 LEU A 76 13.511 -0.518 -2.718 1.00 32.33 H new ATOM 0 HD12 LEU A 76 15.036 -0.155 -1.876 1.00 32.33 H new ATOM 0 HD13 LEU A 76 14.133 1.149 -2.683 1.00 32.33 H new ATOM 0 HD21 LEU A 76 13.411 -0.493 -5.185 1.00 63.21 H new ATOM 0 HD22 LEU A 76 14.029 1.175 -5.234 1.00 63.21 H new ATOM 0 HD23 LEU A 76 14.867 -0.111 -6.135 1.00 63.21 H new ATOM 1279 N PRO A 77 18.162 2.747 -5.731 1.00 53.43 N ATOM 1280 CA PRO A 77 19.100 3.848 -5.623 1.00 32.41 C ATOM 1281 C PRO A 77 19.401 4.164 -4.158 1.00 23.54 C ATOM 1282 O PRO A 77 18.628 3.799 -3.247 1.00 11.51 O ATOM 1283 CB PRO A 77 18.361 5.027 -6.278 1.00 74.21 C ATOM 1284 CG PRO A 77 17.366 4.392 -7.171 1.00 24.40 C ATOM 1285 CD PRO A 77 16.942 3.141 -6.472 1.00 11.21 C ATOM 0 HA PRO A 77 20.058 3.627 -6.094 1.00 32.41 H new ATOM 0 HB2 PRO A 77 17.878 5.657 -5.531 1.00 74.21 H new ATOM 0 HB3 PRO A 77 19.047 5.664 -6.837 1.00 74.21 H new ATOM 0 HG2 PRO A 77 16.516 5.052 -7.344 1.00 24.40 H new ATOM 0 HG3 PRO A 77 17.800 4.169 -8.146 1.00 24.40 H new ATOM 0 HD2 PRO A 77 16.101 3.318 -5.801 1.00 11.21 H new ATOM 0 HD3 PRO A 77 16.631 2.370 -7.177 1.00 11.21 H new ATOM 1293 N ASN A 78 20.502 4.839 -3.940 1.00 42.10 N ATOM 1294 CA ASN A 78 20.958 5.202 -2.603 1.00 40.52 C ATOM 1295 C ASN A 78 19.963 6.155 -1.931 1.00 62.35 C ATOM 1296 O ASN A 78 19.853 6.206 -0.710 1.00 33.53 O ATOM 1297 CB ASN A 78 22.344 5.852 -2.704 1.00 3.42 C ATOM 1298 CG ASN A 78 22.915 6.272 -1.370 1.00 64.23 C ATOM 1299 OD1 ASN A 78 22.696 7.384 -0.928 1.00 65.12 O ATOM 1300 ND2 ASN A 78 23.652 5.399 -0.738 1.00 12.43 N ATOM 0 H ASN A 78 21.119 5.159 -4.686 1.00 42.10 H new ATOM 0 HA ASN A 78 21.024 4.304 -1.989 1.00 40.52 H new ATOM 0 HB2 ASN A 78 23.031 5.151 -3.179 1.00 3.42 H new ATOM 0 HB3 ASN A 78 22.280 6.725 -3.353 1.00 3.42 H new ATOM 0 HD21 ASN A 78 24.069 5.639 0.161 1.00 12.43 H new ATOM 0 HD22 ASN A 78 23.811 4.477 -1.144 1.00 12.43 H new ATOM 1307 N TRP A 79 19.240 6.896 -2.750 1.00 62.03 N ATOM 1308 CA TRP A 79 18.229 7.845 -2.302 1.00 52.03 C ATOM 1309 C TRP A 79 18.689 9.106 -1.608 1.00 14.05 C ATOM 1310 O TRP A 79 17.935 10.068 -1.518 1.00 42.23 O ATOM 1311 CB TRP A 79 16.910 7.246 -1.783 1.00 15.54 C ATOM 1312 CG TRP A 79 15.918 7.211 -2.890 1.00 31.21 C ATOM 1313 CD1 TRP A 79 15.454 8.303 -3.525 1.00 71.12 C ATOM 1314 CD2 TRP A 79 15.250 6.088 -3.504 1.00 33.31 C ATOM 1315 NE1 TRP A 79 14.596 7.952 -4.496 1.00 32.14 N ATOM 1316 CE2 TRP A 79 14.445 6.615 -4.508 1.00 42.42 C ATOM 1317 CE3 TRP A 79 15.257 4.709 -3.328 1.00 33.53 C ATOM 1318 CZ2 TRP A 79 13.671 5.836 -5.316 1.00 44.42 C ATOM 1319 CZ3 TRP A 79 14.475 3.930 -4.140 1.00 72.05 C ATOM 1320 CH2 TRP A 79 13.692 4.494 -5.126 1.00 1.13 C ATOM 0 H TRP A 79 19.338 6.857 -3.765 1.00 62.03 H new ATOM 0 HA TRP A 79 17.949 8.254 -3.273 1.00 52.03 H new ATOM 0 HB2 TRP A 79 17.080 6.240 -1.400 1.00 15.54 H new ATOM 0 HB3 TRP A 79 16.527 7.842 -0.955 1.00 15.54 H new ATOM 0 HD1 TRP A 79 15.733 9.319 -3.287 1.00 71.12 H new ATOM 0 HE1 TRP A 79 14.129 8.601 -5.129 1.00 32.14 H new ATOM 0 HE3 TRP A 79 15.870 4.258 -2.562 1.00 33.53 H new ATOM 0 HZ2 TRP A 79 13.057 6.277 -6.087 1.00 44.42 H new ATOM 0 HZ3 TRP A 79 14.472 2.858 -4.006 1.00 72.05 H new ATOM 0 HH2 TRP A 79 13.087 3.858 -5.755 1.00 1.13 H new ATOM 1331 N ARG A 80 19.902 9.132 -1.139 1.00 71.51 N ATOM 1332 CA ARG A 80 20.468 10.376 -0.642 1.00 4.31 C ATOM 1333 C ARG A 80 20.860 11.195 -1.861 1.00 71.15 C ATOM 1334 O ARG A 80 20.760 12.422 -1.888 1.00 22.54 O ATOM 1335 CB ARG A 80 21.706 10.097 0.194 1.00 34.43 C ATOM 1336 CG ARG A 80 21.464 9.199 1.380 1.00 55.21 C ATOM 1337 CD ARG A 80 22.765 8.841 2.062 1.00 31.14 C ATOM 1338 NE ARG A 80 22.541 7.917 3.167 1.00 21.23 N ATOM 1339 CZ ARG A 80 23.426 7.041 3.627 1.00 3.13 C ATOM 1340 NH1 ARG A 80 24.620 6.929 3.058 1.00 4.54 N ATOM 1341 NH2 ARG A 80 23.108 6.265 4.657 1.00 51.41 N ATOM 0 H ARG A 80 20.521 8.323 -1.085 1.00 71.51 H new ATOM 0 HA ARG A 80 19.748 10.903 -0.016 1.00 4.31 H new ATOM 0 HB2 ARG A 80 22.465 9.642 -0.442 1.00 34.43 H new ATOM 0 HB3 ARG A 80 22.113 11.045 0.547 1.00 34.43 H new ATOM 0 HG2 ARG A 80 20.803 9.697 2.089 1.00 55.21 H new ATOM 0 HG3 ARG A 80 20.957 8.290 1.055 1.00 55.21 H new ATOM 0 HD2 ARG A 80 23.446 8.391 1.340 1.00 31.14 H new ATOM 0 HD3 ARG A 80 23.246 9.746 2.433 1.00 31.14 H new ATOM 0 HE ARG A 80 21.630 7.946 3.624 1.00 21.23 H new ATOM 0 HH11 ARG A 80 24.863 7.518 2.262 1.00 4.54 H new ATOM 0 HH12 ARG A 80 25.295 6.254 3.417 1.00 4.54 H new ATOM 0 HH21 ARG A 80 22.188 6.344 5.090 1.00 51.41 H new ATOM 0 HH22 ARG A 80 23.784 5.590 5.015 1.00 51.41 H new ATOM 1355 N THR A 81 21.246 10.469 -2.886 1.00 51.13 N ATOM 1356 CA THR A 81 21.715 11.002 -4.136 1.00 34.13 C ATOM 1357 C THR A 81 20.596 11.053 -5.193 1.00 55.45 C ATOM 1358 O THR A 81 20.856 11.324 -6.366 1.00 62.20 O ATOM 1359 CB THR A 81 22.840 10.084 -4.652 1.00 64.35 C ATOM 1360 OG1 THR A 81 22.345 8.726 -4.706 1.00 0.31 O ATOM 1361 CG2 THR A 81 24.043 10.134 -3.729 1.00 22.10 C ATOM 0 H THR A 81 21.240 9.449 -2.866 1.00 51.13 H new ATOM 0 HA THR A 81 22.067 12.020 -3.971 1.00 34.13 H new ATOM 0 HB THR A 81 23.145 10.423 -5.642 1.00 64.35 H new ATOM 0 HG1 THR A 81 23.052 8.133 -5.035 1.00 0.31 H new ATOM 0 HG21 THR A 81 24.824 9.478 -4.114 1.00 22.10 H new ATOM 0 HG22 THR A 81 24.420 11.156 -3.677 1.00 22.10 H new ATOM 0 HG23 THR A 81 23.751 9.804 -2.732 1.00 22.10 H new ATOM 1369 N ARG A 82 19.366 10.795 -4.787 1.00 72.31 N ATOM 1370 CA ARG A 82 18.263 10.695 -5.738 1.00 45.12 C ATOM 1371 C ARG A 82 16.986 11.292 -5.133 1.00 33.21 C ATOM 1372 O ARG A 82 16.843 11.323 -3.902 1.00 51.11 O ATOM 1373 CB ARG A 82 18.062 9.199 -6.073 1.00 34.31 C ATOM 1374 CG ARG A 82 17.006 8.875 -7.115 1.00 11.43 C ATOM 1375 CD ARG A 82 17.339 9.482 -8.461 1.00 22.31 C ATOM 1376 NE ARG A 82 16.387 9.066 -9.487 1.00 31.03 N ATOM 1377 CZ ARG A 82 16.244 9.654 -10.683 1.00 51.44 C ATOM 1378 NH1 ARG A 82 16.936 10.757 -10.975 1.00 33.11 N ATOM 1379 NH2 ARG A 82 15.391 9.151 -11.576 1.00 3.13 N ATOM 0 H ARG A 82 19.102 10.651 -3.812 1.00 72.31 H new ATOM 0 HA ARG A 82 18.490 11.253 -6.646 1.00 45.12 H new ATOM 0 HB2 ARG A 82 19.015 8.795 -6.415 1.00 34.31 H new ATOM 0 HB3 ARG A 82 17.806 8.675 -5.153 1.00 34.31 H new ATOM 0 HG2 ARG A 82 16.915 7.794 -7.216 1.00 11.43 H new ATOM 0 HG3 ARG A 82 16.038 9.246 -6.779 1.00 11.43 H new ATOM 0 HD2 ARG A 82 17.337 10.569 -8.381 1.00 22.31 H new ATOM 0 HD3 ARG A 82 18.346 9.186 -8.756 1.00 22.31 H new ATOM 0 HE ARG A 82 15.786 8.269 -9.278 1.00 31.03 H new ATOM 0 HH11 ARG A 82 17.576 11.155 -10.287 1.00 33.11 H new ATOM 0 HH12 ARG A 82 16.825 11.202 -11.886 1.00 33.11 H new ATOM 0 HH21 ARG A 82 14.847 8.319 -11.349 1.00 3.13 H new ATOM 0 HH22 ARG A 82 15.282 9.599 -12.486 1.00 3.13 H new ATOM 1393 N GLY A 83 16.086 11.797 -5.980 1.00 72.34 N ATOM 1394 CA GLY A 83 14.824 12.304 -5.485 1.00 12.25 C ATOM 1395 C GLY A 83 13.845 11.202 -5.313 1.00 75.12 C ATOM 1396 O GLY A 83 13.994 10.119 -5.883 1.00 43.50 O ATOM 0 H GLY A 83 16.212 11.861 -6.990 1.00 72.34 H new ATOM 0 HA2 GLY A 83 14.979 12.811 -4.533 1.00 12.25 H new ATOM 0 HA3 GLY A 83 14.427 13.044 -6.179 1.00 12.25 H new ATOM 1400 N LEU A 84 12.836 11.482 -4.590 1.00 43.23 N ATOM 1401 CA LEU A 84 11.919 10.500 -4.141 1.00 2.15 C ATOM 1402 C LEU A 84 10.791 10.174 -5.120 1.00 30.23 C ATOM 1403 O LEU A 84 10.107 9.142 -4.956 1.00 11.21 O ATOM 1404 CB LEU A 84 11.394 10.919 -2.816 1.00 22.45 C ATOM 1405 CG LEU A 84 10.448 9.983 -2.151 1.00 30.22 C ATOM 1406 CD1 LEU A 84 11.103 8.614 -1.972 1.00 73.32 C ATOM 1407 CD2 LEU A 84 10.074 10.585 -0.845 1.00 63.42 C ATOM 0 H LEU A 84 12.612 12.428 -4.281 1.00 43.23 H new ATOM 0 HA LEU A 84 12.466 9.561 -4.060 1.00 2.15 H new ATOM 0 HB2 LEU A 84 12.241 11.080 -2.149 1.00 22.45 H new ATOM 0 HB3 LEU A 84 10.895 11.881 -2.935 1.00 22.45 H new ATOM 0 HG LEU A 84 9.554 9.831 -2.755 1.00 30.22 H new ATOM 0 HD11 LEU A 84 10.402 7.936 -1.484 1.00 73.32 H new ATOM 0 HD12 LEU A 84 11.378 8.212 -2.947 1.00 73.32 H new ATOM 0 HD13 LEU A 84 11.997 8.716 -1.357 1.00 73.32 H new ATOM 0 HD21 LEU A 84 9.379 9.925 -0.326 1.00 63.42 H new ATOM 0 HD22 LEU A 84 10.969 10.720 -0.237 1.00 63.42 H new ATOM 0 HD23 LEU A 84 9.600 11.552 -1.013 1.00 63.42 H new ATOM 1419 N GLU A 85 10.590 11.023 -6.125 1.00 63.31 N ATOM 1420 CA GLU A 85 9.494 10.828 -7.085 1.00 11.32 C ATOM 1421 C GLU A 85 9.542 9.419 -7.658 1.00 44.54 C ATOM 1422 O GLU A 85 8.527 8.738 -7.738 1.00 74.11 O ATOM 1423 CB GLU A 85 9.590 11.828 -8.232 1.00 61.41 C ATOM 1424 CG GLU A 85 9.624 13.277 -7.809 1.00 51.14 C ATOM 1425 CD GLU A 85 9.657 14.199 -8.996 1.00 73.54 C ATOM 1426 OE1 GLU A 85 10.714 14.313 -9.651 1.00 13.40 O ATOM 1427 OE2 GLU A 85 8.625 14.808 -9.313 1.00 34.41 O ATOM 0 H GLU A 85 11.164 11.848 -6.300 1.00 63.31 H new ATOM 0 HA GLU A 85 8.555 10.982 -6.553 1.00 11.32 H new ATOM 0 HB2 GLU A 85 10.489 11.612 -8.809 1.00 61.41 H new ATOM 0 HB3 GLU A 85 8.740 11.678 -8.898 1.00 61.41 H new ATOM 0 HG2 GLU A 85 8.748 13.499 -7.199 1.00 51.14 H new ATOM 0 HG3 GLU A 85 10.500 13.454 -7.185 1.00 51.14 H new ATOM 1434 N GLN A 86 10.739 8.993 -7.990 1.00 61.33 N ATOM 1435 CA GLN A 86 11.011 7.679 -8.535 1.00 44.15 C ATOM 1436 C GLN A 86 10.479 6.542 -7.637 1.00 24.34 C ATOM 1437 O GLN A 86 9.913 5.560 -8.142 1.00 71.54 O ATOM 1438 CB GLN A 86 12.514 7.528 -8.714 1.00 71.41 C ATOM 1439 CG GLN A 86 12.957 6.184 -9.248 1.00 44.40 C ATOM 1440 CD GLN A 86 14.455 6.091 -9.351 1.00 42.34 C ATOM 1441 OE1 GLN A 86 15.178 6.717 -8.590 1.00 62.52 O ATOM 1442 NE2 GLN A 86 14.930 5.325 -10.279 1.00 32.31 N ATOM 0 H GLN A 86 11.576 9.567 -7.886 1.00 61.33 H new ATOM 0 HA GLN A 86 10.493 7.598 -9.491 1.00 44.15 H new ATOM 0 HB2 GLN A 86 12.865 8.306 -9.392 1.00 71.41 H new ATOM 0 HB3 GLN A 86 12.999 7.699 -7.753 1.00 71.41 H new ATOM 0 HG2 GLN A 86 12.588 5.393 -8.595 1.00 44.40 H new ATOM 0 HG3 GLN A 86 12.514 6.019 -10.230 1.00 44.40 H new ATOM 0 HE21 GLN A 86 14.296 4.818 -10.896 1.00 32.31 H new ATOM 0 HE22 GLN A 86 15.939 5.228 -10.394 1.00 32.31 H new ATOM 1451 N ARG A 87 10.640 6.678 -6.315 1.00 4.24 N ATOM 1452 CA ARG A 87 10.268 5.602 -5.418 1.00 63.41 C ATOM 1453 C ARG A 87 8.765 5.494 -5.323 1.00 3.40 C ATOM 1454 O ARG A 87 8.185 4.477 -5.642 1.00 12.54 O ATOM 1455 CB ARG A 87 10.819 5.848 -4.016 1.00 35.52 C ATOM 1456 CG ARG A 87 10.771 4.606 -3.150 1.00 23.43 C ATOM 1457 CD ARG A 87 11.579 4.774 -1.876 1.00 30.45 C ATOM 1458 NE ARG A 87 11.727 3.485 -1.176 1.00 2.43 N ATOM 1459 CZ ARG A 87 12.803 3.120 -0.444 1.00 60.02 C ATOM 1460 NH1 ARG A 87 13.746 4.011 -0.133 1.00 72.25 N ATOM 1461 NH2 ARG A 87 12.909 1.868 0.001 1.00 43.23 N ATOM 0 H ARG A 87 11.018 7.509 -5.859 1.00 4.24 H new ATOM 0 HA ARG A 87 10.687 4.679 -5.820 1.00 63.41 H new ATOM 0 HB2 ARG A 87 11.849 6.197 -4.090 1.00 35.52 H new ATOM 0 HB3 ARG A 87 10.247 6.643 -3.538 1.00 35.52 H new ATOM 0 HG2 ARG A 87 9.735 4.380 -2.896 1.00 23.43 H new ATOM 0 HG3 ARG A 87 11.154 3.755 -3.714 1.00 23.43 H new ATOM 0 HD2 ARG A 87 12.563 5.178 -2.115 1.00 30.45 H new ATOM 0 HD3 ARG A 87 11.088 5.494 -1.221 1.00 30.45 H new ATOM 0 HE ARG A 87 10.959 2.818 -1.250 1.00 2.43 H new ATOM 0 HH11 ARG A 87 13.659 4.977 -0.448 1.00 72.25 H new ATOM 0 HH12 ARG A 87 14.554 3.726 0.420 1.00 72.25 H new ATOM 0 HH21 ARG A 87 12.179 1.188 -0.211 1.00 43.23 H new ATOM 0 HH22 ARG A 87 13.720 1.590 0.554 1.00 43.23 H new ATOM 1475 N ARG A 88 8.142 6.593 -4.944 1.00 71.02 N ATOM 1476 CA ARG A 88 6.705 6.639 -4.747 1.00 4.33 C ATOM 1477 C ARG A 88 5.900 6.377 -6.007 1.00 45.33 C ATOM 1478 O ARG A 88 4.867 5.707 -5.959 1.00 3.31 O ATOM 1479 CB ARG A 88 6.252 7.887 -3.946 1.00 64.40 C ATOM 1480 CG ARG A 88 6.625 9.281 -4.492 1.00 72.41 C ATOM 1481 CD ARG A 88 5.848 9.673 -5.740 1.00 42.40 C ATOM 1482 NE ARG A 88 6.191 11.023 -6.189 1.00 74.02 N ATOM 1483 CZ ARG A 88 5.719 11.609 -7.299 1.00 65.32 C ATOM 1484 NH1 ARG A 88 4.888 10.964 -8.100 1.00 11.13 N ATOM 1485 NH2 ARG A 88 6.067 12.845 -7.589 1.00 23.53 N ATOM 0 H ARG A 88 8.616 7.478 -4.764 1.00 71.02 H new ATOM 0 HA ARG A 88 6.467 5.787 -4.110 1.00 4.33 H new ATOM 0 HB2 ARG A 88 5.167 7.846 -3.852 1.00 64.40 H new ATOM 0 HB3 ARG A 88 6.662 7.803 -2.940 1.00 64.40 H new ATOM 0 HG2 ARG A 88 6.449 10.025 -3.715 1.00 72.41 H new ATOM 0 HG3 ARG A 88 7.691 9.301 -4.717 1.00 72.41 H new ATOM 0 HD2 ARG A 88 6.057 8.960 -6.538 1.00 42.40 H new ATOM 0 HD3 ARG A 88 4.779 9.618 -5.535 1.00 42.40 H new ATOM 0 HE ARG A 88 6.839 11.560 -5.613 1.00 74.02 H new ATOM 0 HH11 ARG A 88 4.600 10.011 -7.876 1.00 11.13 H new ATOM 0 HH12 ARG A 88 4.535 11.419 -8.942 1.00 11.13 H new ATOM 0 HH21 ARG A 88 6.695 13.357 -6.970 1.00 23.53 H new ATOM 0 HH22 ARG A 88 5.708 13.291 -8.433 1.00 23.53 H new ATOM 1499 N GLN A 89 6.374 6.892 -7.120 1.00 44.31 N ATOM 1500 CA GLN A 89 5.690 6.734 -8.386 1.00 2.10 C ATOM 1501 C GLN A 89 5.832 5.300 -8.884 1.00 71.04 C ATOM 1502 O GLN A 89 4.904 4.746 -9.467 1.00 1.10 O ATOM 1503 CB GLN A 89 6.243 7.738 -9.399 1.00 64.54 C ATOM 1504 CG GLN A 89 5.577 7.738 -10.756 1.00 13.45 C ATOM 1505 CD GLN A 89 6.166 8.798 -11.667 1.00 11.12 C ATOM 1506 OE1 GLN A 89 7.353 9.150 -11.559 1.00 43.02 O ATOM 1507 NE2 GLN A 89 5.366 9.315 -12.563 1.00 20.03 N ATOM 0 H GLN A 89 7.239 7.429 -7.174 1.00 44.31 H new ATOM 0 HA GLN A 89 4.627 6.935 -8.255 1.00 2.10 H new ATOM 0 HB2 GLN A 89 6.159 8.738 -8.974 1.00 64.54 H new ATOM 0 HB3 GLN A 89 7.306 7.539 -9.537 1.00 64.54 H new ATOM 0 HG2 GLN A 89 5.690 6.757 -11.218 1.00 13.45 H new ATOM 0 HG3 GLN A 89 4.508 7.913 -10.637 1.00 13.45 H new ATOM 0 HE21 GLN A 89 4.397 9.002 -12.623 1.00 20.03 H new ATOM 0 HE22 GLN A 89 5.711 10.031 -13.202 1.00 20.03 H new ATOM 1516 N GLY A 90 6.986 4.695 -8.607 1.00 44.31 N ATOM 1517 CA GLY A 90 7.230 3.330 -9.022 1.00 42.53 C ATOM 1518 C GLY A 90 6.289 2.353 -8.353 1.00 63.20 C ATOM 1519 O GLY A 90 5.626 1.562 -9.027 1.00 31.42 O ATOM 0 H GLY A 90 7.756 5.131 -8.100 1.00 44.31 H new ATOM 0 HA2 GLY A 90 7.119 3.256 -10.104 1.00 42.53 H new ATOM 0 HA3 GLY A 90 8.259 3.059 -8.787 1.00 42.53 H new ATOM 1523 N LEU A 91 6.196 2.423 -7.030 1.00 34.21 N ATOM 1524 CA LEU A 91 5.301 1.527 -6.304 1.00 4.51 C ATOM 1525 C LEU A 91 3.863 1.790 -6.665 1.00 61.32 C ATOM 1526 O LEU A 91 3.108 0.853 -6.903 1.00 24.11 O ATOM 1527 CB LEU A 91 5.484 1.571 -4.762 1.00 22.25 C ATOM 1528 CG LEU A 91 6.772 0.959 -4.161 1.00 35.51 C ATOM 1529 CD1 LEU A 91 6.928 -0.498 -4.545 1.00 23.42 C ATOM 1530 CD2 LEU A 91 7.998 1.740 -4.534 1.00 72.21 C ATOM 0 H LEU A 91 6.718 3.077 -6.447 1.00 34.21 H new ATOM 0 HA LEU A 91 5.577 0.521 -6.619 1.00 4.51 H new ATOM 0 HB2 LEU A 91 5.434 2.614 -4.450 1.00 22.25 H new ATOM 0 HB3 LEU A 91 4.632 1.063 -4.311 1.00 22.25 H new ATOM 0 HG LEU A 91 6.665 1.015 -3.078 1.00 35.51 H new ATOM 0 HD11 LEU A 91 7.843 -0.894 -4.105 1.00 23.42 H new ATOM 0 HD12 LEU A 91 6.073 -1.065 -4.176 1.00 23.42 H new ATOM 0 HD13 LEU A 91 6.980 -0.585 -5.630 1.00 23.42 H new ATOM 0 HD21 LEU A 91 8.877 1.272 -4.089 1.00 72.21 H new ATOM 0 HD22 LEU A 91 8.104 1.754 -5.619 1.00 72.21 H new ATOM 0 HD23 LEU A 91 7.905 2.761 -4.165 1.00 72.21 H new ATOM 1542 N GLU A 92 3.501 3.067 -6.754 1.00 63.31 N ATOM 1543 CA GLU A 92 2.138 3.458 -7.075 1.00 23.42 C ATOM 1544 C GLU A 92 1.711 2.864 -8.407 1.00 1.03 C ATOM 1545 O GLU A 92 0.634 2.292 -8.514 1.00 60.14 O ATOM 1546 CB GLU A 92 2.011 4.974 -7.130 1.00 44.32 C ATOM 1547 CG GLU A 92 0.593 5.460 -7.340 1.00 72.03 C ATOM 1548 CD GLU A 92 0.512 6.950 -7.449 1.00 52.21 C ATOM 1549 OE1 GLU A 92 0.598 7.640 -6.416 1.00 45.32 O ATOM 1550 OE2 GLU A 92 0.343 7.463 -8.569 1.00 52.23 O ATOM 0 H GLU A 92 4.139 3.850 -6.607 1.00 63.31 H new ATOM 0 HA GLU A 92 1.487 3.076 -6.289 1.00 23.42 H new ATOM 0 HB2 GLU A 92 2.396 5.396 -6.202 1.00 44.32 H new ATOM 0 HB3 GLU A 92 2.639 5.353 -7.937 1.00 44.32 H new ATOM 0 HG2 GLU A 92 0.188 5.009 -8.246 1.00 72.03 H new ATOM 0 HG3 GLU A 92 -0.030 5.124 -6.511 1.00 72.03 H new ATOM 1557 N ALA A 93 2.585 2.971 -9.403 1.00 21.44 N ATOM 1558 CA ALA A 93 2.299 2.490 -10.744 1.00 32.22 C ATOM 1559 C ALA A 93 1.979 1.004 -10.749 1.00 64.22 C ATOM 1560 O ALA A 93 0.971 0.575 -11.332 1.00 32.13 O ATOM 1561 CB ALA A 93 3.462 2.782 -11.677 1.00 64.44 C ATOM 0 H ALA A 93 3.508 3.393 -9.301 1.00 21.44 H new ATOM 0 HA ALA A 93 1.418 3.023 -11.102 1.00 32.22 H new ATOM 0 HB1 ALA A 93 3.228 2.414 -12.676 1.00 64.44 H new ATOM 0 HB2 ALA A 93 3.635 3.857 -11.718 1.00 64.44 H new ATOM 0 HB3 ALA A 93 4.359 2.284 -11.308 1.00 64.44 H new ATOM 1567 N TYR A 94 2.803 0.223 -10.082 1.00 61.23 N ATOM 1568 CA TYR A 94 2.606 -1.212 -10.065 1.00 44.41 C ATOM 1569 C TYR A 94 1.462 -1.648 -9.160 1.00 21.32 C ATOM 1570 O TYR A 94 0.720 -2.565 -9.517 1.00 73.41 O ATOM 1571 CB TYR A 94 3.912 -1.980 -9.805 1.00 33.11 C ATOM 1572 CG TYR A 94 4.914 -1.776 -10.925 1.00 53.15 C ATOM 1573 CD1 TYR A 94 4.861 -2.547 -12.075 1.00 15.54 C ATOM 1574 CD2 TYR A 94 5.879 -0.787 -10.851 1.00 54.53 C ATOM 1575 CE1 TYR A 94 5.750 -2.337 -13.112 1.00 12.41 C ATOM 1576 CE2 TYR A 94 6.763 -0.568 -11.885 1.00 1.11 C ATOM 1577 CZ TYR A 94 6.690 -1.347 -13.015 1.00 42.34 C ATOM 1578 OH TYR A 94 7.570 -1.133 -14.059 1.00 64.21 O ATOM 0 H TYR A 94 3.608 0.553 -9.549 1.00 61.23 H new ATOM 0 HA TYR A 94 2.292 -1.486 -11.072 1.00 44.41 H new ATOM 0 HB2 TYR A 94 4.347 -1.649 -8.862 1.00 33.11 H new ATOM 0 HB3 TYR A 94 3.695 -3.043 -9.700 1.00 33.11 H new ATOM 0 HD1 TYR A 94 4.115 -3.323 -12.162 1.00 15.54 H new ATOM 0 HD2 TYR A 94 5.941 -0.174 -9.964 1.00 54.53 H new ATOM 0 HE1 TYR A 94 5.703 -2.953 -13.998 1.00 12.41 H new ATOM 0 HE2 TYR A 94 7.508 0.210 -11.808 1.00 1.11 H new ATOM 0 HH TYR A 94 8.172 -0.394 -13.833 1.00 64.21 H new ATOM 1588 N ILE A 95 1.280 -0.979 -8.009 1.00 42.43 N ATOM 1589 CA ILE A 95 0.159 -1.321 -7.125 1.00 4.21 C ATOM 1590 C ILE A 95 -1.161 -0.966 -7.816 1.00 50.42 C ATOM 1591 O ILE A 95 -2.116 -1.740 -7.785 1.00 5.21 O ATOM 1592 CB ILE A 95 0.223 -0.635 -5.715 1.00 42.22 C ATOM 1593 CG1 ILE A 95 1.560 -0.962 -5.031 1.00 75.33 C ATOM 1594 CG2 ILE A 95 -0.946 -1.130 -4.838 1.00 51.41 C ATOM 1595 CD1 ILE A 95 1.735 -0.382 -3.630 1.00 25.34 C ATOM 0 H ILE A 95 1.876 -0.221 -7.678 1.00 42.43 H new ATOM 0 HA ILE A 95 0.227 -2.393 -6.941 1.00 4.21 H new ATOM 0 HB ILE A 95 0.144 0.445 -5.843 1.00 42.22 H new ATOM 0 HG12 ILE A 95 1.664 -2.045 -4.973 1.00 75.33 H new ATOM 0 HG13 ILE A 95 2.371 -0.597 -5.661 1.00 75.33 H new ATOM 0 HG21 ILE A 95 -0.896 -0.650 -3.861 1.00 51.41 H new ATOM 0 HG22 ILE A 95 -1.892 -0.879 -5.317 1.00 51.41 H new ATOM 0 HG23 ILE A 95 -0.877 -2.211 -4.716 1.00 51.41 H new ATOM 0 HD11 ILE A 95 2.710 -0.670 -3.236 1.00 25.34 H new ATOM 0 HD12 ILE A 95 1.669 0.705 -3.675 1.00 25.34 H new ATOM 0 HD13 ILE A 95 0.952 -0.766 -2.977 1.00 25.34 H new ATOM 1607 N GLN A 96 -1.184 0.187 -8.478 1.00 62.31 N ATOM 1608 CA GLN A 96 -2.357 0.624 -9.224 1.00 53.42 C ATOM 1609 C GLN A 96 -2.651 -0.354 -10.353 1.00 63.45 C ATOM 1610 O GLN A 96 -3.807 -0.626 -10.649 1.00 15.23 O ATOM 1611 CB GLN A 96 -2.163 2.051 -9.771 1.00 4.13 C ATOM 1612 CG GLN A 96 -3.330 2.585 -10.604 1.00 10.01 C ATOM 1613 CD GLN A 96 -4.644 2.621 -9.848 1.00 24.32 C ATOM 1614 OE1 GLN A 96 -4.675 2.789 -8.633 1.00 33.32 O ATOM 1615 NE2 GLN A 96 -5.732 2.470 -10.558 1.00 61.14 N ATOM 0 H GLN A 96 -0.399 0.837 -8.512 1.00 62.31 H new ATOM 0 HA GLN A 96 -3.211 0.643 -8.547 1.00 53.42 H new ATOM 0 HB2 GLN A 96 -1.995 2.726 -8.932 1.00 4.13 H new ATOM 0 HB3 GLN A 96 -1.260 2.071 -10.382 1.00 4.13 H new ATOM 0 HG2 GLN A 96 -3.090 3.591 -10.949 1.00 10.01 H new ATOM 0 HG3 GLN A 96 -3.447 1.963 -11.492 1.00 10.01 H new ATOM 0 HE21 GLN A 96 -5.668 2.332 -11.567 1.00 61.14 H new ATOM 0 HE22 GLN A 96 -6.645 2.490 -10.103 1.00 61.14 H new ATOM 1624 N GLY A 97 -1.593 -0.896 -10.964 1.00 34.02 N ATOM 1625 CA GLY A 97 -1.757 -1.872 -12.011 1.00 14.32 C ATOM 1626 C GLY A 97 -2.519 -3.076 -11.517 1.00 31.22 C ATOM 1627 O GLY A 97 -3.591 -3.393 -12.029 1.00 21.10 O ATOM 0 H GLY A 97 -0.624 -0.668 -10.743 1.00 34.02 H new ATOM 0 HA2 GLY A 97 -2.286 -1.423 -12.851 1.00 14.32 H new ATOM 0 HA3 GLY A 97 -0.779 -2.183 -12.379 1.00 14.32 H new ATOM 1631 N ILE A 98 -1.996 -3.703 -10.485 1.00 4.25 N ATOM 1632 CA ILE A 98 -2.623 -4.876 -9.897 1.00 75.20 C ATOM 1633 C ILE A 98 -3.988 -4.601 -9.284 1.00 22.11 C ATOM 1634 O ILE A 98 -4.912 -5.425 -9.396 1.00 52.21 O ATOM 1635 CB ILE A 98 -1.701 -5.627 -8.909 1.00 31.13 C ATOM 1636 CG1 ILE A 98 -0.956 -4.668 -7.969 1.00 31.43 C ATOM 1637 CG2 ILE A 98 -0.757 -6.500 -9.649 1.00 71.02 C ATOM 1638 CD1 ILE A 98 -0.051 -5.348 -6.955 1.00 62.43 C ATOM 0 H ILE A 98 -1.129 -3.419 -10.029 1.00 4.25 H new ATOM 0 HA ILE A 98 -2.796 -5.541 -10.743 1.00 75.20 H new ATOM 0 HB ILE A 98 -2.331 -6.253 -8.278 1.00 31.13 H new ATOM 0 HG12 ILE A 98 -0.356 -3.985 -8.570 1.00 31.43 H new ATOM 0 HG13 ILE A 98 -1.688 -4.063 -7.434 1.00 31.43 H new ATOM 0 HG21 ILE A 98 -0.114 -7.023 -8.941 1.00 71.02 H new ATOM 0 HG22 ILE A 98 -1.318 -7.228 -10.236 1.00 71.02 H new ATOM 0 HG23 ILE A 98 -0.145 -5.892 -10.315 1.00 71.02 H new ATOM 0 HD11 ILE A 98 0.433 -4.593 -6.335 1.00 62.43 H new ATOM 0 HD12 ILE A 98 -0.644 -6.010 -6.324 1.00 62.43 H new ATOM 0 HD13 ILE A 98 0.708 -5.930 -7.478 1.00 62.43 H new ATOM 1650 N LEU A 99 -4.134 -3.457 -8.662 1.00 4.21 N ATOM 1651 CA LEU A 99 -5.386 -3.097 -8.040 1.00 61.13 C ATOM 1652 C LEU A 99 -6.487 -2.888 -9.089 1.00 42.33 C ATOM 1653 O LEU A 99 -7.641 -3.332 -8.907 1.00 3.23 O ATOM 1654 CB LEU A 99 -5.178 -1.901 -7.048 1.00 5.13 C ATOM 1655 CG LEU A 99 -6.389 -1.329 -6.302 1.00 65.20 C ATOM 1656 CD1 LEU A 99 -7.268 -0.481 -7.207 1.00 51.30 C ATOM 1657 CD2 LEU A 99 -7.195 -2.442 -5.655 1.00 11.33 C ATOM 0 H LEU A 99 -3.398 -2.756 -8.572 1.00 4.21 H new ATOM 0 HA LEU A 99 -5.746 -3.924 -7.427 1.00 61.13 H new ATOM 0 HB2 LEU A 99 -4.451 -2.218 -6.300 1.00 5.13 H new ATOM 0 HB3 LEU A 99 -4.723 -1.085 -7.609 1.00 5.13 H new ATOM 0 HG LEU A 99 -6.008 -0.674 -5.518 1.00 65.20 H new ATOM 0 HD11 LEU A 99 -8.114 -0.096 -6.637 1.00 51.30 H new ATOM 0 HD12 LEU A 99 -6.687 0.353 -7.601 1.00 51.30 H new ATOM 0 HD13 LEU A 99 -7.635 -1.090 -8.033 1.00 51.30 H new ATOM 0 HD21 LEU A 99 -8.050 -2.015 -5.131 1.00 11.33 H new ATOM 0 HD22 LEU A 99 -7.547 -3.130 -6.423 1.00 11.33 H new ATOM 0 HD23 LEU A 99 -6.567 -2.981 -4.946 1.00 11.33 H new ATOM 1669 N TYR A 100 -6.119 -2.272 -10.190 1.00 53.40 N ATOM 1670 CA TYR A 100 -7.032 -2.014 -11.288 1.00 43.24 C ATOM 1671 C TYR A 100 -7.452 -3.326 -11.963 1.00 21.20 C ATOM 1672 O TYR A 100 -8.568 -3.436 -12.480 1.00 4.35 O ATOM 1673 CB TYR A 100 -6.347 -1.074 -12.299 1.00 34.50 C ATOM 1674 CG TYR A 100 -7.162 -0.696 -13.515 1.00 31.33 C ATOM 1675 CD1 TYR A 100 -8.118 0.304 -13.447 1.00 64.14 C ATOM 1676 CD2 TYR A 100 -6.961 -1.330 -14.736 1.00 25.24 C ATOM 1677 CE1 TYR A 100 -8.854 0.659 -14.557 1.00 13.15 C ATOM 1678 CE2 TYR A 100 -7.690 -0.977 -15.848 1.00 50.10 C ATOM 1679 CZ TYR A 100 -8.638 0.019 -15.754 1.00 33.43 C ATOM 1680 OH TYR A 100 -9.370 0.389 -16.869 1.00 51.44 O ATOM 0 H TYR A 100 -5.171 -1.932 -10.353 1.00 53.40 H new ATOM 0 HA TYR A 100 -7.934 -1.537 -10.905 1.00 43.24 H new ATOM 0 HB2 TYR A 100 -6.063 -0.159 -11.779 1.00 34.50 H new ATOM 0 HB3 TYR A 100 -5.425 -1.547 -12.638 1.00 34.50 H new ATOM 0 HD1 TYR A 100 -8.289 0.813 -12.510 1.00 64.14 H new ATOM 0 HD2 TYR A 100 -6.220 -2.112 -14.813 1.00 25.24 H new ATOM 0 HE1 TYR A 100 -9.599 1.438 -14.486 1.00 13.15 H new ATOM 0 HE2 TYR A 100 -7.520 -1.478 -16.790 1.00 50.10 H new ATOM 0 HH TYR A 100 -9.098 -0.158 -17.635 1.00 51.44 H new ATOM 1690 N LEU A 101 -6.560 -4.316 -11.933 1.00 24.24 N ATOM 1691 CA LEU A 101 -6.803 -5.603 -12.594 1.00 12.20 C ATOM 1692 C LEU A 101 -8.011 -6.334 -12.058 1.00 54.14 C ATOM 1693 O LEU A 101 -8.989 -6.540 -12.779 1.00 12.34 O ATOM 1694 CB LEU A 101 -5.633 -6.533 -12.354 1.00 34.03 C ATOM 1695 CG LEU A 101 -4.279 -6.142 -12.957 1.00 74.21 C ATOM 1696 CD1 LEU A 101 -3.243 -7.177 -12.611 1.00 31.32 C ATOM 1697 CD2 LEU A 101 -4.371 -6.018 -14.465 1.00 10.53 C ATOM 0 H LEU A 101 -5.660 -4.253 -11.457 1.00 24.24 H new ATOM 0 HA LEU A 101 -6.954 -5.362 -13.646 1.00 12.20 H new ATOM 0 HB2 LEU A 101 -5.503 -6.638 -11.277 1.00 34.03 H new ATOM 0 HB3 LEU A 101 -5.901 -7.516 -12.740 1.00 34.03 H new ATOM 0 HG LEU A 101 -3.992 -5.176 -12.540 1.00 74.21 H new ATOM 0 HD11 LEU A 101 -2.284 -6.891 -13.044 1.00 31.32 H new ATOM 0 HD12 LEU A 101 -3.146 -7.247 -11.528 1.00 31.32 H new ATOM 0 HD13 LEU A 101 -3.547 -8.144 -13.011 1.00 31.32 H new ATOM 0 HD21 LEU A 101 -3.397 -5.740 -14.867 1.00 10.53 H new ATOM 0 HD22 LEU A 101 -4.680 -6.973 -14.890 1.00 10.53 H new ATOM 0 HD23 LEU A 101 -5.102 -5.252 -14.723 1.00 10.53 H new ATOM 1709 N ASN A 102 -7.983 -6.659 -10.778 1.00 3.45 N ATOM 1710 CA ASN A 102 -9.021 -7.533 -10.216 1.00 61.34 C ATOM 1711 C ASN A 102 -8.808 -7.710 -8.718 1.00 22.04 C ATOM 1712 O ASN A 102 -9.554 -8.432 -8.074 1.00 33.05 O ATOM 1713 CB ASN A 102 -8.941 -8.914 -10.926 1.00 73.22 C ATOM 1714 CG ASN A 102 -10.164 -9.864 -10.759 1.00 21.33 C ATOM 1715 OD1 ASN A 102 -10.861 -9.873 -9.762 1.00 22.14 O ATOM 1716 ND2 ASN A 102 -10.429 -10.661 -11.770 1.00 72.54 N ATOM 0 H ASN A 102 -7.275 -6.345 -10.114 1.00 3.45 H new ATOM 0 HA ASN A 102 -10.002 -7.086 -10.373 1.00 61.34 H new ATOM 0 HB2 ASN A 102 -8.790 -8.740 -11.991 1.00 73.22 H new ATOM 0 HB3 ASN A 102 -8.056 -9.433 -10.559 1.00 73.22 H new ATOM 0 HD21 ASN A 102 -11.226 -11.296 -11.724 1.00 72.54 H new ATOM 0 HD22 ASN A 102 -9.838 -10.645 -12.601 1.00 72.54 H new ATOM 1723 N GLN A 103 -7.753 -7.075 -8.144 1.00 12.42 N ATOM 1724 CA GLN A 103 -7.601 -7.133 -6.685 1.00 51.11 C ATOM 1725 C GLN A 103 -8.862 -6.712 -6.039 1.00 73.05 C ATOM 1726 O GLN A 103 -9.471 -7.458 -5.258 1.00 13.11 O ATOM 1727 CB GLN A 103 -6.608 -6.139 -6.133 1.00 10.22 C ATOM 1728 CG GLN A 103 -5.168 -6.330 -6.376 1.00 51.54 C ATOM 1729 CD GLN A 103 -4.392 -5.336 -5.511 1.00 21.01 C ATOM 1730 OE1 GLN A 103 -4.843 -4.949 -4.441 1.00 14.54 O ATOM 1731 NE2 GLN A 103 -3.255 -4.939 -5.940 1.00 35.12 N ATOM 0 H GLN A 103 -7.037 -6.548 -8.644 1.00 12.42 H new ATOM 0 HA GLN A 103 -7.289 -8.158 -6.486 1.00 51.11 H new ATOM 0 HB2 GLN A 103 -6.877 -5.159 -6.526 1.00 10.22 H new ATOM 0 HB3 GLN A 103 -6.753 -6.100 -5.053 1.00 10.22 H new ATOM 0 HG2 GLN A 103 -4.876 -7.352 -6.133 1.00 51.54 H new ATOM 0 HG3 GLN A 103 -4.938 -6.174 -7.430 1.00 51.54 H new ATOM 0 HE21 GLN A 103 -2.901 -5.277 -6.835 1.00 35.12 H new ATOM 0 HE22 GLN A 103 -2.701 -4.285 -5.387 1.00 35.12 H new ATOM 1740 N GLU A 104 -9.272 -5.508 -6.432 1.00 35.52 N ATOM 1741 CA GLU A 104 -10.348 -4.727 -5.743 1.00 33.54 C ATOM 1742 C GLU A 104 -9.921 -4.394 -4.284 1.00 23.30 C ATOM 1743 O GLU A 104 -9.853 -3.237 -3.887 1.00 32.13 O ATOM 1744 CB GLU A 104 -11.671 -5.480 -5.728 1.00 42.33 C ATOM 1745 CG GLU A 104 -12.256 -5.747 -7.084 1.00 22.54 C ATOM 1746 CD GLU A 104 -13.467 -6.612 -6.985 1.00 13.02 C ATOM 1747 OE1 GLU A 104 -14.557 -6.102 -6.608 1.00 4.01 O ATOM 1748 OE2 GLU A 104 -13.344 -7.811 -7.236 1.00 41.31 O ATOM 0 H GLU A 104 -8.877 -5.027 -7.240 1.00 35.52 H new ATOM 0 HA GLU A 104 -10.491 -3.803 -6.304 1.00 33.54 H new ATOM 0 HB2 GLU A 104 -11.526 -6.431 -5.216 1.00 42.33 H new ATOM 0 HB3 GLU A 104 -12.392 -4.909 -5.142 1.00 42.33 H new ATOM 0 HG2 GLU A 104 -12.517 -4.803 -7.563 1.00 22.54 H new ATOM 0 HG3 GLU A 104 -11.511 -6.230 -7.716 1.00 22.54 H new ATOM 1755 N VAL A 105 -9.687 -5.443 -3.539 1.00 62.43 N ATOM 1756 CA VAL A 105 -9.159 -5.475 -2.200 1.00 44.21 C ATOM 1757 C VAL A 105 -9.037 -6.953 -1.776 1.00 73.53 C ATOM 1758 O VAL A 105 -10.014 -7.592 -1.371 1.00 24.10 O ATOM 1759 CB VAL A 105 -9.942 -4.621 -1.138 1.00 22.21 C ATOM 1760 CG1 VAL A 105 -11.433 -4.966 -1.089 1.00 51.44 C ATOM 1761 CG2 VAL A 105 -9.297 -4.833 0.228 1.00 2.34 C ATOM 0 H VAL A 105 -9.879 -6.383 -3.887 1.00 62.43 H new ATOM 0 HA VAL A 105 -8.184 -4.988 -2.225 1.00 44.21 H new ATOM 0 HB VAL A 105 -9.881 -3.572 -1.429 1.00 22.21 H new ATOM 0 HG11 VAL A 105 -11.925 -4.347 -0.339 1.00 51.44 H new ATOM 0 HG12 VAL A 105 -11.882 -4.780 -2.065 1.00 51.44 H new ATOM 0 HG13 VAL A 105 -11.555 -6.017 -0.828 1.00 51.44 H new ATOM 0 HG21 VAL A 105 -9.829 -4.246 0.977 1.00 2.34 H new ATOM 0 HG22 VAL A 105 -9.345 -5.889 0.493 1.00 2.34 H new ATOM 0 HG23 VAL A 105 -8.255 -4.515 0.192 1.00 2.34 H new ATOM 1771 N PRO A 106 -7.854 -7.542 -1.961 1.00 61.00 N ATOM 1772 CA PRO A 106 -7.618 -8.942 -1.667 1.00 61.23 C ATOM 1773 C PRO A 106 -7.414 -9.216 -0.189 1.00 60.13 C ATOM 1774 O PRO A 106 -6.875 -8.387 0.551 1.00 10.21 O ATOM 1775 CB PRO A 106 -6.345 -9.274 -2.451 1.00 72.12 C ATOM 1776 CG PRO A 106 -6.034 -8.050 -3.237 1.00 31.51 C ATOM 1777 CD PRO A 106 -6.654 -6.918 -2.488 1.00 61.15 C ATOM 0 HA PRO A 106 -8.478 -9.551 -1.945 1.00 61.23 H new ATOM 0 HB2 PRO A 106 -5.525 -9.528 -1.779 1.00 72.12 H new ATOM 0 HB3 PRO A 106 -6.499 -10.132 -3.105 1.00 72.12 H new ATOM 0 HG2 PRO A 106 -4.957 -7.911 -3.335 1.00 31.51 H new ATOM 0 HG3 PRO A 106 -6.439 -8.120 -4.246 1.00 31.51 H new ATOM 0 HD2 PRO A 106 -6.004 -6.545 -1.696 1.00 61.15 H new ATOM 0 HD3 PRO A 106 -6.882 -6.073 -3.137 1.00 61.15 H new ATOM 1785 N LYS A 107 -7.800 -10.406 0.211 1.00 12.30 N ATOM 1786 CA LYS A 107 -7.773 -10.855 1.592 1.00 34.11 C ATOM 1787 C LYS A 107 -6.336 -10.872 2.183 1.00 53.11 C ATOM 1788 O LYS A 107 -6.150 -10.696 3.398 1.00 24.15 O ATOM 1789 CB LYS A 107 -8.538 -12.214 1.676 1.00 0.33 C ATOM 1790 CG LYS A 107 -8.706 -12.857 3.056 1.00 2.24 C ATOM 1791 CD LYS A 107 -7.500 -13.669 3.475 1.00 10.52 C ATOM 1792 CE LYS A 107 -7.721 -14.310 4.828 1.00 71.34 C ATOM 1793 NZ LYS A 107 -6.643 -15.257 5.157 1.00 54.31 N ATOM 0 H LYS A 107 -8.153 -11.114 -0.433 1.00 12.30 H new ATOM 0 HA LYS A 107 -8.291 -10.143 2.235 1.00 34.11 H new ATOM 0 HB2 LYS A 107 -9.532 -12.065 1.253 1.00 0.33 H new ATOM 0 HB3 LYS A 107 -8.022 -12.929 1.035 1.00 0.33 H new ATOM 0 HG2 LYS A 107 -8.888 -12.077 3.795 1.00 2.24 H new ATOM 0 HG3 LYS A 107 -9.586 -13.500 3.048 1.00 2.24 H new ATOM 0 HD2 LYS A 107 -7.300 -14.441 2.731 1.00 10.52 H new ATOM 0 HD3 LYS A 107 -6.620 -13.027 3.512 1.00 10.52 H new ATOM 0 HE2 LYS A 107 -7.774 -13.537 5.594 1.00 71.34 H new ATOM 0 HE3 LYS A 107 -8.679 -14.830 4.834 1.00 71.34 H new ATOM 0 HZ1 LYS A 107 -6.513 -15.290 6.188 1.00 54.31 H new ATOM 0 HZ2 LYS A 107 -6.895 -16.204 4.809 1.00 54.31 H new ATOM 0 HZ3 LYS A 107 -5.759 -14.946 4.706 1.00 54.31 H new ATOM 1807 N GLU A 108 -5.328 -11.019 1.326 1.00 20.53 N ATOM 1808 CA GLU A 108 -3.934 -10.982 1.787 1.00 43.33 C ATOM 1809 C GLU A 108 -3.555 -9.550 2.189 1.00 72.22 C ATOM 1810 O GLU A 108 -2.795 -9.342 3.121 1.00 20.12 O ATOM 1811 CB GLU A 108 -2.958 -11.503 0.728 1.00 71.24 C ATOM 1812 CG GLU A 108 -1.488 -11.505 1.185 1.00 12.50 C ATOM 1813 CD GLU A 108 -1.164 -12.522 2.289 1.00 51.50 C ATOM 1814 OE1 GLU A 108 -1.294 -12.211 3.483 1.00 32.32 O ATOM 1815 OE2 GLU A 108 -0.744 -13.652 1.962 1.00 2.33 O ATOM 0 H GLU A 108 -5.442 -11.163 0.323 1.00 20.53 H new ATOM 0 HA GLU A 108 -3.859 -11.642 2.651 1.00 43.33 H new ATOM 0 HB2 GLU A 108 -3.244 -12.518 0.452 1.00 71.24 H new ATOM 0 HB3 GLU A 108 -3.049 -10.891 -0.169 1.00 71.24 H new ATOM 0 HG2 GLU A 108 -0.853 -11.710 0.323 1.00 12.50 H new ATOM 0 HG3 GLU A 108 -1.230 -10.507 1.541 1.00 12.50 H new ATOM 1822 N LEU A 109 -4.115 -8.554 1.492 1.00 54.14 N ATOM 1823 CA LEU A 109 -3.883 -7.169 1.850 1.00 73.43 C ATOM 1824 C LEU A 109 -4.451 -6.901 3.216 1.00 14.42 C ATOM 1825 O LEU A 109 -3.880 -6.147 3.990 1.00 12.44 O ATOM 1826 CB LEU A 109 -4.434 -6.188 0.792 1.00 65.40 C ATOM 1827 CG LEU A 109 -3.585 -5.971 -0.493 1.00 40.31 C ATOM 1828 CD1 LEU A 109 -2.288 -5.266 -0.156 1.00 64.02 C ATOM 1829 CD2 LEU A 109 -3.278 -7.282 -1.200 1.00 34.23 C ATOM 0 H LEU A 109 -4.725 -8.689 0.686 1.00 54.14 H new ATOM 0 HA LEU A 109 -2.807 -6.998 1.878 1.00 73.43 H new ATOM 0 HB2 LEU A 109 -5.421 -6.539 0.489 1.00 65.40 H new ATOM 0 HB3 LEU A 109 -4.574 -5.219 1.271 1.00 65.40 H new ATOM 0 HG LEU A 109 -4.177 -5.352 -1.167 1.00 40.31 H new ATOM 0 HD11 LEU A 109 -1.705 -5.122 -1.066 1.00 64.02 H new ATOM 0 HD12 LEU A 109 -2.507 -4.297 0.293 1.00 64.02 H new ATOM 0 HD13 LEU A 109 -1.717 -5.871 0.548 1.00 64.02 H new ATOM 0 HD21 LEU A 109 -2.683 -7.084 -2.092 1.00 34.23 H new ATOM 0 HD22 LEU A 109 -2.720 -7.935 -0.529 1.00 34.23 H new ATOM 0 HD23 LEU A 109 -4.211 -7.768 -1.486 1.00 34.23 H new ATOM 1841 N LEU A 110 -5.553 -7.569 3.531 1.00 71.14 N ATOM 1842 CA LEU A 110 -6.126 -7.490 4.862 1.00 72.03 C ATOM 1843 C LEU A 110 -5.139 -8.023 5.895 1.00 62.34 C ATOM 1844 O LEU A 110 -5.003 -7.468 6.976 1.00 72.32 O ATOM 1845 CB LEU A 110 -7.502 -8.208 4.991 1.00 42.20 C ATOM 1846 CG LEU A 110 -8.763 -7.548 4.359 1.00 51.42 C ATOM 1847 CD1 LEU A 110 -8.624 -7.317 2.876 1.00 2.42 C ATOM 1848 CD2 LEU A 110 -9.991 -8.400 4.640 1.00 64.12 C ATOM 0 H LEU A 110 -6.064 -8.169 2.883 1.00 71.14 H new ATOM 0 HA LEU A 110 -6.319 -6.435 5.053 1.00 72.03 H new ATOM 0 HB2 LEU A 110 -7.397 -9.201 4.554 1.00 42.20 H new ATOM 0 HB3 LEU A 110 -7.702 -8.347 6.053 1.00 42.20 H new ATOM 0 HG LEU A 110 -8.874 -6.568 4.823 1.00 51.42 H new ATOM 0 HD11 LEU A 110 -9.534 -6.855 2.493 1.00 2.42 H new ATOM 0 HD12 LEU A 110 -7.776 -6.659 2.688 1.00 2.42 H new ATOM 0 HD13 LEU A 110 -8.462 -8.270 2.373 1.00 2.42 H new ATOM 0 HD21 LEU A 110 -10.869 -7.931 4.195 1.00 64.12 H new ATOM 0 HD22 LEU A 110 -9.852 -9.392 4.210 1.00 64.12 H new ATOM 0 HD23 LEU A 110 -10.134 -8.488 5.717 1.00 64.12 H new ATOM 1860 N GLU A 111 -4.438 -9.074 5.536 1.00 75.54 N ATOM 1861 CA GLU A 111 -3.452 -9.668 6.418 1.00 21.30 C ATOM 1862 C GLU A 111 -2.141 -8.861 6.480 1.00 71.02 C ATOM 1863 O GLU A 111 -1.391 -8.975 7.447 1.00 31.51 O ATOM 1864 CB GLU A 111 -3.180 -11.110 6.027 1.00 32.53 C ATOM 1865 CG GLU A 111 -4.395 -12.000 6.118 1.00 22.22 C ATOM 1866 CD GLU A 111 -4.088 -13.425 5.780 1.00 45.32 C ATOM 1867 OE1 GLU A 111 -3.557 -14.143 6.635 1.00 41.22 O ATOM 1868 OE2 GLU A 111 -4.396 -13.871 4.672 1.00 44.15 O ATOM 0 H GLU A 111 -4.531 -9.540 4.633 1.00 75.54 H new ATOM 0 HA GLU A 111 -3.878 -9.648 7.421 1.00 21.30 H new ATOM 0 HB2 GLU A 111 -2.797 -11.135 5.007 1.00 32.53 H new ATOM 0 HB3 GLU A 111 -2.397 -11.511 6.671 1.00 32.53 H new ATOM 0 HG2 GLU A 111 -4.804 -11.949 7.127 1.00 22.22 H new ATOM 0 HG3 GLU A 111 -5.166 -11.628 5.443 1.00 22.22 H new ATOM 1875 N PHE A 112 -1.864 -8.057 5.460 1.00 52.01 N ATOM 1876 CA PHE A 112 -0.635 -7.246 5.439 1.00 31.12 C ATOM 1877 C PHE A 112 -0.815 -5.905 6.061 1.00 21.24 C ATOM 1878 O PHE A 112 -0.065 -5.506 6.941 1.00 41.31 O ATOM 1879 CB PHE A 112 -0.093 -7.056 4.024 1.00 63.51 C ATOM 1880 CG PHE A 112 0.921 -8.057 3.618 1.00 30.43 C ATOM 1881 CD1 PHE A 112 0.558 -9.271 3.111 1.00 40.14 C ATOM 1882 CD2 PHE A 112 2.257 -7.762 3.755 1.00 73.42 C ATOM 1883 CE1 PHE A 112 1.514 -10.193 2.736 1.00 31.44 C ATOM 1884 CE2 PHE A 112 3.230 -8.669 3.387 1.00 65.31 C ATOM 1885 CZ PHE A 112 2.856 -9.893 2.874 1.00 4.11 C ATOM 0 H PHE A 112 -2.462 -7.944 4.641 1.00 52.01 H new ATOM 0 HA PHE A 112 0.083 -7.813 6.031 1.00 31.12 H new ATOM 0 HB2 PHE A 112 -0.925 -7.094 3.321 1.00 63.51 H new ATOM 0 HB3 PHE A 112 0.345 -6.061 3.946 1.00 63.51 H new ATOM 0 HD1 PHE A 112 -0.489 -9.513 3.002 1.00 40.14 H new ATOM 0 HD2 PHE A 112 2.550 -6.804 4.158 1.00 73.42 H new ATOM 0 HE1 PHE A 112 1.213 -11.149 2.335 1.00 31.44 H new ATOM 0 HE2 PHE A 112 4.275 -8.422 3.500 1.00 65.31 H new ATOM 0 HZ PHE A 112 3.607 -10.612 2.582 1.00 4.11 H new ATOM 1895 N LEU A 113 -1.815 -5.223 5.614 1.00 41.40 N ATOM 1896 CA LEU A 113 -2.058 -3.862 6.004 1.00 71.41 C ATOM 1897 C LEU A 113 -2.768 -3.828 7.346 1.00 23.04 C ATOM 1898 O LEU A 113 -2.956 -2.759 7.938 1.00 51.34 O ATOM 1899 CB LEU A 113 -2.970 -3.247 4.978 1.00 35.35 C ATOM 1900 CG LEU A 113 -2.579 -3.381 3.505 1.00 42.51 C ATOM 1901 CD1 LEU A 113 -3.701 -2.862 2.647 1.00 34.35 C ATOM 1902 CD2 LEU A 113 -1.291 -2.651 3.197 1.00 52.43 C ATOM 0 H LEU A 113 -2.501 -5.595 4.957 1.00 41.40 H new ATOM 0 HA LEU A 113 -1.113 -3.323 6.077 1.00 71.41 H new ATOM 0 HB2 LEU A 113 -3.960 -3.686 5.103 1.00 35.35 H new ATOM 0 HB3 LEU A 113 -3.062 -2.185 5.205 1.00 35.35 H new ATOM 0 HG LEU A 113 -2.407 -4.435 3.287 1.00 42.51 H new ATOM 0 HD11 LEU A 113 -3.428 -2.955 1.596 1.00 34.35 H new ATOM 0 HD12 LEU A 113 -4.604 -3.441 2.840 1.00 34.35 H new ATOM 0 HD13 LEU A 113 -3.885 -1.814 2.883 1.00 34.35 H new ATOM 0 HD21 LEU A 113 -1.048 -2.771 2.141 1.00 52.43 H new ATOM 0 HD22 LEU A 113 -1.410 -1.592 3.424 1.00 52.43 H new ATOM 0 HD23 LEU A 113 -0.485 -3.064 3.804 1.00 52.43 H new ATOM 1914 N ARG A 114 -3.161 -5.015 7.802 1.00 50.45 N ATOM 1915 CA ARG A 114 -3.936 -5.197 9.007 1.00 13.33 C ATOM 1916 C ARG A 114 -5.299 -4.536 8.820 1.00 5.13 C ATOM 1917 O ARG A 114 -5.639 -3.529 9.461 1.00 70.34 O ATOM 1918 CB ARG A 114 -3.214 -4.701 10.272 1.00 41.20 C ATOM 1919 CG ARG A 114 -3.951 -5.000 11.568 1.00 44.15 C ATOM 1920 CD ARG A 114 -3.256 -4.374 12.753 1.00 1.42 C ATOM 1921 NE ARG A 114 -1.879 -4.851 12.927 1.00 73.50 N ATOM 1922 CZ ARG A 114 -0.941 -4.205 13.625 1.00 33.23 C ATOM 1923 NH1 ARG A 114 -1.194 -2.995 14.122 1.00 60.32 N ATOM 1924 NH2 ARG A 114 0.254 -4.746 13.789 1.00 41.50 N ATOM 0 H ARG A 114 -2.940 -5.890 7.327 1.00 50.45 H new ATOM 0 HA ARG A 114 -4.073 -6.266 9.170 1.00 13.33 H new ATOM 0 HB2 ARG A 114 -2.226 -5.158 10.315 1.00 41.20 H new ATOM 0 HB3 ARG A 114 -3.064 -3.624 10.193 1.00 41.20 H new ATOM 0 HG2 ARG A 114 -4.972 -4.624 11.503 1.00 44.15 H new ATOM 0 HG3 ARG A 114 -4.017 -6.079 11.711 1.00 44.15 H new ATOM 0 HD2 ARG A 114 -3.247 -3.291 12.632 1.00 1.42 H new ATOM 0 HD3 ARG A 114 -3.826 -4.589 13.657 1.00 1.42 H new ATOM 0 HE ARG A 114 -1.621 -5.734 12.486 1.00 73.50 H new ATOM 0 HH11 ARG A 114 -2.105 -2.561 13.970 1.00 60.32 H new ATOM 0 HH12 ARG A 114 -0.477 -2.502 14.655 1.00 60.32 H new ATOM 0 HH21 ARG A 114 0.461 -5.658 13.382 1.00 41.50 H new ATOM 0 HH22 ARG A 114 0.969 -4.251 14.322 1.00 41.50 H new ATOM 1938 N LEU A 115 -6.024 -5.043 7.857 1.00 70.14 N ATOM 1939 CA LEU A 115 -7.319 -4.523 7.534 1.00 14.23 C ATOM 1940 C LEU A 115 -8.358 -5.406 8.169 1.00 53.53 C ATOM 1941 O LEU A 115 -8.166 -6.635 8.267 1.00 1.21 O ATOM 1942 CB LEU A 115 -7.576 -4.528 6.010 1.00 24.34 C ATOM 1943 CG LEU A 115 -6.559 -3.892 5.092 1.00 3.14 C ATOM 1944 CD1 LEU A 115 -7.023 -3.983 3.639 1.00 42.04 C ATOM 1945 CD2 LEU A 115 -6.244 -2.480 5.489 1.00 25.24 C ATOM 0 H LEU A 115 -5.729 -5.828 7.277 1.00 70.14 H new ATOM 0 HA LEU A 115 -7.370 -3.497 7.898 1.00 14.23 H new ATOM 0 HB2 LEU A 115 -7.695 -5.566 5.700 1.00 24.34 H new ATOM 0 HB3 LEU A 115 -8.531 -4.032 5.836 1.00 24.34 H new ATOM 0 HG LEU A 115 -5.628 -4.451 5.187 1.00 3.14 H new ATOM 0 HD11 LEU A 115 -6.279 -3.520 2.990 1.00 42.04 H new ATOM 0 HD12 LEU A 115 -7.146 -5.030 3.361 1.00 42.04 H new ATOM 0 HD13 LEU A 115 -7.975 -3.464 3.528 1.00 42.04 H new ATOM 0 HD21 LEU A 115 -5.508 -2.064 4.801 1.00 25.24 H new ATOM 0 HD22 LEU A 115 -7.154 -1.881 5.454 1.00 25.24 H new ATOM 0 HD23 LEU A 115 -5.841 -2.468 6.502 1.00 25.24 H new ATOM 1957 N ARG A 116 -9.430 -4.815 8.612 1.00 5.31 N ATOM 1958 CA ARG A 116 -10.545 -5.585 9.103 1.00 22.42 C ATOM 1959 C ARG A 116 -11.349 -6.041 7.894 1.00 75.22 C ATOM 1960 O ARG A 116 -11.142 -5.527 6.792 1.00 74.14 O ATOM 1961 CB ARG A 116 -11.422 -4.753 10.048 1.00 14.31 C ATOM 1962 CG ARG A 116 -12.072 -3.531 9.407 1.00 61.51 C ATOM 1963 CD ARG A 116 -12.939 -2.790 10.406 1.00 4.31 C ATOM 1964 NE ARG A 116 -13.988 -3.658 10.961 1.00 13.22 N ATOM 1965 CZ ARG A 116 -14.650 -3.438 12.097 1.00 0.00 C ATOM 1966 NH1 ARG A 116 -14.401 -2.351 12.826 1.00 23.44 N ATOM 1967 NH2 ARG A 116 -15.562 -4.309 12.506 1.00 31.55 N ATOM 0 H ARG A 116 -9.559 -3.804 8.645 1.00 5.31 H new ATOM 0 HA ARG A 116 -10.186 -6.441 9.675 1.00 22.42 H new ATOM 0 HB2 ARG A 116 -12.206 -5.394 10.452 1.00 14.31 H new ATOM 0 HB3 ARG A 116 -10.813 -4.424 10.890 1.00 14.31 H new ATOM 0 HG2 ARG A 116 -11.300 -2.863 9.024 1.00 61.51 H new ATOM 0 HG3 ARG A 116 -12.677 -3.841 8.555 1.00 61.51 H new ATOM 0 HD2 ARG A 116 -12.317 -2.407 11.215 1.00 4.31 H new ATOM 0 HD3 ARG A 116 -13.398 -1.928 9.922 1.00 4.31 H new ATOM 0 HE ARG A 116 -14.229 -4.497 10.434 1.00 13.22 H new ATOM 0 HH11 ARG A 116 -13.699 -1.679 12.516 1.00 23.44 H new ATOM 0 HH12 ARG A 116 -14.912 -2.191 13.694 1.00 23.44 H new ATOM 0 HH21 ARG A 116 -15.755 -5.144 11.952 1.00 31.55 H new ATOM 0 HH22 ARG A 116 -16.071 -4.145 13.375 1.00 31.55 H new ATOM 1981 N HIS A 117 -12.244 -6.978 8.061 1.00 20.05 N ATOM 1982 CA HIS A 117 -12.999 -7.424 6.920 1.00 4.20 C ATOM 1983 C HIS A 117 -14.118 -6.457 6.582 1.00 25.44 C ATOM 1984 O HIS A 117 -15.190 -6.456 7.205 1.00 2.33 O ATOM 1985 CB HIS A 117 -13.515 -8.866 7.060 1.00 71.12 C ATOM 1986 CG HIS A 117 -14.253 -9.353 5.834 1.00 15.05 C ATOM 1987 ND1 HIS A 117 -15.563 -9.763 5.850 1.00 24.05 N ATOM 1988 CD2 HIS A 117 -13.840 -9.491 4.549 1.00 62.20 C ATOM 1989 CE1 HIS A 117 -15.924 -10.129 4.638 1.00 30.32 C ATOM 1990 NE2 HIS A 117 -14.897 -9.971 3.829 1.00 22.44 N ATOM 0 H HIS A 117 -12.464 -7.435 8.946 1.00 20.05 H new ATOM 0 HA HIS A 117 -12.303 -7.436 6.081 1.00 4.20 H new ATOM 0 HB2 HIS A 117 -12.673 -9.529 7.257 1.00 71.12 H new ATOM 0 HB3 HIS A 117 -14.177 -8.926 7.923 1.00 71.12 H new ATOM 0 HD1 HIS A 117 -16.164 -9.781 6.674 1.00 24.05 H new ATOM 0 HD2 HIS A 117 -12.856 -9.263 4.166 1.00 62.20 H new ATOM 0 HE1 HIS A 117 -16.899 -10.497 4.355 1.00 30.32 H new ATOM 1999 N PHE A 118 -13.838 -5.614 5.628 1.00 40.41 N ATOM 2000 CA PHE A 118 -14.799 -4.684 5.102 1.00 70.23 C ATOM 2001 C PHE A 118 -15.784 -5.460 4.209 1.00 22.03 C ATOM 2002 O PHE A 118 -15.515 -6.627 3.869 1.00 63.22 O ATOM 2003 CB PHE A 118 -14.071 -3.591 4.291 1.00 62.21 C ATOM 2004 CG PHE A 118 -13.074 -2.785 5.090 1.00 11.33 C ATOM 2005 CD1 PHE A 118 -13.504 -1.808 5.968 1.00 41.02 C ATOM 2006 CD2 PHE A 118 -11.710 -2.997 4.946 1.00 74.11 C ATOM 2007 CE1 PHE A 118 -12.596 -1.054 6.690 1.00 61.43 C ATOM 2008 CE2 PHE A 118 -10.799 -2.250 5.667 1.00 4.01 C ATOM 2009 CZ PHE A 118 -11.243 -1.276 6.539 1.00 50.34 C ATOM 0 H PHE A 118 -12.921 -5.552 5.186 1.00 40.41 H new ATOM 0 HA PHE A 118 -15.346 -4.199 5.911 1.00 70.23 H new ATOM 0 HB2 PHE A 118 -13.554 -4.060 3.454 1.00 62.21 H new ATOM 0 HB3 PHE A 118 -14.813 -2.914 3.868 1.00 62.21 H new ATOM 0 HD1 PHE A 118 -14.562 -1.631 6.092 1.00 41.02 H new ATOM 0 HD2 PHE A 118 -11.357 -3.755 4.262 1.00 74.11 H new ATOM 0 HE1 PHE A 118 -12.946 -0.292 7.371 1.00 61.43 H new ATOM 0 HE2 PHE A 118 -9.740 -2.428 5.549 1.00 4.01 H new ATOM 0 HZ PHE A 118 -10.532 -0.689 7.102 1.00 50.34 H new ATOM 2019 N PRO A 119 -16.940 -4.865 3.842 1.00 25.14 N ATOM 2020 CA PRO A 119 -17.910 -5.528 2.979 1.00 42.22 C ATOM 2021 C PRO A 119 -17.338 -5.779 1.589 1.00 22.21 C ATOM 2022 O PRO A 119 -17.202 -4.853 0.781 1.00 33.12 O ATOM 2023 CB PRO A 119 -19.089 -4.549 2.895 1.00 61.11 C ATOM 2024 CG PRO A 119 -18.873 -3.572 3.996 1.00 54.41 C ATOM 2025 CD PRO A 119 -17.393 -3.518 4.233 1.00 35.31 C ATOM 0 HA PRO A 119 -18.196 -6.503 3.373 1.00 42.22 H new ATOM 0 HB2 PRO A 119 -19.116 -4.049 1.927 1.00 61.11 H new ATOM 0 HB3 PRO A 119 -20.040 -5.069 3.012 1.00 61.11 H new ATOM 0 HG2 PRO A 119 -19.258 -2.589 3.724 1.00 54.41 H new ATOM 0 HG3 PRO A 119 -19.399 -3.882 4.899 1.00 54.41 H new ATOM 0 HD2 PRO A 119 -16.917 -2.743 3.632 1.00 35.31 H new ATOM 0 HD3 PRO A 119 -17.160 -3.302 5.276 1.00 35.31 H new ATOM 2033 N THR A 120 -16.952 -6.995 1.348 1.00 42.23 N ATOM 2034 CA THR A 120 -16.415 -7.391 0.085 1.00 62.14 C ATOM 2035 C THR A 120 -17.439 -8.234 -0.648 1.00 24.14 C ATOM 2036 O THR A 120 -17.726 -9.367 -0.236 1.00 72.41 O ATOM 2037 CB THR A 120 -15.099 -8.183 0.284 1.00 74.42 C ATOM 2038 OG1 THR A 120 -15.318 -9.252 1.231 1.00 41.32 O ATOM 2039 CG2 THR A 120 -13.983 -7.276 0.792 1.00 13.12 C ATOM 0 H THR A 120 -17.002 -7.749 2.033 1.00 42.23 H new ATOM 0 HA THR A 120 -16.189 -6.505 -0.508 1.00 62.14 H new ATOM 0 HB THR A 120 -14.797 -8.593 -0.680 1.00 74.42 H new ATOM 0 HG1 THR A 120 -14.947 -8.998 2.102 1.00 41.32 H new ATOM 0 HG21 THR A 120 -13.071 -7.859 0.923 1.00 13.12 H new ATOM 0 HG22 THR A 120 -13.804 -6.480 0.070 1.00 13.12 H new ATOM 0 HG23 THR A 120 -14.275 -6.840 1.748 1.00 13.12 H new ATOM 2047 N ASP A 121 -18.013 -7.676 -1.690 1.00 4.44 N ATOM 2048 CA ASP A 121 -19.038 -8.363 -2.448 1.00 73.15 C ATOM 2049 C ASP A 121 -18.479 -9.473 -3.296 1.00 3.54 C ATOM 2050 O ASP A 121 -17.595 -9.237 -4.144 1.00 2.15 O ATOM 2051 CB ASP A 121 -19.850 -7.409 -3.324 1.00 22.11 C ATOM 2052 CG ASP A 121 -20.699 -6.461 -2.534 1.00 15.42 C ATOM 2053 OD1 ASP A 121 -21.766 -6.871 -2.063 1.00 45.40 O ATOM 2054 OD2 ASP A 121 -20.322 -5.295 -2.389 1.00 44.41 O ATOM 0 H ASP A 121 -17.787 -6.743 -2.034 1.00 4.44 H new ATOM 0 HA ASP A 121 -19.703 -8.801 -1.704 1.00 73.15 H new ATOM 0 HB2 ASP A 121 -19.170 -6.838 -3.955 1.00 22.11 H new ATOM 0 HB3 ASP A 121 -20.489 -7.991 -3.989 1.00 22.11 H new ATOM 2059 N PRO A 122 -18.937 -10.711 -3.053 1.00 54.51 N ATOM 2060 CA PRO A 122 -18.597 -11.842 -3.888 1.00 70.15 C ATOM 2061 C PRO A 122 -19.227 -11.687 -5.264 1.00 33.02 C ATOM 2062 O PRO A 122 -20.464 -11.625 -5.399 1.00 73.02 O ATOM 2063 CB PRO A 122 -19.217 -13.052 -3.167 1.00 41.22 C ATOM 2064 CG PRO A 122 -19.555 -12.569 -1.803 1.00 34.51 C ATOM 2065 CD PRO A 122 -19.792 -11.098 -1.924 1.00 4.41 C ATOM 0 HA PRO A 122 -17.521 -11.942 -4.032 1.00 70.15 H new ATOM 0 HB2 PRO A 122 -20.105 -13.407 -3.689 1.00 41.22 H new ATOM 0 HB3 PRO A 122 -18.516 -13.886 -3.126 1.00 41.22 H new ATOM 0 HG2 PRO A 122 -20.441 -13.075 -1.420 1.00 34.51 H new ATOM 0 HG3 PRO A 122 -18.743 -12.776 -1.105 1.00 34.51 H new ATOM 0 HD2 PRO A 122 -20.841 -10.874 -2.118 1.00 4.41 H new ATOM 0 HD3 PRO A 122 -19.517 -10.570 -1.011 1.00 4.41 H new ATOM 2073 N LYS A 123 -18.392 -11.608 -6.267 1.00 4.41 N ATOM 2074 CA LYS A 123 -18.841 -11.455 -7.634 1.00 15.42 C ATOM 2075 C LYS A 123 -19.387 -12.770 -8.131 1.00 12.33 C ATOM 2076 O LYS A 123 -20.256 -12.816 -8.998 1.00 0.33 O ATOM 2077 CB LYS A 123 -17.694 -10.965 -8.493 1.00 72.13 C ATOM 2078 CG LYS A 123 -17.183 -9.602 -8.056 1.00 14.22 C ATOM 2079 CD LYS A 123 -15.940 -9.179 -8.808 1.00 14.32 C ATOM 2080 CE LYS A 123 -14.787 -10.135 -8.550 1.00 3.22 C ATOM 2081 NZ LYS A 123 -13.538 -9.639 -9.138 1.00 34.51 N ATOM 0 H LYS A 123 -17.378 -11.648 -6.163 1.00 4.41 H new ATOM 0 HA LYS A 123 -19.639 -10.715 -7.688 1.00 15.42 H new ATOM 0 HB2 LYS A 123 -16.878 -11.686 -8.451 1.00 72.13 H new ATOM 0 HB3 LYS A 123 -18.019 -10.912 -9.532 1.00 72.13 H new ATOM 0 HG2 LYS A 123 -17.966 -8.859 -8.208 1.00 14.22 H new ATOM 0 HG3 LYS A 123 -16.967 -9.624 -6.988 1.00 14.22 H new ATOM 0 HD2 LYS A 123 -16.153 -9.143 -9.876 1.00 14.32 H new ATOM 0 HD3 LYS A 123 -15.655 -8.171 -8.506 1.00 14.32 H new ATOM 0 HE2 LYS A 123 -14.657 -10.269 -7.476 1.00 3.22 H new ATOM 0 HE3 LYS A 123 -15.024 -11.114 -8.967 1.00 3.22 H new ATOM 0 HZ1 LYS A 123 -12.852 -10.418 -9.203 1.00 34.51 H new ATOM 0 HZ2 LYS A 123 -13.727 -9.264 -10.089 1.00 34.51 H new ATOM 0 HZ3 LYS A 123 -13.149 -8.883 -8.539 1.00 34.51 H new ATOM 2095 N ALA A 124 -18.878 -13.827 -7.575 1.00 51.23 N ATOM 2096 CA ALA A 124 -19.387 -15.128 -7.837 1.00 14.33 C ATOM 2097 C ALA A 124 -20.275 -15.516 -6.675 1.00 51.43 C ATOM 2098 O ALA A 124 -19.787 -15.843 -5.590 1.00 32.30 O ATOM 2099 CB ALA A 124 -18.259 -16.126 -8.023 1.00 70.44 C ATOM 0 H ALA A 124 -18.093 -13.805 -6.924 1.00 51.23 H new ATOM 0 HA ALA A 124 -19.961 -15.129 -8.763 1.00 14.33 H new ATOM 0 HB1 ALA A 124 -18.676 -17.113 -8.222 1.00 70.44 H new ATOM 0 HB2 ALA A 124 -17.636 -15.819 -8.863 1.00 70.44 H new ATOM 0 HB3 ALA A 124 -17.654 -16.164 -7.117 1.00 70.44 H new ATOM 2105 N SER A 125 -21.560 -15.409 -6.872 1.00 60.35 N ATOM 2106 CA SER A 125 -22.506 -15.730 -5.844 1.00 3.15 C ATOM 2107 C SER A 125 -22.590 -17.238 -5.680 1.00 34.12 C ATOM 2108 O SER A 125 -23.080 -17.956 -6.571 1.00 15.05 O ATOM 2109 CB SER A 125 -23.861 -15.118 -6.183 1.00 14.23 C ATOM 2110 OG SER A 125 -23.715 -13.707 -6.370 1.00 41.41 O ATOM 0 H SER A 125 -21.979 -15.097 -7.748 1.00 60.35 H new ATOM 0 HA SER A 125 -22.181 -15.310 -4.892 1.00 3.15 H new ATOM 0 HB2 SER A 125 -24.262 -15.576 -7.087 1.00 14.23 H new ATOM 0 HB3 SER A 125 -24.573 -15.318 -5.382 1.00 14.23 H new ATOM 0 HG SER A 125 -23.852 -13.248 -5.515 1.00 41.41 H new ATOM 2116 N ASN A 126 -22.073 -17.721 -4.580 1.00 75.11 N ATOM 2117 CA ASN A 126 -22.025 -19.133 -4.337 1.00 11.45 C ATOM 2118 C ASN A 126 -23.012 -19.527 -3.262 1.00 12.24 C ATOM 2119 O ASN A 126 -22.710 -19.465 -2.066 1.00 1.24 O ATOM 2120 CB ASN A 126 -20.600 -19.585 -3.966 1.00 21.01 C ATOM 2121 CG ASN A 126 -20.464 -21.094 -3.810 1.00 34.14 C ATOM 2122 OD1 ASN A 126 -20.652 -21.647 -2.729 1.00 13.33 O ATOM 2123 ND2 ASN A 126 -20.113 -21.763 -4.873 1.00 43.11 N ATOM 0 H ASN A 126 -21.677 -17.149 -3.834 1.00 75.11 H new ATOM 0 HA ASN A 126 -22.306 -19.641 -5.259 1.00 11.45 H new ATOM 0 HB2 ASN A 126 -19.907 -19.243 -4.735 1.00 21.01 H new ATOM 0 HB3 ASN A 126 -20.305 -19.103 -3.034 1.00 21.01 H new ATOM 0 HD21 ASN A 126 -19.987 -22.774 -4.821 1.00 43.11 H new ATOM 0 HD22 ASN A 126 -19.964 -21.275 -5.756 1.00 43.11 H new ATOM 2130 N TRP A 127 -24.209 -19.837 -3.693 1.00 11.11 N ATOM 2131 CA TRP A 127 -25.263 -20.336 -2.837 1.00 43.32 C ATOM 2132 C TRP A 127 -25.980 -21.449 -3.552 1.00 21.41 C ATOM 2133 O TRP A 127 -26.984 -21.232 -4.239 1.00 45.01 O ATOM 2134 CB TRP A 127 -26.261 -19.246 -2.388 1.00 14.05 C ATOM 2135 CG TRP A 127 -25.670 -18.197 -1.496 1.00 31.13 C ATOM 2136 CD1 TRP A 127 -25.226 -16.965 -1.862 1.00 12.45 C ATOM 2137 CD2 TRP A 127 -25.450 -18.300 -0.083 1.00 74.23 C ATOM 2138 NE1 TRP A 127 -24.749 -16.294 -0.763 1.00 53.25 N ATOM 2139 CE2 TRP A 127 -24.875 -17.089 0.338 1.00 72.12 C ATOM 2140 CE3 TRP A 127 -25.690 -19.297 0.866 1.00 54.43 C ATOM 2141 CZ2 TRP A 127 -24.531 -16.848 1.665 1.00 31.32 C ATOM 2142 CZ3 TRP A 127 -25.349 -19.057 2.183 1.00 2.21 C ATOM 2143 CH2 TRP A 127 -24.776 -17.841 2.573 1.00 62.35 C ATOM 0 H TRP A 127 -24.487 -19.748 -4.670 1.00 11.11 H new ATOM 0 HA TRP A 127 -24.798 -20.703 -1.922 1.00 43.32 H new ATOM 0 HB2 TRP A 127 -26.675 -18.762 -3.273 1.00 14.05 H new ATOM 0 HB3 TRP A 127 -27.092 -19.723 -1.867 1.00 14.05 H new ATOM 0 HD1 TRP A 127 -25.246 -16.572 -2.868 1.00 12.45 H new ATOM 0 HE1 TRP A 127 -24.362 -15.350 -0.769 1.00 53.25 H new ATOM 0 HE3 TRP A 127 -26.134 -20.238 0.575 1.00 54.43 H new ATOM 0 HZ2 TRP A 127 -24.087 -15.911 1.967 1.00 31.32 H new ATOM 0 HZ3 TRP A 127 -25.528 -19.821 2.925 1.00 2.21 H new ATOM 0 HH2 TRP A 127 -24.522 -17.684 3.611 1.00 62.35 H new ATOM 2154 N GLY A 128 -25.418 -22.609 -3.455 1.00 3.51 N ATOM 2155 CA GLY A 128 -25.944 -23.752 -4.111 1.00 31.42 C ATOM 2156 C GLY A 128 -24.818 -24.613 -4.592 1.00 43.50 C ATOM 2157 O GLY A 128 -23.729 -24.060 -4.880 1.00 37.47 O ATOM 2158 OXT GLY A 128 -24.983 -25.837 -4.674 1.00 37.47 O ATOM 0 H GLY A 128 -24.573 -22.788 -2.912 1.00 3.51 H new ATOM 0 HA2 GLY A 128 -26.581 -24.315 -3.429 1.00 31.42 H new ATOM 0 HA3 GLY A 128 -26.568 -23.447 -4.951 1.00 31.42 H new TER 2162 GLY A 128